SubTask,Instruction,molecule
AtomNum,"Please generate a molecule composed of 12 carbon atoms, and 3 nitrogen atoms.",[NH3+]C1CC([NH+]2CCN(CC3CC3)CC2)C1
BondNum,"Please generate a molecule with 8 single bonds, 4 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amine group.",CC(CNC(=O)OC(C)(C)C)NOCc1ccccc1
AddComponent,Add a hydroxyl to the molecule N#CC(=NNc1ccccc1)c1nc(-c2ccc3ccccc3c2)c(N=Nc2ccccc2)s1.,N#CC(=NNc1cccc(O)c1)c1nc(-c2ccc3ccccc3c2)c(N=Nc2ccccc2)s1
SubComponent,Please substitute a nitrile in the molecule COc1cccc2c(C)cc(SCC#N)nc12 with a halo.,COc1cccc2c(C)cc(SCI)nc12
DelComponent,Remove a hydroxyl from the molecule CC1(C)C(=O)Nc2cccc(CNc3nc(Nc4ccc(C5CC[NH+](C(C)(C)O)CC5)c5c4OCO5)ncc3Cl)c21.,CC(C)[NH+]1CCC(c2ccc(Nc3ncc(Cl)c(NCc4cccc5c4C(C)(C)C(=O)N5)n3)c3c2OCO3)CC1
LogP,Modify the molecule CC1CN(CC(=O)NC2CCCC2)c2ccccc2S1 to have a higher LogP value.,CC1CN(C2CCCC2)c2ccccc2S1
MR,Please modify the molecule COC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(=O)CCl to decrease its MR value.,COC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(=O)CO
QED,Please optimize the molecule C=CCN1C(=O)C(=Cc2ccc(OC(C)CC)c(OC)c2)C(=O)NC1=S to have a lower QED value.,C=CCN1C(=O)C(=Cc2ccc(OC(CC)CO)c(OC)c2)C(=O)NC1=S
AtomNum,"There is a molecule composed of 11 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",CCCOc1nc(NN)nc(N(CC)C(C)C)n1
BondNum,"There is a molecule consisting of 16 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CC(C)c1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(C(=O)N4CCCC4C(=O)Nc4cc(C(=O)NC5CCCCC5)ccc4Cl)CC3)c2)cc1F
AddComponent,Please add a hydroxyl to the molecule CCN(CC)C(=O)CNc1nc(C(N)=O)ccc1N.,CCN(CCO)C(=O)CNc1nc(C(N)=O)ccc1N
SubComponent,Please substitute a hydroxyl in the molecule CCC(C(=O)[O-])[NH+]1CC(O)CCC1C with a halo.,CCC(C(=O)[O-])[NH+]1CC(Br)CCC1C
DelComponent,Modify the molecule halo by removing a CC(C)Oc1cncc(NCc2c(C(F)(F)F)cnn2C)n1.,CC(C)Oc1cncc(NCc2c(C(F)F)cnn2C)n1
LogP,Modify the molecule N#Cc1cc(NCc2cc(F)ccc2Br)ccc1[N+](=O)[O-] to decrease its LogP value.,ONc1cc(NCc2cc(F)ccc2Br)ccc1[N+](=O)[O-]
MR,Modify the molecule Clc1ccc(-c2nnc(NCc3ccco3)c3ccccc23)cc1 to have a higher MR value.,CC(=O)c1ccc(-c2nnc(NCc3ccco3)c3ccccc23)cc1
QED,Modify the molecule C[NH+](CC(=O)NC(C)(C)C)CC(=O)N1CCCCC1 to have a lower QED value.,C[NH+](CC(=O)NC(C)(C)C)C1CCCC1
AtomNum,"There is a molecule with 10 carbon atoms, and 1 nitrogen atom.",CCCCC(C)=CC=C(C)[NH3+]
BondNum,"The molecule consists of 10 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",CC(C)c1ncc(-n2ccc(C3CC3)n2)c(CCl)n1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 1 halo group, 1 thioether group, and 1 sulfide group.",Cc1cc(C)cc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(F)cc2)c1
AddComponent,Please add a thiol to the molecule CCCCCCCCCCCOc1cscc1C(=O)OC.,CCCCC(S)CCCCCCOc1cscc1C(=O)OC
SubComponent,Substitute a hydroxyl in the molecule Oc1ccc(-c2cncc(C[NH+]3CC=C(c4ccccc4)CC3)c2)cc1 with a aldehyde.,CC(=O)c1ccc(-c2cncc(C[NH+]3CC=C(c4ccccc4)CC3)c2)cc1
DelComponent,Please remove a benzene ring from the molecule CC(=CCCC[NH3+])c1ccc(C2CCCCC2)cc1.,CC(=CCCC[NH3+])C1CCCCC1
LogP,Please modify the molecule CC(CO)([NH2+]CC(O)COc1cnsn1)c1ccccc1 to increase its LogP value.,CC(CC#N)([NH2+]CC(O)COc1cnsn1)c1ccccc1
MR,Please optimize the molecule [NH3+]CCCSCCCF to have a lower MR value.,CCCSCCC[NH3+]
QED,Optimize the molecule CC(C)n1c(CNC(=O)c2ccc(Cl)cc2)n[nH]c1=S to have a lower QED value.,CC(C)n1c(CNC(=O)c2ccccc2)n[nH]c1=S
AtomNum,"Please generate a molecule composed of 14 carbon atoms, and 4 oxygen atoms.",COCCOc1ccc(C(=O)[O-])c2ccccc12
BondNum,"The molecule is composed of 17 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)[Si](C)(C)OC1CC(=O)C2C(c3ccccc3)=NOC12
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 thioether group, and 1 sulfide group.",O=C(NCCSc1ccccc1)c1cc2c(ccc3ccccc32)o1
AddComponent,Add a benzene ring to the molecule CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC(C)(C)C)cc1.,Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(OC(C)(C)C)cc2)c1
SubComponent,Substitute a halo in the molecule Cc1nc(C(=O)N2CCCC2(C)c2nc3c(C)cccc3n2C)c(-c2cccc(Cl)c2)s1 with a nitrile.,Cc1nc(C(=O)N2CCCC2(C)c2nc3c(C)cccc3n2C)c(-c2cccc(C#N)c2)s1
DelComponent,Please remove a CC12Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C1C2NC(=O)c1ccc(C[NH+]2CCCC(O)C2)c(C(F)(F)F)c1 from the molecule hydroxyl.,CC12Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C1C2NC(=O)c1ccc(C[NH+]2CCCCC2)c(C(F)(F)F)c1
LogP,Optimize the molecule CC(C)(C)CC(=O)N(Cc1ccc(NC(=O)c2ccccc2)cc1)Cc1cccc(C[NH3+])c1 to have a lower LogP value.,CC(C)(C)CC(=O)N(CC[NH3+])Cc1ccc(NC(=O)c2ccccc2)cc1
MR,Modify the molecule Cc1ccc(-c2cnc3c(C)cn(CC(=O)N(C)C)c3c2)s1 to increase its MR value.,Cc1ccc(-c2cnc3c(C)cn(C(C(=O)N(C)C)c4ccccc4)c3c2)s1
QED,Please optimize the molecule COc1ccc(C2Sc3cc(Cc4cccs4)ccc3N(CC[NH+](C)C)CC2OC(C)=O)cc1 to have a lower QED value.,COc1ccc(C2Sc3cc(Cc4cccs4)ccc3N(CC(O)[NH+](C)C)CC2OC(C)=O)cc1
AtomNum,"There is a molecule composed of 28 carbon atoms, 3 oxygen atoms, and 6 nitrogen atoms.",Cc1ccccc1C(C(=O)NCCC(C)C)N(CC[NH+]1CCOCC1)C(=O)Cn1nnc2ccccc21
BondNum,"Please generate a molecule composed of 9 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",NNC(Cc1cccc(F)c1F)c1ccc(Br)cc1Br
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 1 thioether group, and 2 sulfide groups.",CCc1ccc(-c2csc(NC(=O)CSc3nnc(COc4cccc(C)c4)o3)n2)cc1
AddComponent,Add a amine to the molecule Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(C)[NH+]3CCC(C(=O)NC(C(=O)Nc4ccc(NC(=O)c5ccccc5Cl)c(C)c4)C(C)C)CC3)c2)cc1F.,Cc1ccc(NC(=O)c2cc(N)c(C)c(NC(=O)C(C)[NH+]3CCC(C(=O)NC(C(=O)Nc4ccc(NC(=O)c5ccccc5Cl)c(C)c4)C(C)C)CC3)c2)cc1F
SubComponent,Substitute a halo in the molecule O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1F with a carboxyl.,O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(C(=O)[OH])cc1F
DelComponent,Remove a amide from the molecule CC(C)N(C(=O)c1c(C=C(O[Si](C)(C)C)c2ccccc2)ccc2ccccc12)C(C)C.,CC(C)c12ccccc1ccc(C=C(O[Si](C)(C)C)c1ccccc1)C2(C)C
LogP,Please modify the molecule COc1ccc(NC(=O)c2cc(-c3ccccc3F)on2)cc1S(=O)(=O)N1CCOCC1 to decrease its LogP value.,COc1ccc(NC(=O)c2cc(F)on2)cc1S(=O)(=O)N1CCOCC1
MR,Modify the molecule CCCC1(c2ccccc2Cl)N=C(C[NH3+])OC(CC)C1=O to have a lower MR value.,CCCC1(c2ccccc2)N=C(C[NH3+])OC(CC)C1=O
QED,Modify the molecule CC[NH2+]C(Cc1sccc1Br)c1cc(C)ccc1OC to decrease its QED value.,CC(=O)c1ccsc1CC([NH2+]CC)c1cc(C)ccc1OC
AtomNum,"Please generate a molecule composed of 26 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",Cc1cc(-c2c(C)nn(-c3nc(C#Cc4ccccc4)c(SC(C)C)s3)c2C(=O)[O-])cc(C)n1
BondNum,"The molecule consists of 18 single bonds, 14 rotatable bonds, and 6 aromatic bonds.",CCCC[Sn](CCCC)(CCCC)c1cccc(COCOC)n1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ester group, and 1 amide group.",CCOC(=O)c1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)cc1
AddComponent,Please add a carboxyl to the molecule Cc1nn(C(C)C)c(N(C)C(C)(C)CO)c1N.,Cc1nn(C(C)CC(=O)O)c(N(C)C(C)(C)CO)c1N
SubComponent,Please substitute a hydroxyl in the molecule CC(C)COc1ccc(C2=C([NH+]3CCCC(CO)C3)C(=O)N(Cc3ccccc3)C2=O)cc1 with a thiol.,CC(C)COc1ccc(C2=C([NH+]3CCCC(CS)C3)C(=O)N(Cc3ccccc3)C2=O)cc1
DelComponent,Modify the molecule amine by removing a CCCN(CC)c1ccc(N)s1.,CCCN(CC)c1cccs1
LogP,Modify the molecule CSc1ccc(-c2ccc3c(c2)C(=O)N2CCN(C(=O)CCC(=O)[O-])CC2C(=O)N3)cc1 to decrease its LogP value.,CSc1ccc(-c2ccc3c(c2)C(=O)N2CCN(C(=O)CCC(=O)[O-])C(C(=O)O)C2C(=O)N3)cc1
MR,Please optimize the molecule CCCC[NH+](CC)CC(O)c1ccc(C)cc1 to have a higher MR value.,CC(=O)C(C[NH+](CC)CCCC)c1ccc(C)cc1
QED,Please modify the molecule NC(=[NH2+])c1ccc(N2CCC(c3ccccc3)C2)nc1 to increase its QED value.,NCc1ccc(N2CCC(c3ccccc3)C2)nc1
AtomNum,"There is a molecule with 12 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)CC1CC1C
BondNum,"There is a molecule composed of 9 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(S(=O)(=O)NCCCC[NH3+])cc1Br
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 2 amide groups.",O=C(NCC1(c2ccccc2)CCC1)C1CCN(C(=O)c2ccco2)CC1
AddComponent,Please add a benzene ring to the molecule CNC(=O)C[NH+]1CCC(NC(NCC(C)Oc2ccccc2)=[NH+]C)CC1.,CNC(=O)C[NH+]1CCC(NC(NCC(C)Oc2cccc(-c3ccccc3)c2)=[NH+]C)CC1
SubComponent,Please substitute a halo in the molecule Cc1occc1-c1nnc2sc(-c3ccccc3I)nn12 with a nitrile.,Cc1occc1-c1nnc2sc(-c3ccccc3C#N)nn12
DelComponent,Please remove a halo from the molecule CCC(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2ccc(C(F)(F)F)cc2)C3)cc1.,CCC(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2ccc(C(F)F)cc2)C3)cc1
LogP,Modify the molecule CC[NH2+]C(c1ccc(C)cc1)C(C)CC to increase its LogP value.,CC[NH2+]C(c1ccc(Cc2ccccc2)cc1)C(C)CC
MR,Optimize the molecule COC(=O)c1ccc(NC(C)Cn2ccnc2)c(F)c1F to have a higher MR value.,CC(Cn1ccnc1)Nc1ccc(C(=O)OCc2ccccc2)c(F)c1F
QED,Modify the molecule CN(Cc1ccccc1)C(=O)CCNc1ccccc1Cl to have a lower QED value.,CN(Cc1ccccc1)C(=O)CCNc1ccccc1NO
AtomNum,"There is a molecule composed of 9 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1oncc1C(=O)NCC=CC[NH3+]
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",COc1cc(CC(=O)[O-])nc(OC(F)(F)F)c1C(F)F
FunctionalGroup,"The molecule has 1 benzene ring group, 3 amide groups, 1 amine group, and 1 halo group.",C#CCN(CCc1c[nH]c2[nH]c(N)nc(=O)c12)c1ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])c(Cl)c1
AddComponent,Add a hydroxyl to the molecule CCN(C(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1)c1ccccc1C.,Cc1ccccc1N(C(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1)C(C)O
SubComponent,Substitute a halo in the molecule CC=CC(=O)N(C)CCOc1ccc(Cl)cc1 with a hydroxyl.,CC=CC(=O)N(C)CCOc1ccc(O)cc1
DelComponent,Remove a amide from the molecule CCC1NC(=O)CN(CC(C2CC2)C2CC2)C1=O.,CCC1C(=O)N1CC(C1CC1)C1CC1
LogP,Modify the molecule CSCC(C)[NH2+]Cc1nc(C)c(C)s1 to have a lower LogP value.,CSCC(C)[NH2+]Cc1nc(C)c(CO)s1
MR,Please optimize the molecule O=C1CCC(C(=O)N2CCCN(C(=O)c3c[nH]c4ccccc34)CC2)=NN1 to have a lower MR value.,O=C(C1=NC1)N1CCCN(C(=O)c2c[nH]c3ccccc23)CC1
QED,Modify the molecule CC(C[NH2+]CC1CCCO1)Sc1cccc(F)c1 to decrease its QED value.,CC(C[NH2+]CC1CCCO1)Sc1ccccc1
AtomNum,"The molecule consists of 20 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",O=C(NCC(Cc1cccnc1)c1ccccc1)c1cccnc1
BondNum,"The molecule has 11 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cn1cnnc1CC[NH2+]C1CC(c2cccc(Br)c2)C1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 1 amine group.",CN(C(=O)c1cccc(Nc2nc(=O)c3ccccc3[nH]2)c1)C1CC[NH+](C)CC1
AddComponent,Modify the molecule CC(Oc1nncc2cc(-c3cccc(C(N)=O)c3)ccc12)C(F)(F)F by adding a hydroxyl.,CC(Oc1nncc2cc(-c3cc(O)cc(C(N)=O)c3)ccc12)C(F)(F)F
SubComponent,Substitute a Cc1cccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)S(=O)(=O)c2ccc(Cl)cc2)c1 in the molecule halo with a hydroxyl.,Cc1cccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)S(=O)(=O)c2ccc(O)cc2)c1
DelComponent,Please remove a amine from the molecule CCCCCNc1nc(NCC)nc(N(C)C)n1.,CCCCCc1nc(NCC)nc(N(C)C)n1
LogP,Optimize the molecule CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC to have a higher LogP value.,CCn1c(Cc2ccc(OC)cc2)nnc1Sc1sc(C(=O)N(C)C)c(C)c1C(=O)OC
MR,Optimize the molecule NC(=O)C=C1CN=C(c2ccccc2Cl)c2cc(CCl)ccc2N1 to have a lower MR value.,NC(=O)C=C1CN=C(Cl)c2cc(CCl)ccc2N1
QED,Modify the molecule OC(CNc1cc(C(F)(F)F)cc(Cl)n1)c1ccccc1 to decrease its QED value.,N#CC(F)(F)c1cc(Cl)nc(NCC(O)c2ccccc2)c1
AtomNum,"The molecule consists of 13 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)C(CO)NC(=O)Cc1cccc2nsnc12
BondNum,"The molecule has 11 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",Cc1cc(C)c2nc(NC(=O)C3CNNC3c3ccccc3)sc2c1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 ketone group, 1 ester group, 1 amide group, and 1 halo group.",CCOC(=O)CC(=O)N(CC(=O)c1ccc(F)c(C)c1)c1ccccc1
AddComponent,Please add a benzene ring to the molecule CC1CC2C(=O)N(C3CCCCC3(C)C(=O)[O-])C(=O)C2C1.,CC1CC2C(=O)N(C3CCCCC3(C)C(=O)[O-])C(=O)C2C1c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule CCC(O)(C[NH3+])Cc1ccc(F)cc1 with a nitro.,CCC(C[NH3+])(Cc1ccc(F)cc1)NO
DelComponent,Please remove a hydroxyl from the molecule CC(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OCc2ccncc2)cc1Cl.,CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OCc2ccncc2)cc1Cl
LogP,Modify the molecule C=CCOc1cc(C(F)(F)F)nc(N)n1 to decrease its LogP value.,C=CCOc1cc(C(F)F)nc(N)n1
MR,Please optimize the molecule CCC(C)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 to have a higher MR value.,CCC(CN)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1
QED,Optimize the molecule COc1cccc([Ge](C)(C)C)c1 to have a higher QED value.,COc1cccc([Ge](C)(C)Cc2ccccc2)c1
AtomNum,"The molecule has 16 carbon atoms, 5 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CC1CCCCC1NC(=S)N1CCN(c2ncc(Br)cn2)CC1
BondNum,"The molecule has 16 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",COc1cccc(OC)c1C(=O)N1C(C)CC2C[NH2+]CC21
FunctionalGroup,The molecule has and 1 amide group.,CCN(CCn1cccn1)c1ncccc1C(=O)N(C)C
AddComponent,Modify the molecule CC1CC[NH+](C(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c2cccs2)CC1 by adding a hydroxyl.,CC1CC[NH+](C(CNC(=O)CN(CO)S(=O)(=O)c2ccc(Cl)cc2)c2cccs2)CC1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C[NH+](C)CC1(O)CCOCC1)C(N)=[NH+]O with a thiol.,CC(C[NH+](C)CC1(S)CCOCC1)C(N)=[NH+]O
DelComponent,Modify the molecule amide by removing a COC(=O)c1ccc(NC(=O)C(C)=C(C)C(=O)[O-])cc1.,COC(=O)c1ccc(C(C)(C)C(=O)[O-])cc1
LogP,Please optimize the molecule Cc1ccccc1CC(NC(=O)C(CCC(=O)[O-])NC(=O)C([NH3+])CC(=O)[O-])C(=O)N(C(=O)CCC(=O)[O-])C(C(=O)NC(CC(C)C)C(=O)NC=CCCB(O)O)C1CCCCC1 to have a lower LogP value.,Cc1ccccc1CC(NC(=O)C(CCC(=O)[O-])NC(=O)C([NH3+])C(C(=O)[O-])C(=O)O)C(=O)N(C(=O)CCC(=O)[O-])C(C(=O)NC(CC(C)C)C(=O)NC=CCCB(O)O)C1CCCCC1
MR,Modify the molecule COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)C[NH+](CCc1ccccc1OC)CO3 to have a lower MR value.,COCC[NH+]1COc2ccc3c(C)c(CC(=O)OC)c(=O)oc3c2C1
QED,Modify the molecule Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1I to have a higher QED value.,Cc1ccc(C(=O)NC(=S)NC(=O)N2CCCCC2)cc1I
AtomNum,"The molecule has 12 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(C)(C)OC(=O)NC1CCCC(C[NH3+])C1
BondNum,"The molecule is composed of 6 single bonds, 1 triple bond, 2 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(F)c(-c2cc(CC#N)c(C)s2)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 ester group.",C=C(C)C(=O)OCCOc1cccc(N(CC)CC)c1
AddComponent,Add a hydroxyl to the molecule CC(CNC(=O)c1c[nH]c2cc(N)ccc12)[NH+](C)C.,CC(CNC(=O)c1c[nH]c2cc(N)cc(O)c12)[NH+](C)C
SubComponent,Substitute a halo in the molecule Cc1nc(Cl)c(NCC2CC[NH+](C(C)C)C2)nc1C with a thiol.,Cc1nc(S)c(NCC2CC[NH+](C(C)C)C2)nc1C
DelComponent,Remove a Cn1c(=O)c2ccccc2n2c(COC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nnc12 from the molecule amine.,Cn1c(=O)c2ccccc2n2c(COC(=O)c3cccc(S(=O)(=O)c4ccccc4)c3)nnc12
LogP,Please modify the molecule COC1(C(C)(C)O)CCC(=O)C2(CCCCO2)O1 to increase its LogP value.,COC1(C(C)C)CCC(=O)C2(CCCCO2)O1
MR,Modify the molecule CCN(CC(F)(F)F)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C to decrease its MR value.,CCN(CC(F)F)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C
QED,Please modify the molecule CC[NH+](CC)Cc1cc(C(N)=S)ccc1F to decrease its QED value.,CC[NH+](CC)Cc1cccc(C(N)=S)c1
AtomNum,"There is a molecule consisting of 32 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 6 fluorine atoms.",O=C(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cc3ccccc3s2)c1)N1CCC(c2cccnc2)C1
BondNum,"Please generate a molecule with 12 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",C=C(C)COCCNC(=O)c1cc(F)c(F)cc1C(=O)[O-]
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 amide group.",CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1
AddComponent,Please add a aldehyde to the molecule O=C(OCc1ccccc1)N1CCCC1C(O)O.,O=CCC1CCN(C(=O)OCc2ccccc2)C1C(O)O
SubComponent,Please substitute a halo in the molecule COc1ccc(C(=O)c2ccc(OC)cc2Cc2ccc(Br)cc2)c(Cc2ccc(Br)cc2)c1 with a aldehyde.,CC(=O)c1ccc(Cc2cc(OC)ccc2C(=O)c2ccc(OC)cc2Cc2ccc(Br)cc2)cc1
DelComponent,Please remove a amine from the molecule Cc1cnc(Nc2nc3ccccc3o2)s1.,Cc1cnc(-c2nc3ccccc3o2)s1
LogP,Modify the molecule O=C(OC(CCCCO)CCCCO)c1ccccc1 to have a higher LogP value.,O=C(OC(CCCCO)CCCCS)c1ccccc1
MR,Please optimize the molecule Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)nc(NCC(C)(C)[NH3+])c2c1 to have a higher MR value.,Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)nc(NC(N)C(C)(C)[NH3+])c2c1
QED,Please modify the molecule COc1ccc(-n2cc(-c3ccnc(C(C)C)n3)c(C)n2)cc1 to increase its QED value.,COn1cc(-c2ccnc(C(C)C)n2)c(C)n1
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",CC(C)CNC(=O)N1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)CC1
BondNum,"There is a molecule composed of 16 single bonds, 2 double bonds, 10 rotatable bonds, and 24 aromatic bonds.",COC(=O)c1cc(Cc2ccc(Oc3ccc(Cc4ccc(OC)c(C(=O)OC)c4)cc3)cc2)ccc1OC
FunctionalGroup,"There is a molecule consisting of 2 ester groups, and 1 sulfide group.",COC(=O)c1sccc1OCC(=O)OC(C)(C)C
AddComponent,Modify the molecule CCCC=CCCCCCCCCCCCCCCOC1C(CO)OCC(O)C1O by adding a thiol.,CCCC=CCCCCCCCCCCCCCCOC1(S)C(CO)OCC(O)C1O
SubComponent,Please substitute a CCN(CC)C(=O)c1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2N)c1 in the molecule halo with a nitrile.,CCN(CC)C(=O)c1cccc(NC(=O)CSc2nnc(C(F)(F)C#N)n2N)c1
DelComponent,Modify the molecule Cc1cc(Br)cc(NC(=O)C(C)(C)CCl)c1 by removing a halo.,Cc1cc(Br)cc(NC(=O)C(C)(C)C)c1
LogP,Optimize the molecule COc1ccc(C(Oc2ccccn2)C(F)(F)I)cc1 to have a lower LogP value.,COc1ccc(C(Oc2ccccn2)C(O)(F)I)cc1
MR,Modify the molecule N=Cc1cc(Nc2ncnc3[nH]ncc23)ccc1N to increase its MR value.,N=Cc1cc(Nc2nc(O)nc3[nH]ncc23)ccc1N
QED,Modify the molecule CCCCC(=O)C(CC(=O)c1cccc(O)c1)c1cccs1 to decrease its QED value.,CCCCC(=O)C(CC(=O)c1cccc(F)c1)c1cccs1
AtomNum,"There is a molecule with 23 carbon atoms, and 1 nitrogen atom.",CCCCCCC=Cc1nc2ccccc2cc1CCCCCC
BondNum,"There is a molecule with 16 single bonds, 2 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",CCCN(C)c1ccc(C[NH2+]CC(C)C)c(Br)c1
AddComponent,Add a benzene ring to the molecule CCOc1ccc(Oc2cc(CNC(=O)C(NC(=O)c3ccccc3)c3ccccc3)ccn2)cc1.,CCOc1ccc(Oc2cc(CNC(=O)C(NC(=O)c3ccccc3-c3ccccc3)c3ccccc3)ccn2)cc1
SubComponent,Substitute a hydroxyl in the molecule OCC(COc1ccc2c(c1)CCC2)([NH2+]C1CC1)C1CC1 with a halo.,FCC(COc1ccc2c(c1)CCC2)([NH2+]C1CC1)C1CC1
DelComponent,Please remove a CC(C)(C)C(=Cc1ccc(Cl)cc1)C(=O)C(=Cc1ccc(Cl)cc1)C(C)(C)C from the molecule halo.,CC(C)(C)C(=Cc1ccccc1)C(=O)C(=Cc1ccc(Cl)cc1)C(C)(C)C
LogP,Please modify the molecule Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1 to decrease its LogP value.,Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1NC(=O)C1CCCN1C(=O)C1(O)CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1
MR,Optimize the molecule COc1cccc(-n2nc(Cc3c(Cl)cccc3Cl)c(=O)n(CC([NH3+])c3ccccc3)c2=O)c1F to have a higher MR value.,COc1cccc(-n2nc(Cc3c(Cl)cccc3NO)c(=O)n(CC([NH3+])c3ccccc3)c2=O)c1F
QED,Please modify the molecule CCCCn1c(N)c(N(C(=O)CN(CC#N)C2CC2)C2CCCC2)c(=O)[nH]c1=O to decrease its QED value.,CCCCn1c(N)c(N(C(=O)CN(CO)C2CC2)C2CCCC2)c(=O)[nH]c1=O
AtomNum,"Please generate a molecule with 25 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COCCCOc1cccc(COc2ccc(C[NH2+]C3CC3)c3ccccc23)c1
BondNum,"There is a molecule consisting of 14 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CC(=O)Nc1ccc(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)cc1
FunctionalGroup,The molecule consists of and 3 halo groups.,CCCC1CCCCN1C[B-](F)(F)F
AddComponent,Add a benzene ring to the molecule C[NH+](C)C1(c2ccccc2)CC=C(c2[nH]c3ccccc3c2CCc2ccncc2)CC1.,C[NH+](C)C1(c2ccccc2-c2ccccc2)CC=C(c2[nH]c3ccccc3c2CCc2ccncc2)CC1
SubComponent,Modify the molecule hydroxyl by substituting a OB(O)c1c(F)cc(F)cc1F with a nitrile.,N#CB(O)c1c(F)cc(F)cc1F
DelComponent,Remove a amine from the molecule COc1cc(N)c(NN2C(C)CCCC2C)cc1OC.,COc1cc(N)c(N2C(C)CCCC2C)cc1OC
LogP,Modify the molecule COc1cc(OCC(=O)NCCOc2ccc3ccccc3c2)ccc1[N+](=O)[O-] to decrease its LogP value.,COc1(O[O-])cc(OCC(=O)NCCOc2ccc3ccccc3c2)cc-1
MR,Please optimize the molecule CN(Cc1nccn1C(F)F)C(=O)COc1ccc(Cl)cc1 to have a higher MR value.,CN(Cc1nccn1C(F)C#N)C(=O)COc1ccc(Cl)cc1
QED,Modify the molecule O=[S+]([O-])(NC1CC[NH+](Cc2ccc(-c3ccsc3)cc2)C1)c1cccs1 to increase its QED value.,O=[S+]([O-])(c1cccs1)C1CC[NH+](Cc2ccc(-c3ccsc3)cc2)C1
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COc1ccc(-c2nnc(SCc3ccc(C(C)C)cc3)n2CC2CCCO2)cc1
BondNum,"The molecule contains 7 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",CC(C)C1C=Nc2ccccc2C1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, 1 nitro group, and 1 halo group.",[NH3+]C1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1
AddComponent,Add a benzene ring to the molecule O=C([O-])c1ccc(C(=O)[O-])c(NC(=O)c2ccc(CC(=O)c3ccccc3)cc2)c1.,O=C([O-])c1ccc(C(=O)[O-])c(NC(=O)c2ccc(CC(=O)c3ccccc3)cc2-c2ccccc2)c1
SubComponent,Modify the molecule hydroxyl by substituting a CC1C[NH+](Cc2ccnc(Cl)c2)CC1O with a nitrile.,CC1C[NH+](Cc2ccnc(Cl)c2)CC1C#N
DelComponent,Remove a halo from the molecule COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3Cl)cc2)c1.,COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)cc2)c1
LogP,Please modify the molecule CCCC(C(=O)OC)C(O)C1CCCCC1 to increase its LogP value.,CCCC(CC1CCCCC1)C(=O)OC
MR,Optimize the molecule N#CC(CN)Cc1cnn2ccoc12 to have a lower MR value.,NCC(Cc1cnn2ccoc12)NO
QED,Modify the molecule CS(=O)(=O)Nc1ccc(C(=O)NCCN2C(=O)SC(=Cc3ccc(F)cc3)C2=O)cc1 to have a lower QED value.,CS(=O)(=O)Nc1ccc(C(=O)NCCN2C(=O)SC(=Cc3ccc(S)cc3)C2=O)cc1
AtomNum,"The molecule is composed of 16 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CC(C)[NH+]1CCOC(c2noc(C3CCn4cncc4C3)n2)C1
BondNum,"The molecule contains 13 single bonds, 1 double bond, and 4 rotatable bonds.",CCCN1CCCC([NH3+])(CC(N)=O)C1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 4 amide groups.",Cc1ccc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccccc3C(N)=O)CC2)c(C)c1
AddComponent,Add a amine to the molecule COC(=O)C(C)C[NH+](Cc1cccc(C(=O)[O-])c1)C1CC1.,COC(=O)C(C)C[NH+](Cc1cccc(C(=O)[O-])c1)C1CC1N
SubComponent,Please substitute a halo in the molecule Nc1ccc(NC(=O)CCOc2ccccc2)c(Br)c1 with a carboxyl.,Nc1ccc(NC(=O)CCOc2ccccc2)c(C(=O)[OH])c1
DelComponent,Modify the molecule amide by removing a Cc1ccc2nc(NC(=O)COC3CCCC(C)C3)sc2c1.,Cc1ccc2nc(OC3CCCC(C)C3)sc2c1
LogP,Please optimize the molecule CCC(CS(=O)c1ccc2ccccc2c1)NC to have a higher LogP value.,CCC(C)CS(=O)c1ccc2ccccc2c1
MR,Please modify the molecule O=C(CN(CC1CCCO1)S(=O)(=O)C=Cc1ccccc1)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O to increase its MR value.,CC(=O)c1ccc(CN(Cc2coc3ccccc3c2=O)C(=O)CN(CC2CCCO2)S(=O)(=O)C=Cc2ccccc2)cc1
QED,Optimize the molecule CCCCCCCCCCCCCCCCn1cccc1C=O to have a higher QED value.,CCCCCCCCC(O)CCCCCCCn1cccc1C=O
AtomNum,"The molecule contains 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(=O)N(C)c1ccc(Oc2ccc(C)nn2)cc1
BondNum,"The molecule is composed of 9 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",C[NH+]1Cc2sccc2C(Oc2cccc(F)c2)C1
FunctionalGroup,"There is a molecule consisting of 3 amide groups, and 1 halo group.",O=C(CC1NC(=O)c2ccccc2NC1=O)NCCn1ccc2cc(Br)ccc21
AddComponent,Please add a aldehyde to the molecule CC(C)(C)c1ccc(-c2nnc(-c3ccc(Oc4ccc(N(c5ccc(Oc6ccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)cc6)cc5)c5ccc(Oc6ccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)cc6)cc5)cc4)cc3)o2)cc1.,CC(C)(C)c1ccc(-c2nnc(-c3ccc(Oc4ccc(N(c5ccc(Oc6ccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)cc6)cc5)c5ccc(Oc6ccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)c(CC=O)c6)cc5)cc4)cc3)o2)cc1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1cscc1C(=O)NCc1cccc(CO)c1 with a nitro.,Cc1cscc1C(=O)NCc1cccc(CNO)c1
DelComponent,Remove a hydroxyl from the molecule NS(=O)(=O)OCC1CC(Nc2cc(NC3CCc4ccccc43)nc(=O)[nH]2)CC1O.,NS(=O)(=O)OCC1CCC(Nc2cc(NC3CCc4ccccc43)nc(=O)[nH]2)C1
LogP,Modify the molecule O=[N+]([O-])c1cccnc1NN=Cc1ccc2c(ccn2Cc2cccc(F)c2)c1 to have a lower LogP value.,N#Cc1cccc(Cn2ccc3cc(C=NNc4ncccc4[N+](=O)[O-])ccc32)c1
MR,Modify the molecule CCC1(C#N)CCS(=O)(=O)CC1O to have a higher MR value.,CCC1(S)CCS(=O)(=O)CC1O
QED,Please modify the molecule COc1cc(OC)c(C=C2C(=O)c3ccccc3C2=O)cc1Cl to decrease its QED value.,COc1cc(OC)c(C=C2C(=O)c3ccccc3C2=O)cc1S
AtomNum,"The molecule is composed of 12 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COC(=O)C(C[NH+]1CC(OC)C(OC)C1)NC(C)=O
BondNum,"The molecule is composed of 21 single bonds, 1 double bond, 9 rotatable bonds, and 23 aromatic bonds.",CC1(C(=O)NCC2CC2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccccn4)n3)[nH]2)OC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 nitro groups.",O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)cc2c1
AddComponent,Please add a benzene ring to the molecule CS(=O)(=O)c1ccccc1[NH+]=C(N)N1CCCc2ccccc21.,CS(=O)(=O)c1cccc(-c2ccccc2)c1[NH+]=C(N)N1CCCc2ccccc21
SubComponent,Substitute a halo in the molecule CC(C)(C)C(=O)N1CC2(CC[NH+](Cc3ccccc3-c3ccccc3)CC2)c2cc(F)ccc21 with a carboxyl.,CC(C)(C)C(=O)N1CC2(CC[NH+](Cc3ccccc3-c3ccccc3)CC2)c2cc(C(=O)[OH])ccc21
DelComponent,Modify the molecule halo by removing a C=CC1CC1(CC(=O)C1CC(Oc2cc(-c3nc(C(C)C)cs3)nc3c(Cl)c(OCC[NH+]4CCOCC4)ccc23)C2CCC(C(C)(C)OC)C(=O)N12)C(=O)NS(=O)(=O)C1CC1.,C=CC1CC1(CC(=O)C1CC(Oc2cc(-c3nc(C(C)C)cs3)nc3cc(OCC[NH+]4CCOCC4)ccc23)C2CCC(C(C)(C)OC)C(=O)N12)C(=O)NS(=O)(=O)C1CC1
LogP,Modify the molecule COC1(C(=O)Nc2cccc(-c3nnnn3C)c2)CC[NH2+]CC1 to have a lower LogP value.,COC1(C(=O)Nc2cc(-c3nnnn3C)ccc2O)CC[NH2+]CC1
MR,Modify the molecule CCC(C)Nc1cc(F)cc(C(=O)[O-])c1 to increase its MR value.,CC(CCO)Nc1cc(F)cc(C(=O)[O-])c1
QED,Please optimize the molecule CC(C)C(NC(=O)CSc1nnnn1C1CCCC1)c1nc(-c2ccncc2)no1 to have a higher QED value.,CC(C)C(Sc1nnnn1C1CCCC1)c1nc(-c2ccncc2)no1
AtomNum,"The molecule contains 6 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",N=C(Cl)c1ccc[n+]([O-])c1
BondNum,"The molecule is composed of 13 single bonds, 2 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",CC1COCCC1C(=O)NCc1ccc(C(=O)[O-])o1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfone group.",COC1CN(S(=O)(=O)c2ccc(C)c(-c3c[nH+]c4c(N)ncnn34)c2)CC1F
AddComponent,Please add a hydroxyl to the molecule O=S(=O)(NC1(c2ccccc2)CCC1)c1cnn2c1OCCC2.,O=S(=O)(NC1(c2ccccc2)CCC1)c1cnn2c1OCCC2O
SubComponent,Substitute a halo in the molecule Cc1ccnc(Cl)c1NC(=O)Cc1ccc(N)cc1 with a nitro.,Cc1ccnc(NO)c1NC(=O)Cc1ccc(N)cc1
DelComponent,Remove a benzene ring from the molecule C[NH2+]CCc1nc2cc(F)ccc2n1Cc1ccccc1.,C[NH2+]CCc1nc2cc(F)ccc2n1C
LogP,Please optimize the molecule CCc1cc(Cn2c(=O)oc3cc(I)ccc32)n(C)n1 to have a lower LogP value.,CC(=O)c1ccc2c(c1)oc(=O)n2Cc1cc(CC)nn1C
MR,Modify the molecule CCC(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C(C)=O)CC2)CC1 to have a lower MR value.,CCC(=O)NC1CCN(c2ccccc2C(=O)N2CCCC2)CC1
QED,Please modify the molecule C[NH2+]CC1CCC([NH3+])C(OC2C([NH3+])CC(NC(=O)N(O)CC[NH3+])C(O)C2OC2OC(CO)C(OC3OC(C[NH3+])C(O)C(O)C3[NH3+])C2O)O1 to increase its QED value.,C[NH2+]CC1CCC([NH3+])C(OC2C([NH3+])CC(NC(=O)N(O)CC[NH3+])C(O)C2OC2OC(CO)C(OC3OC(C[NH3+])C(O)CC3[NH3+])C2O)O1
AtomNum,"There is a molecule composed of 13 carbon atoms, 3 nitrogen atoms, and 1 bromine atom.",Cc1cc(N)nc(-c2cc(C)c(Br)c(C)c2)n1
BondNum,"There is a molecule composed of 15 single bonds, 7 rotatable bonds, and 63 aromatic bonds.",c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(N4c5ccccc5Sc5ccccc54)cc(N4c5ccccc5Sc5ccccc54)c3)cc2)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",CCOCC(=O)N(CC)c1ccc(C[NH3+])cc1
AddComponent,Please add a hydroxyl to the molecule CC1(C)COC(C=C(Nc2ccccc2)c2ccccc2)=N1.,CC1(C)COC(C=C(Nc2ccccc2)c2cccc(O)c2)=N1
SubComponent,Substitute a O=C1NCC2(CN(C(=O)Cc3ccc(Cl)cc3)C2)O1 in the molecule halo with a nitro.,ONc1ccc(CC(=O)N2CC3(CNC(=O)O3)C2)cc1
DelComponent,Please remove a CC(C)c1cccc(Oc2ccc(CBr)cc2[N+](=O)[O-])c1 from the molecule halo.,Cc1ccc(Oc2cccc(C(C)C)c2)c([N+](=O)[O-])c1
LogP,Please optimize the molecule CCC[NH2+]C(CCc1ccsc1)c1cc(C)oc1C to have a lower LogP value.,CCC[NH2+]C(CCc1ccsc1O)c1cc(C)oc1C
MR,Optimize the molecule CC1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)C1(c2ccccc2)CCCC1 to have a higher MR value.,CC1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)C1(c2ccccc2)CCC(C(=O)O)C1
QED,Please modify the molecule Cc1nc2sc(C(c3ccc(Br)cc3F)[NH+]3CCCCC3)c(O)n2n1 to increase its QED value.,Cc1nc2sc(C(c3ccc(Br)cc3)[NH+]3CCCCC3)c(O)n2n1
AtomNum,"Please generate a molecule composed of 30 carbon atoms, 6 oxygen atoms, and 4 nitrogen atoms.",Cn1ccnc1-c1ccc2c(C(=O)NC3C(O)OC(CO)C(O)C3O)cn(Cc3ccc4ccccc4c3)c2c1
BondNum,"There is a molecule composed of 7 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",O=C(Nc1ccc2c(c1)CCN2)c1cnn2ccncc12
FunctionalGroup,There is a molecule with and 1 benzene ring group.,CCCCCCCC[NH2+]C1CCCCC1c1ccccc1
AddComponent,Add a benzene ring to the molecule CCOc1ccc(OCC)c(NC(=O)c2cccc(N)c2)c1.,CCOc1ccc(OC(C)c2ccccc2)cc1NC(=O)c1cccc(N)c1
SubComponent,Please substitute a Cc1ccc(O)cc1C12CC(=O)NC(=O)N(C)CCC1(O)C1C(C[NH+]1CCF)C2 in the molecule halo with a nitrile.,Cc1ccc(O)cc1C12CC(=O)NC(=O)N(C)CCC1(O)C1C(C[NH+]1CCC#N)C2
DelComponent,Remove a CC=Cc1c(N)ncnc1NN from the molecule amine.,CC=Cc1c(N)ncnc1N
LogP,Modify the molecule Cc1cnc(N(C)Cc2ccno2)nc1N(C)C to have a lower LogP value.,Cc1c(N)nc(N(C)Cc2ccno2)nc1N(C)C
MR,Modify the molecule CN(Cc1ccc(O)cc1)C(=O)C1CCC[NH+](Cc2ccccc2)C1 to decrease its MR value.,CN(Cc1ccccc1)C(=O)C1CCC[NH+](Cc2ccccc2)C1
QED,Optimize the molecule CCCCCCCC[NH2+]CCC1([NH2+]C)CCCCC1 to have a lower QED value.,CCCCCCCC[NH2+]CCC1([NH2+]C)CCCC(CC=O)C1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 chlorine atoms.",COc1cccn2c(C(=O)Nc3ccc(Cl)c(Cl)c3)c(C)nc12
BondNum,"Please generate a molecule consisting 15 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)COc1c(I)cc(C=NN=C2C(=O)Nc3ccccc32)cc1OC
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 3 amide groups.",Cc1cc(C)cc(C(=O)NCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1
AddComponent,Add a hydroxyl to the molecule COCCn1c(C[NH3+])nnc1C1CC([NH3+])C1.,COCCn1c(C[NH3+])nnc1C1CC([NH3+])C1O
SubComponent,Modify the molecule hydroxyl by substituting a CCc1cc(C)cc(C(C)CC)c1O with a nitrile.,CCc1cc(C)cc(C(C)CC)c1C#N
DelComponent,Modify the molecule O=[N+]([O-])c1ccc(NCCO)c(NCc2noc(C3CC3)n2)c1 by removing a benzene ring.,O=[N+]([O-])N(Cc1noc(C2CC2)n1)NCCO
LogP,Modify the molecule CCC1(C(=O)OOc2ccc(Cl)c(F)c2)CCCn2c(-c3ccc(-c4cnc(C)o4)c(OC)c3)nnc21 to have a higher LogP value.,CCC1(C(=O)OOc2ccc(Cl)c(F)c2)CCC(C#N)n2c(-c3ccc(-c4cnc(C)o4)c(OC)c3)nnc21
MR,Modify the molecule CC1C[NH2+]CC(NC(=O)c2ccc(O)c(O)c2)C1 to increase its MR value.,CC(=O)c1ccc(C(=O)NC2C[NH2+]CC(C)C2)cc1O
QED,Modify the molecule [NH3+]C(CC(=O)[O-])NC(=O)c1ccc(N2CCN(C3=[NH+]CCCN3)CC2)c(F)c1 to have a lower QED value.,[NH3+]C(CC(=O)[O-])NC(=O)c1ccc(N2CCN(C3=[NH+]CCCN3)CC2)c(O)c1
AtomNum,"The molecule has 22 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",COc1ccccc1-c1csc(C2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)n1
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CN(c1ccc(SC(=O)[O-])nc1)[Si](C)(C)C
FunctionalGroup,"The molecule is composed of 1 ester group, and 1 sulfoxide group.",CC(C)OC(=O)CS(=O)C(C)(C)C
AddComponent,Modify the molecule C#CCCCNc1ccnc(Cl)c1[N+](=O)[O-] by adding a hydroxyl.,C#CCCC(O)Nc1ccnc(Cl)c1[N+](=O)[O-]
SubComponent,Please substitute a CCS(=O)(=O)CCCOC(=O)c1c(N)cccc1Cl in the molecule halo with a nitrile.,CCS(=O)(=O)CCCOC(=O)c1c(N)cccc1C#N
DelComponent,Remove a amine from the molecule C[NH+](Cc1cccc2c1NCC2)CC1CCCOC1.,C[NH+](Cc1cccc2c1CC2)CC1CCCOC1
LogP,Please modify the molecule CCC(CC)N(CCBr)c1ccc(C(F)(F)F)cc1F to decrease its LogP value.,CCC(CC)N(CCBr)c1ccc(C(F)F)cc1F
MR,Optimize the molecule CCOC(=O)CC1([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 to have a lower MR value.,CCOC(=O)CC1([NH2+]COCC2CC2)CC1
QED,Modify the molecule CCCn1ncc(OC)c1C(O)c1occc1C to decrease its QED value.,CCCn1ncc(OC)c1C(S)c1occc1C
AtomNum,"The molecule contains 21 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CN(C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)C1CCCCC1
BondNum,"There is a molecule with 16 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)NC(=O)OCC(C)(C)c1ncc(C(F)(F)F)cc1Cl
FunctionalGroup,"The molecule has 2 ester groups, and 1 sulfone group.",CC(C)OC(=O)C1C2CC(C1C(=O)OC(C)C)C(S(=O)(=O)[O-])C2
AddComponent,Modify the molecule Cn1nc(-c2ccc(Cl)s2)c(-c2cccs2)c1N by adding a thiol.,Cn1nc(-c2ccc(Cl)s2)c(-c2ccc(S)s2)c1N
SubComponent,Substitute a halo in the molecule Fc1cc(F)c(CN2CC[NH2+]CC2)c2c1CCO2 with a aldehyde.,CC(=O)c1cc(F)c(CN2CC[NH2+]CC2)c2c1CCO2
DelComponent,Please remove a CNC(=O)c1ccccc1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3[NH3+])C2O[Si](C)(C)C(C)(C)C)c1=O from the molecule amide.,Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3[NH3+])C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)c2(C)cccc-2)c1=O
LogP,Please modify the molecule COC(=O)C1c2ccsc2CCN1C(=O)c1ccccc1I to decrease its LogP value.,COC(=O)C1c2ccsc2CCN1C(=O)I
MR,Please optimize the molecule CCCCCCC(CCCCCCCCCCC(=O)C1(O)OC(CO)C(O)C(O)C1[NH3+])Oc1ccc(N=[N+]=[N-])cc1[N+](=O)[O-] to have a higher MR value.,CCCCCCC(CCCCCCCCCCC(=O)C1(O)OC(CO)C(O)C(O)C1[NH3+])Oc1ccc(N=[N+]=[N-])cc1[SH]=O
QED,Please modify the molecule NC(=[NH+]O)c1ccnc(OCc2ccc(Br)cc2)n1 to decrease its QED value.,NC(=[NH+]O)c1ccnc(OCc2ccccc2)n1
AtomNum,"There is a molecule consisting of 27 carbon atoms, 2 sulfur atoms, and 1 boron atom.",Cc1cc(C)c(B(c2ccc(C(C)(C)C)cc2)c2ccc(-c3cccs3)s2)c(C)c1
BondNum,"Please generate a molecule with 18 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1c(C)c2c(c(C)c1O)CCC(C)(CC[S+]1C=CCCC1)O2
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfide group.",Cc1[nH]cnc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1
AddComponent,Add a benzene ring to the molecule Nn1c(C2CC2)nc2cc(F)ccc21.,Nn1c(C2(c3ccccc3)CC2)nc2cc(F)ccc21
SubComponent,Substitute a halo in the molecule CC1CC(C)CC(Oc2ccc(Br)cc2C(C)[NH3+])C1 with a nitro.,CC1CC(C)CC(Oc2ccc(NO)cc2C(C)[NH3+])C1
DelComponent,Modify the molecule halo by removing a Cc1nn(C)c(NC(=O)C(C)[NH3+])c1Br.,Cc1cc(NC(=O)C(C)[NH3+])n(C)n1
LogP,Modify the molecule CCC(C)C(=O)Nc1nnc(CCNC(=O)c2cccc(Br)c2)s1 to increase its LogP value.,CCC(C)C(=O)Nc1nnc(CCNC(=O)c2cc(Br)cc(-c3ccccc3)c2)s1
MR,Please modify the molecule CCOC(=O)C[N+]1=C(CN(C)Cc2ccccc2)N=C2C1C(=O)N(C)C(=O)N2C to decrease its MR value.,CCOC(=O)C[N+]1=C(CN(C)C)N=C2C1C(=O)N(C)C(=O)N2C
QED,Optimize the molecule Cc1cc(=O)n(-c2nc(-c3ccccc3)cc(-c3cccnc3)n2)[nH]1 to have a higher QED value.,Cc1cc(=O)n(-c2nccc(-c3cccnc3)n2)[nH]1
AtomNum,"There is a molecule consisting of 18 carbon atoms, and 1 oxygen atom.",C=C1C(C(C)CCC)CC(C)C2=CC(=O)C=CC12C
BondNum,"Please generate a molecule consisting 35 single bonds, 5 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2C)CC1
FunctionalGroup,There is a molecule composed of and 2 benzene ring groups.,O=C(NC1CCN(c2ccccc2)CC1)N(Cc1ccccc1)Cc1ccco1
AddComponent,Modify the molecule Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(C)[NH+]3CCC(C(=O)NCCC(=O)Nc4c(C)cc(Br)cc4C)CC3)c2)c(F)c1 by adding a benzene ring.,Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(C)[NH+]3CCC(C(=O)NCCC(=O)Nc4c(C)cc(Br)cc4Cc4ccccc4)CC3)c2)c(F)c1
SubComponent,Please substitute a Clc1ccc2c(c1)Oc1c(Cl)c3c(c(Cl)c1=N2)Oc1cc(Cl)ccc1N=3 in the molecule halo with a thiol.,Sc1ccc2c(c1)Oc1c(Cl)c3c(c(Cl)c1=N2)Oc1cc(Cl)ccc1N=3
DelComponent,Remove a halo from the molecule O=C(NC(c1ccccc1)c1ccccc1)c1cccc(OCc2ccccc2Cl)c1.,O=C(NC(c1ccccc1)c1ccccc1)c1cccc(OCc2ccccc2)c1
LogP,Modify the molecule O=C([O-])C1CCN(C(=O)c2ccccc2O)CC1C(=O)[O-] to have a lower LogP value.,O=C([OH])c1ccccc1C(=O)N1CCC(C(=O)[O-])C(C(=O)[O-])C1
MR,Modify the molecule CC(=O)N(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(N)cc1 to increase its MR value.,CC(=O)N(C(=O)Nc1cccc(C(F)(F)S)c1)c1ccc(N)cc1
QED,Please optimize the molecule Cc1nc2ccccc2n1CC(=O)N1CCC2(CC1)OCCCC2O to have a lower QED value.,Cc1nc2ccccc2n1CC(=O)N1CCC2(CC1)OCCCC2S
AtomNum,"Please generate a molecule with 13 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CCOCC(=O)NCC1CCOC1C(C)(C)C
BondNum,"The molecule is composed of 12 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C(CC1CCCCC1)Nc1ccc(S(=O)(=O)[O-])cc1
FunctionalGroup,Please generate a molecule with and 1 halo group.,CCC(C)[NH+](CC)CC1(CBr)CCCCC1
AddComponent,Please add a carboxyl to the molecule Fc1ccc(OCCON=Cc2cccs2)cc1.,O=C(O)c1cc(F)ccc1OCCON=Cc1cccs1
SubComponent,Modify the molecule halo by substituting a CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc12 with a carboxyl.,CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCN(c4cccc(C(=O)[OH])c4)CC3)cc12
DelComponent,Modify the molecule amide by removing a CCn1c(=O)n(CCC(=O)NCC(=O)NCc2ccccc2)c2ccccc21.,CCn1c(=O)n(CCC(=O)NCc2ccccc2)c2ccccc21
LogP,Optimize the molecule CCc1ccc(Cl)c(CC)c1NC(=O)c1ccccc1OC(F)F to have a lower LogP value.,CCc1ccc(S)c(CC)c1NC(=O)c1ccccc1OC(F)F
MR,Please optimize the molecule Cc1nc(NCc2nccs2)ccc1Br to have a lower MR value.,Cc1cccc(NCc2nccs2)n1
QED,Optimize the molecule CCc1c(C)[nH]c(CSC)nc1=S to have a lower QED value.,CSCc1nc(=S)c(C(C)O)c(C)[nH]1
AtomNum,"The molecule is composed of 23 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)C1c1ccccc1
BondNum,"The molecule contains 31 single bonds, 5 double bonds, 13 rotatable bonds, and 24 aromatic bonds.",COc1ccccc1C(=O)Nc1cc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)Nc4ccc(C)cc4F)cc3C)CC2)C(C)C)ccc1F
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 hydroxyl group, 1 amine group, and 1 sulfone group.",CCCOc1ccc(S(=O)(=O)NCC(O)c2ccc(N(C)C)cc2)cc1
AddComponent,Add a hydroxyl to the molecule CCCCCCCCCCC(=O)Nc1nc2ccccc2s1.,O=C(CCCCCCCCCCO)Nc1nc2ccccc2s1
SubComponent,Substitute a halo in the molecule CC(=O)NC1CCN(c2cc(Nc3nc(C(=O)Nc4c(C)cccc4Cl)cs3)nc(C)n2)C1 with a thiol.,CC(=O)NC1CCN(c2cc(Nc3nc(C(=O)Nc4c(C)cccc4S)cs3)nc(C)n2)C1
DelComponent,Modify the molecule hydroxyl by removing a BC(CCC1C(O)CC(OC)C1CC=CCCCC(=O)[O-])OC.,BC(CCC1CCC(OC)C1CC=CCCCC(=O)[O-])OC
LogP,Please modify the molecule CNc1cc[nH+]cc1C(=O)N1CCCC(C)(OC)C1 to increase its LogP value.,COC1(C)CCCN(C(=O)c2c[nH+]ccc2NCc2ccccc2)C1
MR,Please modify the molecule N#Cc1ccc(-c2cnnc(NCc3cc(-c4ccccn4)n[nH]3)n2)c(C(F)(F)F)c1 to decrease its MR value.,FC(F)(F)c1ccccc1-c1cnnc(NCc2cc(-c3ccccn3)n[nH]2)n1
QED,Modify the molecule NC(=O)C1CC(C2CC2)CC[NH2+]1 to have a lower QED value.,C1CC(C2CC2)C[NH2+]1
AtomNum,"There is a molecule with 28 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3C)C2c2ccc(N(C)C)cc2)cc1
BondNum,"The molecule is composed of 17 single bonds, 1 double bond, 1 triple bond, and 3 rotatable bonds.",CCC(C)(C)C(=O)OC1CC2CC(C#N)C(C2)C1
FunctionalGroup,The molecule consists of and 1 amine group.,CCN(CC)c1cc(OC)nc(N)n1
AddComponent,Modify the molecule O=C([O-])CC1CS(=O)(=O)CCN1CCc1ccsc1 by adding a benzene ring.,O=C([O-])CC1CS(=O)(=O)CCN1CC(c1ccccc1)c1ccsc1
SubComponent,Substitute a CCCCC(=O)c1cc(Cl)cc(Br)c1 in the molecule halo with a thiol.,CCCCC(=O)c1cc(S)cc(Br)c1
DelComponent,Modify the molecule halo by removing a COC1CCC(N(C)C(=O)C[NH2+]CC2CCC(CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1.,COC1CCC(N(C)C(=O)C[NH2+]CC2CCC(CNC(=O)c3cc(C(F)F)cc(C(F)(F)F)c3)CC2)CC1
LogP,Please optimize the molecule OCc1cc(Br)cc2cc(I)sc12 to have a higher LogP value.,Cc1cc(Br)cc2cc(I)sc12
MR,Modify the molecule Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)c2ccc(Cl)cc2)cc1 to have a higher MR value.,CC(=O)c1ccc(C(=O)Cc2c(-c3ccc(C)cc3)nc3ccc(C)cn23)cc1
QED,Modify the molecule O=C(NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 to have a lower QED value.,O=C(NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)c1
AtomNum,"The molecule has 19 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Br)c1
BondNum,"The molecule has 15 single bonds, 2 double bonds, 8 rotatable bonds, and 10 aromatic bonds.",CC[NH2+]CCNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,COCCOCC1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)CC1
AddComponent,Modify the molecule C[NH2+]C(c1ccc(OC)cc1Br)C1CCCO1 by adding a amine.,C[NH2+]C(c1ccc(OC)cc1Br)C1(N)CCCO1
SubComponent,Modify the molecule halo by substituting a CN(CCc1ccncc1)C(=O)c1cnc(Nc2ccc(F)c(F)c2)nc1 with a aldehyde.,CC(=O)c1ccc(Nc2ncc(C(=O)N(C)CCc3ccncc3)cn2)cc1F
DelComponent,Please remove a benzene ring from the molecule C=C(C)C([NH2+]C)c1ccc(I)cc1.,C=C(C)C(I)[NH2+]C
LogP,Optimize the molecule CNC(=O)c1cccn2nc(CC#N)cc12 to have a higher LogP value.,CNC(=O)c1c(-c2ccccc2)ccn2nc(CC#N)cc12
MR,Please modify the molecule CC(C)C(=O)Nc1ccc(CNC(=O)N2CCCCC([NH+]3CCCC3)C2)cc1 to increase its MR value.,CC(C)(C(=O)Nc1ccc(CNC(=O)N2CCCCC([NH+]3CCCC3)C2)cc1)c1ccccc1
QED,Please modify the molecule COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1 to decrease its QED value.,COCNC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1
AtomNum,"There is a molecule composed of 33 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 chlorine atom, and 1 silicon atom.",C=Cc1cc(Cl)ccc1N(C(C)=O)C(=CC)C1CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
BondNum,"The molecule consists of 14 single bonds, 3 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",CCc1ccc(NC2=C(c3ccc(OC)cc3)C(=O)N(c3ccc(F)cc3F)C2=O)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, and 1 halo group.",CCC(CC)(NC(=O)c1ccc(N2CCOC2=O)cc1)c1ccc(Cl)cc1
AddComponent,Add a carboxyl to the molecule COCCOc1ccccc1NC(=O)N(C)CC1CCCO1.,COCCOc1ccccc1NC(=O)N(C)CC1CC(C(=O)O)CO1
SubComponent,Substitute a halo in the molecule Fc1ccc(N2CCCC([NH2+]C3CCCC3)C2)c(F)c1 with a thiol.,Fc1cc(S)ccc1N1CCCC([NH2+]C2CCCC2)C1
DelComponent,Remove a O=C(NCCC1=CCCC1)c1cc(I)ccc1Br from the molecule halo.,O=C(NCCC1=CCCC1)c1ccccc1Br
LogP,Modify the molecule NC(=O)C(NC(=O)C1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)c1ccccc1 to have a higher LogP value.,NC(=O)C1(c2ccccc2)CCCN(C2=NS(=O)(=O)c3ccccc32)C1
MR,Please optimize the molecule CC(C)NC(=O)C(C)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl to have a lower MR value.,CC(C)(C)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl
QED,Please modify the molecule CCOc1cc(C)nc(-c2ccccc2)n1 to decrease its QED value.,CCOc1cc(C)ncn1
AtomNum,"The molecule has 24 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",C[NH+]1C2CCC1CC(NC(=O)c1cn(-c3ccccc3)nc1-c1ccccc1)C2
BondNum,"There is a molecule with 15 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,CCOc1cc(C)c(CNC(=O)OC)cc1C
AddComponent,Modify the molecule CCn1c(CNC(=O)NC2CC(=O)N(C3CC3)C2)nc2ccccc21 by adding a hydroxyl.,CCn1c(C(O)NC(=O)NC2CC(=O)N(C3CC3)C2)nc2ccccc21
SubComponent,Modify the molecule COCC(C)(C)C12OOC1(c1cccc(O)c1)OCC2(C)C by substituting a hydroxyl with a thiol.,COCC(C)(C)C12OOC1(c1cccc(S)c1)OCC2(C)C
DelComponent,Please remove a O=C(NCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 from the molecule benzene ring.,O=C(NCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)c1cn(-c2ccccc2)nc1Cl
LogP,Modify the molecule O=C(C1=C([NH+]2CCc3ccccc3C2)C(c2ccccc2)N(Cc2ccccc2)c2cc[nH+]cc21)C1=C([NH+]2CCc3ccccc3C2)C(c2ccccc2)N(Cc2ccccc2)c2cc[nH+]cc21 to have a lower LogP value.,CN1c2cc[nH+]cc2C(C(=O)C2=C([NH+]3CCc4ccccc4C3)C(c3ccccc3)N(Cc3ccccc3)c3cc[nH+]cc32)=C([NH+]2CCc3ccccc3C2)C1c1ccccc1
MR,Optimize the molecule CC1C[NH+](CCC(O)C[NH3+])C(C)CO1 to have a lower MR value.,CC1C[NH+](CCCC[NH3+])C(C)CO1
QED,Modify the molecule Cc1cc(C)cc(-n2c(C)cc(C=C(C#N)C(=O)NCc3ccco3)c2C)c1 to have a lower QED value.,Cc1cc(C)cc(-n2c(C)cc(C=C(O)C(=O)NCc3ccco3)c2C)c1
AtomNum,"There is a molecule consisting of 12 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCCO1
BondNum,"The molecule has 25 single bonds, 6 double bonds, 9 rotatable bonds, and 16 aromatic bonds.",C=C(C(=O)NS(=O)(=O)c1cccc2cc[nH]c12)N(C(=O)C1CN(C(=O)OC(C)(C)C)CC1CCc1ccccc1)C1CC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 1 ketone group.",COc1ccc(-c2cc(C(C)=O)n(-c3ccccc3)n2)cc1
AddComponent,Add a carboxyl to the molecule OC1C[NH+](C2CCC(CNc3nc(NCc4ccccc4OC(F)(F)F)ncc3F)CC2)C1.,O=C(O)c1ccc(CNc2ncc(F)c(NCC3CCC([NH+]4CC(O)C4)CC3)n2)c(OC(F)(F)F)c1
SubComponent,Modify the molecule halo by substituting a O=C(Nc1ccccc1NCC(F)(F)F)c1ccon1 with a hydroxyl.,O=C(Nc1ccccc1NCC(O)(F)F)c1ccon1
DelComponent,Please remove a COc1cc(C(=O)OC(C)C(=O)NCc2ccco2)ccc1OC(C)C from the molecule amide.,COc1cc(C(=O)OC(C)c2ccco2)ccc1OC(C)C
LogP,Modify the molecule CCOc1ccccc1NC(=O)C(=O)Nc1ccccc1[N+](=O)[O-] to have a higher LogP value.,O=C(Nc1ccccc1OCCc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-]
MR,Modify the molecule COc1cccc(C(=O)NCC2(c3ccsc3)CCCC2)c1 to increase its MR value.,COc1cccc(C(=O)NCC2(c3ccsc3)CCC(O)C2)c1
QED,Optimize the molecule CN(CC1CC(O)C1)c1ccccc1C(N)=[NH2+] to have a lower QED value.,CN(CC1CC(S)C1)c1ccccc1C(N)=[NH2+]
AtomNum,"The molecule contains 42 carbon atoms, and 1 nitrogen atom.",Cc1ccc2c(c1)-c1cc(N(c3ccc4c(c3)-c3cc(C)ccc3C4)c3ccc4c(c3)-c3cc(C)ccc3C4)ccc1C2
BondNum,"The molecule contains 10 single bonds, 2 double bonds, 1 rotatable bond, and 6 aromatic bonds.",O=C1CC=C(c2ccc3c(c2)OCO3)CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 5 halo groups.",CC1(C)N=C(c2cc(Cl)cc(Cl)c2)OC1(Br)C(Br)Br
AddComponent,Modify the molecule CC(C)(C)OC(=O)N1CCC([NH+]2CCC(CO)CC2)CC1 by adding a benzene ring.,CC(C)(Cc1ccccc1)OC(=O)N1CCC([NH+]2CCC(CO)CC2)CC1
SubComponent,Modify the molecule halo by substituting a CCCCOCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F with a nitro.,CCCCOCCOC(F)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
DelComponent,Remove a halo from the molecule CCc1cc(OCC=C(Br)Br)cc(Cl)c1OCCCCBr.,CCc1cc(OCC=C(Br)Br)ccc1OCCCCBr
LogP,Modify the molecule COc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1 to have a lower LogP value.,COc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)c(O)c1
MR,Modify the molecule Cc1c(C(=O)NCC(C)Br)cccc1[N+](=O)[O-] to decrease its MR value.,Cc1c(C(=O)NCC(C)O)cccc1[N+](=O)[O-]
QED,Modify the molecule CS(=O)(=O)CCn1cc(N)nn1 to increase its QED value.,CS(=O)(=O)CC(c1ccccc1)n1cc(N)nn1
AtomNum,"The molecule is composed of 29 carbon atoms, 7 oxygen atoms, and 3 nitrogen atoms.",CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)c1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 6 rotatable bonds, and 26 aromatic bonds.",O=C(NCc1ccc(Br)s1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 sulfide group.",CC(C)(C)c1ccc(-c2cc(CC[NH3+])cs2)cc1
AddComponent,Modify the molecule CC1(C(=O)[O-])CCN(C(=O)C2CCCN(S(=O)(=O)Cc3ccccc3)C2)C1 by adding a benzene ring.,CC1(C(=O)[O-])CCN(C(=O)C2CCCN(S(=O)(=O)Cc3cccc(-c4ccccc4)c3)C2)C1
SubComponent,Substitute a CC(C)CN(c1nc(Cl)nc2[nH]ncc12)C(C)C in the molecule halo with a aldehyde.,CC(=O)c1nc(N(CC(C)C)C(C)C)c2cn[nH]c2n1
DelComponent,Remove a halo from the molecule O=C1CC(c2ccc(Cl)cc2Cl)c2c(c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc23)O1.,O=C1CC(c2ccccc2Cl)c2c(c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc23)O1
LogP,Please optimize the molecule C#CC(NN)c1ccc(Br)cc1Cl to have a lower LogP value.,C#CC(NN)c1ccc(NO)cc1Cl
MR,Please optimize the molecule CCCCN(C1CC1)C(C[NH3+])c1ccc(C)c(Cl)c1 to have a higher MR value.,CCCCN(C1CC1)C(C[NH3+])c1ccc(C)c(NO)c1
QED,Please optimize the molecule CCOc1ccc(CNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 to have a higher QED value.,CCOc1ccc(CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1
AtomNum,"There is a molecule with 10 carbon atoms, 5 nitrogen atoms, and 3 fluorine atoms.",CC(C)c1c(C(F)(F)F)cc2nc(N)nn2c1N
BondNum,"Please generate a molecule with 12 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",O=C(NCc1ccc(F)cc1Cl)OC1CCOc2ncccc21
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfone group.",CCC(C)NS(=O)(=O)c1cc(OC)c(OC)cc1F
AddComponent,Add a benzene ring to the molecule C[NH+](C)CCCNS(=O)(=O)Cc1cccc(Cl)c1.,C[NH+](C)CCCNS(=O)(=O)Cc1ccc(-c2ccccc2)c(Cl)c1
SubComponent,Please substitute a O=C(N1CCC[NH+](CCOCCO)CC1)C12CC3CC(CC(C3)C1)C2 in the molecule hydroxyl with a aldehyde.,CC(=O)CCOCC[NH+]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
DelComponent,Modify the molecule benzene ring by removing a COC(=O)NC(C(=O)N1CC(F)CC1C1=[NH+]C(=O)C2C=C(c3ccc(-c4ccc(-c5c[nH+]c(C6CC(F)CN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)cc4)c4c3CC3(CCCCC3)C4)C=CC2=N1)C(C)C.,COC(=O)NC(C(=O)N1CC(F)CC1C1=[NH+]C(=O)C2C=C(c3ccc(-c4c[nH+]c(C5CC(F)CN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)c4c3CC3(CCCCC3)C4)C=CC2=N1)C(C)C
LogP,Optimize the molecule O=CC(=O)Nc1cccc(Cl)c1Cl to have a lower LogP value.,O=CC(=O)N(Cl)Cl
MR,Optimize the molecule COc1cc(NC2=[NH+]CCN2)c(Br)cc1Br to have a lower MR value.,COc1cc(C2=[NH+]CCN2)c(Br)cc1Br
QED,Modify the molecule CC[NH2+]CC(C(C)C)N(C)Cc1csc(C)n1 to have a higher QED value.,CC[NH2+]CC(C(C)C)N(C)Cc1nc(C)sc1-c1ccccc1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 3 oxygen atoms, and 1 chlorine atom.",CCCOc1ccccc1Oc1ccc(C(C)O)c(Cl)c1
BondNum,"The molecule has 10 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCC[NH2+]C(Cc1ccc(Cl)cc1)Cc1sccc1Br
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 2 halo groups.",CN1CC[NH2+]CC1C(=O)Nc1ccc(F)c(F)c1
AddComponent,Please add a hydroxyl to the molecule COC(=O)c1ccc(COC(=O)CSc2ccc(Br)cc2)cc1.,COC(=O)c1ccc(COC(=O)CSc2ccc(Br)cc2)c(O)c1
SubComponent,Please substitute a hydroxyl in the molecule CC(C)(CO)SC1C[NH2+]C1 with a nitro.,CC(C)(CNO)SC1C[NH2+]C1
DelComponent,Remove a benzene ring from the molecule Brc1cc(-c2ccc(OC3CC3)cc2)nc(C2CC2)n1.,Brc1cc(OC2CC2)nc(C2CC2)n1
LogP,Modify the molecule CCCCCCCCCC(C)(C)c1ccc(C2CCCC(=O)C2)c(O)c1 to have a higher LogP value.,CCCCCCCCCC(C)(C)c1ccc(C2CCCC(=O)C2)c(S)c1
MR,Modify the molecule CC(C)Nc1ccc(C(=O)Nc2cccc(Cl)c2Cl)nn1 to decrease its MR value.,CC(C)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)nn1
QED,Please modify the molecule CCCc1[nH+]ccn1CC(C#N)(NC(C)C)C1CC1 to decrease its QED value.,CCCc1[nH+]ccn1CC(NO)(NC(C)C)C1CC1
AtomNum,"The molecule is composed of 8 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC1CNC(=O)N(CCC#N)C1=O
BondNum,"The molecule is composed of 11 single bonds, and 1 triple bond.",CC1(C#N)CCCNC12CC2
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,CC(C)([NH2+]Cc1nc(Cc2ccccc2)no1)C1CC1
AddComponent,Modify the molecule CCCCN(C)c1ccc(C(=O)NC(C)(C[NH3+])C(C)C)cc1 by adding a hydroxyl.,CCC(O)CN(C)c1ccc(C(=O)NC(C)(C[NH3+])C(C)C)cc1
SubComponent,Modify the molecule halo by substituting a COC(=O)c1cc(Cl)ccc1NC(c1cccs1)C(C)C with a hydroxyl.,COC(=O)c1cc(O)ccc1NC(c1cccs1)C(C)C
DelComponent,Please remove a amide from the molecule CCC[NH2+]C1CCCN(C(=O)c2c(C)cc(C)cc2C)C1.,CCC[NH2+]C1CCCc2(C)cc(C)cc(C)C12
LogP,Modify the molecule CSCCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 to have a higher LogP value.,CSCC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1
MR,Modify the molecule C[NH+]=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCCSc1ccccc1 to have a lower MR value.,C[NH+]=C(NCCS)NCCC[NH+]1CCN(c2ncccn2)CC1
QED,Please modify the molecule Cc1ccc(C)c(OCCC(C[NH3+])c2ccc(F)cc2)c1 to decrease its QED value.,Cc1ccc(C)c(OCCC(C[NH3+])c2ccc(C(=O)[OH])cc2)c1
AtomNum,"There is a molecule with 22 carbon atoms, 4 oxygen atoms, 2 sulfur atoms, and 1 chlorine atom.",O=C([O-])C(CCSc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
BondNum,"The molecule consists of 19 single bonds, 1 double bond, 12 rotatable bonds, and 12 aromatic bonds.",CCOc1ncc(Nc2cc(C(C)(C)CC(=O)[O-])ccc2N(CC)C(CC)CC)cn1
FunctionalGroup,"The molecule contains 1 amide group, and 1 amine group.",Cc1nn(C)cc1C(=O)N1Cc2ccccc2NCCC2CCC(C1)[NH+]2C(C)C
AddComponent,Modify the molecule CC(=O)c1csc(N2C3CCC2CC3)n1 by adding a benzene ring.,CC(=O)c1csc(N2C3CCC2C(c2ccccc2)C3)n1
SubComponent,Substitute a halo in the molecule CCc1ccccc1-c1cccc(C(C(N)=O)c2c(Cl)cccc2Cl)n1 with a carboxyl.,CCc1ccccc1-c1cccc(C(C(N)=O)c2c(Cl)cccc2C(=O)[OH])n1
DelComponent,Remove a CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OCC)c1 from the molecule nitrile.,CCOC(=O)C=Cc1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OCC)c1
LogP,Optimize the molecule C[NH+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1Br to have a lower LogP value.,C[NH+](CC(=O)NC(=O)NCC(F)F)Cc1ccccc1Br
MR,Optimize the molecule CCOc1ccccc1C(=O)N1CCC(N2C(=O)CNC2=O)CC1 to have a higher MR value.,CCOc1cc(C(=O)O)ccc1C(=O)N1CCC(N2C(=O)CNC2=O)CC1
QED,Modify the molecule COc1nc(Cl)ncc1Nc1ccccc1 to decrease its QED value.,COc1ncncc1Nc1ccccc1
AtomNum,"The molecule contains 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",CCOC(=O)C(CC)c1cnccc1C(F)(F)F
BondNum,"Please generate a molecule composed of 17 single bonds, 1 double bond, and 4 rotatable bonds.",C[NH2+]C(C)(CN1CCN2CCCC2C1)C(N)=O
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, 1 nitro group, and 1 halo group.",CC(C)n1c(CO)nnc1-c1cc(Cl)cc([N+](=O)[O-])c1
AddComponent,Please add a carboxyl to the molecule CCN(CC)C(N)=[NH+]CC(C)(C)C1CCCC1.,CCN(CC)C(N)=[NH+]CC(C)(C)C1CCCC1C(=O)O
SubComponent,Modify the molecule nitrile by substituting a Cc1cccc(OCCC(C#N)c2cccc(N(C)C)c2)c1 with a thiol.,Cc1cccc(OCCC(S)c2cccc(N(C)C)c2)c1
DelComponent,Modify the molecule CC(C)CC([NH3+])C(=O)NC(CC(=O)[O-])C(=O)NC(CCC[NH+]=C(N)N)C(=O)NCC(=O)[O-] by removing a amine.,CC(C)CC([NH3+])C(=O)NC(CC(=O)[O-])C(=O)NC(CCCC(N)N)C(=O)NCC(=O)[O-]
LogP,Optimize the molecule O=C(NC1CCCC[NH2+]C1)c1cc(Cl)cc(Cl)c1 to have a lower LogP value.,O=C(NC1C[NH2+]CCCC1S)c1cc(Cl)cc(Cl)c1
MR,Modify the molecule CCC[NH2+]C(COC)Cn1cc(-c2ccccc2)cn1 to have a higher MR value.,COCC(Cn1cc(-c2ccccc2)cn1)[NH2+]CC(C)CC=O
QED,Please optimize the molecule CC(=O)NC12C[NH2+]CCC1C(c1ccccc1)N(C(=O)C1(c3ccc(Cl)cc3)CCCC1)C2 to have a higher QED value.,CC(=O)NC12C[NH2+]CCC1C(c1ccccc1)N(C(=O)C1(Cl)CCCC1)C2
AtomNum,"There is a molecule with 13 carbon atoms, 4 nitrogen atoms, and 2 fluorine atoms.",CC(C)[NH2+]Cc1cccn1Cc1nccn1C(F)F
BondNum,"The molecule consists of 11 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(-c2cc(C(=O)NCC3(O)CCC3)on2)cc1
FunctionalGroup,"The molecule has 1 amide group, and 1 amine group.",CCC(C(=O)[O-])N1C(=O)C(C)(C)Cc2ccc(N)cc21
AddComponent,Modify the molecule COc1ccccc1OCCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 by adding a amine.,COc1ccccc1OC(N)CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1
SubComponent,Substitute a CCOC(=O)C1CCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccccc5Cl)n4)c(=O)n23)CC1 in the molecule halo with a aldehyde.,CC(=O)c1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)N4CCC(C(=O)OCC)CC4)n3c2=O)cc1C
DelComponent,Modify the molecule CCCCOc1cc(C(=O)CI)cc(OCCCC)c1OCCCC by removing a halo.,CCCCOc1cc(C(C)=O)cc(OCCCC)c1OCCCC
LogP,Modify the molecule Cc1cc(C)cc(CC2(CBr)CC3CC3C2)c1 to decrease its LogP value.,Cc1cc(C)cc(CC2(C)CC3CC3C2)c1
MR,Please optimize the molecule O=C([O-])C(=O)CCCCCOc1ccc(-c2ccccc2)cc1 to have a lower MR value.,O=C([O-])C(=O)CCCCCOc1ccccc1
QED,Modify the molecule C=CCCC(COC1CCCCO1)(c1ccccc1)c1ccccc1 to have a higher QED value.,C=CCCC(COC1CCCCO1)c1ccccc1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",CCCNC(=O)C(C)OC(=O)CNC(=O)c1cccc(Br)c1
BondNum,"There is a molecule consisting of 11 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCN(C(=O)CN(c1c(F)cccc1F)S(C)(=O)=O)c1ccccc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 aldehyde group, and 1 halo group.",COc1cc(Cl)cc(C=O)c1OCCC1CCCC[NH+]1C
AddComponent,Modify the molecule CCc1nc(-c2ccoc2C)nc2c1C[NH2+]C2 by adding a hydroxyl.,CCc1nc(-c2ccoc2C)nc2c1C[NH2+]C2O
SubComponent,Modify the molecule hydroxyl by substituting a C=CC(=CCCCC1(CO)CC[NH2+]CC1)C[NH3+] with a nitrile.,C=CC(=CCCCC1(CC#N)CC[NH2+]CC1)C[NH3+]
DelComponent,Modify the molecule hydroxyl by removing a C=CCC(CCCC)(CC(=C)O)OC(=O)C(C)(CC(C)C)C(C)C.,C=CCC(CC=C)(CCCC)OC(=O)C(C)(CC(C)C)C(C)C
LogP,Modify the molecule O=C([O-])c1ccn2c(-c3ccccc3)nc(Cl)c2c1 to decrease its LogP value.,O=C([O-])c1ccn2c(-c3ccccc3)nc(C(=O)[OH])c2c1
MR,Modify the molecule NNc1ccncc1C(=O)Nc1cc(Cl)ccc1F to increase its MR value.,NNc1c(O)cncc1C(=O)Nc1cc(Cl)ccc1F
QED,Please optimize the molecule Cc1cc(C)c(C#N)c(SC2=C(Nc3ccc(C(F)(F)F)cc3)C(=O)N(c3cc(Cl)ccc3C)C2=O)n1 to have a lower QED value.,Cc1cc(C)c(F)c(SC2=C(Nc3ccc(C(F)(F)F)cc3)C(=O)N(c3cc(Cl)ccc3C)C2=O)n1
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC[NH2+]Cc1ccc(COc2ccccc2OCC)s1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cc(F)c(C([NH3+])CC(=O)[O-])cc1Cl
FunctionalGroup,"The molecule has 2 benzene ring groups, and 1 amide group.",O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cnc3ccccc32)cc1
AddComponent,Add a aldehyde to the molecule Cc1ccsc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O.,Cc1cc(CC=O)sc1C=C1Oc2cc(OC(=O)C(C)C)ccc2C1=O
SubComponent,Substitute a hydroxyl in the molecule COc1ccc2c(c1)C1(OC(CCn3cc(C(CO)c4ccccc4)nn3)C([Si](C)(C)O)C1C)C(=O)N2Cc1ccc(N2C(=O)COc3ccccc32)cc1 with a thiol.,COc1ccc2c(c1)C1(OC(CCn3cc(C(CS)c4ccccc4)nn3)C([Si](C)(C)O)C1C)C(=O)N2Cc1ccc(N2C(=O)COc3ccccc32)cc1
DelComponent,Modify the molecule CCCC(CCO)[NH+]1CCCC(O)C1 by removing a hydroxyl.,CCCC(CC)[NH+]1CCCC(O)C1
LogP,Please modify the molecule C[NH+](C)C1(c2ccc(F)cc2)CCC2(CC1)[NH2+]CCc1c2[nH]c2ccccc12 to decrease its LogP value.,C[NH+](C)C1(c2ccc(F)cc2)CCC2([NH2+]CCc3c2[nH]c2ccccc32)C(O)C1
MR,Optimize the molecule O=c1c(Cl)cn(Cc2ccccc2)c(=O)n1Cc1ccccc1 to have a higher MR value.,O=c1c(Cl)cn(Cc2ccccc2)c(=O)n1Cc1cccc(-c2ccccc2)c1
QED,Please modify the molecule O=C(Cn1cnc2c(cc(-c3ccccc3)n2-c2ccc(F)cc2)c1=O)c1ccccc1 to increase its QED value.,N#Cc1ccc(-n2c(-c3ccccc3)cc3c(=O)n(CC(=O)c4ccccc4)cnc32)cc1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 1 oxygen atom, and 3 fluorine atoms.",OC(c1ccccc1)(c1cccc2ccccc12)C(F)(F)F
BondNum,"There is a molecule composed of 10 single bonds, 3 double bonds, 8 rotatable bonds, and 28 aromatic bonds.",Nc1c(N(Cc2ccco2)C(=O)COc2ccc3ccccc3c2)c(=O)[nH]c(=O)n1Cc1ccccc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, and 1 halo group.",COc1cc(Nc2[nH]cnc(=O)c2Cl)cc(OC)c1
AddComponent,Modify the molecule CCOC(=O)c1cccc2nc(N)n(C)c12 by adding a hydroxyl.,Cn1c(N)nc2cccc(C(=O)OCCO)c21
SubComponent,Modify the molecule Cc1cc(Cl)ccc1OCn1ccc(C(=O)Nc2cnn(COc3cccc(Cl)c3)c2)n1 by substituting a halo with a carboxyl.,Cc1cc(C(=O)[OH])ccc1OCn1ccc(C(=O)Nc2cnn(COc3cccc(Cl)c3)c2)n1
DelComponent,Please remove a CC(C)C(=O)Nc1nc(=O)c2ncn(C3OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)c2[nH]1 from the molecule amide.,CCc1nc(=O)c2ncn(C3OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)c2[nH]1
LogP,Modify the molecule CC(C)[NH2+]Cc1ccc(Cl)cc1-c1cc(F)cc(F)c1 to have a lower LogP value.,CC(C)[NH2+]Cc1ccc(C(=O)[OH])cc1-c1cc(F)cc(F)c1
MR,Please modify the molecule COCCN(CCOC)C(=O)N1CC[NH+](Cc2ccccc2)CC1 to increase its MR value.,COCCN(CCOC)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1
QED,Please modify the molecule CC1C[NH2+]CCN1C(=O)NCC1CC(F)(F)C1 to decrease its QED value.,CC1C[NH2+]CCN1C(=O)NCC1CC(F)C1
AtomNum,"The molecule consists of 21 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCOC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)c1
BondNum,"There is a molecule composed of 16 single bonds, 2 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",O=C(NCC(=O)N1CCCCC1)Nc1scnc1C1CC1
FunctionalGroup,The molecule consists of and 1 hydroxyl group.,CC(C)(C)OC(=O)NCC[NH2+]Cc1cn(CCO)nn1
AddComponent,Add a nitrile to the molecule CCCS(=O)(=O)NC1CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1.,CC(C#N)CS(=O)(=O)NC1CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1
SubComponent,Substitute a halo in the molecule CNC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[NH2+]CC2 with a carboxyl.,CNC(=O)C1CN(S(=O)(=O)c2ccc3cc(C(=O)[OH])ccc3c2)CCN1C(=O)c1nc2c(s1)C[NH2+]CC2
DelComponent,Remove a amide from the molecule O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)NCCC1=CCCCC1.,O=C1N(CCC2=CCCCC2)CCN1c1ccc2c(c1)OCO2
LogP,Modify the molecule O=C(CCCc1ccccc1Br)c1ccc(Oc2cc3c(cc2Cl)C(C(=O)[O-])CCO3)cc1 to decrease its LogP value.,O=C(CCCc1ccccc1)c1ccc(Oc2cc3c(cc2Cl)C(C(=O)[O-])CCO3)cc1
MR,Modify the molecule CC(NC(=O)N1CCCN(c2ccc(F)cc2)CC1)c1nc(C2CC2)no1 to increase its MR value.,CC(NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)c1nc(C2CC2)no1
QED,Optimize the molecule CCCCC(=O)NCC1([NH2+]C(C)c2ccccc2)CCOCC1 to have a higher QED value.,CCCCC1([NH2+]C(C)c2ccccc2)CCOCC1
AtomNum,"There is a molecule composed of 8 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 4 fluorine atoms.",NC(=O)Cn1cc(NC(=O)C(F)(F)C(F)F)cn1
BondNum,"Please generate a molecule composed of 12 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",COc1cc(F)c(C(=O)C2COC(C)C2)c(F)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amide groups, and 1 amine group.",CC(C)CC(=O)NC(=S)Nc1ccc(C(=O)NC(C)C)cc1
AddComponent,Modify the molecule COc1ccc2c(c1)C(c1cccs1)c1ccccc1O2 by adding a benzene ring.,COc1ccc2c(c1)C(c1ccc(-c3ccccc3)s1)c1ccccc1O2
SubComponent,Please substitute a halo in the molecule O=c1c2c(C(F)(F)F)cccc2oc2ccc3ccc(C(F)(F)F)cc3c12 with a aldehyde.,CC(=O)C(F)(F)c1cccc2oc3ccc4ccc(C(F)(F)F)cc4c3c(=O)c12
DelComponent,Remove a Cc1cnc(N2C(=O)C(C)SC2c2ccc(F)cc2)s1 from the molecule halo.,Cc1cnc(N2C(=O)C(C)SC2c2ccccc2)s1
LogP,Optimize the molecule Brc1cnc2nc(CNc3nc4ccccc4o3)[nH]c2c1 to have a lower LogP value.,O=C([OH])c1cnc2nc(CNc3nc4ccccc4o3)[nH]c2c1
MR,Modify the molecule COc1ccc(C2=NN(C3=[NH+]C(=O)CS3)C(c3cc4ccccc4nc3Cl)C2)cc1 to have a lower MR value.,COc1ccc(C2=NN(CS)C(c3cc4ccccc4nc3Cl)C2)cc1
QED,Please optimize the molecule O=C(NCCOc1ccc(Cl)cn1)C1CCS(=O)(=O)C1 to have a lower QED value.,CC(=O)c1ccc(OCCNC(=O)C2CCS(=O)(=O)C2)nc1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 4 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",Nc1cccc(CCSc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1
BondNum,"Please generate a molecule composed of 9 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",CC(NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1)c1nccs1
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,CN1Cc2c(NC(=O)N3CCOC4(CCC4)C3)cccc2C1=O
AddComponent,Add a amine to the molecule CCCCCCN(OC1C(OP(OCCC#N)N(C(C)C)C(C)C)C(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)OC1n1ccc(=O)[nH]c1=O)C(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21.,COc1ccc(C(OCC2OC(n3ccc(=O)[nH]c3=O)C(ON(CCCCC(C)N)C(=O)CCCCCNC(=O)CCCCC3SCC4NC(=O)NC43)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
SubComponent,Please substitute a hydroxyl in the molecule Cc1ccc(O)c(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1 with a halo.,Cc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1
DelComponent,Remove a COc1cc(NC(=O)NC(Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(N(C)C)cc3)s2)cc(OC)c1 from the molecule benzene ring.,COc1cc(NC(=O)NC(C)C(=O)Nc2nnc(-c3ccc(N(C)C)cc3)s2)cc(OC)c1
LogP,Please modify the molecule Cc1ccc(C(=O)NC2(CBr)CCC(C)CC2)c(Cl)c1 to decrease its LogP value.,Cc1ccc(C(=O)NC2(CNO)CCC(C)CC2)c(Cl)c1
MR,Modify the molecule CC(C)(C)C(=O)OCC1OC(Oc2ccc(CCC(=O)OCc3ccccc3)cc2)C(O)C(OC(=O)C(C)(C)C)C1O to have a lower MR value.,CC(C)(C)C(=O)OCC1OC(Oc2ccc(CCC(=O)OCc3ccccc3)cc2)CC(OC(=O)C(C)(C)C)C1O
QED,Please modify the molecule [NH3+]CCn1cnc(C(=O)NCC2(O)CCC2)c1 to increase its QED value.,[NH3+]CCn1cnc(C(=O)NCC2CCC2)c1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CCCCCCCCN(OC(=O)c1ccccc1)C(=O)C=CC(=O)OC
BondNum,"Please generate a molecule with 11 single bonds, 3 double bonds, 8 rotatable bonds, and 22 aromatic bonds.",Cc1ccc(S(=O)(=O)CCCC(=O)N(Cc2ccccn2)c2nc3c(C)cccc3s2)cc1
FunctionalGroup,"Please generate a molecule composed of 2 amine groups, and 1 sulfide group.",COC1(C(NN)c2ccc(C)s2)CCC(C)(C)CC1
AddComponent,Please add a benzene ring to the molecule Cc1cccc(NC(N)=[NH+]CCC(=O)N2CCCCC2)c1.,NC(Nc1cccc(Cc2ccccc2)c1)=[NH+]CCC(=O)N1CCCCC1
SubComponent,Substitute a halo in the molecule CC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O with a thiol.,CC(C(=O)NC(C)(C)C)N(Cc1ccc(S)cc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O
DelComponent,Modify the molecule halo by removing a Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1.,Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1
LogP,Please modify the molecule CCC(C)C(CC(=O)c1cc2cccc(F)c2[nH]1)C(=O)N1CC2CC1CN2C(=O)c1nc2ccccc2[nH]1 to increase its LogP value.,CCC(C)C(CC(=O)c1cc2cccc(S)c2[nH]1)C(=O)N1CC2CC1CN2C(=O)c1nc2ccccc2[nH]1
MR,Modify the molecule CCOc1cc(C=C2NC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1OCc1cccc(C)c1 to decrease its MR value.,CCOc1cc(C=C2NC(=O)N(Cc3cccc(C)c3)C2=O)c(NO)cc1OCc1cccc(C)c1
QED,Optimize the molecule CC1CN(C(=O)CCCc2cccs2)CCO1 to have a lower QED value.,CC1CC(CCc2cccs2)CO1
AtomNum,"The molecule consists of 15 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",CCOC(=O)C([NH+]=CN(C)C)c1cc(C)c(OC)c(Br)c1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",CN(CC1CCCCC1O)C(=O)c1coc(Br)c1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 halo group, and 1 sulfone group.",Cc1cc(C)cc(N(C(C)C(=O)[O-])S(=O)(=O)c2ccc(F)cc2)c1
AddComponent,Modify the molecule CCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1 by adding a amine.,CCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)c(N)c2)C1
SubComponent,Modify the molecule OC(C[NH+]1CCC2(C=Cc3ccccc3O2)CC1)c1ccc(F)cc1 by substituting a hydroxyl with a halo.,Fc1ccc(C(F)C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cc1
DelComponent,Please remove a benzene ring from the molecule Cc1cc2c(c(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)c1)CCCC2.,Cc1cc2c(c(NC(=O)NS(=O)(=O)C(C)(C)C)c1)CCCC2
LogP,Please modify the molecule Cc1cc2ccccc2n1CC(=O)NC(C)c1cccc(Cl)c1 to decrease its LogP value.,Cc1cc2ccccc2n1CC(=O)NC(C)c1cccc(C#N)c1
MR,Optimize the molecule COc1ccccc1CC(=O)N1CC2CC(C)CC(O)(c3ccccc3OC)C2C1 to have a lower MR value.,COc1ccccc1CC(=O)N1CC2CC(C)CC(c3ccccc3OC)C2C1
QED,Please modify the molecule CC(C)C(=O)N1CCC(CNC(=O)c2ccno2)CC1 to decrease its QED value.,CC(C)C(=O)N1CCC(CNC(=O)c2ccno2)(c2ccccc2)CC1
AtomNum,"The molecule has 56 carbon atoms, 1 nitrogen atom, and 2 fluorine atoms.",Fc1ccc(N(c2ccc(F)cc2)c2ccc3cc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc3c2)cc1
BondNum,"The molecule has 5 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(NC(=O)c2ccc(Br)nc2)nc1
FunctionalGroup,The molecule consists of and 4 halo groups.,Cc1nc(F)cc(F)c1C(F)F
AddComponent,Please add a benzene ring to the molecule Nc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1Cl.,Nc1c(Cl)cc(C(=O)Nc2ccc(F)c(Br)c2)cc1-c1ccccc1
SubComponent,Modify the molecule CNc1ccc(S(=O)(=O)N2CCSCC2C)c([N+](=O)[O-])c1 by substituting a nitro with a thiol.,CNc1ccc(S(=O)(=O)N2CCSCC2C)c([SH]=O)c1
DelComponent,Please remove a C=C(C)COc1cc(C(C)=O)c2c(=O)c(C)c(-c3ccccc3)oc2c1 from the molecule benzene ring.,C=C(C)COc1cc(C(C)=O)c2c(=O)c(C)coc2c1
LogP,Modify the molecule CCC(CC)(c1ccc(CNCCS(C)(=O)=O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 to have a lower LogP value.,CCC(CC)(COCC(=O)C(C)(C)C)c1ccc(CNCCS(C)(=O)=O)c(C)c1
MR,Modify the molecule COCC1CCCN(C(C[NH3+])c2ccc(F)cc2Br)C1 to have a higher MR value.,COCC1CCCN(C(C[NH3+])c2ccc(NO)cc2Br)C1
QED,Modify the molecule O=C(N1CCC(O)(c2ccccc2CO)C1)C1(c2ccc(Cl)cc2)CC1 to have a higher QED value.,N#Cc1ccc(C2(C(=O)N3CCC(O)(c4ccccc4CO)C3)CC2)cc1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 4 fluorine atoms, and 2 chlorine atoms.",O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1c(F)cccc1Cl
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]C1(C(=O)[O-])CCC(Sc2ccncn2)C1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 halo group.",C[NH+]1CC(=O)NC1NC(=O)Nc1cccc(Cl)c1
AddComponent,Add a hydroxyl to the molecule CCC(CCO)[NH2+]Cc1cn(C)nc1-c1ccncc1.,CCC(CCO)[NH2+]Cc1cn(C)nc1-c1ccnc(O)c1
SubComponent,Substitute a halo in the molecule COc1ccccc1C=CC(=O)N(C)CC(=O)Nc1cccc(F)c1 with a aldehyde.,CC(=O)c1cccc(NC(=O)CN(C)C(=O)C=Cc2ccccc2OC)c1
DelComponent,Please remove a amine from the molecule Cc1ccc(NC(=O)Cn2cnc3c2CCCC3)cc1N.,Cc1ccc(NC(=O)Cn2cnc3c2CCCC3)cc1
LogP,Please modify the molecule CC(C)Oc1ccc(C[NH2+]CC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1 to increase its LogP value.,CC(C)Oc1ccc(C[NH2+]CC(=O)Nc2ccc(C(=O)NCc3ccccc3)c(-c3ccccc3)c2)cc1
MR,Modify the molecule CN=C(C)C(=C[NH3+])c1ccc([NH+]=C(N)C2=C([NH2+]C3CCOC3)CCN(C(C)=O)C2)c(F)c1 to have a higher MR value.,CN=C(C)C(=C[NH3+])c1ccc([NH+]=C(N)C2=C([NH2+]C3CCOC3)CCN(C(C)=O)C2)c(C#N)c1
QED,Modify the molecule CCn1c(C)c(C(=O)C(C)N(CCC(C)C)C(=O)c2ccco2)c(C)c1C(=O)OC to increase its QED value.,CCn1c(C)c(C(=O)C(C)N(CCC(C)C)C(=O)c2ccco2)c(CO)c1C(=O)OC
AtomNum,"There is a molecule with 18 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2nc3ccccc3o2)CC1
BondNum,"The molecule contains 11 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCNc1nc(Cl)nc(NCCOC(C)C)n1
FunctionalGroup,"The molecule is composed of 2 hydroxyl groups, and 2 ester groups.",CCCCCC(C)CCOC(=O)CCC1c2nc(cc3[nH]c(cc4nc(cc5[nH]c6c2C(C(=O)OC)C(O)=c6c5C)C(CC)C4C)c(=C(C)O)c3C)C1C
AddComponent,Add a carboxyl to the molecule Cc1ncc(Br)cc1N1CCN(C)S1(=O)=O.,Cc1ncc(Br)cc1N1CCN(CC(=O)O)S1(=O)=O
SubComponent,Modify the molecule halo by substituting a CCCC(Br)CNC(=O)C(CC)CC with a nitro.,CCCC(CNC(=O)C(CC)CC)NO
DelComponent,Remove a COc1ccc2[nH]cc(CC(=O)NC3(CO)CCCC3)c2c1 from the molecule amide.,COc1ccc2[nH]cc(C3(CO)CCCC3)c2c1
LogP,Optimize the molecule C[NH+]=C(NCc1ccccc1-n1nc(C)cc1C)NCC1C[NH+](CC(C)C)CCO1 to have a lower LogP value.,C[NH+]=C(NCC1C[NH+](CC(C)C)CCO1)NCn1nc(C)cc1C
MR,Please optimize the molecule CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)C2c2ccc([N+](=O)[O-])o2)cc1 to have a higher MR value.,CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccccc3)C2c2ccc([N+](=O)[O-])o2)cc1
QED,Modify the molecule C=CCC1C=C(F)C=CCn2c(c[nH+]c2SCc2ccc(S(N)(=O)=O)cc2Cl)C1(C)c1cc(Cl)c(OC)c(Cl)c1 to have a lower QED value.,C=CCC1C=C(F)C=CCn2c(c[nH+]c2SCc2ccc([SH](=O)=O)cc2Cl)C1(C)c1cc(Cl)c(OC)c(Cl)c1
AtomNum,"The molecule contains 26 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CC(C)(C)c1ccc(-c2nnc(SCc3nc4ccccc4o3)n2-c2ccccc2)cc1
BondNum,"There is a molecule with 16 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccc(CNC(=O)NCC(=O)N2CC[NH+](C)CC2)cc1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ester group, 1 amide group, 1 nitro group, and 2 halo groups.",CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N(C)Cc1c(F)cccc1Cl
AddComponent,Modify the molecule C=C(C)C1CCC2C3CC=C4CC(=O)CCC4(C)C3CCC12C by adding a hydroxyl.,C=C(C)C1CCC2C3CC=C4CC(=O)C(O)CC4(C)C3CCC12C
SubComponent,Substitute a halo in the molecule Cc1nn(C2COC2)c2c(Br)cc(Br)nc12 with a nitro.,Cc1nn(C2COC2)c2c(NO)cc(Br)nc12
DelComponent,Please remove a hydroxyl from the molecule CCOc1cc(C2c3sc(=O)n(CC(=O)N4CCCCC4)c3SC3C(=O)N(C(N)=O)C(=O)C32)ccc1O.,CCOc1cccc(C2c3sc(=O)n(CC(=O)N4CCCCC4)c3SC3C(=O)N(C(N)=O)C(=O)C32)c1
LogP,Please modify the molecule CCOC(=O)CSCC(O)C(CC1CCCCC1)N(C(=O)C([NH3+])Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C to decrease its LogP value.,CCOC(=O)CSCC(O)C(CC1CCCCC1)N(C(=O)C([NH3+])Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)C(C)NC(=O)OC(C)(C)C
MR,Modify the molecule COC(=O)c1ccc(C=CC(=O)NCCN2C(=O)SC(=Cc3ccc(C)cc3)C2=O)cc1 to decrease its MR value.,COC(=O)c1ccc(C=CC(=O)NCCC(SC=O)c2ccc(C)cc2)cc1
QED,Optimize the molecule Cc1cc(CN(C)C(=O)C[NH+]2CCN(C)C(=O)C2)no1 to have a lower QED value.,Cc1cc(CN(C)C(=O)C[NH+]2CC2C)no1
AtomNum,"The molecule contains 21 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)(C)c1cc(C[NH3+])cc(OC2CC[NH+](Cc3ccccc3)C2)n1
BondNum,"There is a molecule composed of 9 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cc1cc(Br)c(NCc2c(C)nn(C)c2Cl)cc1Cl
FunctionalGroup,"The molecule has 2 benzene ring groups, and 5 amide groups.",O=C(C=Cc1ccc(N2C(=O)C=CC2=O)cc1)Nc1ccc(N2C(=O)C=CC2=O)cc1
AddComponent,Modify the molecule C=CCC(O)c1cc(C)cnc1N by adding a benzene ring.,C=CCC(O)c1cc(Cc2ccccc2)cnc1N
SubComponent,Modify the molecule hydroxyl by substituting a Cc1cc(C)cc(C(O)CN2CCS(=O)(=O)C(C)(C)C2)c1 with a nitrile.,Cc1cc(C)cc(C(C#N)CN2CCS(=O)(=O)C(C)(C)C2)c1
DelComponent,Remove a benzene ring from the molecule COc1cccc(-c2noc(C[NH+]3CCN(c4ccccn4)CC3)n2)c1.,COc1noc(C[NH+]2CCN(c3ccccn3)CC2)n1
LogP,Optimize the molecule COC(=O)CC(c1cccc2cccnc12)C1C(C)NNC1O to have a higher LogP value.,COC(=O)CC(c1cccc2cccnc12)C1C(C)NC1O
MR,Optimize the molecule Cc1ccc(C2=NC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)NC2=O)cc1 to have a higher MR value.,Cc1ccc(C2=NC3(CCN(S(=O)(=O)C(O)c4ccccc4)CC3)NC2=O)cc1
QED,Please modify the molecule COc1cc(C=NNc2nc(=O)c(C(C)(C)C)n[nH]2)cc([N+](=O)[O-])c1[O-] to decrease its QED value.,COc1cc(C=NNc2nc(=O)c(C(C)(C)C)n[nH]2)cc([SH]=O)c1[O-]
AtomNum,"The molecule has 36 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 silicon atom.",CC[Si](CC)(Oc1ccc(Nc2ccc3ccccc3c2)cc1)Oc1ccc(Nc2ccc3ccccc3c2)cc1
BondNum,"The molecule has 13 single bonds, 4 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 halo group, 2 thioether groups, and 1 sulfide group.",O=C(NC1CCCC1)c1ccc(CSCc2ccccc2F)o1
AddComponent,Please add a hydroxyl to the molecule CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C.,CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)(O)CC1(C)C
SubComponent,Substitute a halo in the molecule O=S(=O)(NCCCc1ccc(N2CCOCC2)cc1)c1ccccc1F with a nitrile.,N#Cc1ccccc1S(=O)(=O)NCCCc1ccc(N2CCOCC2)cc1
DelComponent,Remove a benzene ring from the molecule C(=Cc1cc(-c2ccccc2)[se+]c2ccccc12)C=C1c2ccccc2[Se]c2ccccc21.,C(=Cc1cc[se+]c2ccccc12)C=C1c2ccccc2[Se]c2ccccc21
LogP,Please optimize the molecule O=C([O-])c1cc(O)c2cc(C(=O)[O-])cc(O)c2c1 to have a higher LogP value.,O=C([O-])c1cc(O)c2cc(C(=O)[O-])ccc2c1
MR,Modify the molecule C=Cc1ccc([N+](=O)[O-])c(OC(C)C)n1 to increase its MR value.,C=Cc1ccc([N+](=O)[O-])c(OC(C)(C)O)n1
QED,Please optimize the molecule CC(C)(C)OC(=O)N1CC[NH+](CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 to have a lower QED value.,CC(C)(C)OC(=O)N1CC[NH+](CC(S)COc2cccc3[nH]c4ccccc4c23)CC1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",O=C([O-])c1csc(-c2cnn(CCCOc3ccccc3[N+](=O)[O-])c2)n1
BondNum,"The molecule contains 7 single bonds, 7 rotatable bonds, and 53 aromatic bonds.",c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5cc6ccccc6c(-c6ccccc6-c6ccncc6)n5)c4)c3)c2)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, 1 nitro group, and 1 sulfide group.",C[NH+]1CCN(c2ccc([N+](=O)[O-])c(CNc3nc(-c4ccncc4)cs3)c2)CC1
AddComponent,Modify the molecule CCNC(NC1CC[NH+](CC(=O)N(C)C)CC1)=[NH+]CC(C)Oc1ccc(Cl)cc1 by adding a carboxyl.,CC(C[NH+]=C(NC1CC[NH+](CC(=O)N(C)C)CC1)NC(C)C(=O)O)Oc1ccc(Cl)cc1
SubComponent,Modify the molecule COc1cc2scc(Br)c2cc1O by substituting a hydroxyl with a aldehyde.,CC(=O)c1cc2c(Br)csc2cc1OC
DelComponent,Please remove a benzene ring from the molecule CC(C)CCNS(=O)(=O)Cc1cccc(C[NH2+]C2CC2)c1.,CC(C)CCNS(=O)(=O)CC[NH2+]C1CC1
LogP,Modify the molecule COC(Cn1c(=O)[nH]c2ccccc2c1=O)c1ccc(C#Cc2ccccc2)cc1Cl to have a lower LogP value.,COC(Cn1c(=O)[nH]c2ccccc2c1=O)c1ccc(C#Cc2ccccc2)cc1
MR,Please optimize the molecule Cc1ccc(-c2nc(C)c(C(=O)NCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)s2)o1 to have a higher MR value.,CC(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3sc(-c4ccc(C)o4)nc3C)CC2)cc1
QED,Modify the molecule Cc1cccc([NH+]=C(N)SCCOc2ccc(Cl)cc2)c1 to have a lower QED value.,Cc1cccc([NH+]=CSCCOc2ccc(Cl)cc2)c1
AtomNum,"The molecule consists of 14 carbon atoms, 1 nitrogen atom, and 1 sulfur atom.",C#CCSCC[NH2+]C1CCCC(C2CC2)C1
BondNum,"Please generate a molecule composed of 10 single bonds, 2 double bonds, 3 rotatable bonds, and 10 aromatic bonds.",Cn1cc(C(=O)C=C[NH+]2CCCC2)c2c(Br)cccc21
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 2 amide groups, and 2 halo groups.",O=C(NC1CCC(c2ccc(F)cc2)CC1)c1ccc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)nc1
AddComponent,Modify the molecule Oc1cccc2c1ccc1c3ccccc3c3ccccc3c21 by adding a hydroxyl.,Oc1cccc2c1cc(O)c1c3ccccc3c3ccccc3c21
SubComponent,Modify the molecule CCC(C)NC(=O)c1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)Nc4ccc(F)cc4C)cc3C)CC2)cc1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)N4CCCC4C(=O)Nc4ccc(C(=O)NC(C)CC)cc4)CC3)c(C)c2)c(C)c1
DelComponent,Remove a halo from the molecule N#Cc1cc(F)ccc1NCc1ccc(Cl)c(Br)c1.,N#Cc1cc(F)ccc1NCc1cccc(Br)c1
LogP,Optimize the molecule Cc1cnccc1NS(=O)(=O)c1cc(Br)cc(N)c1C to have a lower LogP value.,Cc1cnccc1NS(=O)(=O)NCBr
MR,Modify the molecule COc1ccc(-n2nnc(C(=O)NC(C(=O)[O-])C3CC3)c2C)cc1 to decrease its MR value.,COn1nnc(C(=O)NC(C(=O)[O-])C2CC2)c1C
QED,Please modify the molecule CC(C)(CO)CC1(C)CCCC1 to decrease its QED value.,CC(C)(CBr)CC1(C)CCCC1
AtomNum,"There is a molecule consisting of 42 carbon atoms, 7 oxygen atoms, and 2 nitrogen atoms.",CC(C)(C)OC(=O)C1CCC[NH+]1CC1CC(c2ccc(CO)cc2)OC(c2ccc(-c3ccccc3CN3C(=O)c4ccccc4C3=O)cc2)O1
BondNum,"There is a molecule composed of 8 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCc1nsc(Sc2ccc(C(C)[NH2+]C)nc2)n1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 nitrile group.",CCCC1CCC(C#N)C(N(CC(N)=O)C(C)C)C1
AddComponent,Add a amine to the molecule CCCCC([NH3+])c1ccccn1.,CCCC(N)C([NH3+])c1ccccn1
SubComponent,Substitute a C=CCCCCCCCCC=CC#CC(C)O in the molecule hydroxyl with a nitrile.,C=CCCCCCCCCC=CC#CC(C)C#N
DelComponent,Remove a halo from the molecule O=C1NC(=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1.,O=C1NC(=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1
LogP,Modify the molecule C#CCC(NC(=O)CC1CCC[NH2+]C1)C(=O)[O-] to increase its LogP value.,C#CCC(NC(=O)CC1C[NH2+]CC(c2ccccc2)C1)C(=O)[O-]
MR,Modify the molecule CC(C)(C)C1CCc2c(sc(NC(=O)CCSc3nc(N)c(C#N)c(-c4cccs4)c3C#N)c2C#N)C1 to decrease its MR value.,CC(C)(C)C1CCc2c(sc(NC(=O)CCSc3nc(N)cc(-c4cccs4)c3C#N)c2C#N)C1
QED,Modify the molecule CCCCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCCC)cc2)C1c1ccc(O)c(Cl)c1 to increase its QED value.,CCCCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCCC)cc2)C1c1ccc(O)cc1
AtomNum,"The molecule contains 21 carbon atoms, and 3 oxygen atoms.",COc1cc(C=O)cc(-c2ccccc2)c1OCC1CCCCC1
BondNum,"There is a molecule composed of 15 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccc(Cl)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 amine group.",COc1ccc(Nc2ncc(C(=O)NCc3cccnc3)cn2)cc1
AddComponent,Add a benzene ring to the molecule O=C(COc1ccccc1-c1nc2ccccc2o1)NCCc1nc2ccccc2[nH]1.,O=C(COc1ccccc1-c1nc2cccc(-c3ccccc3)c2o1)NCCc1nc2ccccc2[nH]1
SubComponent,Substitute a CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCC5CC[NH+](C(C)C)CC5)c4)nc3c2)ccn1 in the molecule halo with a nitrile.,CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(C#N)c(OCC5CC[NH+](C(C)C)CC5)c4)nc3c2)ccn1
DelComponent,Modify the molecule CN(C)C(=O)c1cc(NCC2CCSC2)cc[nH+]1 by removing a amine.,CN(C)C(=O)c1cc(CC2CCSC2)cc[nH+]1
LogP,Modify the molecule CC(=O)N1CCN(C(=O)CCN(Cc2ccco2)c2nc(Cc3ccc(F)cc3)ns2)CC1 to have a lower LogP value.,CC(=O)N1CCN(C(=O)CCN(Cc2ccco2)c2nc(Cc3ccc(F)cc3)ns2)CC1O
MR,Modify the molecule COC(C)CCC(=O)Nc1ccc(C#CCO)c(F)c1 to increase its MR value.,CC(=O)c1cc(NC(=O)CCC(C)OC)ccc1C#CCO
QED,Please modify the molecule CCc1nc(Br)cc(-c2cnn(CC)c2)n1 to decrease its QED value.,CCc1nccc(-c2cnn(CC)c2)n1
AtomNum,"There is a molecule composed of 10 carbon atoms, 1 nitrogen atom, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",Nc1cc2cc(C(F)(F)F)c(CCl)cc2s1
BondNum,"There is a molecule with 16 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",COc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, and 1 nitrile group.",CC[NH+]1CCN(CC(N)(C#N)c2ccccc2)CC1
AddComponent,Please add a benzene ring to the molecule O=C(C[NH+]1CCc2sccc2C1)c1cc([N+](=O)[O-])c[nH]1.,O=C(C[NH+]1CCc2sccc2C1)c1[nH]cc([N+](=O)[O-])c1-c1ccccc1
SubComponent,Substitute a halo in the molecule Cn1ccc(COc2c(N)cc(Cl)cc2Br)n1 with a hydroxyl.,Cn1ccc(COc2c(N)cc(O)cc2Br)n1
DelComponent,Please remove a nitrile from the molecule Cc1ccc(C#N)c(SCCC(=O)Nc2cc(Cl)ccc2C)n1.,Cc1cccc(SCCC(=O)Nc2cc(Cl)ccc2C)n1
LogP,Modify the molecule CC(CO)Nc1cnc(C(C)C)nc1C(=O)[O-] to have a lower LogP value.,CC(CO)Nc1c(N)nc(C(C)C)nc1C(=O)[O-]
MR,Please modify the molecule N#CC1(c2cc(F)cc(F)c2)CCN(C(=O)[O-])CC1 to increase its MR value.,CC(=O)c1cc(F)cc(C2(C#N)CCN(C(=O)[O-])CC2)c1
QED,Please optimize the molecule Clc1cc2nc(CCC(c3ccc(Br)cc3)C3CC[NH+](Cc4ccccc4)CC3)[nH]c2cc1Cl to have a higher QED value.,Clc1ccc2[nH]c(CCC(c3ccc(Br)cc3)C3CC[NH+](Cc4ccccc4)CC3)nc2c1
AtomNum,"The molecule has 15 carbon atoms, 3 oxygen atoms, and 1 chlorine atom.",O=C([O-])c1cc(Cl)oc1-c1ccc2c(c1)CCCC2
BondNum,"The molecule has 13 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",CNc1nc(NCC(O)C(F)(F)F)nc2c(NC)nc(Cl)nc12
FunctionalGroup,Please generate a molecule composed of and 2 amine groups.,CC1CCC(NC2=[NH+]CCN(C(=O)OC(C)(C)C)C2)C1
AddComponent,Please add a carboxyl to the molecule CCC[NH2+]CC1CCC1CCCC(C)C.,CCC[NH2+]CC1CCC1CCCC(C)CC(=O)O
SubComponent,Substitute a halo in the molecule O=C(Nc1ncc(Br)nc1Br)c1cnccn1 with a aldehyde.,CC(=O)c1cnc(NC(=O)c2cnccn2)c(Br)n1
DelComponent,Modify the molecule amine by removing a Cc1nn(CC(O)C[NH+]2CCCCCCC2)c(C)c1N.,Cc1cc(C)n(CC(O)C[NH+]2CCCCCCC2)n1
LogP,Please modify the molecule CCNc1ccc(C(=O)N2CCC(OCC)CC2)cn1 to decrease its LogP value.,CCNc1ccc(C(=O)N2CCC(OCC)C(S)C2)cn1
MR,Modify the molecule CNc1ncnc2ccc(-c3ccc(CNc4ncccc4C(=O)NCC4=CCC(F)C(F)=C4)s3)cc12 to have a higher MR value.,CNc1ncnc2ccc(-c3ccc(CNc4ncccc4C(=O)NCC4=CCC(O)C(F)=C4)s3)cc12
QED,Modify the molecule CCCN(C(C)=O)c1cc(N2CC[NH+](C)CC2)ccc1S(=O)(=O)c1ccccc1 to have a lower QED value.,CCCN(C(C)=O)c1cc(N2CC[NH+](C)CC2)ccc1[SH](=O)=O
AtomNum,"There is a molecule composed of 11 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 fluorine atoms.",CC(OC(=O)c1ccccc1OC(F)F)C(N)=O
BondNum,"Please generate a molecule with 26 single bonds, 1 double bond, and 2 rotatable bonds.",C=CC1(C)CCC2(O)C3(C)CC(O)CC(C)(CO)C3CC3OC32C1
FunctionalGroup,There is a molecule with and 1 benzene ring group.,CC1CCCCC1CCc1ccccc1
AddComponent,Add a aldehyde to the molecule COC(=O)c1ccncc1NCC1c2ccc(Br)cc2CCN1C(=O)OC(C)(C)C.,COC(=O)c1ccncc1NC(CC=O)C1c2ccc(Br)cc2CCN1C(=O)OC(C)(C)C
SubComponent,Substitute a halo in the molecule COCc1c(C(=O)NNc2ccccc2Cl)cnn1-c1ccnc2cc(Cl)ccc12 with a nitro.,COCc1c(C(=O)NNc2ccccc2NO)cnn1-c1ccnc2cc(Cl)ccc12
DelComponent,Remove a halo from the molecule Cc1cc(Cl)c(NC(=O)N2CCC([NH3+])C(C)C2)cc1C.,Cc1ccc(NC(=O)N2CCC([NH3+])C(C)C2)cc1C
LogP,Optimize the molecule COc1ccc(CNc2ccc(OC)cc2CO)cc1 to have a lower LogP value.,COc1ccc(CNc2cc(O)c(OC)cc2CO)cc1
MR,Optimize the molecule CCc1cccc2sc(N(CC[NH+](CC)CC)C(=O)c3ccn(C)n3)nc12 to have a lower MR value.,CCc1cccc2sc(-n3n(C)ccC3C[NH+](CC)CC)nc12
QED,Modify the molecule FC(F)COCC[NH2+]CC1CCC=CO1 to decrease its QED value.,FCCOCC[NH2+]CC1CCC=CO1
AtomNum,"The molecule contains 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cc(C)c(OCc2cncs2)c(N)c1
BondNum,"There is a molecule consisting of 17 single bonds, 3 double bonds, and 4 rotatable bonds.",C=CC(=O)OC1(CC)OOC1(C)OC(=O)OC(C)(C)C
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, and 2 halo groups.",CC(C)(C)C1CCC(C(O)c2cc(Br)ccc2F)CC1
AddComponent,Add a amine to the molecule O=c1[nH]c(=O)c2ncn(COCCCCP(=O)([O-])[O-])c2[nH]1.,NC(CCOCn1cnc2c(=O)[nH]c(=O)[nH]c21)CP(=O)([O-])[O-]
SubComponent,Substitute a halo in the molecule Cc1ccc(-c2csc(NC(=O)c3cc(Cl)c4c(c3)OCO4)n2)s1 with a nitro.,Cc1ccc(-c2csc(NC(=O)c3cc(NO)c4c(c3)OCO4)n2)s1
DelComponent,Modify the molecule C[NH+](C)CCOc1ccc(-c2ccc(O)c(Cl)c2)cc1 by removing a hydroxyl.,C[NH+](C)CCOc1ccc(-c2cccc(Cl)c2)cc1
LogP,Optimize the molecule O=[N+]([O-])c1c(OC(F)(F)F)cccc1S(=O)(=O)Cl to have a lower LogP value.,O=[N+]([O-])c1c(OC(F)F)cccc1S(=O)(=O)Cl
MR,Please optimize the molecule CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cc(Cl)ccc2F)cc1 to have a higher MR value.,CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cc(NO)ccc2F)cc1
QED,Modify the molecule CCc1nnc(C2CN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CCO2)o1 to decrease its QED value.,CCc1nnc(C2CN(S(=O)(=O)c3ccc4c(c3)CC(c3ccccc3)C(=O)N4)CCO2)o1
AtomNum,"The molecule has 24 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",C=CCn1c(C)cc(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1C
BondNum,"The molecule consists of 3 single bonds, 3 rotatable bonds, and 42 aromatic bonds.",c1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-c2ccnc3c2sc2ccccc23)c1
FunctionalGroup,"The molecule has 3 benzene ring groups, 1 anhydride group, 2 ester groups, 1 amide group, 2 halo groups, 1 thioether group, and 2 sulfide groups.",CCc1cccc(C[NH2+]CC(C([NH3+])Cc2cc(F)cc(F)c2)C(Sc2nncn2C)(C(=O)OC(=O)Cc2csc(NC(C)=O)n2)c2ccccc2)c1
AddComponent,Modify the molecule Cc1ccc(-c2nnc(CNC(=O)C(C)(C)C)o2)cc1 by adding a hydroxyl.,Cc1ccc(-c2nnc(CNC(=O)C(C)(C)C)o2)c(O)c1
SubComponent,Substitute a Nc1ncc([N+](=O)[O-])c(Nc2cc(Br)c(F)cc2F)n1 in the molecule halo with a carboxyl.,Nc1ncc([N+](=O)[O-])c(Nc2cc(C(=O)[OH])c(F)cc2F)n1
DelComponent,Remove a halo from the molecule CCCNC(=O)C(C)[NH2+]C(C)(C(=O)[O-])C(F)(F)F.,CCCNC(=O)C(C)[NH2+]C(C)(C(=O)[O-])C(F)F
LogP,Modify the molecule COCc1noc(C[NH+]2CC(O)C(Cc3cc(C)[nH]n3)C2)n1 to increase its LogP value.,COCc1noc(C[NH+]2CC(O)C(C(c3ccccc3)c3cc(C)[nH]n3)C2)n1
MR,Modify the molecule N#CC(=Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1F to have a lower MR value.,Fc1ccc(COc2ccc(C=Cc3ccccc3F)cc2)cc1
QED,Modify the molecule Clc1ccc(CCC[NH2+]CCc2ccccc2)cc1Cl to have a higher QED value.,N#Cc1ccc(CCC[NH2+]CCc2ccccc2)cc1Cl
AtomNum,"There is a molecule composed of 14 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCC1C[NH+](CCc2ccc(N)cc2)CCO1
BondNum,"There is a molecule composed of 19 single bonds, 4 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CCc1ccccc1NC(=O)CN1C(=O)NC(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C1=O
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 1 amide group.",COc1ccccc1C(=O)N(Cc1ccncc1)Cc1ccc(OCC(C)C)cc1
AddComponent,Please add a benzene ring to the molecule CCOc1ccc(CN(C)C(NCCCc2nc(C(C)C)no2)=[NH+]C)cc1.,CCOc1ccc(CN(C)C(NCCCc2nc(C(C)C)no2)=[NH+]Cc2ccccc2)cc1
SubComponent,Modify the molecule nitrile by substituting a CN(C)CC(C#N)CN1CCCC(C(N)=O)C1 with a halo.,CN(C)CC(Br)CN1CCCC(C(N)=O)C1
DelComponent,Modify the molecule C=CCC(CC(CO)[NH2+]Cc1ccccc1)O[Si](C)(C)C(C)(C)C by removing a hydroxyl.,C=CCC(CC(C)[NH2+]Cc1ccccc1)O[Si](C)(C)C(C)(C)C
LogP,Please optimize the molecule CCn1ccc(-c2cc(=O)n3[nH]cc(-c4ccccc4)c3n2)n1 to have a lower LogP value.,CCn1nc(-c2cc(=O)n3[nH]cc(-c4ccccc4)c3n2)cc1O
MR,Please modify the molecule CCC1Oc2ccc(C([NH3+])CC(C)C)cc2N(CCO)C1=O to increase its MR value.,CCC1Oc2ccc(C([NH3+])CC(C)C)cc2N(CCC#N)C1=O
QED,Please optimize the molecule Cc1nc(CNC(=O)NCC(C)(O)C(=O)[O-])oc1C to have a higher QED value.,Cc1nc(CNC(=O)NCC(C)(C#N)C(=O)[O-])oc1C
AtomNum,"There is a molecule consisting of 7 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",[NH3+]C(C(=O)[O-])c1ccnc(Cl)c1Br
BondNum,"Please generate a molecule with 12 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",COc1ccc(Br)cc1C[NH+](C)CC(=O)Nc1cccc([N+](=O)[O-])c1
FunctionalGroup,The molecule has and 2 benzene ring groups.,C(=Cc1ccc(COC2C3CC4CC2C[NH+](C4)C3)cc1)c1ccccc1
AddComponent,Modify the molecule O=C([O-])C(CCO)NC(=O)N1CC2CCCC2C1 by adding a benzene ring.,O=C([O-])C(CC(O)c1ccccc1)NC(=O)N1CC2CCCC2C1
SubComponent,Please substitute a halo in the molecule CN(CC(=O)N1CCCC1)S(=O)(=O)CCCCCl with a nitro.,CN(CC(=O)N1CCCC1)S(=O)(=O)CCCCNO
DelComponent,Please remove a benzene ring from the molecule COc1cccc(C(Cc2ccccc2)C(=O)N2CCC3(CC2)OCCO3)c1.,COc1cccc(C(C)C(=O)N2CCC3(CC2)OCCO3)c1
LogP,Optimize the molecule C#CCC(CC)[NH2+]CCCC(F)(F)F to have a lower LogP value.,C#CCC(CC)[NH2+]CCCC(O)(F)F
MR,Please optimize the molecule COC(=O)CCc1c(C)nn(-c2ccc(C(=O)OC(C)C(=O)NC3CC3)cc2)c1C to have a lower MR value.,COC(=O)CCc1c(C)nn(-c2ccc(C(=O)OCC3CC3)cc2)c1C
QED,Please modify the molecule CC(OC1CCC(C[NH+](C)CCCC(=O)[O-])C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 to decrease its QED value.,CC(OC1CCC(C[NH+](C)CCCC(=O)[O-])C1c1ccc(F)cc1)c1cc(C(F)F)cc(C(F)(F)F)c1
AtomNum,"There is a molecule composed of 23 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(C)CNC(=O)C1CCC[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1
BondNum,"The molecule has 13 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)OC(=O)NC(c1ccccc1)C(C)(C)C(=O)[O-]
FunctionalGroup,There is a molecule consisting of and 1 hydroxyl group.,Cc1nc2c(cnn2C2CC2)cc1O
AddComponent,Add a carboxyl to the molecule O=C(NC1CC[NH+]2CCCCC12)c1ccnc(Cl)c1.,O=C(NC1CC[NH+]2CCC(C(=O)O)CC12)c1ccnc(Cl)c1
SubComponent,Please substitute a hydroxyl in the molecule OCCc1ccc(NCc2csc3ccccc23)cc1 with a carboxyl.,O=C([OH])CCc1ccc(NCc2csc3ccccc23)cc1
DelComponent,Modify the molecule amide by removing a CCC(CC)(CNC(=O)NC1CCCNC1=O)C(=O)[O-].,CCC(CC)(CNC(=O)NC1CC1)C(=O)[O-]
LogP,Please optimize the molecule CCC(N=C(NC#N)SC)C(C)C to have a lower LogP value.,CCC(N=C(NO)SC)C(C)C
MR,Please modify the molecule CC(C)CN(C)c1cc(N2CC[NH2+]C(C)C2)ncn1 to increase its MR value.,CC(Cc1ccccc1)CN(C)c1cc(N2CC[NH2+]C(C)C2)ncn1
QED,Please optimize the molecule COc1cccc(CNC(=O)C[NH+](C)CC2CC(O)C2)c1 to have a higher QED value.,COc1cccc(C[NH+](C)CC2CC(O)C2)c1
AtomNum,"Please generate a molecule with 20 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",Cc1cccc(OCCCC(=O)NNC(=O)C(C)Oc2ccccc2F)c1
BondNum,"Please generate a molecule composed of 48 single bonds, 7 double bonds, and 42 rotatable bonds.",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCC
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 ketone group, 1 ester group, and 1 halo group.",Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CCc1ccccc1
AddComponent,Modify the molecule N#Cc1ccc(NC(=O)c2cc(NCc3ccc(F)cc3)cc[nH+]2)cc1 by adding a carboxyl.,N#Cc1ccc(NC(=O)c2cc(NCc3ccc(F)cc3)cc[nH+]2)cc1C(=O)O
SubComponent,Modify the molecule CCc1cccc(NC(=O)c2nc(-c3cn(Cc4ccc(F)cc4)nn3)no2)c1 by substituting a halo with a carboxyl.,CCc1cccc(NC(=O)c2nc(-c3cn(Cc4ccc(C(=O)[OH])cc4)nn3)no2)c1
DelComponent,Remove a benzene ring from the molecule CCOc1cccc(C2C(=C([O-])c3c[nH]c4ccccc34)C(=O)C(=O)N2c2ccc3c(c2)OCO3)c1.,CCOC1C(=C([O-])c2c[nH]c3ccccc23)C(=O)C(=O)N1c1ccc2c(c1)OCO2
LogP,Modify the molecule CC(C)(CCCCCC(O)(O)CCC(C)(C)S(=O)(=O)[O-])S(=O)(=O)[O-] to increase its LogP value.,CC(=O)C(O)(CCCCCC(C)(C)S(=O)(=O)[O-])CCC(C)(C)S(=O)(=O)[O-]
MR,Please modify the molecule CCCC(CCC)C(=O)Nc1ccn(C2OC3CO[P+](O)(NC(CC)C(=O)O)OC3C2(C)O)c(=O)n1 to decrease its MR value.,CCCC(CCC)C(=O)Nc1ccn(C2OC3CO[P+](O)(NC(CC)NO)OC3C2(C)O)c(=O)n1
QED,Modify the molecule COc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](Cc1ccco1)Cc1ccco1 to have a lower QED value.,COc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](Cc1ccco1)Cc1cc(O)co1
AtomNum,"There is a molecule with 16 carbon atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1cccc(N(C)C(C[NH3+])c2ccc(F)cc2Cl)c1
BondNum,"The molecule consists of 13 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(-n2nc(C)cc2NC(=O)C[NH+](C)CC(=O)N(C)C)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ester group, 1 amide group, and 1 sulfide group.",CCOC(=O)c1c(NC(=O)COc2ccc3c(=O)c(Oc4ccc(-c5ccccc5)cc4)coc3c2)sc(C)c1C
AddComponent,Modify the molecule O=C(Nc1ccccc1Cl)c1nc(C(=O)N2CCOCC2)n2ccccc12 by adding a hydroxyl.,O=C(Nc1ccc(O)cc1Cl)c1nc(C(=O)N2CCOCC2)n2ccccc12
SubComponent,Please substitute a O=C(NCc1ccccc1C[NH+]1CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 in the molecule halo with a nitro.,ONc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3C[NH+]3CCOCC3)CC2)c(F)c1
DelComponent,Remove a CCCN(C)C(=O)C1(C[NH3+])CC(C)C1 from the molecule amide.,CCCCC([NH3+])C1CC1C
LogP,Please modify the molecule CCc1cc(COc2cc(CO)ccc2OC)n(CC)n1 to decrease its LogP value.,CCc1cc(COc2cc(CNO)ccc2OC)n(CC)n1
MR,Please modify the molecule CN(c1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 to decrease its MR value.,CN(c1ccc(-c2cc(Cl)ccc2Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
QED,Please modify the molecule CCCCCCCCCCCN1CCCC1=O to decrease its QED value.,CCCCCCCCCCCCC
AtomNum,"Please generate a molecule consisting 27 carbon atoms, 8 oxygen atoms, and 6 nitrogen atoms.",O=CC(CC(=O)[O-])NC(=O)C1CCCN2C(=O)CCN(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)C(=O)N12
BondNum,"The molecule is composed of 9 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",CC[NH2+]C(Cc1ccc(F)cc1)Cc1ncnn1C
FunctionalGroup,The molecule is composed of and 1 amine group.,Cc1cc(Nc2nc(N(C)c3cccnc3)nc3ccccc23)n[nH]1
AddComponent,Add a benzene ring to the molecule CCOCCC[NH2+]CCn1ncc(C)cc1=O.,CCOCCC[NH2+]CCn1ncc(Cc2ccccc2)cc1=O
SubComponent,Substitute a halo in the molecule Cc1cnc(NC(=O)CN(CCC(C)C)C(=O)c2ccc(C(F)(F)F)cc2)s1 with a nitrile.,Cc1cnc(NC(=O)CN(CCC(C)C)C(=O)c2ccc(C(F)(F)C#N)cc2)s1
DelComponent,Remove a N#Cc1cc(C(F)F)nc([N+](=O)[O-])c1 from the molecule halo.,N#Cc1cc(CF)nc([N+](=O)[O-])c1
LogP,Optimize the molecule CCc1cc(Nc2cc(=O)n(CCCC[NH+]3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)C(C)C3)c(=O)[nH]2)ccc1C to have a lower LogP value.,CCc1cc(Nc2cc(=O)n(CCCC[NH+]3CCN(c4ccc5c(=O)c(C(=O)[O-])cn(C6CC6)c5c4)C(C)C3)c(=O)[nH]2)ccc1C
MR,Optimize the molecule Brc1cncc(N2CCn3ccnc3C2)c1 to have a lower MR value.,c1cncc(N2CCn3ccnc3C2)c1
QED,Please optimize the molecule CC(CC(=O)[O-])Nc1ccc(Br)c(F)c1 to have a lower QED value.,CC(CC(=O)[O-])Nc1ccc(C(=O)[OH])c(F)c1
AtomNum,"There is a molecule composed of 21 carbon atoms, 8 oxygen atoms, 2 sulfur atoms, and 6 fluorine atoms.",C=Cc1cc(COC(C)(C)C)c(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])c(COC(C)(C)C)c1
BondNum,"Please generate a molecule composed of 15 single bonds, 6 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C1=CN(CC(=O)Nc2ccc(F)cc2C)S(=O)(=O)N=C1C
FunctionalGroup,"The molecule is composed of 4 benzene ring groups, 16 hydroxyl groups, and 1 amine group.",OCC1CC(OCCOc2cccc(C3=C4CCC(=C(c5cccc(OCCOC6OC(CO)C(O)C(O)C6O)c5)c5ccc([nH]5)C(c5cccc(OCCOC6OC(CO)C(O)C(O)C6O)c5)=c5ccc([nH]5)=C(c5cccc(OCCOC6OC(CO)C(O)C(O)C6O)c5)c5ccc3[nH]5)N4)c2)C(O)C(O)C1O
AddComponent,Add a hydroxyl to the molecule CCc1ccc(NC(=O)C2CCC2)cc1.,CC(O)c1ccc(NC(=O)C2CCC2)cc1
SubComponent,Modify the molecule CN(CC1CC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl by substituting a halo with a carboxyl.,CN(CC1CC1)S(=O)(=O)c1c(Cl)cc(N)cc1C(=O)[OH]
DelComponent,Modify the molecule hydroxyl by removing a O=C(NCc1ccc(O)cc1)c1c[nH]c2c(c1=O)CCCCC2.,O=C(NCc1ccccc1)c1c[nH]c2c(c1=O)CCCCC2
LogP,Optimize the molecule Cc1ccc(NC(=O)C(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccccc2)c(C)c1 to have a lower LogP value.,Cc1ccc(NC(=O)C(Sc2ccc(NC(=O)c3ccccc3)cc2)c2ccccc2)c(C)c1
MR,Optimize the molecule CC1CN(C(C[NH3+])c2cccc(C3CC3)c2)CC(C)(C)O1 to have a higher MR value.,CC1CN(C(O)(C[NH3+])c2cccc(C3CC3)c2)CC(C)(C)O1
QED,Modify the molecule CC(=NCC[NH+](C)C)c1ccc(C)cc1O to decrease its QED value.,CC(CO)=NCC[NH+](C)C
AtomNum,"There is a molecule consisting of 22 carbon atoms, 7 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1
BondNum,"Please generate a molecule consisting 16 single bonds, 4 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCC1(I)C(C(=O)[O-])=C(c2ccccc2)C(I)=C(C(=O)[O-])C1(CC)c1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 ester groups, 1 amine group, and 1 halo group.",CCOC(=O)C1=C(COCC[NH3+])NC(C)=C(C(=O)OC)C1c1ccc(Cl)cc1
AddComponent,Please add a hydroxyl to the molecule CCCCN1C(=O)C2CC=C3C=C[NH+]4C(C3C2C1=O)C1C(=O)N(CCCC)C(=O)C1C41CC(=O)N(CCCC)C1=O.,CCCCN1C(=O)C2CC=C3C=C[NH+]4C(C5C(=O)N(CCCC)C(=O)C5C45CC(=O)N(CCCC)C5=O)C3(O)C2C1=O
SubComponent,Substitute a halo in the molecule O=c1nc(Cc2ccc(F)cc2)[nH]c2ccccc12 with a nitro.,ONc1ccc(Cc2nc(=O)c3ccccc3[nH]2)cc1
DelComponent,Modify the molecule benzene ring by removing a CC(=O)c1cccc(OCCCC(=O)N2CCC(C(=O)[O-])CC2)c1.,CC(=O)OCCCC(=O)N1CCC(C(=O)[O-])CC1
LogP,Modify the molecule N#CCCn1c(=O)[nH]c2sc3c(c2c1=O)CCCC3 to increase its LogP value.,O=c1[nH]c2sc3c(c2c(=O)n1CCS)CCCC3
MR,Modify the molecule CCC(C)(C)[NH2+]Cc1ccc(Br)c(F)c1 to have a higher MR value.,CCC(C)(C)[NH2+]Cc1ccc(Br)c(F)c1O
QED,Optimize the molecule O=C(NCc1ccc2c(c1)OCO2)C1=CCC(=O)N(c2ccccc2)N1 to have a lower QED value.,Nc1cccc(N2NC(C(=O)NCc3ccc4c(c3)OCO4)=CCC2=O)c1
AtomNum,"The molecule consists of 9 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",OC1CCC(CNc2nnc(Br)s2)CC1
BondNum,"The molecule has 12 single bonds, and 3 rotatable bonds.",CC(C)(C)OCC(F)(F)C(C)(F)F
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 1 nitro group, and 1 halo group.",CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C[NH3+])C1CC1
AddComponent,Add a benzene ring to the molecule Cc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(Cl)cccc3s2)cc1.,Cc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(Cl)cccc3s2)cc1-c1ccccc1
SubComponent,Substitute a CN(CC[NH2+]C(C)(C)C)Cc1ccc(Cl)s1 in the molecule halo with a nitrile.,CN(CC[NH2+]C(C)(C)C)Cc1ccc(C#N)s1
DelComponent,Modify the molecule CCc1cnc(N2CCC([NH+](C)CCOc3ccc(C(=O)[O-])c(F)c3)CC2)nc1 by removing a halo.,CCc1cnc(N2CCC([NH+](C)CCOc3ccc(C(=O)[O-])cc3)CC2)nc1
LogP,Optimize the molecule Cc1ccc(F)c(C(O)c2cc3ccccc3s2)c1 to have a higher LogP value.,Cc1ccc(F)c(C(S)c2cc3ccccc3s2)c1
MR,Optimize the molecule O=S(=O)(Nc1ccccc1N1CCCCC1)c1cnc2[nH]cccc1-2 to have a lower MR value.,O=S(=O)(NN1CCCCC1)c1cnc2[nH]cccc1-2
QED,Modify the molecule O=C(Nc1ccccc1)c1ccc(NC2CC2c2ccc(F)cc2)nn1 to have a lower QED value.,O=CCc1ccccc1NC(=O)c1ccc(NC2CC2c2ccc(F)cc2)nn1
AtomNum,"There is a molecule consisting of 9 carbon atoms, 2 oxygen atoms, 7 nitrogen atoms, and 1 bromine atom.",CNc1nc(C)c([N+](=O)[O-])c(-c2c(Br)nnn2C)n1
BondNum,"There is a molecule composed of 12 single bonds, and 9 rotatable bonds.",CCC[NH2+]CCC(C)CCSCC
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 1 hydroxyl group.",COc1ccc(C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)[NH+](C)C)cc1
AddComponent,Please add a benzene ring to the molecule COC(=O)C(O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1.,COC(=O)C(O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1c1ccccc1
SubComponent,Please substitute a Nc1cnc(Cl)c(OC(F)(F)F)c1CBr in the molecule halo with a hydroxyl.,Nc1cnc(O)c(OC(F)(F)F)c1CBr
DelComponent,Remove a Oc1cccc(O)c1-c1nn2cnnc2s1 from the molecule hydroxyl.,Oc1ccccc1-c1nn2cnnc2s1
LogP,Modify the molecule COC1C=COC2(C)Oc3c(C)c([O-])c4c(c3C2=O)C(=O)C([NH+]2CCC(C3CCCN(c5c(F)cn6c(=O)c(C(=O)[O-])cc(C7CC7)c6c5C)C3)C2)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O to have a higher LogP value.,COC1C=COC2(C)Oc3c(C)c([O-])c4c(c3C2=O)C(=O)C([NH+]2CCC(C3CCCN(c5c(F)cn6c(=O)c(C(=O)[O-])cc(C7CC7)c6c5C)C3)C2)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)CC(C)C(OC(C)=O)C1C)C4=O
MR,Please modify the molecule CC[NH2+]CCCNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F to increase its MR value.,CC[NH2+]CCCNS(=O)(=O)c1cc(N)c(Cl)cc1C(F)(F)F
QED,Please optimize the molecule N#CC(=C([NH3+])c1cccc(Br)c1)c1cccs1 to have a higher QED value.,[NH3+]C(=C(C(=O)[OH])c1cccs1)c1cccc(Br)c1
AtomNum,"There is a molecule composed of 21 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 3 sulfur atoms.",CC(C)c1coc(C(NC2=NS(=O)N=C2Nc2csc(S(=O)(=O)N3CCCC3)c2O)C(C)C)c1
BondNum,"Please generate a molecule composed of 7 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",[NH3+]CCOc1cccc2c1ccn2S(=O)(=O)c1cccc(Cl)c1
FunctionalGroup,"The molecule has 1 hydroxyl group, and 1 sulfone group.",C=CCCS(=O)(=O)N(CCC)CCO
AddComponent,Add a benzene ring to the molecule C[NH+]=C(NCc1ccc(N2CCCC2=O)cc1)N1CC(C)OC(c2ccc(F)cc2)C1.,C[NH+]=C(NCc1ccc(N2CCCC2=O)cc1)N1CC(C)OC(c2ccc(F)cc2)C1c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule CC(O)(CC(=O)NCc1ccn(C2CCCC2)n1)c1ccccc1 with a thiol.,CC(S)(CC(=O)NCc1ccn(C2CCCC2)n1)c1ccccc1
DelComponent,Please remove a hydroxyl from the molecule Cc1ccc(OCCCCCCO)cc1.,CCCCCCOc1ccc(C)cc1
LogP,Modify the molecule CCn1c(=C(C#N)C(=O)NCC(F)F)sc(=CNc2ccc(F)c(NC(=O)C[NH+]3CCOCC3)c2)c1=O to have a lower LogP value.,CCn1c(=C(C(=O)[OH])C(=O)NCC(F)F)sc(=CNc2ccc(F)c(NC(=O)C[NH+]3CCOCC3)c2)c1=O
MR,Please modify the molecule CCCCC(=O)c1cc(C)ccc1C(C)CCO to increase its MR value.,CCCCC(=O)c1cc(C)ccc1C(C)CCC(=O)[OH]
QED,Modify the molecule Fc1ccc(C[NH+]2CC=CC2)cc1 to decrease its QED value.,Fc1ccc(C[NH+]2CC=CC2)cc1S
AtomNum,"The molecule has 24 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",COc1ccc(C(c2ccccc2)(c2ccc(C)cc2)c2ccn(C)c2)s1
BondNum,"Please generate a molecule consisting 7 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CCC(O)Nc1ccc(Cl)cc1C
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amide groups, and 1 halo group.",Cc1c(Br)cccc1N1C(=O)C(C)(C)NC(=O)C1C(C)C
AddComponent,Add a aldehyde to the molecule COc1ccccc1-c1cc(CNC(=O)c2cc(O)cc(C(=O)[O-])c2)on1.,COc1c(CC=O)cccc1-c1cc(CNC(=O)c2cc(O)cc(C(=O)[O-])c2)on1
SubComponent,Modify the molecule O=C(N1CCC(N2CC[NH2+]CC2)C1)C1(c2cccc(F)c2)CC1 by substituting a halo with a thiol.,O=C(N1CCC(N2CC[NH2+]CC2)C1)C1(c2cccc(S)c2)CC1
DelComponent,Please remove a hydroxyl from the molecule C=COC(=O)C(O)(C=C)C=Cc1ccccc1.,C=COC(=O)C(C=C)C=Cc1ccccc1
LogP,Optimize the molecule CCCC1CCC([NH2+]C(C)Cc2cccc(F)c2)CC1 to have a lower LogP value.,CCCC1CCC([NH2+]C(C)CF)CC1
MR,Optimize the molecule Oc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1 to have a higher MR value.,ONc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
QED,Optimize the molecule CN(C)C(=O)CCNC(=O)c1cnc(-c2ccccc2)nc1 to have a lower QED value.,CN(C)C(=O)CCNC(=O)c1cncnc1
AtomNum,"Please generate a molecule with 20 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",COC(=O)c1ccccc1NC(=O)C=Cc1cc2cc(Cl)cc(OC)c2o1
BondNum,"Please generate a molecule with 11 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCOCCOC(=O)C(CC)n1c(C)cccc1=O
FunctionalGroup,"Please generate a molecule composed of 1 ester group, 1 amide group, 1 amine group, 1 thioether group, and 1 sulfide group.",CC1(CCOC(=O)c2ccncc2)SC(=[NH+]C2CC3CCC2C3)NC1=O
AddComponent,Please add a hydroxyl to the molecule O=C1NCC1NC(=O)C(c1ccco1)N(C(=O)OCc1ccccc1)C(=O)C1CCC[NH2+]1.,O=C1NCC1NC(=O)C(c1ccco1)N(C(=O)OCc1ccccc1)C(=O)C1CC(O)C[NH2+]1
SubComponent,Substitute a COc1cc(Br)cc2c1=NC(=O)C=2c1sc(=S)n(CCC(=O)[O-])c1O in the molecule halo with a thiol.,COc1cc(S)cc2c1=NC(=O)C=2c1sc(=S)n(CCC(=O)[O-])c1O
DelComponent,Remove a COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2OC(C)C)=C(SCc2ccco2)C1=O from the molecule amine.,COc1ccc(C)cc1N1C(=O)C(SCc2ccco2)=C(c2ccccc2OC(C)C)C1=O
LogP,Please optimize the molecule CCCOCCCC(CC)[NH2+]C to have a lower LogP value.,CCCOCCCC(CCC(=O)O)[NH2+]C
MR,Optimize the molecule CC1CCC(c2ccc(-c3cc(F)c(C=CC(F)(F)F)c(F)c3)c(F)c2)CC1 to have a higher MR value.,CC1CCC(c2ccc(-c3cc(F)c(C=CC(F)(F)F)c(F)c3)c(F)c2)C(O)C1
QED,Please modify the molecule Cc1cc2c3c(c1)C(c1ccc(O)cc1)=NC(NC(=O)c1cc[n+]([O-])cc1)C(=O)N3CC2 to decrease its QED value.,Cc1cc2c3c(c1)C(c1ccc(C(=O)[OH])cc1)=NC(NC(=O)c1cc[n+]([O-])cc1)C(=O)N3CC2
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(=O)c1ccc(OCCCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1
BondNum,"Please generate a molecule consisting 20 single bonds, 3 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",COc1cc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,CC(C)(C)P(P(Cc1ccccc1)P(C(C)(C)C)C(C)(C)C)C(C)(C)C
AddComponent,Modify the molecule COC(=O)C(OC1CC(O[Si](C)(C)C(C)(C)C)CC(=O)O1)c1ccccc1 by adding a carboxyl.,COC(=O)C(OC1CC(O[Si](C)(C)C(C)(C)C)CC(=O)O1)c1ccccc1C(=O)O
SubComponent,Substitute a halo in the molecule COc1ccccc1CNC(=O)c1ccc(N2CCCC2)c(NC(=O)Nc2ccc(C)c(F)c2)c1 with a thiol.,COc1ccccc1CNC(=O)c1ccc(N2CCCC2)c(NC(=O)Nc2ccc(C)c(S)c2)c1
DelComponent,Remove a amide from the molecule Cc1noc(C=Cc2cccs2)c1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1.,Cc1noc(C=Cc2cccs2)c1S(=O)(=O)N1CCC2CCCCC2C1
LogP,Please optimize the molecule O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCC1(c2ccccc2)CCC1 to have a lower LogP value.,O=C(CNC(=O)c1ccc(O)c(Cl)c1)NCC1(c2ccccc2)CCC1
MR,Optimize the molecule COC(=O)C1CCC2(CCN(C(=O)OC(C)(C)C)CC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 to have a higher MR value.,COC(=O)C1CCC2(CCN(C(=O)OC(C)(C)C)CC2)n2c(=O)n(Cc3cc4c(cc3N)OCO4)c(=O)n21
QED,Please modify the molecule CCCCn1cc(S(=O)(=O)Nc2ccc(F)cc2)c2cccnc21 to increase its QED value.,CCCCn1cc(S(=O)(=O)NF)c2cccnc21
AtomNum,"There is a molecule with 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 bromine atom.",CC(C)(C)CC([NH3+])Cc1nc2cc(Br)ccc2o1
BondNum,"Please generate a molecule composed of 10 single bonds, 1 double bond, 7 rotatable bonds, and 5 aromatic bonds.",CCCn1cncc1C(OCCO)C(=O)[O-]
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, 1 nitro group, and 1 halo group.",Cc1c[n+]([O-])c(NCc2ccccc2F)cc1[N+](=O)[O-]
AddComponent,Please add a benzene ring to the molecule Fc1cccnc1NCCC1CC1.,Fc1c(-c2ccccc2)ccnc1NCCC1CC1
SubComponent,Modify the molecule O=c1[nH]n(-c2ccccc2F)c2c1CSC2 by substituting a halo with a nitrile.,N#Cc1ccccc1-n1[nH]c(=O)c2c1CSC2
DelComponent,Please remove a hydroxyl from the molecule CC1CC[NH2+]C(CCO)C(=O)N1Cc1ccco1.,CCC1[NH2+]CCC(C)N(Cc2ccco2)C1=O
LogP,Modify the molecule CC(NC(=O)c1ccc(C#N)cc1)c1cccs1 to have a lower LogP value.,CC(NC(=O)c1ccc(NO)cc1)c1cccs1
MR,Modify the molecule Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3ccccc3[nH]c2=O)c(C)c1 to decrease its MR value.,CCCNC(=O)CN(C)C(=O)c1cc2ccccc2[nH]c1=O
QED,Modify the molecule CC(=O)N(CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1C to have a higher QED value.,CC(=O)N(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1C
AtomNum,"The molecule is composed of 40 carbon atoms, 5 oxygen atoms, and 5 nitrogen atoms.",CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CC(NC(=O)C1CCCCC1)c1ccccc12
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",CCOc1ccc(C(=O)c2ccc(OC(C)C)cc2)cc1
FunctionalGroup,"The molecule consists of 1 amine group, and 1 sulfide group.",CCCC(Nc1ncnc2ccccc12)c1cccs1
AddComponent,Modify the molecule O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1n[nH]c(-c2ccccc2F)n1 by adding a nitrile.,N#Cc1cc([N+](=O)[O-])cc2c1oc(=O)n2CCCSc1n[nH]c(-c2ccccc2F)n1
SubComponent,Substitute a COCCNS(=O)(=O)C(C#N)=Cc1ccc(N(C)C)cc1 in the molecule nitrile with a hydroxyl.,COCCNS(=O)(=O)C(O)=Cc1ccc(N(C)C)cc1
DelComponent,Modify the molecule benzene ring by removing a O=C([O-])C(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)Sc1nc2ccccc2o1.,O=C([O-])C(=Cc1ccccc1OC(Cl)Cl)Sc1nc2ccccc2o1
LogP,Please optimize the molecule Brc1cc(Br)nc(C2(c3ccccc3)CC2)n1 to have a lower LogP value.,Brc1cc(Br)nc(C2CC2)n1
MR,Modify the molecule Cn1c2ccncc2c2ccc(-c3ccc(CCCOCCOCCOCCOCCO)nc3)cc21 to increase its MR value.,Cn1c2ccncc2c2ccc(-c3cnc(CCCOCCOCCOCCOCCO)cc3-c3ccccc3)cc21
QED,Modify the molecule Cc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CN(C(=O)c2ccco2)C(C)C)cc1 to have a higher QED value.,Cc1ccc(-n2nc(C)c(-c3ccccc3)c2N(C(=O)c2ccco2)C(C)C)cc1
AtomNum,"Please generate a molecule with 12 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC1CN(CCO)c2ccccc2C[NH2+]1
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cncn1-c1ccc(F)cc1
FunctionalGroup,"The molecule has 1 hydroxyl group, and 2 ester groups.",CCOC(=O)CCC(O)CC(=O)OC
AddComponent,Please add a amine to the molecule CC(C)C([NH3+])C(=O)NCC1(CO)CCCCC1.,CC(CN)C([NH3+])C(=O)NCC1(CO)CCCCC1
SubComponent,Modify the molecule Cc1nnnn1-c1cccc(NCc2csc(Br)c2)c1 by substituting a halo with a carboxyl.,Cc1nnnn1-c1cccc(NCc2csc(C(=O)[OH])c2)c1
DelComponent,Modify the molecule benzene ring by removing a CN(C)c1onc(-c2ccccc2)c1C#N.,CN(C)c1oncc1C#N
LogP,Modify the molecule Cn1nccc1CCNc1ccc(N)cc1F to have a higher LogP value.,CC(=O)c1cc(N)ccc1NCCc1ccnn1C
MR,Modify the molecule COc1ccc(S(=O)(=O)C2CS(=O)(=O)CC2N2CC[NH+](Cc3ccccc3)CC2)cc1OC to increase its MR value.,COc1ccc(S(=O)(=O)C2CS(=O)(=O)CC2N2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)cc1OC
QED,Please optimize the molecule CC1(CC2CCC[NH2+]2)[NH2+]CCO1 to have a higher QED value.,CC1(C(C#N)C2CCC[NH2+]2)[NH2+]CCO1
AtomNum,"Please generate a molecule with 22 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 silicon atom.",CC(CNc1ccc(OCc2ccccc2)cc1)O[Si](C)(C)C(C)(C)C
BondNum,"The molecule has 13 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",O=C(Cc1cccs1)NC(C[NH+]1CCOCC1)c1ccccc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 2 amide groups, and 1 sulfone group.",Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C(NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)c1C
AddComponent,Add a hydroxyl to the molecule Fc1cc(F)cc(C2CC[NH+]=C3NCCN32)c1.,OC1(c2cc(F)cc(F)c2)CC[NH+]=C2NCCN21
SubComponent,Substitute a hydroxyl in the molecule O=C(NCc1ccc(C2OC(C[NH+]3CCCC3CO)CC(c3ccc(CO)cc3)O2)cc1)c1c(F)c(F)c(F)c(F)c1F with a nitrile.,N#CCC1CCC[NH+]1CC1CC(c2ccc(CO)cc2)OC(c2ccc(CNC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)O1
DelComponent,Remove a halo from the molecule CCC[NH2+]C(Cc1ccc(Br)s1)C1COCCO1.,CCC[NH2+]C(Cc1cccs1)C1COCCO1
LogP,Modify the molecule COc1ccc2sc3cccc(NCC[NH+](C)C)c3c(=O)c2c1 to increase its LogP value.,COc1ccc2sc3cccc(CC[NH+](C)C)c3c(=O)c2c1
MR,Please modify the molecule Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1F to decrease its MR value.,Cc1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1F
QED,Modify the molecule O=C([O-])CS(=O)(=O)Cc1ccnc2ccccc12 to decrease its QED value.,Nc1ccc2nccc(CS(=O)(=O)CC(=O)[O-])c2c1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COC(=O)CCNC(=O)C[NH+]1CC(c2ccccc2)OCC1(C)C
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(Cl)cc1N=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 1 sulfide group.",c1ccc(-c2nc(-c3ccc(-n4c5cc6ccc7sc8c9ccccc9ccc8c7c6cc5c5ccc6ccccc6c54)cc3)nc3oc4ccccc4c23)cc1
AddComponent,Please add a benzene ring to the molecule CC1CN(S(=O)(=O)N(C)C(C)CO)CC(C)O1.,CC1CN(S(=O)(=O)N(C)C(C)(CO)c2ccccc2)CC(C)O1
SubComponent,Substitute a hydroxyl in the molecule CC(O)c1cc(Br)ccc1OCc1ccnc(C#N)c1 with a halo.,CC(I)c1cc(Br)ccc1OCc1ccnc(C#N)c1
DelComponent,Please remove a amine from the molecule CC(Cl)CC(C)Nc1ncnc2c1cnn2C.,CC(Cl)CC(C)c1ncnc2c1cnn2C
LogP,Please optimize the molecule Cc1cccc(OCCSCc2cccc(C(N)=S)c2)c1 to have a higher LogP value.,Cc1cccc(OCCSCc2cc(C(N)=S)ccc2-c2ccccc2)c1
MR,Please optimize the molecule CCC(Cl)CCCCCCCCCCCCCOC(C)=O to have a lower MR value.,CCCCCCCCCCCCCCCCOC(C)=O
QED,Optimize the molecule CCOC(=O)CSCCOc1ccccc1C#N to have a lower QED value.,CC(=O)c1ccccc1OCCSCC(=O)OCC
AtomNum,"The molecule has 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",[NH3+]CCN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CC1
BondNum,"Please generate a molecule consisting 8 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",FC(F)(c1ccccc1)C(F)(F)c1ccccc1Br
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 amide groups, 1 amine group, and 1 sulfone group.",CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1
AddComponent,Add a hydroxyl to the molecule C=C(C)CCNc1cccc(CC)c1.,C=C(CO)CCNc1cccc(CC)c1
SubComponent,Modify the molecule CC(=O)OC1(C2CCCC[NH2+]2)CN(C(=O)c2cc[n+]([O-])cc2Nc2ccc(I)cc2F)C1 by substituting a halo with a thiol.,CC(=O)OC1(C2CCCC[NH2+]2)CN(C(=O)c2cc[n+]([O-])cc2Nc2ccc(S)cc2F)C1
DelComponent,Please remove a amide from the molecule Cc1ncc(NC(=O)NC(C)C(=O)N2CCOCC2)c(C2CC2)n1.,Cc1ncc(NC(=O)NC2CCCOC2)c(C2CC2)n1
LogP,Please modify the molecule O=C(NC1CCS(=O)(=O)C1)c1cnc(Cl)cn1 to decrease its LogP value.,CC(=O)c1cnc(C(=O)NC2CCS(=O)(=O)C2)cn1
MR,Modify the molecule C#CCOCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O to have a lower MR value.,C#CCOCCOc1ccc2c(c1)C(=O)N(C1CC1=O)C2=O
QED,Optimize the molecule CCc1ccccc1C[NH2+]CC1(C)CCCS1 to have a lower QED value.,CCC[NH2+]CC1(C)CCCS1
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",CC1(c2cc(NC(=O)c3ncccc3-c3ccccc3)ccc2F)CC[NH+]=C(N)O1
BondNum,"Please generate a molecule with 13 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCCCn1nnnc1C[NH+]1CCC([NH3+])CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",CCOCC(=O)Nc1cccc(NC(=O)OC)c1
AddComponent,Add a amine to the molecule COC1OCCC=C1Br.,COC1OCC(N)C=C1Br
SubComponent,Please substitute a halo in the molecule Cc1nc(CN2C(=O)C(=O)c3c(Cl)cccc32)cs1 with a aldehyde.,CC(=O)c1cccc2c1C(=O)C(=O)N2Cc1csc(C)n1
DelComponent,Remove a COc1cccc(O)c1CC(C)(C)C#N from the molecule nitrile.,COc1cccc(O)c1CC(C)C
LogP,Modify the molecule O=C(CNc1ccccc1C(=O)c1ccccc1)SCCS(=O)(=O)N1CCCC1C(=O)[O-] to have a lower LogP value.,O=C(CNC(=O)c1ccccc1)SCCS(=O)(=O)N1CCCC1C(=O)[O-]
MR,Optimize the molecule O=C(c1ccc(Cl)cn1)N1CC2CCCC(C1)[NH2+]2 to have a lower MR value.,O=C(c1ccccn1)N1CC2CCCC(C1)[NH2+]2
QED,Please modify the molecule O=C(NCCC1CCCC1)Nc1ccc(C(=O)[O-])cc1O to decrease its QED value.,O=C(NCCC1CCCC1)NOC(=O)[O-]
AtomNum,"There is a molecule consisting of 23 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Nc1ccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)oc23)cc1
BondNum,"The molecule is composed of 12 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",O=S(=O)(NCCCOCC(F)(F)F)c1ccccc1Cl
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 2 amide groups, and 1 halo group.",COc1cc(Cl)c(NC(=O)CCNC(=O)c2cccc(C)c2)cc1OC
AddComponent,Add a hydroxyl to the molecule COC(C[NH3+])CC(=O)N1CCCCC1CC(C)C.,COC(CC(=O)N1CCCCC1CC(C)C)C([NH3+])O
SubComponent,Substitute a O=C(NCc1ccc(OC(F)(F)F)cc1)C1CN(c2ccc3ncccc3n2)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 in the molecule halo with a thiol.,O=C(NCc1ccc(OC(F)(F)S)cc1)C1CN(c2ccc3ncccc3n2)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1
DelComponent,Remove a hydroxyl from the molecule CC=CC(=O)OCCC(O)Oc1ccc(C(=O)c2ccccc2)c(O)c1.,CC=CC(=O)OCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
LogP,Modify the molecule CC(C)Sc1ccc(Cc2nnc(NC(=O)CCc3ccccc3)o2)cc1 to have a higher LogP value.,CC(C)Sc1ccc(Cc2nnc(Cc3ccccc3)o2)cc1
MR,Modify the molecule CCCCCCCCCCC[NH+]1CCCCCC1 to increase its MR value.,CCCCCCCCCC(O)C[NH+]1CCCCCC1
QED,Modify the molecule Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2OCc2c(C)noc2C)c1C to have a higher QED value.,Cc1cccc(NC(=O)CN(C)C(=O)OCc2c(C)noc2C)c1C
AtomNum,"Please generate a molecule with 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Clc1cccc(COCc2csc(C[NH2+]C3CC3)n2)c1
BondNum,"Please generate a molecule consisting 13 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",Cc1ccc2c(c1)CCC2N(Cc1cccnc1C(N)=O)C(=O)c1scnc1C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, and 1 amide group.",CC(=O)OC(c1c(-c2ccccc2)c1=O)C(NC(=O)C(CC(C)C)NC(=O)OCC1CCCCC1)C(C)C
AddComponent,Please add a hydroxyl to the molecule COc1cccc(CNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)c1OC.,COc1cc(O)cc(CNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)c1OC
SubComponent,Modify the molecule hydroxyl by substituting a COC(CC=CC=C(C)C(=O)[O-])CCC=CCCCC(C)O with a halo.,COC(CC=CC=C(C)C(=O)[O-])CCC=CCCCC(C)I
DelComponent,Remove a CCn1cc(CNC(=O)CCCC(=O)[O-])c(C)n1 from the molecule amide.,CCn1cc(CCCC(=O)[O-])c(C)n1
LogP,Modify the molecule COC(=O)C1CCC(OC)C1O to increase its LogP value.,COC(=O)C1CCC(OC)C1Cl
MR,Please optimize the molecule CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 to have a higher MR value.,CC(C)(N)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1
QED,Please optimize the molecule COc1cc(C[NH+]2CCN(C3CCS(=O)(=O)C3)CC2)ccc1F to have a lower QED value.,COc1cc(C[NH+]2CCN(C3CCS(=O)(=O)C3)CC2)ccc1O
AtomNum,"The molecule consists of 19 carbon atoms, and 1 nitrogen atom.",CCCc1ccc2c(c1)C(C1C(C)(C)C1(C)C)[NH2+]CC2
BondNum,"Please generate a molecule consisting 15 single bonds, 1 double bond, 8 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C(CNC(=S)Nc2ccc(SC(F)F)cc2)[NH+](C)C)cc1
FunctionalGroup,"There is a molecule with 1 hydroxyl group, and 1 amine group.",C=CC1OCC(n2cnc3c(N)ncnc32)C1O
AddComponent,Please add a benzene ring to the molecule CCC[NH+]1CCC(C[NH2+]C)C1c1ccc2ncccc2c1.,CCC(c1ccccc1)[NH+]1CCC(C[NH2+]C)C1c1ccc2ncccc2c1
SubComponent,Modify the molecule halo by substituting a COC(C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)C1)C1CC1 with a nitrile.,COC(C(=O)N1CCC(Oc2ccc(C(F)(F)C#N)cn2)C1)C1CC1
DelComponent,Modify the molecule amine by removing a CC(C)NC(=O)CCNC(=O)C(C)c1cccc(N)c1.,CC(C)NC(=O)CCNC(=O)C(C)c1ccccc1
LogP,Modify the molecule COc1csc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 to have a higher LogP value.,COc1csc(C(=O)Nc2c(F)ccc(C(=O)[O-])c2-c2ccccc2)c1
MR,Optimize the molecule COc1ccc(C(C)NC(=O)CCc2ccc(-c3ccccc3F)o2)c(OC)c1 to have a higher MR value.,COc1ccc(C(C)NC(=O)CCc2ccc(-c3ccccc3O)o2)c(OC)c1
QED,Modify the molecule C=CCNC(=O)NCc1ccc(Br)o1 to decrease its QED value.,C=CCNC(=O)NC(O)c1ccc(Br)o1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",C[NH2+]CC1(C[NH+]2CCCC(C(C)(C)C)CC2)CCOCC1
BondNum,"Please generate a molecule with 15 single bonds, 2 double bonds, 7 rotatable bonds, and 20 aromatic bonds.",COC(=O)Nc1nc2cc(SSc3cc4nc(NC(=O)OC)[nH]c4cc3OC)c(OC)cc2[nH]1
FunctionalGroup,Please generate a molecule consisting and 1 amine group.,CNc1ncc2c(n1)CC1CCC3C4CCC5(C(=O)[O-])CCCCC5C4=CCC3C1C2
AddComponent,Modify the molecule Cc1cc(C(C(=O)NC2CCCCC2)N(C)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)ccc1O by adding a hydroxyl.,Cc1cc(C(C(=O)NC2CCCCC2)N(CO)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)ccc1O
SubComponent,Substitute a halo in the molecule COc1csc2cc(CC(=O)[O-])cc(Br)c12 with a hydroxyl.,COc1csc2cc(CC(=O)[O-])cc(O)c12
DelComponent,Modify the molecule OC1CCCc2ccc(OCc3ccncc3Cl)cc21 by removing a halo.,OC1CCCc2ccc(OCc3ccncc3)cc21
LogP,Please optimize the molecule N#Cc1ccc(NCc2cccc(N3CCCS3(=O)=O)c2)cc1 to have a lower LogP value.,ONc1ccc(NCc2cccc(N3CCCS3(=O)=O)c2)cc1
MR,Modify the molecule CCCC(C)n1nnc(C(=O)OCC)c1C(F)F to have a higher MR value.,CCCC(C)n1nnc(C(=O)OCC)c1C(F)C(=O)[OH]
QED,Please optimize the molecule CSCC(=O)N1CCC(c2nc3ccccc3o2)CC1 to have a lower QED value.,CSCC(=O)N1CCC(c2nc3cccc(-c4ccccc4)c3o2)CC1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, and 7 nitrogen atoms.",CCNC(=NCCNC(NCC)=[N+](N)CC)NCC
BondNum,"The molecule consists of 24 single bonds, 3 double bonds, and 14 rotatable bonds.",CCCCCCCN1C(=O)N(CCCCCCC)C(=O)C(CC)(CC)C1=O
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 1 ester group, 1 amide group, 1 halo group, and 1 nitrile group.",CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)NN=Cc2cc(I)cc(OC)c2OCc2ccccc2C#N)c(OC)c1
AddComponent,Add a hydroxyl to the molecule CNC(=O)c1cc(NC(C)C2CCOCC2)cc[nH+]1.,CNC(=O)c1cc(NC(C)C2CCOCC2)c(O)c[nH+]1
SubComponent,Modify the molecule halo by substituting a CC1(C)C=C(n2cccc(Cl)c2=O)c2ncccc2O1 with a nitro.,CC1(C)C=C(n2cccc(NO)c2=O)c2ncccc2O1
DelComponent,Please remove a halo from the molecule Nc1nc(Nc2ccc(Oc3c(F)cncc3F)cc2)cc(-c2ccccc2)n1.,Nc1nc(Nc2ccc(Oc3ccncc3F)cc2)cc(-c2ccccc2)n1
LogP,Please modify the molecule Cc1c(O)c2ccccc2c2c1sc(Nc1ccccc1)[n+]2C to increase its LogP value.,CC(=O)c1c(C)c2sc(Nc3ccccc3)[n+](C)c2c2ccccc12
MR,Please optimize the molecule CCSCc1ccc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc1 to have a lower MR value.,CCSCC(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1
QED,Modify the molecule COc1cc(Cl)c(C)cc1N1C[NH2+]CC1=O to decrease its QED value.,CC(=O)c1cc(OC)c(N2C[NH2+]CC2=O)cc1C
AtomNum,"The molecule has 17 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCOC(=O)CCN(CC[NH+](C)C)C(=O)c1ccccc1C
BondNum,"Please generate a molecule consisting 20 single bonds, 2 double bonds, and 6 rotatable bonds.",CS(=O)(=O)N1CCCC(C[NH+](CCCl)C2CCCCC2)C1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amine group, and 2 halo groups.",CC(C)c1cccc(NC(C)c2ccc(Br)cc2F)c1
AddComponent,Add a hydroxyl to the molecule N#CC1=COC2=C(C(=O)c3ccccc3C2=O)C1c1ccc(Br)cc1.,N#CC1=COC2=C(C(=O)c3ccccc3C2=O)C1(O)c1ccc(Br)cc1
SubComponent,Substitute a CCC=CCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 in the molecule nitrile with a halo.,CCC=CCC(=O)Oc1ccc(-c2ccc(Br)cc2)cc1
DelComponent,Remove a CC1=CC(C)C(=O)NC(C)C(=O)N(C)C(Cc2c(Br)[nH]c3ccccc23)C(=O)NC(c2ccc(O)cc2)CC(=O)OC(C)CC(C)C1O from the molecule benzene ring.,CC1=CC(C)C(=O)NC(C)C(=O)N(C)C(Cc2c(Br)[nH]c3ccccc23)C(=O)NC(O)CC(=O)OC(C)CC(C)C1O
LogP,Modify the molecule Cc1ccc(NC(=O)c2ccc(C[NH2+]CCOCCOCCOCCOCCOCCOCCOCCOCCO)cc2)cc1Nc1nccc(-c2cccnc2)n1 to have a higher LogP value.,CC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCC[NH2+]Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1
MR,Please modify the molecule CCNc1cc[nH+]cc1C(=O)Nc1c(C)cccc1F to increase its MR value.,CCNc1cc[nH+]cc1C(=O)Nc1ccccc1C
QED,Please optimize the molecule CSCCCC(O)CCCc1ccccc1 to have a lower QED value.,CSCCCC(O)CCCc1ccccc1-c1ccccc1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1nnc(N2CCN(C(=O)CCCc3ccccc3C)CC2)o1
BondNum,"The molecule contains 13 single bonds, 3 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",CC(C)CC(C(=O)Nc1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 halo group.",CNC(=O)CCc1nc(C)nn1Cc1ccccc1Cl
AddComponent,Modify the molecule COC(=O)c1cccc(Cn2c(CC(C)C)cc3cc(OC)ccc32)n1 by adding a amine.,COC(=O)c1cccc(Cn2c(CC(C)C)cc3cc(OCN)ccc32)n1
SubComponent,Modify the molecule halo by substituting a Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC[NH2+]Cc3ccc(Cl)c(Cl)c3)c2cc1C with a nitro.,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC[NH2+]Cc3ccc(NO)c(Cl)c3)c2cc1C
DelComponent,Please remove a halo from the molecule Cc1ccc(-c2noc(C(NC(=O)c3ccc(C(F)(F)F)cc3)C(C)C)n2)cc1Cl.,Cc1ccc(-c2noc(C(NC(=O)c3ccc(C(F)(F)F)cc3)C(C)C)n2)cc1
LogP,Modify the molecule O=C([O-])CC=Cc1ccc(Oc2c(-c3ccc(O)cc3)ccc3cc(O)ccc23)cc1 to decrease its LogP value.,O=C([O-])CC=Cc1ccc(Oc2c(-c3ccc(C(=O)[OH])cc3)ccc3cc(O)ccc23)cc1
MR,Optimize the molecule O=CCCCC(C(=O)c1ccc[nH]1)c1ccc[nH]1 to have a lower MR value.,CCC(C(=O)c1ccc[nH]1)c1ccc[nH]1
QED,Please modify the molecule CC[NH2+]C1CC[NH+](CCc2cccc(F)c2)CC1C to decrease its QED value.,CC[NH2+]C1CC[NH+](CCF)CC1C
AtomNum,"The molecule has 11 carbon atoms, and 1 nitrogen atom.",CCNc1c(C)cc(C)cc1C
BondNum,"There is a molecule with 12 single bonds, 3 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCCOc1ccc(Cl)cc1
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,CCCCCCCC(C[NH2+]CC(C)C)c1cccc(C)c1
AddComponent,Please add a hydroxyl to the molecule Nc1cc(Cn2ccnc2-c2cccs2)ccc1Cl.,Nc1c(Cl)ccc(Cn2ccnc2-c2cccs2)c1O
SubComponent,Modify the molecule nitrile by substituting a Cn1c(C#N)c[nH+]c1NC1CCC1 with a nitro.,Cn1c(NO)c[nH+]c1NC1CCC1
DelComponent,Modify the molecule amine by removing a Nc1nn2cc(CCC[NH2+]C3CC3)cnc2c1-c1ccccn1.,c1ccc(-c2cnn3cc(CCC[NH2+]C4CC4)cnc23)nc1
LogP,Please optimize the molecule CCOC(=O)Cc1nnc2n(c1=O)-c1ccc(Cl)cc1C(c1ccccc1)=NC2 to have a lower LogP value.,CCOC(=O)Cc1nnc2n(c1=O)-c1ccc(Cl)cc1C=NC2
MR,Modify the molecule c1ccc(CC2CC(c3ccccc3)N(Cc3ccccc3)O2)cc1 to increase its MR value.,c1ccc(CC2CC(c3ccccc3)N(Cc3ccc(-c4ccccc4)cc3)O2)cc1
QED,Optimize the molecule CC(O)C1CCN(C(=O)c2ccnc(C(=O)[O-])c2)C1 to have a lower QED value.,CCC1CCN(C(=O)c2ccnc(C(=O)[O-])c2)C1
AtomNum,"There is a molecule with 14 carbon atoms, and 3 oxygen atoms.",CCc1ccccc1OCCCOCCOC
BondNum,"There is a molecule consisting of 14 single bonds, 6 rotatable bonds, and 5 aromatic bonds.",CC[NH2+]C(c1ccc(COC)o1)C1CCCOC1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 hydroxyl group.",Cn1nc2c(cc1=O)C[NH+](CC(O)COCc1ccccc1)CC2
AddComponent,Add a amine to the molecule Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccnn1Cc1ccccc1Cl.,Cc1nc(-c2cccc(N)c2)ccc1C(=O)Nc1ccnn1Cc1ccccc1Cl
SubComponent,Substitute a halo in the molecule O=C(NCCc1cccc(Cl)c1)C1CCC(C(=O)NC2CCCC2)CC1 with a thiol.,O=C(NCCc1cccc(S)c1)C1CCC(C(=O)NC2CCCC2)CC1
DelComponent,Modify the molecule COc1ccc(F)cc1C[NH+]1CCN(C(=O)CCCc2nnc(-c3ccccc3)o2)CC1 by removing a amide.,COc1ccc(F)cc1C[NH+]1CCC(CCc2nnc(-c3ccccc3)o2)C1
LogP,Optimize the molecule CCC(C)[NH+]1CCN(C(=O)C(F)(F)F)CC1 to have a lower LogP value.,CCC(C)[NH+]1CCN(C(=O)C(F)(F)NO)CC1
MR,Please optimize the molecule CC(C)(C)OC(=O)N1CCc2cc(O)cc(O)c2C1Cc1ccc(-c2ccccc2)cc1 to have a lower MR value.,CC(C)(C)OC(=O)N1CCc2cccc(O)c2C1Cc1ccc(-c2ccccc2)cc1
QED,Optimize the molecule COc1cc(C(=O)OCC(=O)NC(C)(C)C)ccc1OCCC(C)C to have a higher QED value.,COc1cc(C(=O)OC(C)(C)C)ccc1OCCC(C)C
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CC(O)C[NH2+]Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)[O-]
BondNum,"There is a molecule composed of 12 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",C1CC1c1n[nH]c(C2C3COCC32)n1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 sulfoxide group.",CC1CN(CC(=O)NCc2cccc(OC(C)C)c2)CCS(=O)C1
AddComponent,Modify the molecule Cc1ccccc1C1CCCCC1C(=O)[O-] by adding a benzene ring.,Cc1ccccc1C1(c2ccccc2)CCCCC1C(=O)[O-]
SubComponent,Substitute a COCCOc1cc(CCOC)cc(CNC(=O)C2C[NH+](C3CC3)CCC2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 in the molecule halo with a nitro.,COCCOc1cc(CCOC)cc(CNC(=O)C2C[NH+](C3CC3)CCC2c2ccc(OCCOc3c(Cl)cc(C)cc3NO)cc2)c1
DelComponent,Remove a CC1(C)C2CCC1(C(Br)=S=O)C(=O)C2 from the molecule halo.,CC1(C)C2CCC1(C=S=O)C(=O)C2
LogP,Optimize the molecule COc1cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)N4CCCC(C)C4)c3C)CC2)ccc1NC(C)=O to have a lower LogP value.,COc1cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)N(C)C(=O)N3CCCC(C)C3)CC2)ccc1NC(C)=O
MR,Modify the molecule N#Cc1ccnc(NC2C3C4CCC(C4)C23)c1 to have a lower MR value.,c1ccc(NC2C3C4CCC(C4)C23)nc1
QED,Optimize the molecule O=S(=O)(NCc1ncc[nH]1)c1cc(Cl)cc(CO)c1F to have a lower QED value.,O=S(=O)(NCc1ncc[nH]1)c1cc(Cl)c(O)c(CO)c1F
AtomNum,"There is a molecule consisting of 19 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C(C)Oc2ccc(F)cc2)c1
BondNum,"Please generate a molecule consisting 27 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC1=C2CC3C(CC2(C)CCC1)OC(=O)C3C[NH+]1CCN(CC=Cc2ccccc2)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",Cc1ccc(C(=O)NCc2cc(C)n(C)n2)cc1C
AddComponent,Modify the molecule O=C(C1CCC1)C(C1CCc2ccccc2N1)[NH+]1CCN(c2cccc3c2OCCO3)CC1 by adding a hydroxyl.,O=C(C1CCC1)C(C1CCc2ccccc2N1)[NH+]1CCN(c2c(O)ccc3c2OCCO3)CC1
SubComponent,Substitute a halo in the molecule CC(=O)N(C(=O)C(C)Cl)c1ccc(N)cc1 with a nitro.,CC(=O)N(C(=O)C(C)NO)c1ccc(N)cc1
DelComponent,Remove a benzene ring from the molecule CC1CN(c2ccc(N)cc2C(F)F)CC(CO)O1.,CC1CN(C(N)(F)F)CC(CO)O1
LogP,Modify the molecule C[NH+]1CCN(c2nnnn2-c2ccccc2)CC12CCC(=O)N(CCO)CC2 to decrease its LogP value.,C[NH+]1CCN(c2nnnn2-c2ccccc2)CC12CCC(=O)N(CCO)CC2O
MR,Please modify the molecule OC(CCl)Cc1ccc(CC(O)CCl)cc1 to decrease its MR value.,OC(CCl)CCC(O)CCl
QED,Please optimize the molecule CC(C)CCNC(=O)c1ccc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc1 to have a lower QED value.,CC(C)CCNC(=O)c1ccc(Nc2nccc(N3CCCc4cc(NO)ccc43)n2)cc1
AtomNum,"Please generate a molecule with 16 carbon atoms, and 5 nitrogen atoms.",CCC(c1ccccc1)n1c(N)nc2c(C)nn(CC)c21
BondNum,"There is a molecule composed of 9 single bonds, 1 double bond, 6 rotatable bonds, and 5 aromatic bonds.",CCCCc1ccc(C=O)n1CC(C)C
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 2 amide groups.",Cc1cc2oc3c(c(=O)c2cc1C)C1(C(=O)N(Cc2ccccc2)c2ccccc21)N(CCc1ccccc1)C3=O
AddComponent,Add a benzene ring to the molecule CCc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1.,CCc1ccc(C(=O)NNC(=O)OC(C)(C)C)c(-c2ccccc2)c1
SubComponent,Modify the molecule O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 by substituting a halo with a thiol.,O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2cccc(S)c2)c(Cl)c1
DelComponent,Please remove a Cc1c(Cl)cccc1NC(=S)NCc1ccn(C)n1 from the molecule amine.,Cc1c(Cl)cccc1NC(=S)Cc1ccn(C)n1
LogP,Optimize the molecule COc1cc(C=Cc2ccc3ccc(C(C)=O)cc3n2)ccc1O to have a lower LogP value.,COc1cc(C=Cc2ccc3cc(C(=O)O)c(C(C)=O)cc3n2)ccc1O
MR,Modify the molecule Cc1ccc(N)c(CN(C)CC(F)F)c1 to increase its MR value.,CN(Cc1cc(Cc2ccccc2)ccc1N)CC(F)F
QED,Optimize the molecule C[NH+](C)CCCNC(=O)CCCc1ccc2c(c1)OCCO2 to have a lower QED value.,C[NH+](C)CCCNC(=O)CCCc1ccc2c(c1)OCC(c1ccccc1)O2
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",CN(C)C(=O)OC(c1cnccc1C(F)(F)F)c1cccc2ccccc12
BondNum,"Please generate a molecule composed of 10 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",COc1cc(Cl)c(C2(C)CC2[NH3+])cc1Cl
FunctionalGroup,"Please generate a molecule with 1 amide group, 1 halo group, 1 sulfide group, and 1 sulfone group.",O=C(C1CN(S(=O)(=O)c2ccc(Cl)s2)c2ccccc2O1)N1CCCCC1
AddComponent,Add a hydroxyl to the molecule c1cc2ccc3c(c2[nH]1)C(C1CSC[NH2+]1)NCC3.,Oc1cc2cc[nH]c2c2c1CCNC2C1CSC[NH2+]1
SubComponent,Please substitute a halo in the molecule COC(c1ccc(C(O)N2CC[NH2+]CC2)cc1)C(C)CF with a nitro.,COC(c1ccc(C(O)N2CC[NH2+]CC2)cc1)C(C)CNO
DelComponent,Please remove a COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C(NS(=O)C(C)(C)C)C2NS(=O)C(C)(C)C from the molecule amine.,COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C(S(=O)C(C)(C)C)C2NS(=O)C(C)(C)C
LogP,Optimize the molecule O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccnc(N3CCCC3)n2)c1 to have a lower LogP value.,O=C(NCl)Nc1cccc(-c2ccnc(N3CCCC3)n2)c1
MR,Modify the molecule CCC(C)COC(=O)c1ccc(-c2cc3c(OCCCCCCCCCCCCOC(=O)C(C)(CO)CO)cccc3o2)cc1 to have a lower MR value.,CCC(C)COC(=O)c1ccc(-c2cc3c(OCCCCCCCCCCCCOC(=O)C(C)(C)CO)cccc3o2)cc1
QED,Modify the molecule CC#CC[NH+]1CCC=C(CN(C)C(=O)C=Cc2ccccc2)C1 to increase its QED value.,CC#CC[NH+]1CCC=C(CCCc2ccccc2)C1
AtomNum,"The molecule has 12 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",COCc1ccc(F)c(-c2cnn(C)c2N)c1
BondNum,"Please generate a molecule with 6 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",NC(=O)Oc1cccnc1OC(N)=O
FunctionalGroup,There is a molecule with and 1 hydroxyl group.,Cc1oc(C[NH2+]CC(C)CO)cc1C(=O)[O-]
AddComponent,Add a amine to the molecule S=c1nc2sc3c(c2c(-c2ccccc2)n1CC[NH+]1CCCC1)CCCC3.,NC1CC[NH+](CCn2c(-c3ccccc3)c3c4c(sc3nc2=S)CCCC4)C1
SubComponent,Please substitute a halo in the molecule COc1ccc(CNC(=O)c2ccoc2CN2c3ccccc3CC2C)cc1F with a carboxyl.,COc1ccc(CNC(=O)c2ccoc2CN2c3ccccc3CC2C)cc1C(=O)[OH]
DelComponent,Please remove a C=C(C)CN(C)S(=O)(=O)c1cc(CO)ccc1Br from the molecule hydroxyl.,C=C(C)CN(C)S(=O)(=O)c1cc(C)ccc1Br
LogP,Optimize the molecule NC(=O)C(N)C[NH2+]CCC1=CCCC1 to have a lower LogP value.,NC(=O)C(N)C[NH2+]C(CC1=CCCC1)C(=O)O
MR,Please optimize the molecule CCC[NH2+]C1CCN(CC[NH+](C)C(C)CC)C1=O to have a higher MR value.,CCC[NH2+]C1CCN(CC[NH+](C)C(CC)Cc2ccccc2)C1=O
QED,Please optimize the molecule COc1cccc(OC)c1-c1ccc(-c2ccc(Oc3ccccc3)cc2)c(Cl)c1Cl to have a higher QED value.,COc1cccc(OC)c1-c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1Cl
AtomNum,"There is a molecule consisting of 18 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC[NH+](CC)Cc1oc2ccccc2c1C[NH2+]CC(C)C
BondNum,"Please generate a molecule composed of 14 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",O=C(c1cnn2cc(Cl)ccc12)N1CC[NH+](CCc2ccc(F)cc2F)CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 thioether group, and 1 sulfide group.",[NH3+]CCCCSc1ccccc1C(=O)[O-]
AddComponent,Modify the molecule O=C1Nc2c(Cl)ccc(O)c2C2(CCCC2)N1 by adding a thiol.,O=C1Nc2c(Cl)cc(S)c(O)c2C2(CCCC2)N1
SubComponent,Please substitute a halo in the molecule CN(CC(=O)NC1CCCC1)c1nc(Cc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)nc(Cl)c1CC(=O)[O-] with a hydroxyl.,CN(CC(=O)NC1CCCC1)c1nc(Cc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)nc(O)c1CC(=O)[O-]
DelComponent,Please remove a hydroxyl from the molecule CC1=CC2C(=O)N(NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)C2CC1C1CC(=O)N(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O.,CC1=CC2C(=O)N(NC(=O)CCc3cc(C(C)(C)C)cc(C(C)(C)C)c3)C(=O)C2CC1C1CC(=O)N(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O
LogP,Optimize the molecule Cc1c(-c2cnoc2N)cc2c(c1Cl)OCO2 to have a lower LogP value.,Cc1cc2c(cc1-c1cnoc1N)OCO2
MR,Optimize the molecule O=C([O-])Cc1cc2c(Cl)cccn2c1 to have a higher MR value.,O=C([O-])Cc1cc2c(Cl)c(-c3ccccc3)ccn2c1
QED,Please optimize the molecule Cc1ccc(C(=O)C(C)[NH2+]CC(=O)[O-])cc1C to have a lower QED value.,CCC(=O)C(C)[NH2+]CC(=O)[O-]
AtomNum,"There is a molecule with 8 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cn1cc(CC(=O)CS(C)(=O)=O)cn1
BondNum,"The molecule contains 8 single bonds, 1 double bond, 2 rotatable bonds, and 18 aromatic bonds.",O=C(NC1c2ccccc2Oc2ccccc21)c1ccccc1O
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 hydroxyl group.",COc1cc(-c2cc(=O)c3ccccc3o2)c(O)c(OC)c1OC
AddComponent,Add a amine to the molecule COc1cccc(NC(=O)C[NH2+]CC2(C)CCOCC2)c1.,COc1cccc(NC(=O)C[NH2+]CC2(C)CCOCC2N)c1
SubComponent,Please substitute a halo in the molecule C[NH+](CC(N)=[NH+]O)Cc1cc(F)cc(F)c1 with a carboxyl.,C[NH+](CC(N)=[NH+]O)Cc1cc(F)cc(C(=O)[OH])c1
DelComponent,Modify the molecule O=C(Nc1cccc(Cl)c1Cl)C(Sc1ccccc1)c1ccccc1 by removing a halo.,O=C(Nc1ccccc1Cl)C(Sc1ccccc1)c1ccccc1
LogP,Modify the molecule CCOCCN(CC)C(C[NH3+])c1cc(Cl)cs1 to have a lower LogP value.,CCOCCN(CC)C(C[NH3+])c1cccs1
MR,Please modify the molecule CC(NC(=O)C1CCCO1)c1nnnn1-c1cccc(Br)c1 to decrease its MR value.,CC(NC(=O)C1CCCO1)c1nnnn1-c1ccccc1
QED,Optimize the molecule CC(=O)Nc1ccc(CC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 to have a lower QED value.,CC(=O)NCC(=O)NCC(C)(C)[NH+]1CCCCC1
AtomNum,"There is a molecule with 12 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",Nc1nc(=O)c2nc(N)n(-c3cccc(CO)c3)c2[nH]1
BondNum,"Please generate a molecule consisting 6 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",CC([NH3+])c1nnc(-c2cc(Br)ccc2F)o1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, 1 nitrile group, and 1 sulfone group.",Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1
AddComponent,Modify the molecule Cc1ccc(NC(=O)COc2cccc(C[NH2+]C3C4CC5CC(C4)CC3C5)c2)cc1 by adding a benzene ring.,Cc1ccc(NC(=O)COc2cccc(C[NH2+]C3C4CC5CC(C4)C(c4ccccc4)C3C5)c2)cc1
SubComponent,Modify the molecule COC(C)(C)CC(C)NC(=O)N1CCC(CO)CC1 by substituting a hydroxyl with a aldehyde.,CC(=O)CC1CCN(C(=O)NC(C)CC(C)(C)OC)CC1
DelComponent,Modify the molecule amine by removing a CC(Nc1ccc(N2CCOCC2C)cc1)c1cccc(CO)c1.,CC(c1ccc(N2CCOCC2C)cc1)c1cccc(CO)c1
LogP,Please modify the molecule O=C(C[NH+]1CCN(c2ccnc3nncn23)CC1)Nc1ccc(Cl)cn1 to increase its LogP value.,Clc1ccc([NH+]2CCN(c3ccnc4nncn34)CC2)nc1
MR,Modify the molecule O=C(CSCc1c(Cl)cccc1Cl)NCCCN1CCCc2ccccc21 to have a lower MR value.,N#Cc1cccc(Cl)c1CSCC(=O)NCCCN1CCCc2ccccc21
QED,Optimize the molecule CCC1CCCC(n2ccc3c(Cl)cccc32)C1 to have a higher QED value.,CCC1CCCC(n2ccc3ccccc32)C1
AtomNum,"The molecule consists of 11 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cn1cncc1CSc1cccc(N)c1
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",COC1(C(=O)NCc2cnn(-c3ccccc3)c2)CC[NH2+]CC1
FunctionalGroup,"The molecule has 4 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 borane group.",B[P+](c1ccccc1)(c1ccccc1)C(Cc1ccccc1)C(=O)N(C)C(CO)c1ccccc1
AddComponent,Modify the molecule COC(=O)c1ccc(F)c(Cn2c([N+](=O)[O-])cnc2C)c1 by adding a amine.,COC(=O)c1cc(Cn2c([N+](=O)[O-])cnc2C)c(F)cc1N
SubComponent,Substitute a Fc1ccccc1Nc1cc2c(nn1)CC[NH2+]C2 in the molecule halo with a thiol.,Sc1ccccc1Nc1cc2c(nn1)CC[NH2+]C2
DelComponent,Please remove a amine from the molecule CC(=O)c1ccc(Nc2cc(C(=O)N3c4ccccc4CC3C)nc(C)n2)cc1.,CC(=O)c1ccc(-c2cc(C(=O)N3c4ccccc4CC3C)nc(C)n2)cc1
LogP,Optimize the molecule Cc1cc(C2=NNC(=[NH+]c3c(C)n(C)n(-c4ccccc4)c3=O)SC2)c(C)n1Cc1ccccc1 to have a higher LogP value.,Cc1cc(C2=NC(=[NH+]c3c(C)n(C)n(-c4ccccc4)c3=O)SC2)c(C)n1Cc1ccccc1
MR,Please optimize the molecule Cn1cc(CC[NH3+])c(-c2ccc(Cl)cc2)n1 to have a lower MR value.,Cn1cc(CC[NH3+])c(Cl)n1
QED,Modify the molecule N#CC(=CNc1cc(Cl)ccn1)C(=O)NCCc1ccccc1 to decrease its QED value.,N#CC(=CNc1cc(NO)ccn1)C(=O)NCCc1ccccc1
AtomNum,"The molecule consists of 11 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",C#CCCC[NH2+]CC(=O)NC(C)(C)C
BondNum,"Please generate a molecule composed of 14 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",C=C(CNC(=O)OC(C)(C)C)C(F)(F)C(=O)c1cccnc1Cl
FunctionalGroup,"There is a molecule with 1 ketone group, and 2 ester groups.",COC(=O)C1(C)CCC2(C)CCC3(C)C(=O)C4=C(CCC3(C)C2C1)C1(C)CCC(OC(C)=O)C(C)(C)C1C4
AddComponent,Add a benzene ring to the molecule Cc1cc(C)c(N2COc3c(ccc4c3CN(c3c(C)cc(C)cc3C)CO4)C2)c(C)c1.,Cc1cc(C)c(N2COc3c(ccc4c3CN(c3c(C)cc(C)c(-c5ccccc5)c3C)CO4)C2)c(C)c1
SubComponent,Substitute a hydroxyl in the molecule CC(O)CCN(C)c1c(F)cc(C[NH2+]C2CC2)cc1F with a halo.,CC(I)CCN(C)c1c(F)cc(C[NH2+]C2CC2)cc1F
DelComponent,Please remove a CC[NH2+]C(C)c1cccc(F)c1N1CC(C)OC(CO)C1 from the molecule halo.,CC[NH2+]C(C)c1ccccc1N1CC(C)OC(CO)C1
LogP,Modify the molecule CC1(C)c2ccc(-c3cccc(-c4ccccccc(-c5cccc6ccccc56)c5ccccc45)c3)cc2-c2cc3ccc4c5ccccc5sc4c3cc21 to have a lower LogP value.,CC1(C)c2ccc(-c3ccccccc(-c4cccc5ccccc45)c4ccccc34)cc2-c2cc3ccc4c5ccccc5sc4c3cc21
MR,Modify the molecule CC[NH2+]Cc1ccc(N(C)CCCCCO)cc1Br to have a higher MR value.,CC[NH2+]Cc1ccc(N(C)CCCCCS)cc1Br
QED,Please modify the molecule Nc1cccc(OCC[NH+](CCCl)CCCl)c1 to decrease its QED value.,N#CCC[NH+](CCCl)CCOc1cccc(N)c1
AtomNum,"There is a molecule with 13 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CN(CC(=O)NC1CC1)c1ccc(S(C)(=O)=O)cc1N
BondNum,"The molecule contains 13 single bonds, 1 double bond, and 2 rotatable bonds.",COC(=O)C(O)C1CC2CCC1C2
FunctionalGroup,"The molecule has 1 benzene ring group, and 3 amide groups.",CC(=NNC(=O)CCCCCN1C(=O)C=CC1=O)c1ccc(C(=O)[O-])cc1
AddComponent,Modify the molecule CCC1(C)C2CC3CC2C1(C)CC(C)C3C(C)C by adding a hydroxyl.,CCC1(C)C2CC3CC2C1(CO)CC(C)C3C(C)C
SubComponent,Substitute a Cc1ccc2occ(C=CC(=O)N3CCc4noc(-c5ccc(Cl)cc5)c4C3)c(=O)c2c1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(-c2onc3c2CN(C(=O)C=Cc2coc4ccc(C)cc4c2=O)CC3)cc1
DelComponent,Remove a amide from the molecule CCCNC(=O)NC(=O)CSc1nnnn1-c1ccc(C)cc1.,CCCNC(=O)Sc1nnnn1-c1ccc(C)cc1
LogP,Modify the molecule CCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc1 to decrease its LogP value.,CCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1
MR,Please optimize the molecule O=C([O-])c1ccc(Br)c(NC(=O)c2ccoc2Cl)c1 to have a lower MR value.,O=C([O-])N(Br)C(=O)c1ccoc1Cl
QED,Modify the molecule CC#CCCOc1ccc(C)cc1Br to have a lower QED value.,CC#CCCOc1ccc(C)cc1
AtomNum,"The molecule is composed of 16 carbon atoms, 5 nitrogen atoms, and 1 chlorine atom.",CCc1nc2nc(C)cc(NCCc3ccc(Cl)cc3)n2n1
BondNum,"There is a molecule with 14 single bonds, 1 double bond, 1 triple bond, 9 rotatable bonds, and 6 aromatic bonds.",CCN(CCC#N)c1ccc(C[NH2+]CCNC(C)=O)c(C)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 halo group, and 1 sulfone group.",CS(=O)(=O)c1ccc(-c2nnc(C#Cc3nnc(-c4cc[nH]c(=O)c4)o3)n2-c2ccccc2Cl)nc1
AddComponent,Modify the molecule CCCCn1c(SC(C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nc2ccccc2c1=O by adding a benzene ring.,CC(CCn1c(SC(C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nc2ccccc2c1=O)c1ccccc1
SubComponent,Modify the molecule nitrile by substituting a CSC1CCC(NC(=O)c2ccc(C#N)cc2)C1 with a carboxyl.,CSC1CCC(NC(=O)c2ccc(C(=O)[OH])cc2)C1
DelComponent,Modify the molecule [NH3+]C(c1ccccc1)c1ccc(N2CCCCCC2)nc1 by removing a benzene ring.,[NH3+]Cc1ccc(N2CCCCCC2)nc1
LogP,Modify the molecule O=C(NCc1cccc(N2CCCC2=O)c1)c1cnc(-c2ccccc2F)s1 to decrease its LogP value.,O=C(NCc1cccc(N2CCCC2=O)c1)c1cnc(-c2ccccc2)s1
MR,Please modify the molecule [C-]#[N+]c1c(C)cc(Cc2ccccc2)[nH]c1=O to decrease its MR value.,[C-]#[N+]c1c(C)cc(C)[nH]c1=O
QED,Modify the molecule [C-]#[N+]c1ccc2[nH]cc(CCC(=O)NCNc3c4c([nH+]c5cc(Cl)ccc35)CCCC4)c2c1 to have a higher QED value.,[C-]#[N+]c1ccc2[nH]cc(CCC(=O)NCNc3c4c([nH+]c5ccccc35)CCCC4)c2c1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",CCOC(=O)CN(C)C(=O)CSc1ccc(Br)cc1
BondNum,"The molecule contains 25 single bonds, 1 double bond, 10 rotatable bonds, and 6 aromatic bonds.",CCC[NH+]1CCC([NH2+]C2CC(C(=O)NCCOC)N(Cc3ccc(Cl)cc3)C2)CC1
FunctionalGroup,The molecule has and 7 halo groups.,O=C([O-])c1c(OC(F)(F)F)ncc(CCl)c1C(F)(F)F
AddComponent,Please add a hydroxyl to the molecule CCCCCCCCCCC(OCOC)C1CCC(C(CCC=O)OS(=O)(=O)c2ccc(C)cc2)O1.,CCCCCC(O)CCCCC(OCOC)C1CCC(C(CCC=O)OS(=O)(=O)c2ccc(C)cc2)O1
SubComponent,Please substitute a halo in the molecule CN(Cc1csc(Br)c1)c1cc[nH+]c(Cl)c1 with a thiol.,CN(Cc1csc(S)c1)c1cc[nH+]c(Cl)c1
DelComponent,Remove a hydroxyl from the molecule CC=C(C)Cn1c(-c2cccc(O)c2)nc2ccccc21.,CC=C(C)Cn1c(-c2ccccc2)nc2ccccc21
LogP,Please modify the molecule CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCCC(O)C3)cc2Cl)CC1 to decrease its LogP value.,CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCCC(NO)C3)cc2Cl)CC1
MR,Modify the molecule O=C([O-])N(CC1CCOC1)c1cnccc1I to decrease its MR value.,O=C([O-])N(CC1CCOC1)c1cccnc1
QED,Modify the molecule OCC1CCCC1C[NH2+]C1CCC(C(F)(F)F)CC1 to have a lower QED value.,FC(F)(F)C1CCC([NH2+]CC2CCCC2CS)CC1
AtomNum,"The molecule is composed of 20 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 fluorine atom.",C#CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)nc(F)nc21
BondNum,"There is a molecule composed of 12 single bonds, 1 double bond, 1 rotatable bond, and 10 aromatic bonds.",Cc1nc2c(C)cc(Br)cn2c1C(=O)N1CCC[NH2+]CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amide group.",CCN(Cc1ccc(OC)cc1)C(=O)CCCCC(=O)[O-]
AddComponent,Add a carboxyl to the molecule Oc1cnccc1-c1nc2cc(F)c(F)cc2[nH]1.,O=C(O)c1nccc(-c2nc3cc(F)c(F)cc3[nH]2)c1O
SubComponent,Please substitute a halo in the molecule O=C([O-])C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1cnc(N2CCC(CCCC3CCN(S(=O)(=O)c4cc(Br)c(Cl)s4)CC3)CC2)c(Br)c1 with a aldehyde.,CC(=O)c1ccc(CC(NS(=O)(=O)c2cnc(N3CCC(CCCC4CCN(S(=O)(=O)c5cc(Br)c(Cl)s5)CC4)CC3)c(Br)c2)C(=O)[O-])cc1
DelComponent,Remove a hydroxyl from the molecule Cc1cc(C)n2ncc(-c3noc(C4(O)CCCC4)n3)c2n1.,Cc1cc(C)n2ncc(-c3noc(C4CCCC4)n3)c2n1
LogP,Modify the molecule COc1cc(Br)c(OCc2csc(C(=O)[O-])n2)cc1Br to decrease its LogP value.,COc1cc(C(=O)[OH])c(OCc2csc(C(=O)[O-])n2)cc1Br
MR,Please optimize the molecule COC(=O)CCC(NC(=O)Cc1ccccc1)ON to have a higher MR value.,COC(=O)CCC(NC(=O)Cc1ccccc1O)ON
QED,Please modify the molecule CCC(C)(C)N(C(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)c1cccc(O)c1 to increase its QED value.,CCC(C)(C)N(C(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1
AtomNum,"Please generate a molecule with 18 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC(=O)N1CCC(C(=O)NCCc2ccc3nc(C)oc3c2)CC1
BondNum,"The molecule is composed of 11 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",Cc1c(C(=O)NCCC[NH+](C)C)cccc1[N+](=O)[O-]
FunctionalGroup,"The molecule has 2 amide groups, and 1 halo group.",NC(=O)CCN1C(=O)COc2ccc(Br)cc21
AddComponent,Please add a hydroxyl to the molecule O=C([O-])C1CCN(C(=O)Nc2ccc3c4c(cccc24)CC3)C1.,O=C([O-])C1CN(C(=O)Nc2ccc3c4c(cccc24)CC3)CC1O
SubComponent,Please substitute a hydroxyl in the molecule COC(=O)C(O)C1(C[NH3+])CCC(C(C)C)CC1 with a thiol.,COC(=O)C(S)C1(C[NH3+])CCC(C(C)C)CC1
DelComponent,Please remove a benzene ring from the molecule c1ccc(N(c2ccc3c(c2)-c2ccccc2Oc2ccccc2-3)c2ccc3c(c2)-c2ccccc2-c2ccccc2C32c3ccccc3-c3c2ccc2oc4ccccc4c32)cc1.,c1ccc2c(c1)Oc1ccccc1-c1cc(Nc3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4c3ccc3oc5ccccc5c43)ccc1-2
LogP,Modify the molecule N#CC1=CCC(C2Nc3ccccc3C3[NH2+]CCC32)C=C1 to increase its LogP value.,C1=CCC(C2Nc3ccccc3C3[NH2+]CCC32)C=C1
MR,Please optimize the molecule CCc1ccc(S(=O)(=O)C(N)C2CCOc3c(OCC(=O)[O-])cccc32)cc1 to have a higher MR value.,CCc1ccc(S(=O)(=O)C(N)C2c3cccc(OCC(=O)[O-])c3OCC2c2ccccc2)cc1
QED,Optimize the molecule CC(C)Cc1c(C(=O)[O-])ccc(F)c1Br to have a lower QED value.,CC(C)Cc1c(C(=O)[O-])ccc(NO)c1Br
AtomNum,"Please generate a molecule with 24 carbon atoms, 3 oxygen atoms, 7 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CN(C)c1nccc(N2CCC(CN3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3=O)CC2)n1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",CCNC(NCCc1ccc(C)cc1)=[NH+]CC(C)(O)c1ccsc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amine groups, and 1 halo group.",CCOC(C1CC1)C(Cc1cccc(Cl)c1)NN
AddComponent,Add a carboxyl to the molecule C[NH+](C)CCOCC[NH2+]CC(=O)NC1CCOCC1.,C[NH+](C)CCOCC[NH2+]CC(=O)NC1CCOC(C(=O)O)C1
SubComponent,Modify the molecule nitro by substituting a O=[N+]([O-])c1ccccc1CC[NH2+]CCC1=CCCC1 with a thiol.,O=[SH]c1ccccc1CC[NH2+]CCC1=CCCC1
DelComponent,Modify the molecule halo by removing a CN(C)S(=O)(=O)N(C)Cc1cc(Br)cs1.,CN(C)S(=O)(=O)N(C)Cc1cccs1
LogP,Please modify the molecule CC1c2ccccc2CCC1(C)C[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 to decrease its LogP value.,CC1c2ccccc2CCC1(C)C[NH+]1CCN(CCOCc2ccccc2)CC1
MR,Modify the molecule COc1nn(CCC(=O)N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)cc1[N+](=O)[O-] to decrease its MR value.,COc1nn(CC2CCN(S(=O)(=O)c3cnn(C)c3C)C2)cc1[N+](=O)[O-]
QED,Optimize the molecule Fc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)c(Cl)c3)SC2)cc1 to have a higher QED value.,Fc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)cc1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",Cc1cc(C[NH+]2CC(CCl)OCC2C)c2ccccc2n1
BondNum,"The molecule is composed of 11 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CON=C(CNC(=O)C1CC1)c1ccc(Cl)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amide groups, and 3 halo groups.",CC([NH2+]C1CCC(=O)NC1=O)c1ccc(C(F)(F)F)cc1
AddComponent,Add a benzene ring to the molecule O=C(Nc1c[nH]c2ncc(Br)cc12)Oc1cnn(Cc2ccccc2F)c1.,O=C(Nc1c[nH]c2ncc(Br)cc12)Oc1cnn(Cc2c(F)cccc2-c2ccccc2)c1
SubComponent,Substitute a halo in the molecule Cc1cc(-c2ccc(F)cc2)ccc1N1CC[NH+](CC2(c3ccccc3)CC2)CC1 with a carboxyl.,Cc1cc(-c2ccc(C(=O)[OH])cc2)ccc1N1CC[NH+](CC2(c3ccccc3)CC2)CC1
DelComponent,Remove a CN1CCCc2cc(NC(=O)Cn3cc(N)nn3)ccc21 from the molecule amine.,CN1CCCc2cc(NC(=O)Cn3ccnn3)ccc21
LogP,Modify the molecule CSc1ccccc1NC(=O)C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccccc1 to increase its LogP value.,CSc1ccccc1N(C(=S)Nc1ccccc1C(F)(F)F)c1ccccc1
MR,Please modify the molecule CCSC=C(C(=O)ONc1ccc(F)c(F)c1)C(=O)ONc1ccc(F)c(F)c1 to increase its MR value.,CC(SC=C(C(=O)ONc1ccc(F)c(F)c1)C(=O)ONc1ccc(F)c(F)c1)c1ccccc1
QED,Please optimize the molecule CCNc1nc(OC2CCCC2)c2ccsc2n1 to have a lower QED value.,CCc1nc(OC2CCCC2)c2ccsc2n1
AtomNum,"The molecule is composed of 14 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CCN(C(=O)CS(=O)c1nc2ccc(N)cc2s1)C1CC1
BondNum,"Please generate a molecule composed of 15 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",C[NH2+]C(C)c1ccc(N2CC(CO)OCC2C)cc1Br
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 hydroxyl group, 1 ester group, and 1 amide group.",CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OCC)c3)C2c2ccncc2)c1
AddComponent,Please add a carboxyl to the molecule CC1(C)C(C(=O)C2C(c3ccccc3)C2(C)C)C1c1ccccc1.,CC1(C)C(C(=O)C2C(c3ccc(C(=O)O)cc3)C2(C)C)C1c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule Nc1nc(=O)c2nc(CNc3ccc(C(=O)NCC(=O)NCC(=O)On4c(O)ccc4O)cc3)cnc2[nH]1 with a nitro.,Nc1nc(=O)c2nc(CNc3ccc(C(=O)NCC(=O)NCC(=O)On4c(O)ccc4NO)cc3)cnc2[nH]1
DelComponent,Modify the molecule halo by removing a COCCNC(=O)c1c(F)cc(OCc2ccc(F)cc2)cc1F.,COCCNC(=O)c1ccc(OCc2ccc(F)cc2)cc1F
LogP,Optimize the molecule COc1ccc(NCc2cc(Br)ccc2O)cc1O to have a lower LogP value.,CC(=O)c1ccc(O)c(CNc2ccc(OC)c(O)c2)c1
MR,Optimize the molecule Cc1ccc(N(CCC(=O)Nc2ccc(C#N)cc2)C(C)C)cc1 to have a higher MR value.,Cc1ccc(N(CCC(=O)Nc2ccc(NO)cc2)C(C)C)cc1
QED,Please optimize the molecule Fc1ccc2c(c1)CCC2Nc1cccc2[nH]ncc12 to have a higher QED value.,N#Cc1ccc2c(c1)CCC2Nc1cccc2[nH]ncc12
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 chlorine atoms.",CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)c(Cl)c1
BondNum,"The molecule contains 14 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CCNC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 6 halo groups, 1 thioether group, and 1 sulfide group.",Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1SC(F)(F)C(F)F
AddComponent,Modify the molecule Cc1ccc(S(=O)(=O)[O-])c([Si](C)(C)C(C)C)c1 by adding a benzene ring.,Cc1ccc(S(=O)(=O)[O-])c([Si](C)(C)C(C)Cc2ccccc2)c1
SubComponent,Modify the molecule hydroxyl by substituting a CCCn1cncc1C(CO)Nc1cccc(Cl)c1 with a aldehyde.,CC(=O)CC(Nc1cccc(Cl)c1)c1cncn1CCC
DelComponent,Modify the molecule halo by removing a Cc1nc(C(N)=O)cc(F)c1C(F)F.,Cc1nc(C(N)=O)cc(F)c1CF
LogP,Optimize the molecule CCOc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)cc1 to have a lower LogP value.,CCOc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc(C#N)cc3Cl)o2)S(=O)(=O)c2ccccc2)cc1
MR,Modify the molecule COc1cc(C)c(SN2CCCCC2COCC(=O)NCc2ccccc2Oc2cnccn2)c(C)c1 to have a lower MR value.,COCCSN1CCCCC1COCC(=O)NCc1ccccc1Oc1cnccn1
QED,Please modify the molecule Cc1ccccc1CNC(=O)c1ccc(Nc2ccccc2C)nn1 to increase its QED value.,CCNC(=O)c1ccc(Nc2ccccc2C)nn1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCOc1ccc(C(=O)Nc2ccccc2N2CCNC(=O)C2)cc1
BondNum,"Please generate a molecule consisting 7 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",CNc1ncnc(N)c1C(=N)c1ccc(Cl)c(O)c1
FunctionalGroup,"The molecule contains 1 amine group, and 3 halo groups.",Cc1nc(C(F)(F)F)nc(NCc2ccco2)c1C(=O)[O-]
AddComponent,Modify the molecule CC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccc(CC(=O)OCC2c3ccccc3-c3ccccc32)cc1 by adding a amine.,CC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccc(N)cc1)NC(=O)c1ccc(CC(=O)OCC2c3ccccc3-c3ccccc32)cc1
SubComponent,Substitute a halo in the molecule CC(C)CNc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cn1 with a aldehyde.,CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NCC(C)C)nc2)c1
DelComponent,Modify the molecule CC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2cccc(OC(C)C)c2)cc1 by removing a hydroxyl.,CC(=O)Nc1ccc(N2C(=O)C=C(c3ccc(Cl)cc3)C2c2cccc(OC(C)C)c2)cc1
LogP,Optimize the molecule CC(C)(C)OC(=O)[NH+]=C(N)c1cc2c(O)cccc2s1 to have a higher LogP value.,CC(=O)c1cccc2sc(C(N)=[NH+]C(=O)OC(C)(C)C)cc12
MR,Please modify the molecule Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1C to decrease its MR value.,Cc1cc(Cl)c(Cl)cc1S(=O)(=O)c1cccc(Cl)c1C
QED,Modify the molecule Cc1cc(CNc2cc(Cl)c([O-])c(Cl)c2)ccc1Br to have a lower QED value.,Cc1cc(Cc2cc(Cl)c([O-])c(Cl)c2)ccc1Br
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",CN(C)C(=O)N1CC2C[NH+](Cc3ccc(F)c(F)c3)CC2(C(=O)[O-])C1
BondNum,"There is a molecule consisting of 20 single bonds, 1 double bond, and 6 rotatable bonds.",CCC(C)COP(=O)([O-])OC1C(O)C(C)C(C)C(C)C1O
FunctionalGroup,There is a molecule with and 1 halo group.,Cc1nc(C2CN(c3ccc(F)cn3)CCO2)n[nH]1
AddComponent,Modify the molecule O=C(NC1CCN(c2ccccc2)C(F)C1C12CCC(CC(O)C1)N2C(=O)[O-])C1CCC1 by adding a nitrile.,N#Cc1ccc(N2CCC(NC(=O)C3CCC3)C(C34CCC(CC(O)C3)N4C(=O)[O-])C2F)cc1
SubComponent,Substitute a Cc1ccc(-c2ccc(C(F)(F)F)cc2N)cn1 in the molecule halo with a nitro.,Cc1ccc(-c2ccc(C(F)(F)NO)cc2N)cn1
DelComponent,Please remove a CC(C)N(C)S(=O)(=O)NCCCCC(=O)[O-] from the molecule amine.,CC(C)N(C)S(=O)(=O)CCCCC(=O)[O-]
LogP,Modify the molecule NCC1(C(F)(F)F)CCOC1 to increase its LogP value.,NCC1(C(F)(F)F)CCOC1c1ccccc1
MR,Please modify the molecule CC(C)n1ccc(Cc2nc(=O)c3ccc(F)cc3[nH]2)n1 to increase its MR value.,CC(C)n1ccc(Cc2nc(=O)c3ccccc3[nH]2)n1
QED,Modify the molecule COc1ccc(CC(=O)N2CCCC(c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)cc1OC to increase its QED value.,COc1ccc(C2CCCC2c2cc3nc(C)c(C)c(=O)n3[nH]2)cc1OC
AtomNum,"Please generate a molecule with 39 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CC(C)C(NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)NC3CCCC3)ccc2Cl)CC1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1
BondNum,"Please generate a molecule consisting 13 single bonds, 2 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",COc1ccc(-c2cccc(CF)c2)c2c1C(=O)C(Cc1ccc(C(=O)[O-])cc1)C2
FunctionalGroup,"The molecule contains 1 amine group, and 1 nitro group.",NN=C1CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21
AddComponent,Add a carboxyl to the molecule C#CCN(C)C(=O)CC1CSCC[NH2+]1.,C#CC(C(=O)O)N(C)C(=O)CC1CSCC[NH2+]1
SubComponent,Modify the molecule hydroxyl by substituting a COc1ccccc1S(=O)(=O)N1CCC(O)C(C)C1 with a aldehyde.,CC(=O)C1CCN(S(=O)(=O)c2ccccc2OC)CC1C
DelComponent,Remove a CCCNC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 from the molecule benzene ring.,CCCNC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cccc(NC(=O)Cl)c2)CC1
LogP,Optimize the molecule CCNC(=O)c1c(C)sc2nc(Cc3cc(F)ccc3C3CC3)cc(=O)n12 to have a lower LogP value.,CCNC(=O)c1c(C)sc2nc(Cc3ccccc3C3CC3)cc(=O)n12
MR,Please modify the molecule C=CC=CCC=CCOc1coc(COC(=O)c2ccccc2)cc1=O to increase its MR value.,C=CC=CCC=CCOc1coc(COC(=O)c2ccccc2)c(-c2ccccc2)c1=O
QED,Please modify the molecule COc1cccc(OC(=O)C2(C(F)(F)F)CO2)c1 to decrease its QED value.,COOC(=O)C1(C(F)(F)F)CO1
AtomNum,"There is a molecule with 32 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CC(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1
BondNum,"Please generate a molecule consisting 9 single bonds, 6 rotatable bonds, and 17 aromatic bonds.",CCCCOc1cccc(-c2c(N)sc(-c3ccccc3)c2O)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, and 1 sulfone group.",Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCCc1ccc2c(c1)OCO2
AddComponent,Add a benzene ring to the molecule CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(CN(C)C(=O)[O-])CCC3(C)CCC12C.,CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C1(C)CCC1(C)CCC(C)(CN(C)C(=O)[O-])CC12c1ccccc1
SubComponent,Please substitute a halo in the molecule Brc1ccccc1-c1nnc(-c2ccc(Br)c(Br)c2Br)s1 with a aldehyde.,CC(=O)c1ccccc1-c1nnc(-c2ccc(Br)c(Br)c2Br)s1
DelComponent,Remove a benzene ring from the molecule COC(=O)CNC(=O)C(c1ccc(C)cc1C)N(C(=O)C(C)NC(=O)OC(C)(C)C)C1CC1.,CCC(C(=O)NCC(=O)OC)N(C(=O)C(C)NC(=O)OC(C)(C)C)C1CC1
LogP,Please modify the molecule O=C(NCC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CCCCC1 to increase its LogP value.,O=C(C1CCCCC1)N1CCC(C[NH+]2CCOCC2)CC1
MR,Please optimize the molecule COc1cc(-c2oc3ccccc3c(=O)c2OC(=O)C(C)(C)C)cc(Br)c1OC to have a lower MR value.,COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)C(C)(C)C)cc1OC
QED,Modify the molecule COC(=O)C(=CNc1ccccc1N)NC(=O)c1ccccc1 to increase its QED value.,COC(=O)C(=CNc1ccccc1)NC(=O)c1ccccc1
AtomNum,"There is a molecule composed of 35 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 2 chlorine atoms.",CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1
BondNum,"There is a molecule with 16 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C(Nc1ccc(Br)cn1)C1CCC[NH+](C2CCOC2=O)C1
FunctionalGroup,The molecule contains and 1 benzene ring group.,COC(CCc1ccccc1)(OC)C(C)[NH3+]
AddComponent,Modify the molecule Fc1ccc(CC2[NH2+]CCO2)cc1 by adding a amine.,Nc1cc(CC2[NH2+]CCO2)ccc1F
SubComponent,Please substitute a CCOC(=O)CSc1nnc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)s1 in the molecule halo with a carboxyl.,CCOC(=O)CSc1nnc(NC(=O)c2nn(-c3ccccc3C(F)(F)C(=O)[OH])c(C)cc2=O)s1
DelComponent,Remove a amide from the molecule O=C(CC1CC[NH+](C2CC2)CC1)NC1CCCCC1.,C1CCC(C2CC[NH+](C3CC3)CC2)CC1
LogP,Please modify the molecule CCNC(NCC(C)Oc1cccc(OC)c1)=[NH+]CC(=O)OC(C)(C)C to decrease its LogP value.,CCNC(NC(C(=O)O)C(C)Oc1cccc(OC)c1)=[NH+]CC(=O)OC(C)(C)C
MR,Please modify the molecule COc1ccc2c(c1)c(CC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)c(C)n2C(=O)c1ccc(Cl)cc1 to decrease its MR value.,COc1ccc2c(c1)c(CC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)c(C)n2C(=O)Cl
QED,Optimize the molecule CN(C)c1ccc(C(NN)c2c(Br)nnn2C)cc1 to have a lower QED value.,CN(C)c1ccc(C(NN)c2c(Br)nnn2C)c(-c2ccccc2)c1
AtomNum,"The molecule is composed of 24 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",CCC(NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1[nH]c(-c2ccccc2)c[nH+]1
BondNum,"There is a molecule consisting of 21 single bonds, 2 double bonds, and 17 rotatable bonds.",CCCCCC(O)CCCCCCCCCCC(CC)S(=O)(=O)[O-]
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 2 amine groups, and 1 halo group.",CC(C)(C)n1nnc(-c2cccc(CNc3n[nH]c4ncnc(Nc5cccc(Cl)c5)c34)c2)n1
AddComponent,Add a carboxyl to the molecule CC(=O)N1CCc2cc(NC(=O)c3cn(-c4ccc(F)cc4)nc3-c3ccc(C)cc3)ccc21.,CC(=O)N1CCc2cc(NC(=O)c3cn(-c4ccc(F)cc4)nc3-c3ccc(C)c(C(=O)O)c3)ccc21
SubComponent,Substitute a CC(O)C(C)Oc1cc(NS(=O)(=O)N2CC[NH2+]CC2C)nc(SCc2cccc(F)c2F)n1 in the molecule halo with a aldehyde.,CC(=O)c1cccc(CSc2nc(NS(=O)(=O)N3CC[NH2+]CC3C)cc(OC(C)C(C)O)n2)c1F
DelComponent,Remove a O=C(Cl)c1ccc2c(Cl)c3c(nc2c1)CCCC3 from the molecule halo.,O=C(Cl)c1ccc2cc3c(nc2c1)CCCC3
LogP,Modify the molecule C[NH2+]C(C)(C(=O)[O-])c1ccc(C(F)(F)F)cc1 to decrease its LogP value.,C[NH2+]C(C)(C(=O)[O-])c1ccc(C(F)F)cc1
MR,Please modify the molecule NC(=O)C([NH3+])CSc1c(Cl)cccc1Cl to decrease its MR value.,NC(=O)C([NH3+])C[SH](Cl)Cl
QED,Modify the molecule [NH3+]Cc1ccccc1OCCC(F)F to decrease its QED value.,[NH3+]COCCC(F)F
AtomNum,"There is a molecule consisting of 15 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1cccc(C(=O)C#C[NH+]2CCCCC2)c1
BondNum,"There is a molecule with 20 single bonds, 2 double bonds, and 5 rotatable bonds.",CCNC(=[NH+]CCC(C)(C)C)N1CCC(C(=O)OCC)CC1
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,C=CC1C[N+]2(Cc3cccc4ccccc34)CCC1CC2C(OCc1ccccc1)c1ccnc2ccccc12
AddComponent,Please add a aldehyde to the molecule C[NH2+]C(c1ccc(Br)cc1)c1ccc(Br)cc1C(F)(F)F.,C[NH2+]C(c1ccc(Br)cc1)c1c(CC=O)cc(Br)cc1C(F)(F)F
SubComponent,Modify the molecule hydroxyl by substituting a O=C(NCC[NH+]1CCCOCC1)N1CCCC(O)C1 with a nitro.,ONC1CCCN(C(=O)NCC[NH+]2CCCOCC2)C1
DelComponent,Modify the molecule hydroxyl by removing a COc1cc(N2CC(O)CC2C[NH+](C)C)cc[nH+]1.,COc1cc(N2CCCC2C[NH+](C)C)cc[nH+]1
LogP,Modify the molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO to increase its LogP value.,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MR,Please optimize the molecule CC(C)Oc1cccc(SC(C)Cc2ccc(-c3cc(=O)[nH]o3)cc2)c1 to have a lower MR value.,CC(C)Oc1cccc(SC(C)Cc2cc(=O)[nH]o2)c1
QED,Modify the molecule COC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc(C(=O)N(C)C)c1C to decrease its QED value.,COC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc(C(=O)N(C)Cc2ccccc2)c1C
AtomNum,"The molecule contains 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C(c1coc(C2CCOCC2)n1)N1CCCC1c1cccs1
BondNum,"Please generate a molecule consisting 10 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCOc1cc(C)ccc1NCc1ccc(CSC)o1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 2 amide groups, and 1 halo group.",Cc1cc(C)cc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)C(=O)NC2=S)c1
AddComponent,Please add a hydroxyl to the molecule CC(=O)c1ccc(N2CCN(c3nc(C)c4ccc(=O)n(-c5ccc(C(=O)NCc6ccc(C(F)(F)F)cc6)cc5)c4n3)CC2)cc1.,Cc1nc(N2CCN(c3ccc(C(=O)CO)cc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1
SubComponent,Substitute a COC1COCCC1[NH2+]Cc1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3 in the molecule halo with a nitro.,COC1COCCC1[NH2+]Cc1cc2cc(NO)c3c(c2o1)C1(CCCCC1)NC(=O)N3
DelComponent,Please remove a halo from the molecule FC1Cc2cnc(Cl)cc2-c2cc3ccccc3n21.,FC1Cc2cnccc2-c2cc3ccccc3n21
LogP,Please optimize the molecule Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc1O to have a lower LogP value.,Oc1ccc(-c2nc(-c3ccccc3)c(F)[nH]2)cc1O
MR,Optimize the molecule Cc1c(NC(=O)c2c(C(F)(F)F)nn(C)c2Cl)cccc1OC(C)C to have a higher MR value.,Cc1c(NC(=O)c2c(C(F)(F)F)nn(C)c2Cl)ccc(C(=O)O)c1OC(C)C
QED,Modify the molecule CC1(CN2CCCCC2=O)CCC[NH2+]C1 to decrease its QED value.,CC1(CC2CC2)CCC[NH2+]C1
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(C)CSc1nc2ccccc2n1CC(=O)[O-]
BondNum,"There is a molecule consisting of 15 single bonds, 2 double bonds, 2 rotatable bonds, and 11 aromatic bonds.",O=C(c1ccsc1)N1CCC2(CCCN(C(=O)c3cnccn3)C2)C1
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,CCCC[NH2+]CCCCOc1c(OC)cccc1OC
AddComponent,Please add a benzene ring to the molecule C=CCc1ccccc1OCCCCn1c(CCCNC(=O)C2CCCO2)nc2ccccc21.,C=CCc1ccccc1OC(CCCn1c(CCCNC(=O)C2CCCO2)nc2ccccc21)c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cc1cc(F)c(S(=O)(=O)Nc2cccc(C)c2Br)cc1N with a nitrile.,Cc1cc(C#N)c(S(=O)(=O)Nc2cccc(C)c2Br)cc1N
DelComponent,Remove a Cc1ccc(C)c(N(CCCC(=O)N(Cc2cccc(Cl)c2)C(Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 from the molecule halo.,Cc1ccc(C)c(N(CCCC(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1
LogP,Please optimize the molecule CCCCC1(CC)CS(=O)(=O)c2cc(C[NH2+]CCP(=O)(OCC)OCC)c(OC)cc2C(c2ccccc2)N1 to have a lower LogP value.,CCCCC1(CC)CS(=O)(=O)c2cc(C[NH2+]CCP(=O)(OCC)OCC)c(OC)cc2CN1
MR,Modify the molecule COC(=O)c1c(OC)cc(C(F)F)nc1N to increase its MR value.,COC(=O)c1c(OC)cc(C(F)NO)nc1N
QED,Please modify the molecule ClCC#Cc1ccc(Cl)cc1 to decrease its QED value.,ClC#CCCl
AtomNum,"The molecule consists of 12 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCn1nccc1C1(O)CC2CCC1C2
BondNum,"There is a molecule consisting of 5 single bonds, 1 rotatable bond, and 12 aromatic bonds.",Cc1cc(C)c(-c2cccc(C)n2)c(C)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 amine group, and 2 halo groups.",CC(C)CN(CCC(N)=S)C(=O)c1c(F)cccc1Br
AddComponent,Modify the molecule CC(C)(CCc1ccccn1)CN=O by adding a benzene ring.,CC(C)(CN=O)CC(c1ccccc1)c1ccccn1
SubComponent,Substitute a hydroxyl in the molecule OC1CCC2=C3CC4CCCC4CC3CCC2C1 with a halo.,BrC1CCC2=C3CC4CCCC4CC3CCC2C1
DelComponent,Modify the molecule Cc1ccc(S(=O)(=O)N2C3CCCC2c2cn[nH]c2C3=O)cc1 by removing a benzene ring.,CS(=O)(=O)N1C2CCCC1c1cn[nH]c1C2=O
LogP,Modify the molecule C#CCOc1ccc(Cl)cc1C=C1SC(=O)N(CCCCC)C1=O to decrease its LogP value.,C#CCOC(Cl)=C1SC(=O)N(CCCCC)C1=O
MR,Optimize the molecule CS(=O)(=O)c1ccc2nc(COCC(=O)[O-])[nH]c2c1 to have a higher MR value.,CS(=O)(=O)c1cc(-c2ccccc2)c2nc(COCC(=O)[O-])[nH]c2c1
QED,Please modify the molecule CCOC(=O)C[NH2+]CCC(=O)NCC(C)C to decrease its QED value.,CC(C)CNC(=O)CC[NH2+]CC(=O)OC(C)N
AtomNum,"The molecule contains 20 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccccc2)c1
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 6 rotatable bonds, and 17 aromatic bonds.",COc1cc(C(=O)Nc2cccc(I)c2)ccc1OCc1cscn1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 amine group, 1 thioether group, and 1 sulfide group.",CCNC(=O)c1ccc(C2=N[NH+]=C(N3CCC3)SC2)cc1
AddComponent,Modify the molecule OC(=C1CC1)c1ccc(-c2ccnc(Nc3ccc(N4CCCCC4)cc3)n2)cc1 by adding a hydroxyl.,OC(=C1CC1)c1ccc(-c2ccnc(Nc3ccc(N4CCC(O)CC4)cc3)n2)cc1
SubComponent,Modify the molecule C[NH2+]Cc1ccc(N2CC(C(N)=O)CCC2C)c(F)c1 by substituting a halo with a nitrile.,C[NH2+]Cc1ccc(N2CC(C(N)=O)CCC2C)c(C#N)c1
DelComponent,Remove a amine from the molecule Cc1cc(NCc2cccnc2N(C)CCc2ccccn2)nc2ccccc12.,Cc1cc(Cc2cccnc2N(C)CCc2ccccn2)nc2ccccc12
LogP,Modify the molecule Cc1cc(NCCF)n2ncc(C#N)c2c1 to have a higher LogP value.,Cc1cc(NCCF)n2ncc(F)c2c1
MR,Please optimize the molecule Cc1ccc(S(=O)(=O)NCCNc2nc3cc4c(cc3cc2C#N)OCO4)cc1 to have a lower MR value.,CS(=O)(=O)NCCNc1nc2cc3c(cc2cc1C#N)OCO3
QED,Please optimize the molecule CC(C)Cn1nc(C(=O)NC(Cc2ccccc2)C(=O)NC2CC2)c2ccccc2c1=O to have a higher QED value.,CC(C)Cn1nc(C(=O)NC(c2ccccc2)C2CC2)c2ccccc2c1=O
AtomNum,"Please generate a molecule with 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3nc4ccccc4s3)CC2)cc1
BondNum,"The molecule has 20 single bonds, 2 double bonds, 9 rotatable bonds, and 22 aromatic bonds.",CC(C)([NH3+])C(=O)NC(CCC(c1ccccc1)n1c(-c2ccccc2)nc2ccccc21)C(=O)N1CCCCC1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 2 amide groups, 1 thioether group, and 1 sulfide group.",CC(=O)NC(CSc1ccccc1)C(=O)NCc1ccccc1
AddComponent,Add a carboxyl to the molecule Cc1cc(C(=O)N2CCCCC2)ccc1NC(=O)CNC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)N3CCC(C)CC3)ccc2Cl)CC1.,Cc1cc(C(=O)N2CCCCC2)ccc1NC(=O)CNC(=O)C1CC[NH+](C(CC(=O)O)C(=O)Nc2cc(C(=O)N3CCC(C)CC3)ccc2Cl)CC1
SubComponent,Modify the molecule hydroxyl by substituting a NC(=O)C(CCC[NH+]=C(N)N)N(Cc1ccc(O)cc1)C(=O)c1ccc2ccccc2c1 with a carboxyl.,NC(=O)C(CCC[NH+]=C(N)N)N(Cc1ccc(C(=O)[OH])cc1)C(=O)c1ccc2ccccc2c1
DelComponent,Remove a CCNC(=O)C(=O)NCNC(=O)Nc1ccc(O)cc1 from the molecule benzene ring.,CCNC(=O)C(=O)NCNC(=O)NO
LogP,Please modify the molecule COc1ccc(C(=O)COC(=O)c2cc(F)ccc2Br)cc1F to decrease its LogP value.,COc1ccc(C(=O)COC(=O)c2cc(NO)ccc2Br)cc1F
MR,Optimize the molecule O=C(NO)c1ccc(OCc2cccc(Cl)c2)cc1 to have a higher MR value.,O=C(NO)c1ccc(OCc2cccc(Cl)c2)c(O)c1
QED,Modify the molecule Cn1c2c(c3ccccc31)C(c1ccc(Cl)cc1)C=CC2 to increase its QED value.,Cn1c2c(c3ccccc31)C(c1ccc(C#N)cc1)C=CC2
AtomNum,"The molecule contains 9 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",C=C(C)CN(C)C(=O)c1cscn1
BondNum,"The molecule has 11 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",COCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, 3 halo groups, and 1 sulfone group.",CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cn3ccc(C(F)(F)F)n3)ccc2C)cc1
AddComponent,Add a benzene ring to the molecule NC(=[NH2+])c1csc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2)c1Cl.,NC(=[NH2+])c1csc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)C(c3ccccc3)C2)c1Cl
SubComponent,Modify the molecule Cc1nc(Cl)c(O)c(NC2CCN(C(=O)OC(C)(C)C)CC2)n1 by substituting a halo with a nitro.,Cc1nc(NO)c(O)c(NC2CCN(C(=O)OC(C)(C)C)CC2)n1
DelComponent,Remove a benzene ring from the molecule c1ccc(C2(c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3ccccc32)cc1.,c1ccc(C2(N(c3cccc4ccccc34)c3cccc4c3oc3ccccc34)c3ccccc3-c3ccccc32)cc1
LogP,Please optimize the molecule CC(C)C([NH3+])C1Cc2ccccc2S1 to have a higher LogP value.,CC(C)C([NH3+])C1(c2ccccc2)Cc2ccccc2S1
MR,Optimize the molecule CCC[NH2+]C1CCCCCC1CN(C)c1ccc(C)cc1 to have a lower MR value.,CCC[NH2+]C1CCCCCC1CN(C)C
QED,Please optimize the molecule Cc1cccc(-c2nnc(C(Cl)=Cc3ccc(N(C)C)cc3)o2)c1 to have a higher QED value.,Cc1cccc(-c2nnc(C(=Cc3ccc(N(C)C)cc3)C(=O)[OH])o2)c1
AtomNum,"There is a molecule with 22 carbon atoms, and 4 chlorine atoms.",CC12c3ccccc3C(C)(c3ccccc31)c1c(Cl)c(Cl)c(Cl)c(Cl)c12
BondNum,"Please generate a molecule composed of 43 single bonds, 8 double bonds, 25 rotatable bonds, and 12 aromatic bonds.",CCC(C)C(NC(=O)C(C)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C([NH3+])Cc1ccccc1)C(C)C)C(=O)NC(C(=O)[O-])C(C)C
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ketone group, 1 ester group, 1 amide group, and 1 halo group.",CC(C)(C)C(=O)COC(=O)CCNC(=O)c1ccc(Br)cc1
AddComponent,Modify the molecule CCC(C)NC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 by adding a carboxyl.,CCC(C)NC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1C(=O)O
SubComponent,Substitute a hydroxyl in the molecule Nc1ncnc2c1ncn2C1OC(C(=O)NCc2ccccc2)C(O)C1O with a nitro.,Nc1ncnc2c1ncn2C1OC(C(=O)NCc2ccccc2)C(NO)C1O
DelComponent,Modify the molecule hydroxyl by removing a OC(Cn1ccnc1)c1cccc(-c2ccccc2)c1.,c1ccc(-c2cccc(CCn3ccnc3)c2)cc1
LogP,Modify the molecule C[NH2+]C(COC1CCOC1)c1ccccc1 to decrease its LogP value.,C[NH2+]CCOC1CCOC1
MR,Please optimize the molecule Cc1ccc(-n2c(SCC=Cc3ccccc3)nnc2-c2ccncc2)cc1 to have a lower MR value.,Cn1c(SCC=Cc2ccccc2)nnc1-c1ccncc1
QED,Optimize the molecule C[NH2+]C(Cc1c(C)nn(C)c1Cl)c1ncc(Br)cc1Br to have a lower QED value.,C[NH2+]C(Cc1c(CO)nn(C)c1Cl)c1ncc(Br)cc1Br
AtomNum,"The molecule is composed of 24 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",O=C(Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21)NCc1ccccc1Cl
BondNum,"The molecule contains 17 single bonds, 3 double bonds, and 11 rotatable bonds.",C=CCCC1C(CCCC)C1CCOC(=O)NCC=C
FunctionalGroup,The molecule is composed of and 1 hydroxyl group.,CC(CO)C(C)[NH2+]C1CCCc2occc21
AddComponent,Add a benzene ring to the molecule C[NH+](C)CCc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1.,C[NH+](CCc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1)Cc1ccccc1
SubComponent,Substitute a CCOc1ccc(N2C(=O)C(=Cc3cn(CC(=O)NCc4ccco4)c4ccc(Br)cc34)N(CC(=O)OC)C2=S)cc1 in the molecule halo with a thiol.,CCOc1ccc(N2C(=O)C(=Cc3cn(CC(=O)NCc4ccco4)c4ccc(S)cc34)N(CC(=O)OC)C2=S)cc1
DelComponent,Modify the molecule amide by removing a CSCC(=O)N1CCCC(CCC(=O)N2CCCC2)C1.,CSC1CCCC1CCC(=O)N1CCCC1
LogP,Please optimize the molecule Cc1ccc2oc(=O)c3cc(C(=O)N4CC(C)CC(C)C4)sc3c2c1 to have a higher LogP value.,Cc1ccc2oc(=O)c3cc(C(=O)N4CC(C)CC(Cc5ccccc5)C4)sc3c2c1
MR,Please optimize the molecule COC(=O)C1CCCC[NH+]1CCOc1ccc(F)cc1 to have a higher MR value.,COC(=O)C1CCCC[NH+]1CC(N)Oc1ccc(F)cc1
QED,Please modify the molecule COCc1cc(NCC(C)(O)C(C)C)nc(C(C)(C)C)n1 to decrease its QED value.,CC(=O)C(C)(CNc1cc(COC)nc(C(C)(C)C)n1)C(C)C
AtomNum,"The molecule is composed of 20 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",O=C(COC(=O)CCC1CCCCC1)NCC1COc2ccccc2O1
BondNum,"The molecule has 14 single bonds, 1 double bond, 2 rotatable bonds, and 5 aromatic bonds.",CC(C(=O)N1CC2CCC([NH3+])C2C1)n1cccn1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ketone group, 1 amine group, 1 halo group, 1 thioether group, and 1 sulfide group.",Nn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Br)cc1
AddComponent,Please add a carboxyl to the molecule Cc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3)c3ccccc3n2)cc1.,Cc1ccc(S(=O)(=O)C(C(=O)O)c2nc(-c3ccccc3)c3ccccc3n2)cc1
SubComponent,Modify the molecule COCC(O)CN(C)C(=O)CSc1ccc2c(c1)CCC2 by substituting a hydroxyl with a nitro.,COCC(CN(C)C(=O)CSc1ccc2c(c1)CCC2)NO
DelComponent,Remove a amide from the molecule COc1ccc(NS(=O)(=O)c2ccc([O-])c(C(=O)OCC(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)c2)cc1.,COc1ccc(NS(=O)(=O)c2ccc([O-])c(C(=O)Oc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)c2)cc1
LogP,Optimize the molecule COc1cccnc1NC(=S)NC1(c2ccc(C)cc2)CCCC1 to have a higher LogP value.,COc1cccnc1NC(=S)C1(c2ccc(C)cc2)CCCC1
MR,Please modify the molecule C=C(C)N(C(=O)CCl)c1c(C)cccc1C to decrease its MR value.,C=C(C)N(C(=O)CO)c1c(C)cccc1C
QED,Optimize the molecule COCCNC(=O)N(CC[NH+](C)C)c1nc2ccc(OC(F)(F)F)cc2s1 to have a lower QED value.,COCCNC(=O)N(CC[NH+](C)C)c1nc2ccc(OC(F)(F)NO)cc2s1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",CC[NH2+]Cc1cc(COCC=Cc2ccccc2)c(C)s1
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, 6 rotatable bonds, and 22 aromatic bonds.",COC(=O)c1cc(-c2cccc(OC(F)F)c2)nc2c1c(C)nn2Cc1ccccc1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, and 1 hydroxyl group.",CCCCCC(C)(Pc1ccc(C)cc1C=Nc1ccccc1)c1cc(C(C)(C)C)cc(C)c1O
AddComponent,Modify the molecule O=C(OCC(=O)N1CCCCCCC1)c1cc(O)c2ccccc2c1O by adding a benzene ring.,O=C(OCC(=O)N1CCCCCC(c2ccccc2)C1)c1cc(O)c2ccccc2c1O
SubComponent,Substitute a hydroxyl in the molecule C[NH+]=C(NCCc1ccc(OC)c(OC)c1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 with a nitrile.,C[NH+]=C(NCCc1ccc(OC)c(OC)c1)NCc1ccc(C[NH+]2CCC(C#N)CC2)cc1
DelComponent,Please remove a CN(CC(=O)NC1CC1)C(=O)C[NH+]1CCN(Cc2ccc(Cl)s2)CC1 from the molecule halo.,CN(CC(=O)NC1CC1)C(=O)C[NH+]1CCN(Cc2cccs2)CC1
LogP,Modify the molecule C[NH2+]C1(C(N)=O)CCC(N(C)CC(F)(F)F)C1 to decrease its LogP value.,C[NH2+]C1(C(N)=O)CCC(N(C)CC(F)(F)C#N)C1
MR,Modify the molecule Oc1cccc(-c2cc(-c3ccsc3)nc3c2Cc2ccccc2-3)c1 to have a higher MR value.,O=C(O)c1c(-c2ccsc2)nc2c(c1-c1cccc(O)c1)Cc1ccccc1-2
QED,Modify the molecule COc1ccc2c(c1)N(C(=O)CCCN1C(=O)c3ccccc3C1=O)CCC2O to decrease its QED value.,COc1ccc2c(c1)N(C(=O)CCCN1C(=O)c3ccccc3C1=O)CCC2C(=O)[OH]
AtomNum,"There is a molecule with 19 carbon atoms, 6 oxygen atoms, and 2 nitrogen atoms.",COC(=O)c1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)C(C)=O
BondNum,"There is a molecule with 8 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(C(C)(C)c1ccccc1O)S(C)(=O)=O
FunctionalGroup,"The molecule has 3 benzene ring groups, 1 hydroxyl group, 1 ketone group, 1 amine group, and 1 halo group.",CCN(CC)c1ccc(C2C(=C(O)c3ccccc3)C(=[NH2+])N(c3cccc(Br)c3)C3=C2C(=O)CCC3)cc1
AddComponent,Modify the molecule CCCSC1([N+](=O)[O-])C=CC(=N)C(NC(=[NH+]C(=O)OC)SC)=C1Cc1ccccc1 by adding a amine.,CCCSC1([N+](=O)[O-])C=CC(=N)C(NC(=[NH+]C(=O)OC)SC)=C1Cc1ccccc1N
SubComponent,Please substitute a halo in the molecule CCCCCOc1c(OC)c(Br)cc(Br)c1OC with a nitro.,CCCCCOc1c(OC)c(Br)cc(NO)c1OC
DelComponent,Please remove a CCc1cccc2nc(C(F)(F)F)n(C)c12 from the molecule halo.,CCc1cccc2nc(C(F)F)n(C)c12
LogP,Optimize the molecule CCCOc1ccc(C(=O)NC2CCCCCC2O)cc1 to have a higher LogP value.,CCCOc1ccc(C(=O)NC2CCCCCC2)cc1
MR,Optimize the molecule CCC(=O)NCC(=O)C(C)C(C)=O to have a lower MR value.,CCC(=O)C(C)C(C)=O
QED,Modify the molecule COc1ccc(OC)c(C2[NH2+]CC2(C)C)c1 to increase its QED value.,COc1ccc(OC)c(C2[NH2+]C(c3ccccc3)C2(C)C)c1
AtomNum,"Please generate a molecule composed of 11 carbon atoms, and 3 nitrogen atoms.",CCC[NH2+]Cc1cnn(CCC)c1C
BondNum,"The molecule is composed of 17 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCCCOc1cc2nc(N(C)C)nc(N3CC[NH2+]CC3)c2cc1OC
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, and 3 sulfone groups.",CS(=O)(=O)NC(Cc1ccc(OS(C)(=O)=O)c(OS(C)(=O)=O)c1)C(=O)[O-]
AddComponent,Please add a benzene ring to the molecule Cc1cc(C(C)([NH3+])c2cccc(Cl)c2)cs1.,Cc1cc(C(C)([NH3+])c2cc(Cl)ccc2-c2ccccc2)cs1
SubComponent,Please substitute a halo in the molecule COCCN(CC[NH3+])S(=O)(=O)c1cccc(C(F)(F)F)c1 with a hydroxyl.,COCCN(CC[NH3+])S(=O)(=O)c1cccc(C(O)(F)F)c1
DelComponent,Modify the molecule OC1CCc2cccc(C3CC[NH+](Cc4ccc(-c5ccc(F)cc5)cc4)CC3)c2N1 by removing a halo.,OC1CCc2cccc(C3CC[NH+](Cc4ccc(-c5ccccc5)cc4)CC3)c2N1
LogP,Please modify the molecule CC1(C)CC(n2c(N)nc3cc(Cl)cnc32)CC(C)(C)C1 to decrease its LogP value.,CC1(C)CC(n2c(N)nc3cc(C(=O)[OH])cnc32)CC(C)(C)C1
MR,Please optimize the molecule Cc1cc(C=C(C#N)C(=O)NCC2CCCO2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 to have a higher MR value.,Cc1cc(C=C(C#N)C(=O)NC(c2ccccc2)C2CCCO2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
QED,Please optimize the molecule O=S(=O)(c1ccc2c(c1)C1C=CCC1C(c1ccc(Cl)cc1Cl)N2)N1CCCC1 to have a lower QED value.,CC(=O)c1ccc(C2Nc3ccc(S(=O)(=O)N4CCCC4)cc3C3C=CCC32)c(Cl)c1
AtomNum,"The molecule has 25 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",Cc1ccccc1N1CC[NH+](CC(=O)N2CC[NH+](C(C)c3ccccc3)CC2)CC1
BondNum,"There is a molecule composed of 15 single bonds, 4 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)[O-])cc1F
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, 1 amide group, 1 halo group, 1 thioether group, and 1 sulfide group.",CCNC(=O)NC(=O)COC(=O)CCSc1ccc(F)cc1
AddComponent,Please add a amine to the molecule CC(C)Cc1ccc(C(O)C[NH2+]CC(C)CCO)cc1.,CC(CCO)C[NH2+]CC(O)c1ccc(C(N)C(C)C)cc1
SubComponent,Please substitute a nitro in the molecule CC(C)CC(NC(=O)C(CCCNC1NN1[N+](=O)[O-])NC(=O)CCCCCCC(=O)c1ccccc1)B1OC2CC3CC(C3(C)C)C2(C)O1 with a thiol.,CC(C)CC(NC(=O)C(CCCNC1NN1[SH]=O)NC(=O)CCCCCCC(=O)c1ccccc1)B1OC2CC3CC(C3(C)C)C2(C)O1
DelComponent,Please remove a amide from the molecule CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCc4ccccn4)o3)cc2C1c1ccc(F)cc1.,CC1Cc2ccc(OCc3ccc(C(=O)NCc4ccccn4)o3)cc2C1c1ccc(F)cc1
LogP,Modify the molecule COC(=O)NCC(=O)Nc1ccccc1CCC(CO)N(CC(C)C)S(=O)(=O)c1ccc2ncsc2c1 to have a higher LogP value.,COC(=O)NCC(=O)Nc1ccccc1CCC(CS)N(CC(C)C)S(=O)(=O)c1ccc2ncsc2c1
MR,Optimize the molecule Cc1ccc(F)cc1CN(Cc1ccccn1)S(C)(=O)=O to have a higher MR value.,Cc1ccc(O)cc1CN(Cc1ccccn1)S(C)(=O)=O
QED,Modify the molecule CCOC(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 to increase its QED value.,CCOC(=O)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl
AtomNum,"There is a molecule composed of 30 carbon atoms, and 9 oxygen atoms.",CCCCCOC(=O)OC1(C(=O)COC(=O)OCC)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C
BondNum,"The molecule has 6 single bonds, 1 double bond, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",N#Cc1c(C=O)cc(I)nc1C(F)F
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 1 amide group, 1 amine group, 2 halo groups, and 1 sulfide group.",CCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)SC1=[NH+]c1ccc(Cl)cc1
AddComponent,Modify the molecule CCOC(=O)c1c(C(=O)c2ccc(C(F)(F)F)cc2)c(C2CCCC2)nc2c1C(O)CC(C)(C)C2 by adding a nitrile.,CCOC(=O)c1c(C(=O)c2ccc(C(F)(F)F)cc2)c(C2CCCC2)nc2c1C(O)CC(C)(CC#N)C2
SubComponent,Modify the molecule halo by substituting a C=CCOc1cccc(NC(=O)c2ccc(C)c(Br)c2)c1 with a hydroxyl.,C=CCOc1cccc(NC(=O)c2ccc(C)c(O)c2)c1
DelComponent,Please remove a CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 from the molecule amide.,CC(C)(C)OC(=O)N1CCC(c2ccc(S(=O)(=O)N3CCCC3)s2)C1
LogP,Optimize the molecule N#CCCC(C#N)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O to have a lower LogP value.,N#CCCC(C#N)Cn1nc(-c2ccccc2)cc(C(F)F)c1=O
MR,Modify the molecule CC(=O)Nc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1 to decrease its MR value.,CC(=O)Nc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(C(F)F)c1)Cc1ccc(C2CC2)cc1
QED,Optimize the molecule COc1ccc(OC)c(-c2csc(NC(=O)c3cccnc3Sc3ccccc3)n2)c1 to have a higher QED value.,COc1ccc(OC)c(-c2csc(NC(=O)c3cccnc3S)n2)c1
AtomNum,"There is a molecule composed of 24 carbon atoms, 7 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 2 phosphorus atoms.",CCOP(=O)([O-])C(Nc1nc(-c2cccc(C(=O)Nc3ccccc3)c2)nc2sccc12)P(=O)([O-])OCC
BondNum,"The molecule is composed of 11 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CC[NH+](CC(O)c1ccccc1)C(C)COC
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 1 halo group.",[NH3+]C1(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)CC1
AddComponent,Add a amine to the molecule COC(=O)CCNC(=O)N1CCC(OCC2CCN(C(=O)OC(C)(C)C)CC2)CC1.,COC(=O)CCNC(=O)N1CCC(N)(OCC2CCN(C(=O)OC(C)(C)C)CC2)CC1
SubComponent,Modify the molecule nitro by substituting a Cc1nn(Cc2ccc(C=CC(=O)c3nn(C)cc3[N+](=O)[O-])o2)c(C)c1[N+](=O)[O-] with a thiol.,Cc1nn(Cc2ccc(C=CC(=O)c3nn(C)cc3[SH]=O)o2)c(C)c1[N+](=O)[O-]
DelComponent,Please remove a benzene ring from the molecule C=C(C)[NH+]1CCc2nc(C3CCC3)c(-c3nn[n-]n3)c(-c3cccc(Cl)c3)c2C1.,C=C(C)[NH+]1CCc2nc(C3CCC3)c(-c3nn[n-]n3)c(Cl)c2C1
LogP,Please optimize the molecule Cc1nc(-c2ncn[nH]2)sc1C(=O)N1CCCC(C(F)(F)F)C1 to have a lower LogP value.,Cc1nc(-c2ncn[nH]2)sc1C(=O)N1CCCC(C(O)(F)F)C1
MR,Please optimize the molecule COCC(C)Nc1cccc(OC(F)F)c1 to have a lower MR value.,COCC(C)Nc1cccc(OCF)c1
QED,Please optimize the molecule CC(C)CCC(C)[NH2+]CCSCc1ccccc1 to have a lower QED value.,CC(CCC(C)(C)c1ccccc1)[NH2+]CCSCc1ccccc1
AtomNum,"There is a molecule composed of 12 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",Cc1cc(C)c(Nc2scnc2C(=O)[O-])c(Br)c1
BondNum,"The molecule has 5 single bonds, 5 rotatable bonds, and 49 aromatic bonds.",c1ccc(-c2ccc3ccc4c(-c5cccc(-c6cc(-c7ccncc7)cc(-c7cccnc7)c6)c5)ccc5ccc2c3c54)nc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 5 hydroxyl groups, and 1 amine group.",O=S(=S)(OO)c1ccc(N=Nc2c(S(O)(O)O)cc3ccc(Nc4ccccc4)cc3c2O)cc1
AddComponent,Add a benzene ring to the molecule N#Cc1nc2ccc(F)c(F)c2n1-c1ccncc1.,N#Cc1nc2ccc(F)c(F)c2n1-c1ccnc(-c2ccccc2)c1
SubComponent,Substitute a halo in the molecule O=C(Nc1ccccc1)c1nc(C(Cl)(Cl)Cl)no1 with a nitrile.,N#CC(Cl)(Cl)c1noc(C(=O)Nc2ccccc2)n1
DelComponent,Please remove a CCCCCC=CCC=CCCCCCC=CC(=O)CCC=O from the molecule aldehyde.,CCCCCC=CCC=CCCCCCC=CC(C)=O
LogP,Modify the molecule CCOC(=O)C(CC(=O)Cc1ccccc1)[P+]([O-])(OCC)OCC to decrease its LogP value.,CCOC(=O)C(CC(C)=O)[P+]([O-])(OCC)OCC
MR,Please modify the molecule O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(F)cc1 to decrease its MR value.,O=C(CCC(=O)NC1CCCC1)NCc1ccc(F)cc1
QED,Modify the molecule C[NH+](CCc1ccccc1C(=O)[O-])Cc1ccc2c(c1)OCCO2 to have a lower QED value.,C[NH+](CCC(=O)[O-])Cc1ccc2c(c1)OCCO2
AtomNum,"There is a molecule with 16 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",Cc1cccc(OCCNC(=O)C2CCCC2C(=O)[O-])c1
BondNum,"The molecule consists of 17 single bonds, 4 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 hydroxyl group, and 1 amide group.",CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)C[NH+]1CCCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)C1
AddComponent,Please add a benzene ring to the molecule O=C(NCCc1ncn[nH]1)C1(c2ccccc2)CCC1.,O=C(NCCc1nc(-c2ccccc2)n[nH]1)C1(c2ccccc2)CCC1
SubComponent,Please substitute a hydroxyl in the molecule COc1cc2ccc3cccc4ccc(c1O)c2c34 with a aldehyde.,CC(=O)c1c(OC)cc2ccc3cccc4ccc1c2c34
DelComponent,Please remove a halo from the molecule COc1ccc2c(nc(C)n2CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)c1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.,COc1ccc2c(nc(C)n2CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)c1NC(=O)c1ccccc1-c1ccc(C(F)F)cc1
LogP,Modify the molecule Cc1ccc2nc(-c3ccc(NC(=S)NCc4cccc(Br)c4)cc3)sc2c1 to have a lower LogP value.,Cc1ccc2nc(-c3ccc(NC(=S)NCc4ccccc4)cc3)sc2c1
MR,Please optimize the molecule COc1cc(CC(=O)NCC(c2cccs2)[NH+]2CCC(C)CC2)ccc1C to have a lower MR value.,COCCC(=O)NCC(c1cccs1)[NH+]1CCC(C)CC1
QED,Please modify the molecule Cc1cccc(Cn2cnnc2CO)c1 to decrease its QED value.,Cc1cccc(Cn2cnnc2C)c1
AtomNum,"Please generate a molecule composed of 39 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 2 fluorine atoms, and 1 chlorine atom.",O=C(C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl
BondNum,"Please generate a molecule consisting 11 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",Cc1cc(NC(=O)NC(C)(C)CO)n(Cc2ccccc2)n1
FunctionalGroup,"Please generate a molecule consisting 1 amine group, and 1 halo group.",CC(C)c1nc(C[NH+](C)C)nc(N)c1Br
AddComponent,Add a hydroxyl to the molecule CCc1c(C(=O)Nc2ccc(OC)c(OC)c2)cnn1-c1ccccn1.,CCc1c(C(=O)Nc2ccc(OC)c(OC)c2)c(O)nn1-c1ccccn1
SubComponent,Please substitute a hydroxyl in the molecule Cc1cccnc1NC(=O)c1ncc(Nc2s[nH]c(=O)c2C(N)=[NH+]C(O)CO)cc1C with a nitrile.,Cc1cccnc1NC(=O)c1ncc(Nc2s[nH]c(=O)c2C(N)=[NH+]C(C#N)CO)cc1C
DelComponent,Please remove a benzene ring from the molecule COc1ccc(C(C)NC(=O)c2ccc(NC(=O)C3CC3)cc2)c(OC)c1.,COc1ccc(C(C)NC(=O)NC(=O)C2CC2)c(OC)c1
LogP,Please optimize the molecule c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)-c2ccccc2-c2ccccc2-3)cc1 to have a lower LogP value.,c1ccc(Pc2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)-c2ccccc2-c2ccccc2-3)cc1
MR,Optimize the molecule O=[N+]([O-])c1ccc(CCSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 to have a higher MR value.,O=[N+]([O-])c1ccc(CC(Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)c2ccccc2)cc1
QED,Please optimize the molecule CC1(C)CN(S(=O)(=O)c2cccc3c2CCCN3)CCO1 to have a lower QED value.,CC1(C)CN(S(=O)(=O)c2cccc3c2CCC3)CCO1
AtomNum,"There is a molecule composed of 6 carbon atoms, 1 oxygen atom, and 1 bromine atom.",OCCCCCCBr
BondNum,"The molecule consists of 15 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",O=C(NCc1ccc2c(c1)OCO2)C1CCCN(c2nc3ccsc3c(=O)s2)C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ketone group, 2 amine groups, and 1 sulfide group.",CC(=O)c1ccc(NC(C)c2cc(C)sc2C)cc1N
AddComponent,Add a hydroxyl to the molecule O=C1CCC(NC(=O)c2cccc3c2NCCN3)C(=O)N1.,O=C1CCC(O)(NC(=O)c2cccc3c2NCCN3)C(=O)N1
SubComponent,Modify the molecule halo by substituting a CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2ccccc2)c1C with a nitro.,CCCOc1ccc(C(F)(F)NO)cc1NC(=O)c1cnn(-c2ccccc2)c1C
DelComponent,Remove a halo from the molecule Nc1cn2ccnc2c(Oc2cc(Br)ccc2F)n1.,Nc1cn2ccnc2c(Oc2ccccc2F)n1
LogP,Modify the molecule CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 to have a lower LogP value.,CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(S)c1OCC(=O)Nc1ccccc1
MR,Please modify the molecule C[NH+]=C(NCCCn1cnc2ccccc21)NCc1ccnn1C to increase its MR value.,C[NH+]=C(NCCCn1cnc2cccc(N)c21)NCc1ccnn1C
QED,Optimize the molecule CC[NH2+]Cc1cn[nH]c1S(=O)(=O)NCCOCC(C)C to have a higher QED value.,CC[NH2+]Cc1cn[nH]c1S(=O)(=O)CCOCC(C)C
AtomNum,"There is a molecule consisting of 26 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CC=C(c2ccccc2)CC1
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CC(Nc1cc(Cl)ccc1C(=O)N(C)C)c1cncs1
FunctionalGroup,There is a molecule consisting of and 1 amide group.,O=C(NCCC1=CC[NH2+]CC1)c1cc2ccccc2[nH]1
AddComponent,Please add a carboxyl to the molecule COc1ccc(-n2ncc3cnc(Nc4ccc5c(c4)OCCCO5)nc32)cc1.,COc1ccc(-n2ncc3cnc(Nc4cc5c(cc4C(=O)O)OCCCO5)nc32)cc1
SubComponent,Modify the molecule halo by substituting a CC([NH3+])C1CCN(c2cn[nH]c(=O)c2Cl)C1 with a thiol.,CC([NH3+])C1CCN(c2cn[nH]c(=O)c2S)C1
DelComponent,Modify the molecule amide by removing a COCCNC(=O)CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1.,COCCSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1
LogP,Optimize the molecule CC[NH2+]C(Cc1cccc(F)c1)c1cc(C)c(F)c(C)c1 to have a lower LogP value.,Cc1cc(C(Cc2cccc(F)c2)[NH2+]C(C)CC=O)cc(C)c1F
MR,Modify the molecule O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCC1CCCO1 to increase its MR value.,O=C(CSc1c2c(nc3ccc(Cl)cc13)CCC(O)C2)NCC1CCCO1
QED,Modify the molecule CCC(COC)NC(=O)CCC(CC[NH3+])C(C)C to have a lower QED value.,CCC(COC)NC(=O)C(O)CC(CC[NH3+])C(C)C
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",CC(Nc1cc(Br)ccc1C#N)(C(=O)[O-])c1ccccc1
BondNum,"Please generate a molecule composed of 33 single bonds, 3 double bonds, 14 rotatable bonds, and 24 aromatic bonds.",COc1ccc(C(OCCN(CC2OC(n3cc(C)c(=O)[nH]c3=O)CC2O[Si](C)(C)C(C)(C)C)C(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 4 amide groups.",Cc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)CC2)cc1C
AddComponent,Please add a hydroxyl to the molecule Cc1nn(CC(C)C)c(C)c1CC(=O)NCCc1nc2ccccc2[nH]1.,Cc1c(CC(=O)NCCc2nc3ccccc3[nH]2)c(CO)nn1CC(C)C
SubComponent,Substitute a Cc1cc(C(N)=S)cc(Nc2c(F)cc(Br)cc2F)n1 in the molecule halo with a nitrile.,Cc1cc(C(N)=S)cc(Nc2c(F)cc(Br)cc2C#N)n1
DelComponent,Please remove a benzene ring from the molecule CCn1c(COc2ccccc2C(F)(F)F)c[nH+]c1N.,CCn1c(COC(F)(F)F)c[nH+]c1N
LogP,Modify the molecule Cn1ncc2c1CCCC2NC(=O)N1CCC(O)C12CCCC2 to decrease its LogP value.,Cn1ncc2c1CCCC2NC(=O)N1CCC(NO)C12CCCC2
MR,Please modify the molecule CC(C)COC(C)c1noc(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 to decrease its MR value.,CC(C)COC(C)c1noc(-c2ccc(-c3noc(C(F)F)n3)cc2)n1
QED,Please modify the molecule CCC(C)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C to decrease its QED value.,CCC(C)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])OCCCOP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C
AtomNum,"The molecule contains 9 carbon atoms, and 4 nitrogen atoms.",C1=CC(c2cn3nccnc3[nH+]2)=C1
BondNum,"There is a molecule consisting of 17 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCS(=O)(=O)N(CC(=O)Nc1ccc(OC(C)C)cc1)c1ccc2c(c1)OCCO2
FunctionalGroup,"Please generate a molecule with 1 amide group, and 3 halo groups.",NC(=O)N1CCCC(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1
AddComponent,Please add a hydroxyl to the molecule CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1.,O=C(CO)N1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1
SubComponent,Substitute a CCC(CC)(CO)[NH2+]Cc1ccc(C)c(Cl)c1 in the molecule hydroxyl with a aldehyde.,CC(=O)CC(CC)(CC)[NH2+]Cc1ccc(C)c(Cl)c1
DelComponent,Please remove a halo from the molecule COc1ccc2c(c1)sc(=NC(=O)c1ccccc1Cl)n2C.,COc1ccc2c(c1)sc(=NC(=O)c1ccccc1)n2C
LogP,Please modify the molecule N#CC1CC=CCC1NC(=O)c1ccc([N+](=O)[O-])cc1 to increase its LogP value.,CC(=O)C1CC=CCC1NC(=O)c1ccc([N+](=O)[O-])cc1
MR,Optimize the molecule CC(NC(=O)c1ccc(SC(F)(F)F)cc1)c1cccs1 to have a lower MR value.,CC(NC(=O)c1ccc(SC(F)F)cc1)c1cccs1
QED,Modify the molecule COc1ccc(NC(=O)c2cc(Nc3cccc(F)c3)ncn2)cc1 to decrease its QED value.,CC(=O)c1cccc(Nc2cc(C(=O)Nc3ccc(OC)cc3)ncn2)c1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CN1Cc2c(C(=O)Nc3ccc(Cl)cc3)ncn2-c2ccccc2S1(=O)=O
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c(F)c1
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 1 amide group.",Cc1nc(C(=O)N2CCCC(C)(O)C2)c(C)o1
AddComponent,Please add a thiol to the molecule OCc1nccn1N=Cc1ccccc1.,OCc1nccn1N=Cc1ccc(S)cc1
SubComponent,Modify the molecule hydroxyl by substituting a O=S(=O)(Cc1cccc(CO)c1)Nc1cncnc1 with a halo.,O=S(=O)(Cc1cccc(CF)c1)Nc1cncnc1
DelComponent,Modify the molecule C#CC(C)[NH2+]C(CN)CCc1ccccc1 by removing a benzene ring.,C#CC(C)[NH2+]C(CC)CN
LogP,Please modify the molecule COc1cccc(CN(C(=O)CSc2ccc(Cl)cc2)C(C)C(=O)NCC(C)C)c1 to decrease its LogP value.,COc1cccc(CN(C(=O)CSc2ccccc2)C(C)C(=O)NCC(C)C)c1
MR,Modify the molecule [NH3+]C(CO)c1cc(F)ccc1OC1CC1 to have a higher MR value.,[NH3+]C(CO)c1cc(F)cc(C(=O)O)c1OC1CC1
QED,Modify the molecule Cc1c(CNNC(=O)OC(C)(C)C)sc2c1c(=O)n(C1(C)CC1)c(=O)n2CCOC(F)(F)F to decrease its QED value.,Cc1c(CNNC(=O)OC(C)(C)C)sc2c1c(=O)n(C1(C)CC1)c(=O)n2CCOC(F)(F)C#N
AtomNum,"The molecule has 21 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 chlorine atom, 1 bromine atom, and 1 iodine atom.",O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(I)c1
BondNum,"Please generate a molecule consisting 14 single bonds, 4 double bonds, 4 rotatable bonds, and 17 aromatic bonds.",O=C(NN1C(=O)C(=Cc2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S)c1ccccc1
FunctionalGroup,"The molecule contains 4 benzene ring groups, and 6 sulfone groups.",Cc1ccc(S(=O)(=O)S(=O)(=O)c2cc(S(=O)(=O)S(=O)(=O)c3ccc(C)cc3)cc(S(=O)(=O)S(=O)(=O)c3ccc(C)cc3)c2)cc1
AddComponent,Modify the molecule Cc1ccc(C(N)=[NH+]CC(C)C)cc1F by adding a carboxyl.,Cc1cc(C(=O)O)c(C(N)=[NH+]CC(C)C)cc1F
SubComponent,Substitute a halo in the molecule Cc1cc(F)ccc1C(=O)N1CC(C)CC(C(=O)[O-])C1 with a nitro.,Cc1cc(NO)ccc1C(=O)N1CC(C)CC(C(=O)[O-])C1
DelComponent,Remove a amine from the molecule CCCCNc1nnc(-c2ccc(C(C)C)nc2C)s1.,CCCCc1nnc(-c2ccc(C(C)C)nc2C)s1
LogP,Optimize the molecule Cn1nc(C(=O)c2ccccc2)sc1=Nc1ccccc1 to have a lower LogP value.,Cn1nc(C=O)sc1=Nc1ccccc1
MR,Optimize the molecule O=C(c1ccc(F)cc1F)N1CCC(n2cnnc2-c2ccccc2)C1 to have a higher MR value.,O=C(c1ccc(S)cc1F)N1CCC(n2cnnc2-c2ccccc2)C1
QED,Modify the molecule CCOCC(C(C)C)n1cncc1C1C[NH2+]C1 to decrease its QED value.,CC(N)OCC(C(C)C)n1cncc1C1C[NH2+]C1
AtomNum,"Please generate a molecule with 20 carbon atoms, 6 oxygen atoms, and 4 nitrogen atoms.",CCn1cc(C=C(NC(=O)c2ccc([N+](=O)[O-])o2)C(=O)NCCO)c2ccccc21
BondNum,"The molecule contains 12 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]C1CC(c2ccc(C)cc2C)C1(C)C
FunctionalGroup,"The molecule contains 1 halo group, 1 sulfide group, and 2 sulfone groups.",CS(=O)(=O)CCS(=O)(=O)Cc1ccc(Cl)s1
AddComponent,Add a hydroxyl to the molecule CCCc1nc(CC(C)C)c(C[NH3+])c(-c2ccc(C)cc2)c1CC(N)=O.,CCCc1nc(CC(C)C)c(C[NH3+])c(-c2ccc(C)cc2O)c1CC(N)=O
SubComponent,Please substitute a halo in the molecule CCCCC(CC)C(=O)Cc1ccc(F)cc1F with a aldehyde.,CC(=O)c1ccc(CC(=O)C(CC)CCCC)c(F)c1
DelComponent,Modify the molecule CC(C)Oc1ccc(S(=O)(=O)NC2CCC(Oc3ccc(Cl)cn3)CC2)cc1 by removing a amine.,CC(C)Oc1ccc(S(=O)(=O)C2CCC(Oc3ccc(Cl)cn3)CC2)cc1
LogP,Modify the molecule O=C(Nc1ccc(F)c(F)c1)c1cc(C(=O)N2CCOCC2)ccn1 to increase its LogP value.,O=C(Nc1ccc(S)c(F)c1)c1cc(C(=O)N2CCOCC2)ccn1
MR,Please modify the molecule CCOc1ccc(-c2cc(-c3ccc(CC)cc3)[nH]c(=O)c2C#N)cc1 to increase its MR value.,CC(=O)c1c(-c2ccc(OCC)cc2)cc(-c2ccc(CC)cc2)[nH]c1=O
QED,Modify the molecule Nc1ccc(N)c(-c2ccc(C(F)(F)F)nc2)c1 to have a higher QED value.,Nc1ccc(N)c(-c2ccc(C(F)F)nc2)c1
AtomNum,"There is a molecule consisting of 8 carbon atoms, 5 oxygen atoms, and 1 phosphorus atom.",C=CC(=O)OC(CC)(CC)O[P+](=O)O
BondNum,"Please generate a molecule with 14 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1CC(=NS(=O)(=O)c1ccc(C)cc1)N1CCOCC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",CONC(=O)c1ccc(C)c(-n2cnc3ccc(OCC[NH+]4CCCC4)cc3c2=O)c1
AddComponent,Modify the molecule CCNC(=[NH+]Cc1ccccc1C)N1CCC(C)C(n2ccnc2)C1 by adding a hydroxyl.,CCNC(=[NH+]Cc1ccccc1C)N1CC(O)C(C)C(n2ccnc2)C1
SubComponent,Modify the molecule O=C([O-])C=Cc1[nH]c(=O)ccc1O by substituting a hydroxyl with a carboxyl.,O=C([O-])C=Cc1[nH]c(=O)ccc1C(=O)[OH]
DelComponent,Modify the molecule hydroxyl by removing a CC1=CC2(OC3OC(CO)C(O)C(O)C3O)CC(C)C(=O)C2C(C)(O)C12CC2.,CC1=CC2(OC3OC(CO)C(O)C(O)C3O)CC(C)C(=O)C2C(C)C12CC2
LogP,Modify the molecule CC1CCCN(C(=O)C2CC2c2ccccc2F)C1 to have a higher LogP value.,CC1CCCC2(c3ccccc3F)CC12
MR,Please modify the molecule CCN(CC)N=Nc1ccc(C(F)(F)F)cc1I to increase its MR value.,CC(=O)C(F)(F)c1ccc(N=NN(CC)CC)c(I)c1
QED,Please modify the molecule C[NH+](CC(=O)Nc1nccs1)Cc1ccc(OC(F)F)cc1 to decrease its QED value.,C[NH+](CC(=O)Nc1nccs1)Cc1ccc(OCF)cc1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COCCN(C(C)C1CC1)C1(CC(=O)[O-])C[NH2+]C1
BondNum,"The molecule is composed of 9 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",CC(C)[NH2+]Cc1cc(-c2cc(F)c(Cl)cc2Cl)on1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, and 2 amine groups.",Cc1ccnc(NCC2CCCCC2CO)c1N
AddComponent,Please add a carboxyl to the molecule CCn1c(C)cc(C(=O)OCC(=O)Nc2cccc(Br)c2)c1C.,CCn1c(C)c(C(=O)O)c(C(=O)OCC(=O)Nc2cccc(Br)c2)c1C
SubComponent,Modify the molecule halo by substituting a CCOc1cc(F)cc(F)c1I with a thiol.,CCOc1cc(S)cc(F)c1I
DelComponent,Modify the molecule amine by removing a CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c1.,CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)CCc2cn3ccccc3[nH+]2)c1
LogP,Please optimize the molecule CC(=CCO)CCC=C(C)COCc1cccc(C(=O)c2ccccc2)c1 to have a higher LogP value.,CC(=CCC(C(C)=CCO)c1ccccc1)COCc1cccc(C(=O)c2ccccc2)c1
MR,Please modify the molecule Cc1nonc1NC(=O)C[NH+]1CCN(C)CC1 to decrease its MR value.,Cc1nonc1[NH+]1CCN(C)CC1
QED,Please optimize the molecule CC1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccncc1Nc1ccccc1 to have a lower QED value.,CC1C(=O)N(c2ccc(OC(F)(F)C#N)cc2)C(=O)N1Cc1ccncc1Nc1ccccc1
AtomNum,"The molecule contains 32 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCC(C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1
BondNum,"There is a molecule composed of 14 single bonds, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",CC1CC(C)C(C)N(CC(N)(C#N)c2ccccc2)C1
FunctionalGroup,The molecule has and 1 sulfide group.,COc1ccc2nc(C3CCC(C(=O)[O-])C3)sc2c1
AddComponent,Please add a hydroxyl to the molecule Cc1cccc(-c2nnc3c(C)c(C)[nH]n23)c1.,Cc1cccc(-c2nnc3c(CO)c(C)[nH]n23)c1
SubComponent,Please substitute a nitrile in the molecule N#Cc1ccc(CNc2nc(-c3ccccc3)ns2)c(F)c1 with a halo.,Fc1cc(Cl)ccc1CNc1nc(-c2ccccc2)ns1
DelComponent,Modify the molecule amide by removing a CC(C)NC(=O)Cn1cnc2cc(C(=O)[O-])ccc21.,CC(C)n1cnc2cc(C(=O)[O-])ccc21
LogP,Modify the molecule CNc1nnc(SC(C)C(=O)NC(C)C)s1 to have a higher LogP value.,CC(C)NC(=O)C(C)Sc1nnc(NCc2ccccc2)s1
MR,Please optimize the molecule CC1(C)CN(C(CO)C([NH3+])C2CC2)CCO1 to have a lower MR value.,CC(C([NH3+])C1CC1)N1CCOC(C)(C)C1
QED,Optimize the molecule CC(=O)CNC(=O)c1cc(N)cc(F)c1Cl to have a higher QED value.,CC(=O)C(NC(=O)c1cc(N)cc(F)c1Cl)c1ccccc1
AtomNum,"The molecule contains 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",COC(=O)c1[nH+]c(-c2ccc(SC(C)C)c(F)c2F)c(F)c(N)c1Cl
BondNum,"The molecule contains 32 single bonds, 5 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",Cc1ccccc1NC(=O)c1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)N4CCCC4)c3C)CC2)cc1
FunctionalGroup,There is a molecule consisting of and 1 amide group.,CC(C)CCNC(=O)COC1CCC[NH2+]C1
AddComponent,Add a benzene ring to the molecule [C-]#[N+]C(C#N)=C(C)c1ccc2cc(N3CC[NH2+]CC3)ccc2c1.,[C-]#[N+]C(C#N)=C(C)c1ccc2cc(N3CC[NH2+]CC3c3ccccc3)ccc2c1
SubComponent,Modify the molecule halo by substituting a COC(=O)c1cc(Br)ccc1OC(C)C with a hydroxyl.,COC(=O)c1cc(O)ccc1OC(C)C
DelComponent,Please remove a CC(C)[NH2+]CC1(Cc2ccccc2Br)CCCC1 from the molecule halo.,CC(C)[NH2+]CC1(Cc2ccccc2)CCCC1
LogP,Please modify the molecule CC1(C)C2CN(C(=O)NCCc3cccc(O)c3)CC21 to increase its LogP value.,CC1(C)C2CN(C(=O)NCCc3cccc(NO)c3)CC21
MR,Modify the molecule COc1c(C)ccc(C(C)CCB2OC(C)(C)C(C)(C)O2)c1OC to have a higher MR value.,COc1c(C)ccc(C(CCB2OC(C)(C)C(C)(C)O2)Cc2ccccc2)c1OC
QED,Modify the molecule FC(F)(F)CCCN1CCC[NH2+]C2(CCCCC2)C1 to decrease its QED value.,FC(F)CCCN1CCC[NH2+]C2(CCCCC2)C1
AtomNum,"The molecule contains 11 carbon atoms, 4 oxygen atoms, and 1 sulfur atom.",CCSC1OC(C)C2(O)C(C)(C)C2(O)C1O
BondNum,"Please generate a molecule with 10 single bonds, 3 rotatable bonds, and 22 aromatic bonds.",Clc1ccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)cc1
FunctionalGroup,The molecule contains and 1 sulfide group.,C[NH2+]Cc1cc(C[NH+]2CCCN(C)CC2C)c(C)s1
AddComponent,Please add a hydroxyl to the molecule N#Cc1cccc(CNC(=O)C2C=CC([NH3+])C2)c1.,N#Cc1cc(O)cc(CNC(=O)C2C=CC([NH3+])C2)c1
SubComponent,Modify the molecule nitrile by substituting a COc1cccc(CNc2ccc(C#N)cc2Br)c1F with a nitro.,COc1cccc(CNc2ccc(NO)cc2Br)c1F
DelComponent,Remove a amine from the molecule CC1CC1C(Cc1ccc(Cl)cc1F)NN.,CC1CC1C(N)Cc1ccc(Cl)cc1F
LogP,Please optimize the molecule O=C(NC(Cc1ccccc1)C(O)CC(Cc1ccccc1)N(Cc1cncs1)C(=O)[O-])OCc1cncs1 to have a higher LogP value.,CC(=O)C(CC(Cc1ccccc1)N(Cc1cncs1)C(=O)[O-])C(Cc1ccccc1)NC(=O)OCc1cncs1
MR,Please modify the molecule COc1cc(C2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccc(C(C)=O)cc2)ccc1OCC(C)C to decrease its MR value.,COc1cc(C2C(c3cccc(OC)c3OC)=CC(=O)N2c2ccc(C(C)=O)cc2)ccc1OCC(C)C
QED,Modify the molecule Cc1cc2[nH+]cc(-c3ccc(C#N)cc3)n2cc1-c1ccc(C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)C(C)C2)cc1 to increase its QED value.,Cc1cc2[nH+]cc(-c3ccccc3)n2cc1-c1ccc(C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)C(C)C2)cc1
AtomNum,The molecule has 46 carbon atoms.,c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5c(ccc6ccccc65)c4)c4cccc-3c24)cc1
BondNum,"The molecule consists of 15 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",CC1CCCC2(CSC(=[NH+]CCc3ccsc3)N2)C1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, and 2 halo groups.",CCC(C)NC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(C)c1C
AddComponent,Modify the molecule COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 by adding a aldehyde.,COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1CC=O
SubComponent,Substitute a hydroxyl in the molecule CC1(C)CCC(O)(CNC(=O)C2([NH3+])CCOCC2)CC1 with a thiol.,CC1(C)CCC(S)(CNC(=O)C2([NH3+])CCOCC2)CC1
DelComponent,Remove a amine from the molecule CCCOc1nc(NN)nc(OC(C)(C)CC)n1.,CCCOc1nc(N)nc(OC(C)(C)CC)n1
LogP,Please optimize the molecule COc1ccc2c(c1NC(=O)N(CCO)C1CCSCC1)CCC2 to have a higher LogP value.,COc1ccc2c(c1NC(=O)N(CCO)C1(c3ccccc3)CCSCC1)CCC2
MR,Please modify the molecule Cc1ccc(N=NC2(C(N)=O)CCCc3cc4c(nc32)CCCC4)cc1 to increase its MR value.,NC(=O)C1(N=Nc2ccc(CO)cc2)CCCc2cc3c(nc21)CCCC3
QED,Please optimize the molecule CC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 to have a lower QED value.,CC(=O)CSc1nnc(-c2ccc(Cl)c(C(=O)O)c2)n1Cc1ccccc1
AtomNum,"The molecule is composed of 28 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 bromine atom.",CC(C)c1ccc(NC(=O)N(Cc2cccn2Cc2ccc(Br)cc2)C2CCCCC2)cc1
BondNum,"There is a molecule with 15 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=C(NCCc1ccc(Cl)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1
FunctionalGroup,There is a molecule composed of and 1 amine group.,CC(C)c1nc(=O)cc(N)[nH]1
AddComponent,Please add a benzene ring to the molecule Cc1cc(C2C3=CCC4C(=O)N(c5ccc(Cl)cc5)C(=O)C4C3CC3(Cl)C(=O)N(c4ccc(F)cc4)C(=O)C23Cl)ccc1O.,Cc1cc(C2C3=CCC4C(=O)N(c5ccc(Cl)cc5)C(=O)C4C3C(c3ccccc3)C3(Cl)C(=O)N(c4ccc(F)cc4)C(=O)C23Cl)ccc1O
SubComponent,Please substitute a hydroxyl in the molecule Oc1ccc(CCC[NH2+]Cc2ccco2)c(O)c1 with a aldehyde.,CC(=O)c1ccc(CCC[NH2+]Cc2ccco2)c(O)c1
DelComponent,Modify the molecule halo by removing a O=C([O-])CC(Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)[O-].,O=C([O-])CC(Sc1nc2cc(C(F)F)ccc2s1)C(=O)[O-]
LogP,Optimize the molecule CC[NH+]1CCN(c2ccc(NC(=O)c3cccc4c3OC(C)C4C)cc2)CC1 to have a lower LogP value.,CC[NH+]1CCN(NC(=O)c2cccc3c2OC(C)C3C)CC1
MR,Modify the molecule Cc1ccc(Cl)cc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CC[NH+]2CC(CF)C2)cc1 to increase its MR value.,Cc1ccc(C(=O)[OH])cc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CC[NH+]2CC(CF)C2)cc1
QED,Modify the molecule O=C(OCc1cccc(Cl)c1)C(C(=O)OCc1cccc(Cl)c1)=c1ccc(=C(C(=O)OCc2cccc(Cl)c2)C(=O)OCc2cccc(Cl)c2)cc1 to have a higher QED value.,O=C(OCc1cccc(O)c1)C(C(=O)OCc1cccc(Cl)c1)=c1ccc(=C(C(=O)OCc2cccc(Cl)c2)C(=O)OCc2cccc(Cl)c2)cc1
AtomNum,"The molecule is composed of 19 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",CC[NH+](C)C(C)Cc1ccc(OCc2ccc(Cl)cc2)cc1
BondNum,"Please generate a molecule with 7 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(NC(=O)c2cccc(Nc3nccs3)c2)cc1C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 sulfide group.",CC([NH2+]CC(=O)N(C)Cc1nc2ccccc2s1)c1ccccc1
AddComponent,Modify the molecule COc1ccc2ncc(Cl)c(C(O)CCC3(CO)CC[NH+](CCCSc4cccc(F)c4F)CC3)c2c1 by adding a benzene ring.,COc1ccc2ncc(Cl)c(C(O)(CCC3(CO)CC[NH+](CCCSc4cccc(F)c4F)CC3)c3ccccc3)c2c1
SubComponent,Modify the molecule halo by substituting a O=C(COC(C(F)(F)F)C(F)(F)F)c1ccc(F)c(F)c1 with a thiol.,O=C(COC(C(F)(F)F)C(F)(F)S)c1ccc(F)c(F)c1
DelComponent,Please remove a CCN(Cc1ccccc1)C(=O)CI from the molecule benzene ring.,CCN(C)C(=O)CI
LogP,Optimize the molecule CCn1c(C)nc(-c2ccc(Br)c(Cl)c2)c1N to have a lower LogP value.,CCn1c(C)nc(-c2ccc(S)c(Cl)c2)c1N
MR,Please optimize the molecule CN(c1cc(F)cc(CC(=O)c2c(F)cc(F)cc2F)c1)C1CC[NH+](C)CC1 to have a higher MR value.,CN(c1cc(F)cc(CC(=O)c2c(F)cc(F)c(O)c2F)c1)C1CC[NH+](C)CC1
QED,Please modify the molecule O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCc1ccccn1 to decrease its QED value.,O=[N+]([O-])c1c(NCc2ccccn2)cc(N2CC[NH2+]CC2)cc1-c1ccccc1
AtomNum,"Please generate a molecule with 13 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",Cc1ccc(NC(=O)c2ccnc(F)c2F)cc1[N+](=O)[O-]
BondNum,"Please generate a molecule composed of 14 single bonds, 3 double bonds, 8 rotatable bonds, and 10 aromatic bonds.",CCNC(NCC(C)(C)CCS(C)(=O)=O)=[NH+]Cc1nnc2ccccn12
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 halo group.",CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)C2c2ccc(OCC(C)C)c(OC)c2)cc1OCC
AddComponent,Add a hydroxyl to the molecule [CH2]N(CC)C1CCCCC1[NH+](CC)CC.,[CH2]N(CC)C1CCCCC1[NH+](CC)C(C)O
SubComponent,Please substitute a CN(C(=O)COc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O in the molecule halo with a carboxyl.,CN(C(=O)COc1ccc(C(=O)[OH])c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
DelComponent,Please remove a benzene ring from the molecule CC(=O)Nc1cccc(N=Nc2c(C(C)C)nc3ccc(C)cn23)c1.,CC(=O)NN=Nc1c(C(C)C)nc2ccc(C)cn12
LogP,Please modify the molecule CNc1cncc(-c2ccco2)n1 to decrease its LogP value.,CNc1cncc(-c2cc(N)co2)n1
MR,Modify the molecule Cc1cc(CC(C)(O)c2cccnc2)c2[nH]c3c(c2c1)C1CCC[NH+]1CC3 to increase its MR value.,Cc1cc(CC(C)(Cl)c2cccnc2)c2[nH]c3c(c2c1)C1CCC[NH+]1CC3
QED,Optimize the molecule Cc1cn2c(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)csc2[nH+]1 to have a lower QED value.,CC(=O)c1csc(NC(=O)Cc2csc3[nH+]c(C)cn23)c1-c1ncn[nH]1
AtomNum,"The molecule consists of 16 carbon atoms, and 3 nitrogen atoms.",CCc1cc(CC(CC2=CCCCC2)[NH2+]C)n(C)n1
BondNum,"There is a molecule composed of 29 single bonds, 4 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CCOc1ccc(CC(=O)N2CCCNC(=O)Cn3nc(C)nc3C(C(C)C)NC(=O)C(Cc3ccccc3)NC(=O)CCC2)cc1
FunctionalGroup,Please generate a molecule with and 2 amine groups.,CCc1c(NN)ncnc1N1CC(C)CC(C)C1C
AddComponent,Modify the molecule Cc1ccc(C(C)(C)C[NH2+]CC(C)(C)CO)cc1C by adding a benzene ring.,Cc1cc(-c2ccccc2)c(C(C)(C)C[NH2+]CC(C)(C)CO)cc1C
SubComponent,Modify the molecule CCOC1CCC(O)C([NH+](C)C)C1O by substituting a hydroxyl with a carboxyl.,CCOC1CCC(C(=O)[OH])C([NH+](C)C)C1O
DelComponent,Please remove a halo from the molecule CC1CCCCN1C(=O)CSc1ccccc1Cl.,CC1CCCCN1C(=O)CSc1ccccc1
LogP,Modify the molecule CCOP(=O)(CCBr)Oc1ccc(Cl)cc1 to have a lower LogP value.,CCOP(=O)(CCC(=O)[OH])Oc1ccc(Cl)cc1
MR,Modify the molecule CSc1ccc(CC(N)C#N)cc1O to have a lower MR value.,CSc1ccc(CCN)cc1O
QED,Please modify the molecule CC[NH+]1CCC(CCNc2ncnc3oc(-c4ccc(OCC[NH+](C)C)cc4)c(-c4ccccc4)c23)CC1 to decrease its QED value.,CC[NH+]1CCC(CCNc2ncnc3oc(-c4ccc(OCC[NH+](C)C)cc4)c(-c4cccc(O)c4)c23)CC1
AtomNum,"The molecule contains 19 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 3 fluorine atoms.",N#CC1CCCN1C(=O)C([NH3+])Cc1cn(C(N)=O)c2ccc(OC(=O)C(F)(F)F)cc12
BondNum,"The molecule consists of 7 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",Cc1ccc(-c2cc(C(=O)NC(C)c3cccs3)[nH]n2)cc1
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 5 amide groups, and 1 halo group.",Cc1cc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)NC(C)C)ccc3Cl)CC2)ccc1NC(=O)c1ccccc1C
AddComponent,Modify the molecule CCOC(=O)N1CCC(NC(=O)Nc2nnc(Cl)cc2Br)CC1 by adding a carboxyl.,CCOC(=O)N1CCC(NC(=O)Nc2nnc(Cl)cc2Br)(C(=O)O)CC1
SubComponent,Please substitute a COC(C)(C)C(C)Nc1cc(C(=O)[O-])ccc1F in the molecule halo with a carboxyl.,COC(C)(C)C(C)Nc1cc(C(=O)[O-])ccc1C(=O)[OH]
DelComponent,Modify the molecule COc1cc(C=C2SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1C by removing a benzene ring.,COCC=C1SC(=O)N(Cc2cccc3ccccc23)C1=O
LogP,Modify the molecule O=c1c2sccc2n(Cc2ccc(F)cc2)c(=O)n1-c1ccc(F)c(Cl)c1 to decrease its LogP value.,O=c1c2sccc2n(CF)c(=O)n1-c1ccc(F)c(Cl)c1
MR,Modify the molecule CCCOCCOC(=O)CS(=O)(=O)CC#N to have a lower MR value.,CCCOCCOC(=O)CS(C)(=O)=O
QED,Modify the molecule CNC(=O)C[NH+]1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 to decrease its QED value.,CNC(=O)C[NH+]1CCN(C(=O)Cn2ccccc2=O)CC1
AtomNum,"The molecule consists of 29 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",COCCn1ccc2cc(NC(=O)c3nn(-c4ccccc4)cc3-c3ccc(OC)c(OC)c3)ccc21
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",O=C(OCCOc1ccc(F)cc1)c1cc(Cl)c2c(c1)OCO2
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 amine groups.",Cc1nn(-c2ccccc2)cc1CCC[NH+]=C(N)N1CCOCC1
AddComponent,Modify the molecule COc1ccc(-c2nc3cc(Oc4ccc(-c5noc(C)n5)nc4)c(CN4CCCC4=O)cc3[nH]2)nc1 by adding a amine.,COc1ccc(-c2nc3cc(Oc4ccc(-c5noc(C)n5)nc4)c(CN4CCC(N)C4=O)cc3[nH]2)nc1
SubComponent,Please substitute a halo in the molecule O=C(Nc1nc2cccnc2s1)Oc1ccc2cc(-c3c(Cl)cccc3Cl)[nH]c2c1 with a hydroxyl.,O=C(Nc1nc2cccnc2s1)Oc1ccc2cc(-c3c(O)cccc3Cl)[nH]c2c1
DelComponent,Modify the molecule halo by removing a Cc1cncc(C(=O)Nc2c(Br)cc(Br)cc2C(=O)[O-])c1.,Cc1cncc(C(=O)Nc2c(Br)cccc2C(=O)[O-])c1
LogP,Modify the molecule O=C1NC(CCC(=O)N2CCSCC2)C(=O)Nc2ccccc21 to have a lower LogP value.,O=C1NC(O)(CCC(=O)N2CCSCC2)C(=O)Nc2ccccc21
MR,Please optimize the molecule COc1ccc(Br)cc1C1CCCN1C(=O)c1coc(C[NH3+])c1 to have a lower MR value.,COc1ccc(C(=O)[OH])cc1C1CCCN1C(=O)c1coc(C[NH3+])c1
QED,Optimize the molecule CCC(=O)OCC12CCCC(C)=C1CCC1C2CCC2(C)C(OC(=O)CC)CCC12 to have a higher QED value.,CCC(=O)OCC12CCCC(C)=C1CCC1C2CCC2(CO)C(OC(=O)CC)CCC12
AtomNum,"There is a molecule with 14 carbon atoms, 3 oxygen atoms, 1 sulfur atom, and 1 silicon atom.",CCC(C)O[Si](CCS)(OC(C)CC)OC(C)CC
BondNum,"There is a molecule with 14 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 2 amine groups.",C[NH+]=C(NCc1cc(-c2ccccc2)no1)N1CCC([NH+]2CCCCC2)C1
AddComponent,Modify the molecule CC(C)CC([NH3+])C(=O)NC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)[O-])C(C)C by adding a hydroxyl.,CC(C)CC([NH3+])C(=O)NC(O)(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)[O-])C(C)C
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ccc(Br)c(NC(=O)c2cc(C)nn2CCO)c1 with a carboxyl.,Cc1ccc(Br)c(NC(=O)c2cc(C)nn2CCC(=O)[OH])c1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc2c(ccn2CCSc2ccccc2)c1.,Cc1ccc2c(ccn2CCS)c1
LogP,Please optimize the molecule Cn1c(=O)n2n(c1=O)C1CC3C(=O)N(Nc4ncc(C(F)(F)F)cc4Cl)C(=O)C3(c3ccc(Cl)cc3)C(c3ccc(O)cc3Cl)C1=CC2 to have a higher LogP value.,Cn1c(=O)n2n(c1=O)C1CC3C(=O)N(Nc4ncc(C(F)(F)F)cc4Cl)C(=O)C3(c3ccc(Cl)cc3)C(c3ccccc3Cl)C1=CC2
MR,Please modify the molecule CCc1ccc(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1 to increase its MR value.,CCc1ccc(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c(-c2ccccc2)c1
QED,Please modify the molecule CC(C)CC([NH3+])c1sccc1Br to decrease its QED value.,CC(C)CC([NH3+])c1cccs1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",CN(CC(=O)NC1CC1)C(=O)COC(=O)CCC(=O)c1ccc2c(c1)CCCC2
BondNum,"There is a molecule with 21 single bonds, 4 double bonds, 8 rotatable bonds, and 23 aromatic bonds.",CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc(=NC)c(C(CC)C(=O)[O-])c(C)ccc1n2)c(C(CC)C(=O)[O-])c4C)c(C)c3CC
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 3 amine groups, 4 halo groups, and 1 sulfide group.",C[NH+]=C(NCc1ccc(Oc2ccc(F)cc2)nc1)NCc1nc(C(F)(F)F)cs1
AddComponent,Add a benzene ring to the molecule CCCNc1cccc(C[NH+](C)C2CCCC2)n1.,CCCNc1cccc(C[NH+](Cc2ccccc2)C2CCCC2)n1
SubComponent,Substitute a halo in the molecule CCCC[NH+](Cc1ccccc1)C1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 with a thiol.,CCCC[NH+](Cc1ccccc1)C1CCC(=O)N(Cc2cc3c(cc2S)OCO3)CC1
DelComponent,Remove a halo from the molecule C[NH2+]C(c1cc(Br)ccc1I)c1cc(C)ccc1OC.,C[NH2+]C(c1cccc(Br)c1)c1cc(C)ccc1OC
LogP,Optimize the molecule CC(C)NC(=O)c1cccc(NC(=O)CCC(=O)OCCc2ccccc2)c1 to have a lower LogP value.,CC(C)NC(=O)c1cccc(NC(=O)CCC(=O)OCCc2ccc(C#N)cc2)c1
MR,Modify the molecule C=C(C)c1ccc(NC(=O)N2C3=C(C=CC(C(=O)NCC(F)(F)F)[NH2+]3)[NH+]3CCC2C3)nc1 to have a higher MR value.,C=C(CC(=O)O)c1ccc(NC(=O)N2C3=C(C=CC(C(=O)NCC(F)(F)F)[NH2+]3)[NH+]3CCC2C3)nc1
QED,Please optimize the molecule CCC1OC2(C)C(O)C(C=CC=CC=Cc3oc(=O)cc(OC)c3C)OC1(C)C2O to have a higher QED value.,CCC1OC2(C)C(C#N)C(C=CC=CC=Cc3oc(=O)cc(OC)c3C)OC1(C)C2O
AtomNum,"There is a molecule consisting of 24 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",O=[N+]([O-])c1cccc(C2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3C3C=CCC32)c1
BondNum,"The molecule contains 17 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",NC(=O)N1CCCC(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1
FunctionalGroup,"Please generate a molecule composed of 2 hydroxyl groups, 1 amine group, 1 nitro group, and 1 sulfide group.",Nc1ccn(C2OC(COC(=O)OCc3ccc([N+](=O)[O-])s3)C(O)C2O)c(=O)n1
AddComponent,Add a hydroxyl to the molecule CCOP(=O)(OCC)C(Nc1c(C)cc(C)cc1C)c1ccccc1.,CCOP(=O)(OC(C)O)C(Nc1c(C)cc(C)cc1C)c1ccccc1
SubComponent,Please substitute a halo in the molecule O=C(Nc1cccc(-c2cccc(Cl)c2)n1)C1(c2ccc3c(c2)OCO3)CC1 with a carboxyl.,O=C([OH])c1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c1
DelComponent,Modify the molecule amide by removing a CC(CBr)CCCNC(=O)Cc1cccc(F)c1.,CC(CBr)CCCc1cccc(F)c1
LogP,Optimize the molecule COC1C(O)C(C)=CC23OC2(CC(C)C3O)C(=O)C(C)C(O)C2C1C2(C)C to have a higher LogP value.,COC1C(O)C(C)=CC23CC(C)CC2(O3)C(=O)C(C)C(O)C2C1C2(C)C
MR,Please optimize the molecule O=C1NCCC1CC(c1ccc(F)cc1)N1CCC(c2ccc(O)cc2)C(F)(F)C1 to have a higher MR value.,CC(=O)c1ccc(C(CC2CCNC2=O)N2CCC(c3ccc(O)cc3)C(F)(F)C2)cc1
QED,Modify the molecule O=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 to have a higher QED value.,O=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2ccccc2)no1
AtomNum,"The molecule is composed of 15 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCCCc1ccc(-n2nnc(C=O)c2COC)cc1
BondNum,"Please generate a molecule with 5 single bonds, 4 rotatable bonds, and 57 aromatic bonds.",COc1ccc2sc3c(c2c1)c1ccccc1c1c3c2c3ccccc3c3ccccc3c2n1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 thioether group, and 1 sulfide group.",CCC1C(C(OC)Sc2ccccc2)C1(C)C
AddComponent,Modify the molecule NC(=O)c1cc(NCCCc2ccccc2)ccc1N by adding a benzene ring.,NC(=O)c1cc(NCCCc2ccccc2-c2ccccc2)ccc1N
SubComponent,Substitute a hydroxyl in the molecule CC1=C(c2ccc3ccccc3c2C(O)(c2ccccc2)c2ccccc2)CC=C1 with a thiol.,CC1=C(c2ccc3ccccc3c2C(S)(c2ccccc2)c2ccccc2)CC=C1
DelComponent,Modify the molecule benzene ring by removing a CCC1CCC[NH+](CC(=O)Cc2ccc(F)cc2)C1.,CCC1CCC[NH+](CC(=O)CF)C1
LogP,Modify the molecule CCOc1c(Cl)cc(C(=O)NCC(c2ccccc2)[NH+]2CCCC2)cc1OC to decrease its LogP value.,CCOc1c(Cl)cc(C(=O)NC(O)C(c2ccccc2)[NH+]2CCCC2)cc1OC
MR,Please optimize the molecule CC(=NNC(=O)c1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 to have a lower MR value.,CC(=NNC(=O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(C)cc1
QED,Please modify the molecule Cc1noc(-c2ccc(-c3ccc(C(C)(C)C(=O)[O-])cc3)cc2)c1NC(=O)OCCc1ccccc1Cl to decrease its QED value.,Cc1noc(-c2ccc(-c3ccc(C(C)(C)C(=O)[O-])cc3)cc2)c1NC(=O)OCCc1ccc(C(=O)O)cc1Cl
AtomNum,"There is a molecule with 17 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 bromine atom.",COc1ccc(Br)cc1-c1nc(COc2cc(F)ccc2[N+](=O)[O-])cs1
BondNum,"There is a molecule with 32 single bonds, 3 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",O=C(Nc1ccc(F)c(NC(=O)C2CCOC2C(F)(F)F)c1F)c1cc(NC(=O)C2C(c3ccc(F)c(C(F)(F)F)c3)C2(Cl)Cl)ccc1Cl
FunctionalGroup,"The molecule has 2 benzene ring groups, and 1 amine group.",c1ccc(-c2ccccc2Nc2ccc3c(ccc4ccccc43)c2)cc1
AddComponent,Add a carboxyl to the molecule O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)c([N+](=O)[O-])c1.,O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)c(C(=O)O)c1)c1ccc(Br)c([N+](=O)[O-])c1
SubComponent,Please substitute a halo in the molecule CCCNC(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O with a hydroxyl.,CCCNC(=O)C[NH2+]Cc1cc(O)cc(Cl)c1O
DelComponent,Modify the molecule CCOC(=O)c1cnn(-c2cccc(NC(=O)CCNC(=O)c3ccccc3C)c2)c1C by removing a amide.,CCOC(=O)c1cnn(-c2cccc(NC(=O)CCc3(C)cccc-3)c2)c1C
LogP,Please modify the molecule CC1C(=O)C(c2ccc(F)cc2)C(=[NH2+])N1c1ccccc1 to decrease its LogP value.,CC1C(=O)C(c2ccc(NO)cc2)C(=[NH2+])N1c1ccccc1
MR,Optimize the molecule O=C1SC(=Cc2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1c1ccccc1 to have a higher MR value.,O=C(O)c1ccc2cc(COc3ccc(C=C4SC(=O)N(c5ccccc5)C4=O)cc3)ccc2c1
QED,Optimize the molecule COc1ccc(CCNC(=O)c2ccc(Cn3c(=S)[nH]c4ccc(Br)cc4c3=O)cc2)cc1OC to have a lower QED value.,COc1ccc(CCNC(=O)c2ccc(Cn3c(=S)[nH]c4ccc(S)cc4c3=O)cc2)cc1OC
AtomNum,"There is a molecule consisting of 15 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CC(C)c1cnc(COc2cc(N(C)C)ccc2[N+](=O)[O-])o1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",Cc1[nH]c2ccc(C(=O)NC3CCCC3[NH3+])cc2c1C
FunctionalGroup,"Please generate a molecule composed of 1 ester group, 1 amide group, 1 thioether group, and 2 sulfide groups.",COC(=O)C1=C(NC(C)=O)SCC1c1cccs1
AddComponent,Add a hydroxyl to the molecule COc1ccccc1NC(=O)N1CCC(CNC(=O)C2c3ccccc3Oc3ccccc32)CC1.,COc1cc(O)ccc1NC(=O)N1CCC(CNC(=O)C2c3ccccc3Oc3ccccc32)CC1
SubComponent,Substitute a hydroxyl in the molecule CN(CC1(O)CCCC1)C(=O)c1ccc2n[nH]nc2c1 with a halo.,CN(CC1(Cl)CCCC1)C(=O)c1ccc2n[nH]nc2c1
DelComponent,Remove a hydroxyl from the molecule CC(O)CN(C)c1cc[nH+]c(Cl)c1.,CCCN(C)c1cc[nH+]c(Cl)c1
LogP,Please optimize the molecule CCN(CC)c1ccc2c(c1)OC1=CC(=N)C3C=CC(I)=CC3C1=N2 to have a lower LogP value.,CCN(CCO)c1ccc2c(c1)OC1=CC(=N)C3C=CC(I)=CC3C1=N2
MR,Please modify the molecule C=C(C)Cn1c(=S)[nH]c2c(OCC)cccc21 to increase its MR value.,C=C(C)Cn1c(=S)[nH]c2c(OCCO)cccc21
QED,Optimize the molecule COc1ccc2c(c1)C(C(C#N)=C(C)c1cccnc1)=CC2 to have a higher QED value.,COc1ccc2c(c1)C(C(S)=C(C)c1cccnc1)=CC2
AtomNum,"The molecule is composed of 17 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",O=C([O-])CCCCNC(=O)C1(c2ccc(Br)cc2)CCOCC1
BondNum,"The molecule has 7 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CCc1ccc(-n2nnc(CC(=O)[O-])c2C)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 2 amide groups.",COC(=O)NC(C(=O)N1CCCC1c1[nH]c(-c2ccc(-c3ncc(-c4c[nH+]c(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cn3)cc2)c[nH+]1)C(C)C
AddComponent,Add a benzene ring to the molecule COc1cc(OC)cc(C(=O)NCc2cc(C(C)C)no2)c1.,COc1cc(C(=O)NCc2cc(C(C)C)no2)cc(OC)c1-c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule CCn1ncc(OC)c1C(C)(O)Cc1cccc(F)c1 with a nitrile.,CCn1ncc(OC)c1C(C)(C#N)Cc1cccc(F)c1
DelComponent,Remove a halo from the molecule CCC(COC)Nc1c(Cl)cc(N)cc1Cl.,CCC(COC)Nc1ccc(N)cc1Cl
LogP,Optimize the molecule CCOC(=O)C1=C(CSCC[NH3+])N=C(C)C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 to have a lower LogP value.,CCOC(=O)C1=C(CSCC[NH3+])N=C(C)C(C(=O)OC(C)C)C1c1cccc([SH]=O)c1
MR,Please modify the molecule C[NH+](C)Cc1cc(-c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)no1 to increase its MR value.,C[NH+](C)Cc1cc(-c2ccc(-c3nnc(CSCCOc4ccccc4)o3)c(N)c2)no1
QED,Optimize the molecule CN(C(N)=[NH+]CCc1cnc2c(Cl)cnn2c1)C1CC1 to have a lower QED value.,CN(C(N)=[NH+]CCc1cnc2c(O)cnn2c1)C1CC1
AtomNum,"The molecule is composed of 19 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",Cc1cnc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)s1
BondNum,"Please generate a molecule consisting 13 single bonds, 4 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 2 halo groups, and 1 sulfide group.",COc1ccc(Cl)cc1C(=O)Nc1ccc(I)cc1-c1nc2ccccc2s1
AddComponent,Modify the molecule Cc1cccc(COC(=O)NCc2cnccn2)c1 by adding a benzene ring.,Cc1cc(COC(=O)NCc2cnccn2)cc(-c2ccccc2)c1
SubComponent,Please substitute a COC(C)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 in the molecule halo with a thiol.,COC(C)C(=O)N(C)Cc1ccc(C(F)(F)S)cc1
DelComponent,Remove a amine from the molecule CCNC(=NCC(c1cccs1)[NH+]1CCOCC1)NCC1CCCS1.,CCNC(CC1CCCS1)=NCC(c1cccs1)[NH+]1CCOCC1
LogP,Optimize the molecule Cc1ccccc1C1C(=O)NC(=O)CC12CCCC2(C)C to have a lower LogP value.,CC1C(=O)NC(=O)CC12CCCC2(C)C
MR,Optimize the molecule [NH3+]C(CC(F)c1cccc(Cl)c1)C(=O)[O-] to have a higher MR value.,[NH3+]C(C(=O)[O-])C(c1ccccc1)C(F)c1cccc(Cl)c1
QED,Modify the molecule Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F to decrease its QED value.,Cn1c(SCc2ccc(NO)c(Cl)c2)nnc1-c1ccccc1F
AtomNum,"Please generate a molecule with 24 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(-c2ccccc2C(F)(F)F)cc1
BondNum,"Please generate a molecule with 15 single bonds, 4 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",O=C1CC(SC(=O)CCNC(=O)OCc2ccc([N+](=O)[O-])cc2)N1
FunctionalGroup,The molecule is composed of and 2 halo groups.,Brc1cc2c(ccc3c4ccccc4c(Br)cc32)c2ccccc12
AddComponent,Add a benzene ring to the molecule CCOc1ccc(C2CCC[NH+]2Cn2nc(-c3cccs3)n(CC)c2=S)cc1.,CCOc1ccc(C2CCC[NH+]2C(c2ccccc2)n2nc(-c3cccs3)n(CC)c2=S)cc1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(Sc2oc(C=Nc3ccc(C4CCCCC4)cc3)cc2Br)cc1 with a nitrile.,Cc1ccc(Sc2oc(C=Nc3ccc(C4CCCCC4)cc3)cc2C#N)cc1
DelComponent,Remove a CC(O)COc1ccc(C(C)(C)C)cc1C(C)(C)C from the molecule hydroxyl.,CCCOc1ccc(C(C)(C)C)cc1C(C)(C)C
LogP,Please modify the molecule C[NH+]=C(NCCOc1ccccc1)NCC1CCC[NH+](C(C)C)C1 to decrease its LogP value.,CC(C)[NH+]1CCCC(CNC(NCCOc2ccccc2)=[NH+]CC(=O)O)C1
MR,Optimize the molecule CN(CCO)S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N(C)CCO)ccc1-2 to have a higher MR value.,CN(CCO)S(=O)(=O)c1ccc2c(c1)C(=O)c1c-2ccc(S(=O)(=O)N(C)CCO)c1C(=O)O
QED,Please optimize the molecule Cc1ccc(S(=O)(=O)NC2CC[NH+](C)C2c2ccc(Cl)cc2)cn1 to have a lower QED value.,Cc1ccc(S(=O)(=O)NC2CC[NH+](C)C2c2ccc(S)cc2)cn1
AtomNum,"The molecule consists of 16 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",CCC1Oc2ccc([N+](=O)[O-])cc2N(CC(=O)N(C)CCC#N)C1=O
BondNum,"There is a molecule consisting of 6 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",CCc1csc(NCc2nccn2C)n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 halo group.",O=C([O-])c1cc(=O)c2cccc(C=Cc3ccc4c(c3)CC(COCc3ccc(F)cc3)O4)c2o1
AddComponent,Add a benzene ring to the molecule CC(C)(C)C([NH3+])CC(=O)NCc1ccc(C(=O)[O-])nc1.,CC(C)(C)C([NH3+])CC(=O)NC(c1ccccc1)c1ccc(C(=O)[O-])nc1
SubComponent,Please substitute a halo in the molecule Clc1ccc2nc(-c3ccccc3)c(I)n2n1 with a aldehyde.,CC(=O)c1ccc2nc(-c3ccccc3)c(I)n2n1
DelComponent,Remove a CCOC(=O)CCC(=O)Nc1ccc(N2CCCC2)cc1 from the molecule amide.,CCOC(=O)Cc1ccc(N2CCCC2)cc1
LogP,Optimize the molecule CN(CCO)C(=O)NCCOc1ccccc1Cl to have a higher LogP value.,CN(CCS)C(=O)NCCOc1ccccc1Cl
MR,Modify the molecule CCn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C#Cc3cc(C(C)(C)C)cc4c5cc(C(C)(C)C)ccc5n(CC)c34)c21 to have a higher MR value.,CCn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C#Cc3cc(C(C)(C)C)cc4c5cc(C(C)(C)C)ccc5n(C(C)c5ccccc5)c34)c21
QED,Please optimize the molecule CCC(C1CCCCC1)n1cc(C(C)=O)cc1C(=O)[O-] to have a lower QED value.,CC(=O)c1cc(C(=O)[O-])n(C(C2CCCCC2)C(C)c2ccccc2)c1
AtomNum,"There is a molecule with 27 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 1 fluorine atom.",C=CC(=O)Nc1cc(Nc2ncc3cccc(-c4cncc(F)c4)c3n2)c(OC)cc1OCC[NH+](C)C
BondNum,"Please generate a molecule composed of 13 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC1CC(Nc2ccc(C(F)(F)F)cn2)CC[NH2+]1
FunctionalGroup,There is a molecule consisting of and 1 amine group.,COc1cccc2c1N(C)C(C)CCN2
AddComponent,Add a benzene ring to the molecule CCCCCP(=O)(CCl)OCC.,CCOP(=O)(CCl)CCCCCc1ccccc1
SubComponent,Substitute a halo in the molecule FCCSC1CCOCC1 with a hydroxyl.,OCCSC1CCOCC1
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccccc1OC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C.,CCOOC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C
LogP,Please optimize the molecule COC(=O)C(C)([NH3+])CCCN(C)c1cccc(C)c1 to have a lower LogP value.,COC(=O)C(C)([NH3+])CCCN(C)C
MR,Please modify the molecule CCC1CCC(C[NH3+])(C2(O)CCC2)CC1 to increase its MR value.,CCC1CCC(C[NH3+])(C2(S)CCC2)CC1
QED,Modify the molecule CC[NH+](CC)CCNC(C#N)c1ccc(Br)c(Cl)c1 to have a lower QED value.,CC[NH+](CC)CCNC(C#N)c1ccc(S)c(Cl)c1
AtomNum,"There is a molecule consisting of 40 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(O)C(=O)CCCCCCCCCCCCCCCCC
BondNum,"Please generate a molecule consisting 11 single bonds, 3 double bonds, 2 rotatable bonds, and 16 aromatic bonds.",Cn1cc[nH+]c1C1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amide groups, 1 amine group, 4 halo groups, and 1 sulfide group.",Nc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CCl)c1Cl
AddComponent,Modify the molecule CC(=O)N1CCN(C(=O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)CC1 by adding a benzene ring.,CC(=O)N1CCN(C(=O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)CC1c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a O=[N+]([O-])c1ccc(Oc2ccc(F)c(Br)c2)c(CO)c1 with a halo.,O=[N+]([O-])c1ccc(Oc2ccc(F)c(Br)c2)c(CCl)c1
DelComponent,Remove a hydroxyl from the molecule CCC(CC)C(O)C[NH2+]CCCn1ccnc1.,CCC(CC)CC[NH2+]CCCn1ccnc1
LogP,Please optimize the molecule COCCNC(=O)Cn1c(CO)c[nH+]c1SCC(=O)Nc1ccccc1F to have a higher LogP value.,COCCNC(=O)Cn1c(CO)c[nH+]c1SCC(=O)Nc1c(F)cccc1-c1ccccc1
MR,Please optimize the molecule CC1([NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)CC1 to have a lower MR value.,CC1([NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3O)CC2)CC1
QED,Modify the molecule CC(C)(C)c1ccc(C(C)(C)N(C2=CCC(N(c3ccc4ccccc4c3)c3cccc4ccccc34)C=C2)c2ccc3ccccc3c2)cc1 to increase its QED value.,CC(C)(C)C(C)(C)N(C1=CCC(N(c2ccc3ccccc3c2)c2cccc3ccccc23)C=C1)c1ccc2ccccc2c1
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCN(CC)c1ccc(NCCC(=O)NCc2ccccc2)cc1
BondNum,"The molecule is composed of 15 single bonds, and 5 rotatable bonds.",CC(C)C(C)[NH+](C)CCN1CC[NH2+]CC1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amine group, and 2 halo groups.",COc1ccc(C2CC(Nc3ccc(I)cc3Cl)C2)cc1
AddComponent,Please add a hydroxyl to the molecule CCCc1ccc2c(c1)C1OC1C(C)(C)O2.,CCCc1ccc2c(c1O)C1OC1C(C)(C)O2
SubComponent,Substitute a halo in the molecule CCCCC(C)Nc1cnn(CC(F)(F)F)c(=O)c1Br with a nitrile.,CCCCC(C)Nc1cnn(CC(F)(F)C#N)c(=O)c1Br
DelComponent,Remove a CCC(CC)(CNC(=O)C(CC(C)C)NC(=O)Nc1ccc(Br)cc1)P(=O)([O-])[O-] from the molecule amide.,CCC(CC)(C(CC(C)C)NC(=O)Nc1ccc(Br)cc1)P(=O)([O-])[O-]
LogP,Please optimize the molecule O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 to have a lower LogP value.,O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(CSCl)cc1
MR,Please modify the molecule CCCCOc1c[nH]c(CNC(=O)CCC(=O)[O-])cc1=O to increase its MR value.,CCC(COc1c[nH]c(CNC(=O)CCC(=O)[O-])cc1=O)c1ccccc1
QED,Please optimize the molecule Cc1ccc(C(O)c2scnc2Br)c(Br)c1 to have a lower QED value.,Cc1ccc(C(C(=O)[OH])c2scnc2Br)c(Br)c1
AtomNum,"Please generate a molecule with 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",CC[NH2+]C(C)c1ccc(Oc2cc(Br)ccc2F)cn1
BondNum,"The molecule consists of 7 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CN(Cc1cccnc1)c1ccc(C(N)=S)c(Cl)c1
FunctionalGroup,The molecule has and 1 halo group.,Cn1cncc1C1CC1CBr
AddComponent,Please add a hydroxyl to the molecule CC(=O)C1CCN(S(=O)(=O)CCC(C)C)CC1.,CC(=O)C1CCN(S(=O)(=O)C(O)CC(C)C)CC1
SubComponent,Substitute a hydroxyl in the molecule CC(=O)NC(Cc1ccc(Oc2cc(CC(NC(C)=O)C(=O)[O-])ccc2O)c(F)c1)C(=O)[O-] with a thiol.,CC(=O)NC(Cc1ccc(Oc2cc(CC(NC(C)=O)C(=O)[O-])ccc2S)c(F)c1)C(=O)[O-]
DelComponent,Please remove a Cc1cc(C)cc(Cc2nc(C)cc(CO)n2)c1 from the molecule hydroxyl.,Cc1cc(C)cc(Cc2nc(C)cc(C)n2)c1
LogP,Please optimize the molecule CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC(=O)N3CCC(CC(=O)[O-])CC3)no2)cc1C#N to have a higher LogP value.,CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC(=O)N3CCC(CC(=O)[O-])CC3)no2)cc1
MR,Modify the molecule Oc1ccc2cc1C=NC1CCCCC1N=Cc1cc(ccc1O)OCCOc1ccc(O)c(c1)C=NC1CCCCC1N=Cc1cc(ccc1O)OCCO2 to increase its MR value.,CC(=O)c1ccc2cc1C=NC1CCCCC1N=Cc1cc(ccc1O)OCCOc1ccc(O)c(c1)C=NC1CCCCC1N=Cc1cc(ccc1O)OCCO2
QED,Please modify the molecule CC(=O)c1cnc(COc2ccccc2F)nc1C(=O)[O-] to decrease its QED value.,CC(=O)c1cnc(COc2ccccc2)nc1C(=O)[O-]
AtomNum,"The molecule has 20 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CC1CCOC1C(=O)N1CCC(N(C(=O)C2OCCC2C)C(C)C)CC1
BondNum,"Please generate a molecule composed of 11 single bonds, 2 double bonds, 1 triple bond, 3 rotatable bonds, and 18 aromatic bonds.",CC(=O)c1ccc(-c2cccc(C#CC(=O)Oc3ccc(C(C)(C)C)cc3)c2)cc1
FunctionalGroup,The molecule contains and 1 amide group.,Cn1nccc1CCC(=O)N1CC[NH+](C2CN3CCC2CC3)CC1
AddComponent,Please add a aldehyde to the molecule CC(NC(=O)C1([NH3+])CCCCC1)c1ccc(F)c(Cl)c1.,CC(NC(=O)C1([NH3+])CCCCC1)c1ccc(F)c(Cl)c1CC=O
SubComponent,Please substitute a CCc1nn(C)c(CC(=O)c2ccc(C)c(Br)c2)c1Cl in the molecule halo with a nitrile.,CCc1nn(C)c(CC(=O)c2ccc(C)c(C#N)c2)c1Cl
DelComponent,Modify the molecule nitrile by removing a CCOc1cc(C2CCc3cncn32)ccc1C#N.,CCOc1cccc(C2CCc3cncn32)c1
LogP,Optimize the molecule N#Cc1sc(N2CCN(C3C[NH2+]C3)CC2)nc1Cl to have a lower LogP value.,N#Cc1cnc(N2CCN(C3C[NH2+]C3)CC2)s1
MR,Optimize the molecule Bc1cnn2c(NCC3CCCN(S(=O)(=O)c4cc(F)cc(F)c4)C3)cc(-c3ccccc3N)nc12 to have a higher MR value.,Bc1c(O)nn2c(NCC3CCCN(S(=O)(=O)c4cc(F)cc(F)c4)C3)cc(-c3ccccc3N)nc12
QED,Modify the molecule CCC(C)(C([NH3+])Cc1sccc1Br)N(C)C to decrease its QED value.,CCC(C)(C([NH3+])Cc1sccc1C(=O)[OH])N(C)C
AtomNum,"The molecule is composed of 17 carbon atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",C=CCSC(Nc1ccc(Cl)cc1)=[NH+]C(=S)Nc1ccccc1
BondNum,"The molecule contains 12 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",CCc1noc(C)c1C(=O)N1CCC(C)Sc2ccccc21
FunctionalGroup,The molecule contains and 2 hydroxyl groups.,CCCC1(C(=O)[O-])CCC2(C)C(=CCC3C4(C)CC(O)C(O)C(C)(C)C4CCC32C)C1C(C)C
AddComponent,Please add a carboxyl to the molecule O=P(C(=C=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.,O=C(O)c1cccc(P(=O)(C(=C=C(c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c1
SubComponent,Please substitute a halo in the molecule COC(=O)c1cc(NS(=O)(=O)CCCCl)ccc1Cl with a thiol.,COC(=O)c1cc(NS(=O)(=O)CCCS)ccc1Cl
DelComponent,Please remove a halo from the molecule CC(NC(=O)N1CCC(F)(F)CC1)c1ccc(S(C)(=O)=O)cc1.,CC(NC(=O)N1CCC(F)CC1)c1ccc(S(C)(=O)=O)cc1
LogP,Please modify the molecule C[NH2+]C(C)C(=O)NC(C[NH+]1CCCC1CN(CCc1ccc(F)cc1)C(=O)c1cn2cc(N)ccc2[nH+]1)C(C)(C)C to increase its LogP value.,C[NH2+]CC(C[NH+]1CCCC1CN(CCc1ccc(F)cc1)C(=O)c1cn2cc(N)ccc2[nH+]1)C(C)(C)C
MR,Modify the molecule C=C1C(=O)C(c2cnc(C)cc2C2C=C(O)C(=O)C2=O)=C1[O-] to have a lower MR value.,C=C1C(=O)C(c2cnc(C)cc2C2C=CC(=O)C2=O)=C1[O-]
QED,Please modify the molecule CC(=O)N1CC(Nc2cc(NC3CCC([NH3+])CC3)nn3c(C(=O)Nc4ccncc4F)c[nH+]c23)C1 to decrease its QED value.,CC(=O)N1CC(Nc2cc(NC3CCC([NH3+])CC3)nn3c(C(=O)Nc4ccncc4NO)c[nH+]c23)C1
AtomNum,"The molecule has 18 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CC(OCC1CCCCO1)C(=O)NC1CCCN(c2ccnn2C)C1=O
BondNum,"Please generate a molecule composed of 11 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CSCC[NH+](C)CC(=O)Nc1cc(C)ccc1C
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 4 hydroxyl groups, and 1 halo group.",OCC1(c2ccc(Cl)c3c2CC(Cc2ccc(OC4COC4)cc2)O3)OCC(O)C(O)C1O
AddComponent,Please add a amine to the molecule CN(CCc1ccncc1)c1cnc(C(=O)N2CCOCC2)cn1.,CN(CCc1ccncc1)c1cnc(C(=O)N2CCOC(N)C2)cn1
SubComponent,Substitute a halo in the molecule CCCNC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cccc(C(=O)Nc4cc(F)ccc4F)c3)CC2)c(C)c1 with a carboxyl.,CCCNC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cccc(C(=O)Nc4cc(C(=O)[OH])ccc4F)c3)CC2)c(C)c1
DelComponent,Modify the molecule halo by removing a Fc1ccc(-c2cc3c(cc2-c2ccccc2)sc2c4cc(-c5ccccc5)c(-c5ccccc5)cc4sc32)cc1.,c1ccc(-c2cc3sc4c5cc(-c6ccccc6)c(-c6ccccc6)cc5sc4c3cc2-c2ccccc2)cc1
LogP,Please modify the molecule CCCC[NH+]=C(N)NCC[NH+]1CCN(CC)CC1 to increase its LogP value.,CCCC[NH+]=CNCC[NH+]1CCN(CC)CC1
MR,Please optimize the molecule Cc1ccc(Cc2cc3c(c(F)c2Cl)OCN(C2CCCC2O)C3=O)cn1 to have a higher MR value.,Cc1ccc(Cc2cc3c(c(S)c2Cl)OCN(C2CCCC2O)C3=O)cn1
QED,Optimize the molecule CNC(=O)c1ccc(C=CC(=O)N(C)CC(O)C2CC2)cc1 to have a lower QED value.,CNC(=O)C=CC(=O)N(C)CC(O)C1CC1
AtomNum,"There is a molecule consisting of 50 carbon atoms, 3 nitrogen atoms, and 2 sulfur atoms.",c1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-n3c4ccc5c6ccccc6sc5c4c4c5sc6ccccc6c5ccc43)nc2c1
BondNum,"Please generate a molecule with 13 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(NCC1(c2cccc(Br)c2)CCC1)c1ccc([N+](=O)[O-])cc1Cl
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 amide group.",Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC[NH+](C)CC2)c1
AddComponent,Add a hydroxyl to the molecule CC(=O)ON(C(=O)OC(C)(C)C)c1nc(N)ccc1C.,CC(=O)ON(C(=O)OC(C)(C)CO)c1nc(N)ccc1C
SubComponent,Substitute a Cc1cccc2[nH+]cc(C(=O)C(Cl)(Cl)Cl)n12 in the molecule halo with a nitrile.,Cc1cccc2[nH+]cc(C(=O)C(Cl)(Cl)C#N)n12
DelComponent,Remove a CCCc1nc(N)c(C)c(Sc2nncs2)n1 from the molecule amine.,CCCc1ncc(C)c(Sc2nncs2)n1
LogP,Modify the molecule CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2c(NC(=O)C3CC3)cccc2o1 to have a lower LogP value.,CC(C)(C)c1c(O)cccc1Oc1ncccc1Nc1nc2c(NC(=O)C3CC3)cccc2o1
MR,Modify the molecule CC[NH2+]C1CC(OCC(F)F)C12CCCC2 to have a higher MR value.,CC[NH2+]C1CC(OCC(F)F)C12CCC(C(=O)O)C2
QED,Modify the molecule O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1NCc1ccc(F)cc1 to increase its QED value.,O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1NCF
AtomNum,"The molecule consists of 16 carbon atoms, 3 nitrogen atoms, 4 fluorine atoms, and 1 bromine atom.",C[NH+]=C(NCc1ccc(Br)c(F)c1)NC1CCC(C(F)(F)F)CC1
BondNum,"The molecule consists of 20 single bonds, 3 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",CCCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)SC1=[NH+]c1ccc(C)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, and 1 nitro group.",O=[N+]([O-])C1(O)C=CC=CC1C=Nc1ccccc1
AddComponent,Add a aldehyde to the molecule CCC(C)NC(=O)NC(=O)C[NH+](Cc1ccco1)Cc1cccs1.,CCC(CCC=O)NC(=O)NC(=O)C[NH+](Cc1ccco1)Cc1cccs1
SubComponent,Modify the molecule halo by substituting a O=C(Nc1ccc(Cl)cc1)Nc1ccc(OCCCc2ccccc2)cc1 with a nitro.,ONc1ccc(NC(=O)Nc2ccc(OCCCc3ccccc3)cc2)cc1
DelComponent,Please remove a CC(C)c1nn(C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(=S)n1C1CC1 from the molecule halo.,CC(C)c1nn(C[NH+]2CCN(c3ncc(C(F)F)cc3Cl)CC2)c(=S)n1C1CC1
LogP,Please optimize the molecule COc1cc2c(cc1OC)C([NH3+])(C1CC[NH+](Cc3c(OCC[NH+](C)C)cccc3N(C)C)CC1)NC(=[NH+]Cc1ncc[nH]1)N2 to have a lower LogP value.,COc1cc2c(cc1OC)C([NH3+])(C1CC[NH+](Cc3c(OCC[NH+](C)C)cccc3N(C)C)C(O)C1)NC(=[NH+]Cc1ncc[nH]1)N2
MR,Modify the molecule CCNC(NCC1CCCOC1c1ccc(C)cc1)=[NH+]Cc1ccc(OC)cc1OC to increase its MR value.,CCNC(NC(c1ccccc1)C1CCCOC1c1ccc(C)cc1)=[NH+]Cc1ccc(OC)cc1OC
QED,Modify the molecule COc1ccc2nc(-c3ccc(O)c(Br)c3)[nH]c2c1 to have a higher QED value.,COc1ccc2nc(-c3ccc(C(=O)[OH])c(Br)c3)[nH]c2c1
AtomNum,"Please generate a molecule with 37 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(C(=O)Nc4ccc(F)cc4)c3C)CC2)c1
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",O=Cc1c(C2CC2)nn(CCCOc2ccccc2)c1Cl
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 3 amide groups.",CNC(=O)c1ccc(C=CC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
AddComponent,Modify the molecule COc1ccc(CC#Cc2ccc(N3CCCCC3)cc2)cc1 by adding a hydroxyl.,COc1ccc(CC#Cc2ccc(N3CCC(O)CC3)cc2)cc1
SubComponent,Please substitute a nitrile in the molecule N#CCc1ccc(NC(=O)NC2CCCCC23CCCC3)cc1 with a hydroxyl.,O=C(Nc1ccc(CO)cc1)NC1CCCCC12CCCC2
DelComponent,Modify the molecule amide by removing a O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)Nc1nc2ccccc2[nH]1.,O=C1CC2(CCCCC2)Oc2cc(Oc3nc4ccccc4[nH]3)ccc21
LogP,Modify the molecule CC([NH3+])CN(C)c1[nH]cnc(=O)c1N to have a higher LogP value.,CC([NH3+])CN(C)c1cc(=O)nc[nH]1
MR,Optimize the molecule Nc1occ(-c2ccc3c(c2)OCCO3)c1-c1cccs1 to have a lower MR value.,c1csc(-c2cocc2-c2ccc3c(c2)OCCO3)c1
QED,Modify the molecule CC[NH+](CC(=O)[O-])C1CC(NC(=O)N2CCC(Cc3ccccc3F)CC2)C1 to decrease its QED value.,CC[NH+](CC(=O)[O-])C1CC(NC(=O)N2CCC(CF)CC2)C1
AtomNum,"Please generate a molecule consisting 24 carbon atoms, and 1 phosphorus atom.",CCCCCCCCCP(Cc1cccc(C)c1C)c1ccccc1
BondNum,"Please generate a molecule consisting 12 single bonds, 2 double bonds, 5 rotatable bonds, and 28 aromatic bonds.",O=C([O-])Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3ccccc3Oc3ccccc3)cc2[nH]1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 5 amide groups.",CCCNC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2c(C)cccc2C(=O)N(CC)CC)C(C)C)CC1
AddComponent,Add a hydroxyl to the molecule CN1CC[NH+](CC2CCN(C(=O)NCCc3cccnc3)CC2)CC1.,CN1CC[NH+](CC2CCN(C(=O)NCCc3cccnc3)CC2)CC1O
SubComponent,Modify the molecule C[NH+]1CCN(c2ccn(-c3cc(-c4c(F)cccc4C#N)nc4c3C(=O)NC4)n2)CC1 by substituting a halo with a nitro.,C[NH+]1CCN(c2ccn(-c3cc(-c4c(C#N)cccc4NO)nc4c3C(=O)NC4)n2)CC1
DelComponent,Remove a benzene ring from the molecule CCn1cc(CC[NH+](C)C)c2c(OCc3ccccc3)c(F)ccc21.,CCn1cc(CC[NH+](C)C)c2c(OC)c(F)ccc21
LogP,Please optimize the molecule COC(=O)CCc1c(CCOS(=O)(=O)c2ccc(C)cc2)ccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 to have a lower LogP value.,COC(=O)CCc1c(CCOS(=O)(=O)c2ccc(C)cc2)ccc2c1CCC(NS(=O)(=O)Cl)C2
MR,Please modify the molecule CCNc1nc(N2CCCC2C)nc(-n2ccnc2)n1 to increase its MR value.,CCNc1nc(N2CCCC2(C)O)nc(-n2ccnc2)n1
QED,Modify the molecule Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCC1CCCO1 to have a lower QED value.,Cc1nn(-c2ccc(O)cc2)c(C)c1C(=O)NCC1CCCO1
AtomNum,"There is a molecule consisting of 7 carbon atoms, and 4 oxygen atoms.",CCOC(=O)C1(OCC)CO1
BondNum,"The molecule consists of 17 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(C(=O)N(C)C(C)C)c2)c(C)c1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, and 1 sulfide group.",Cc1nc2sc(C(c3ccco3)[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)c(O)n2n1
AddComponent,Please add a benzene ring to the molecule CC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1.,CC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cc(C(=O)OCc2ccccc2)cc(-c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a CC(=O)c1cc(Cl)c(C)c(Br)c1-c1cc(F)cc(F)c1 with a carboxyl.,CC(=O)c1cc(C(=O)[OH])c(C)c(Br)c1-c1cc(F)cc(F)c1
DelComponent,Remove a amide from the molecule CC(CC1CCCC1)C(=O)Nc1cccc(CC(=O)[O-])c1.,CC(c1cccc(CC(=O)[O-])c1)C1CCCC1
LogP,Modify the molecule O=C(c1ccccc1F)N1C(COCc2ccccc2)C=CCS1(=O)=O to decrease its LogP value.,O=C(c1ccccc1F)N1C(COCc2ccccc2)(C(=O)O)C=CCS1(=O)=O
MR,Please modify the molecule N#Cc1c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cncc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12 to increase its MR value.,Sc1c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cncc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12
QED,Modify the molecule COc1c(NCC2CCC[NH+](C)C2)[nH]cnc1=O to have a higher QED value.,COc1c(CC2CCC[NH+](C)C2)[nH]cnc1=O
AtomNum,"The molecule contains 48 carbon atoms, and 1 oxygen atom.",c1ccc(-c2c3ccccc3c(-c3ccc(-c4cc(-c5ccccc5)c5oc6ccccc6c5c4)c4ccccc34)c3ccccc23)cc1
BondNum,"Please generate a molecule composed of 15 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=S(=O)(c1ccc(NC2C=CCCC2)cc1)N1CCOCC1
FunctionalGroup,"Please generate a molecule consisting 2 halo groups, and 1 sulfone group.",O=S1(=O)CCCC(n2c(CCCl)nc3cc(Br)ccc32)C1
AddComponent,Modify the molecule O=C(c1ccccc1)N1CCc2c([nH]n(-c3ccccc3)c2=O)-c2cccnc21 by adding a benzene ring.,O=C(c1ccccc1)N1CCc2c([nH]n(-c3cccc(-c4ccccc4)c3)c2=O)-c2cccnc21
SubComponent,Please substitute a CC(CCl)CCCNC(=O)c1cccc(F)c1Br in the molecule halo with a nitrile.,CC(CC#N)CCCNC(=O)c1cccc(F)c1Br
DelComponent,Modify the molecule benzene ring by removing a CC[NH2+]Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Br)o1.,CC[NH2+]Cc1ccc(S(=O)(=O)N(Cl)Br)o1
LogP,Please modify the molecule Cc1cccc(S(c2cccc(C)c2C)=P(O)(O)S)c1C to increase its LogP value.,Cc1cccc(S(c2cccc(C)c2C)=P(O)(S)C#N)c1C
MR,Modify the molecule CC[NH+](CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(O)COc1cccc(C)c1 to decrease its MR value.,CC[NH+](CC)CCc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(O)COc1cccc(C)c1
QED,Modify the molecule O=[S+]([O-])(Nc1cccnc1)c1ccc2c(c1)OCC[NH+](Cc1ccncc1F)C2 to have a lower QED value.,ONc1cnccc1C[NH+]1CCOc2cc([S+](=O)([O-])Nc3cccnc3)ccc2C1
AtomNum,"There is a molecule composed of 15 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",CCCc1c(Cl)ncnc1Nc1c(C#N)cccc1OC
BondNum,"The molecule has 19 single bonds, 3 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(COc2cccc(C=C3SC(=[NH+]c4cccc(C)n4)N(C4CCCCC4)C3=O)c2)cc1
FunctionalGroup,"Please generate a molecule with 2 hydroxyl groups, 1 ketone group, and 1 halo group.",CC12CCC(O)(C#CCl)CC1CCC1C2CCC2(C)C(C(=O)CO)CCC12
AddComponent,Modify the molecule CCOC(=O)c1ccccc1NC(=O)C1(CC)CC[NH2+]C1 by adding a amine.,CCOC(=O)c1c(N)cccc1NC(=O)C1(CC)CC[NH2+]C1
SubComponent,Substitute a hydroxyl in the molecule COc1ccc2nc(-c3cccc(O)c3O)sc2c1 with a aldehyde.,CC(=O)c1cccc(-c2nc3ccc(OC)cc3s2)c1O
DelComponent,Modify the molecule amide by removing a Cc1ccc(OC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)cc1C.,Cc1ccc(OC(=O)CCc2cccc(Cl)c2)cc1C
LogP,Please modify the molecule CC(C)(Nc1ccc2c(n1)CCCC2)C(=O)[O-] to increase its LogP value.,CC(C)(C(=O)[O-])c1ccc2c(n1)CCCC2
MR,Modify the molecule Cc1cc(C)c2c(c1)CC(O)(C[NH3+])CO2 to have a lower MR value.,Cc1cc(C)c2c(c1)CC(C[NH3+])CO2
QED,Modify the molecule CC(C)[NH2+]Cc1cccc(Br)c1OCc1ncccn1 to decrease its QED value.,CC(C)[NH2+]C(Br)OCc1ncccn1
AtomNum,"The molecule contains 33 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 2 fluorine atoms, and 1 chlorine atom.",CNC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccccc3C(=O)Nc3ccc(F)cc3F)CC2)c1
BondNum,"Please generate a molecule with 12 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",CCN(CC1CCOC1)C(=O)c1[nH]ncc1N
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",CC1(c2ccc(CC(=O)[O-])cc2)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c21
AddComponent,Add a benzene ring to the molecule OC(c1ccccc1Br)c1sccc1Br.,OC(c1cccc(-c2ccccc2)c1Br)c1sccc1Br
SubComponent,Modify the molecule CC1(C)C(Cl)CC1OCc1ccc(Cl)cc1 by substituting a halo with a hydroxyl.,CC1(C)C(O)CC1OCc1ccc(Cl)cc1
DelComponent,Modify the molecule hydroxyl by removing a CCN(CC(C(N)=S)C(F)(F)F)CC(C)(C)O.,CCN(CC(C)C)CC(C(N)=S)C(F)(F)F
LogP,Optimize the molecule CCON=Cc1cc(Cl)ccc1OC(=O)NC to have a lower LogP value.,CCON=Cc1cc(C(=O)[OH])ccc1OC(=O)NC
MR,Please optimize the molecule CCc1cc(C(O)C(=O)OC)c(F)cc1F to have a higher MR value.,CCc1cc(C(O)(C(=O)O)C(=O)OC)c(F)cc1F
QED,Please modify the molecule CC(C)(C)OC(=O)N1CC(C(C)(C)Oc2cc(F)cc3c2cnn3C2CCCCO2)C1 to decrease its QED value.,CC(C)(C)OC(=O)N1CC(C(C)(C)Oc2c(CC=O)c(F)cc3c2cnn3C2CCCCO2)C1
AtomNum,"The molecule consists of 20 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CC(C)(NC(=O)Nc1ccccc1N1CCOCC1)c1ccc(Cl)cc1
BondNum,"Please generate a molecule consisting 13 single bonds, 1 triple bond, 6 rotatable bonds, and 6 aromatic bonds.",CC(C)N(B(Cl)OCCC#Cc1ccccc1)C(C)C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",Cc1ccc(F)c(NC(=O)NCCCC(C)(C)CO)c1
AddComponent,Please add a benzene ring to the molecule COC(=O)C(OCc1ccccc1)C(OCc1ccccc1)C(O)C(O)COCc1ccccc1.,COC(=O)C(OCc1ccccc1)C(OCc1cccc(-c2ccccc2)c1)C(O)C(O)COCc1ccccc1
SubComponent,Please substitute a CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3ccccc3F)n12 in the molecule halo with a nitro.,CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3ccccc3NO)n12
DelComponent,Modify the molecule benzene ring by removing a O=C1SC(c2ccccc2)=C(C(=O)c2ccccc2)C1=O.,O=C1SC=C(C(=O)c2ccccc2)C1=O
LogP,Optimize the molecule COc1cc(C=CC(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc(Cl)c1OC(C)C to have a lower LogP value.,COc1cc(C=CC(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc(S)c1OC(C)C
MR,Modify the molecule COc1cc(Cl)c(-n2c(=O)n(CCO)c3cccnc32)cc1OCc1c(OC)ccc(F)c1F to increase its MR value.,COc1cc(Cl)c(-n2c(=O)n(CCO)c3cccnc32)cc1OCc1c(F)c(F)cc(N)c1OC
QED,Modify the molecule Cc1ccccc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12 to increase its QED value.,CNS(=O)(=O)c1cccc2c(N(C)C)cccc12
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 6 oxygen atoms, and 1 sulfur atom.",CC(=O)OC1=C(c2ccccc2)C(c2ccccc2)CC1OS(=O)(=O)[O-]
BondNum,"The molecule has 14 single bonds, 3 double bonds, 1 triple bond, 6 rotatable bonds, and 6 aromatic bonds.",Cc1cccc(C=CC(=O)OCC(=O)NC(C)(C#N)C2CC2)c1
FunctionalGroup,Please generate a molecule consisting and 1 sulfide group.,CN(C)C(=O)NN=Cc1cscn1
AddComponent,Add a benzene ring to the molecule CC(O)(CNC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)C(=O)[O-].,CC(O)(C(=O)[O-])C(NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a CN(CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)C(=O)OC(C)(C)C with a hydroxyl.,CN(CC(=O)Nc1ccc(Oc2ccc(O)cc2)nc1)C(=O)OC(C)(C)C
DelComponent,Please remove a amine from the molecule Nc1ccc2nnc(-c3csnn3)n2c1.,c1ccn2c(-c3csnn3)nnc2c1
LogP,Optimize the molecule ClCc1noc(C2CCC3CCCCC3C2)n1 to have a lower LogP value.,OCc1noc(C2CCC3CCCCC3C2)n1
MR,Please optimize the molecule COc1nccnc1C=CB(O)O to have a lower MR value.,COc1nccnc1C=CBO
QED,Modify the molecule CCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1CCC(C)C(Sc2ccccc2)O1 to increase its QED value.,CCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1CCC(C)C(S)O1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cn1nccc1CC[NH2+]CC1CCC=CO1
BondNum,"The molecule consists of 7 single bonds, 1 triple bond, 3 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(C(C)Nc2cccc(C)c2C#N)s1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 3 halo groups, 4 thioether groups, and 2 sulfide groups.",C[NH2+]C(c1cccc(C(F)(F)F)c1)C1SCCSC1C
AddComponent,Modify the molecule CC([NH2+]CC1(C)CC1)c1ccc(Cl)s1 by adding a benzene ring.,CC([NH2+]CC1(Cc2ccccc2)CC1)c1ccc(Cl)s1
SubComponent,Substitute a halo in the molecule CCONC(=O)CCCCCNC(=O)c1cccc(CCl)c1 with a aldehyde.,CC(=O)Cc1cccc(C(=O)NCCCCCC(=O)NOCC)c1
DelComponent,Please remove a benzene ring from the molecule CCN=c1ccc2c(-c3ccccc3C(=O)N(C)CCCC(=O)NCC[NH2+]C(O)CCNC(=O)C(C)(C)CC)c3ccc(N)c(S(=O)(=O)[O-])c3oc-2c1S(=O)(=O)[O-].,CCN=c1ccc2c(C(=O)N(C)CCCC(=O)NCC[NH2+]C(O)CCNC(=O)C(C)(C)CC)c3ccc(N)c(S(=O)(=O)[O-])c3oc-2c1S(=O)(=O)[O-]
LogP,Please optimize the molecule CCO[Si](CCCCCN(c1ccccc1)[Si](C(C)C)(C(C)C)C(C)C)OCC to have a lower LogP value.,CCO[Si](CCCCCN[Si](C(C)C)(C(C)C)C(C)C)OCC
MR,Please modify the molecule COc1cc(COS(C)(=O)=O)cc(OC)c1OC to increase its MR value.,COc1cc(COS(=O)(=O)CO)cc(OC)c1OC
QED,Please optimize the molecule CC1COCCN1c1cc(CS(=O)(=O)C2CC2)nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)n1 to have a higher QED value.,CC1COCCN1c1cc(CS(=O)(=O)C2CC2)nc(NC(=O)Oc2ccccc2)n1
AtomNum,"The molecule consists of 12 carbon atoms, and 3 oxygen atoms.",CCOCC(=O)c1cc(C)ccc1OC
BondNum,"There is a molecule composed of 9 single bonds, 2 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",CC(=O)CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 halo group.",CC[NH+](CC)CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
AddComponent,Add a hydroxyl to the molecule COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Cl.,COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2O)ccc1Cl
SubComponent,Please substitute a halo in the molecule Cc1cccc(C2C(=C([O-])c3ccc4c(c3)CCCC4)C(=O)C(=O)N2c2nc3c(F)cc(F)cc3s2)c1 with a nitro.,Cc1cccc(C2C(=C([O-])c3ccc4c(c3)CCCC4)C(=O)C(=O)N2c2nc3c(NO)cc(F)cc3s2)c1
DelComponent,Please remove a amide from the molecule COc1ccccc1NC(=O)COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC.,COc1ccccc1Oc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC
LogP,Please modify the molecule Cc1csc(C(O)c2cncc3ccccc23)c1Cl to decrease its LogP value.,Cc1csc(C(O)c2cncc3ccccc23)c1
MR,Modify the molecule CCCCC(=O)CC1c2cc(OC)ccc2CCN1c1ccccc1 to decrease its MR value.,CCCCC(=O)CC1NCCc2ccc(OC)cc21
QED,Modify the molecule O=C(c1nc(Cl)ccc1Cl)N1CCCSCC1 to have a higher QED value.,O=C(c1nc(S)ccc1Cl)N1CCCSCC1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",O=C(Cc1ccccc1Cl)NCC(c1ccccc1)[NH+]1CCOCC1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",O=C1OCC(c2ccccc2)N1CCCBr
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ketone group, and 1 ester group.",CCC(=O)CCCCCCC[NH+](CCCCCCCC(=O)OC)Cc1ccccc1
AddComponent,Please add a carboxyl to the molecule C[Si](C)(C)CCOCn1cc(C#Cc2cccc(Br)c2)cn1.,C[Si](C)(C)CCOCn1cc(C#Cc2cc(Br)cc(C(=O)O)c2)cn1
SubComponent,Modify the molecule CC(C)C(OC(=O)n1c2ccccc2c2ccccc21)C(=O)NC(CC(=O)N1CC[NH+](C)CC1)C(=O)CF by substituting a halo with a thiol.,CC(C)C(OC(=O)n1c2ccccc2c2ccccc21)C(=O)NC(CC(=O)N1CC[NH+](C)CC1)C(=O)CS
DelComponent,Modify the molecule halo by removing a COc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1OC.,COc1ccc(N(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1OC
LogP,Modify the molecule OC(c1cc2cccc(F)c2o1)c1ncc(Cl)cc1Cl to have a lower LogP value.,OC(c1cc2cccc(F)c2o1)c1ncccc1Cl
MR,Please optimize the molecule [NH3+]CC(F)(c1cccc(C2CCC2)c1)C1CC1 to have a higher MR value.,[NH3+]CC(NO)(c1cccc(C2CCC2)c1)C1CC1
QED,Please optimize the molecule CCCCCCCCC1CCC(C2CC=C(CCc3ccc(F)c(F)c3)CC2)CC1 to have a higher QED value.,CCCCCCCCC1CCC(C2CC=C(CC(F)F)CC2)CC1
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",O=C(NC1CCCc2sc(Cl)cc21)c1coc2c1C(=O)CCC2
BondNum,"Please generate a molecule composed of 13 single bonds, 2 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",CCCNc1ncc([N+](=O)[O-])cc1C(=O)NCCCOC
FunctionalGroup,"There is a molecule composed of 2 amide groups, and 1 sulfide group.",CC(NC(=O)C[NH+]1CCOCC1C(N)=O)c1cccs1
AddComponent,Please add a amine to the molecule CCc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)cc12.,CCc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)c(Cl)c3N)c(Cl)cc12
SubComponent,Modify the molecule CCOc1ccccc1NC(=O)C(C#N)=Cc1ccc(O)cc1 by substituting a nitrile with a thiol.,CCOc1ccccc1NC(=O)C(S)=Cc1ccc(O)cc1
DelComponent,Remove a halo from the molecule CC(C)Cc1nnc(NC(=O)Cc2cc3c(cc2Br)OCCO3)s1.,CC(C)Cc1nnc(NC(=O)Cc2ccc3c(c2)OCCO3)s1
LogP,Please modify the molecule COc1cc(C=C2SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc(I)c1OCc1ccc(I)cc1 to decrease its LogP value.,COc1cc(C=C2SC(=O)N(CC(=O)N3CCCCC(O)C3)C2=O)cc(I)c1OCc1ccc(I)cc1
MR,Modify the molecule O=C([O-])C1CCN(c2ccccn2)C(c2cccc(F)c2F)C1 to increase its MR value.,O=C([O-])C1CCN(c2ccccn2)C(c2ccccc2)(c2cccc(F)c2F)C1
QED,Optimize the molecule COc1ccc(-n2c(C)ccc2C=C2SC(Nc3cccc(Cl)c3C)=[NH+]C2=O)cc1 to have a lower QED value.,CC(=O)c1cccc(NC2=[NH+]C(=O)C(=Cc3ccc(C)n3-c3ccc(OC)cc3)S2)c1C
AtomNum,"There is a molecule with 11 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCC(C)[NH+](C)CCn1cncc1C=O
BondNum,"There is a molecule composed of 22 single bonds, 1 double bond, and 10 rotatable bonds.",CCNC(NCCCCC[NH+]1CCCCC1)=[NH+]CC(C)(C)SC
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 2 amide groups.",COc1ccc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1N1CCCC1=O
AddComponent,Modify the molecule CCOC(=O)N1CCCC12CC=C(OS(=O)(=O)C(F)(F)F)CC2 by adding a carboxyl.,CCOC(=O)N1CCCC12CCC(OS(=O)(=O)C(F)(F)F)=CC2C(=O)O
SubComponent,Modify the molecule hydroxyl by substituting a Nc1c(F)cccc1NCC1CCCC1CO with a nitrile.,N#CCC1CCCC1CNc1cccc(F)c1N
DelComponent,Modify the molecule benzene ring by removing a CC(=O)c1cccc(S(=O)(=O)N2CCc3c([nH]c(=O)c4ccccc34)C2)c1.,CC(=O)S(=O)(=O)N1CCc2c([nH]c(=O)c3ccccc23)C1
LogP,Optimize the molecule N#Cc1ccc(N2CCCC3(CCOCC3)C2)c(F)c1 to have a higher LogP value.,Fc1ccccc1N1CCCC2(CCOCC2)C1
MR,Please modify the molecule N#Cc1ccc(F)cc1C1CC1 to decrease its MR value.,Oc1ccc(F)cc1C1CC1
QED,Modify the molecule CCC1CCCN(c2cc(C)c(F)cc2C(C)[NH3+])C1 to decrease its QED value.,CCC1CCCN(c2cc(C)c(O)cc2C(C)[NH3+])C1
AtomNum,"The molecule has 12 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",NNC(=O)c1ccc(C[NH+]2CCn3ccnc3C2)o1
BondNum,"The molecule has 19 single bonds, 3 double bonds, and 6 rotatable bonds.",CN(CC[NH+]1CCOCC1)C(=O)CS(=O)(=O)C1CCCC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, and 1 halo group.",Cc1ccc(C(C)Nc2cc(OC(C)C)ncn2)cc1F
AddComponent,Modify the molecule C[NH2+]CC(CCOC)Cc1ccccc1OC by adding a carboxyl.,C[NH2+]CC(CCOC)Cc1cccc(C(=O)O)c1OC
SubComponent,Please substitute a halo in the molecule COc1ccc(-c2nc3c(c(Nc4ccc(CC(=O)[O-])c(F)c4)n2)S(=O)(=O)CCC3)cc1 with a carboxyl.,COc1ccc(-c2nc3c(c(Nc4ccc(CC(=O)[O-])c(C(=O)[OH])c4)n2)S(=O)(=O)CCC3)cc1
DelComponent,Remove a CCCCc1ccn(C2CCC(C)(CO)O2)c(=O)n1 from the molecule hydroxyl.,CCCCc1ccn(C2CCC(C)(C)O2)c(=O)n1
LogP,Please optimize the molecule COc1cc(C(C)Nc2ncnc3scc(-c4ccccc4)c23)ccc1OCCO to have a lower LogP value.,COc1cc(C(C)Nc2ncnc3scc(-c4ccccc4)c23)ccc1OCCNO
MR,Please optimize the molecule C[NH2+]CCCC(CCC(F)(F)C(F)(F)F)SC(CCC[NH2+]C)CCC(F)(F)C(F)(F)F to have a lower MR value.,C[NH2+]CCCC(CCC(F)(F)C(F)F)SC(CCC[NH2+]C)CCC(F)(F)C(F)(F)F
QED,Modify the molecule CCSc1nc(NCC(C)C)c2cnn(CCNC(=O)Cc3cccs3)c2n1 to have a higher QED value.,CCSc1nc(CC(C)C)c2cnn(CCNC(=O)Cc3cccs3)c2n1
AtomNum,"Please generate a molecule composed of 29 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",O=C(NCCC1=CCCCC1)C(=Cc1ccc(C(=O)NO)cc1)COc1cccc2ccccc12
BondNum,"There is a molecule composed of 17 single bonds, 1 double bond, 10 rotatable bonds, and 6 aromatic bonds.",CCCC[Si](C)(C)O[Si](C)(C)CCCc1ccccc1OC(C)=O
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 halo group, and 1 sulfoxide group.",CC1c2ccccc2S(=O)C(c2ccccc2OCCOCCBr)(C(C)C)N1[O-]
AddComponent,Please add a hydroxyl to the molecule CCCNC(CC(F)(F)F)c1ccc2c(c1)OCCO2.,CCCNC(c1ccc2c(c1)OCCO2)C(O)C(F)(F)F
SubComponent,Please substitute a nitro in the molecule COCCCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2ccc([N+](=O)[O-])cc2)C1=O with a thiol.,COCCCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2ccc([SH]=O)cc2)C1=O
DelComponent,Modify the molecule halo by removing a Cn1nc(C(=O)NC(CCO)c2ccccc2)c2c1C(=Cc1cccc(F)c1)CCCC2.,Cn1nc(C(=O)NC(CCO)c2ccccc2)c2c1C(=Cc1ccccc1)CCCC2
LogP,Please modify the molecule O=c1oc2ccccc2c2c1C(c1ccccc1)C(c1ccc(Cl)cc1)C2 to decrease its LogP value.,O=c1oc2ccccc2c2c1C(c1ccccc1)C(c1ccccc1)C2
MR,Modify the molecule CCCNc1nc(C2CCOC2)nc(C(C)(C)C)c1Br to have a lower MR value.,CCCNc1nc(C2CCOC2)nc(C(C)(C)C)c1S
QED,Please modify the molecule N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c1 to increase its QED value.,N#Cc1ccnc(N2CC[NH+](C3CCOC3)CC2)c1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCC1CCCCC1OCC(CS(N)(=O)=O)C(C)C
BondNum,"The molecule has 16 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCC(C[NH3+])C2)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 ester group.",CCOC(=O)C=Nc1ccc(OC)cc1OC
AddComponent,Modify the molecule O=C(CC1COCC[NH2+]1)Nc1ccc2nc[nH]c2c1 by adding a amine.,Nc1c(NC(=O)CC2COCC[NH2+]2)ccc2nc[nH]c12
SubComponent,Substitute a halo in the molecule O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccc(Cl)cn1 with a carboxyl.,O=C(Nc1ccc(C(=O)[OH])c(C(F)(F)F)c1)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccc(Cl)cn1
DelComponent,Modify the molecule CCOc1ccccc1CCNC(=O)Nc1cccc(SC)c1 by removing a benzene ring.,CCOc1ccccc1CCNC(=O)NSC
LogP,Modify the molecule CC(C)(Cc1ccccc1Cl)NC=O to have a lower LogP value.,CC(C)(CCl)NC=O
MR,Modify the molecule COc1ccccc1N=Nc1c(-c2ccccc2)nc2c(C)cccn12 to increase its MR value.,COc1cc(O)ccc1N=Nc1c(-c2ccccc2)nc2c(C)cccn12
QED,Please modify the molecule CCCCCCCCC(CCCCCC)COc1ccc(C)cc1 to increase its QED value.,CCCCCCCCC(COc1ccc(C)cc1)C(O)CCCCC
AtomNum,"There is a molecule consisting of 49 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 3 sulfur atoms, and 3 fluorine atoms.",Cc1ccc(-c2cc3c(s2)-c2sc(-c4ccc(-c5ccc(C(F)(F)F)cc5)c5nsnc45)cc2OC3(CCC(C)CCCC(C)C)CCC(C)CCCC(C)C)cc1
BondNum,"There is a molecule with 10 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCc1nn(C)c(CC(O)CSC)c1Br
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 hydroxyl group.",CCCCCCCCCCCCCCCCCCN(CC)c1cccc(O)c1
AddComponent,Modify the molecule CN(CC(C)(C)C[NH3+])C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 by adding a hydroxyl.,CC(C)(C[NH3+])CN(CO)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
SubComponent,Substitute a halo in the molecule Cc1cccc(SCC([NH3+])c2cc3cccc(F)c3o2)c1 with a thiol.,Cc1cccc(SCC([NH3+])c2cc3cccc(S)c3o2)c1
DelComponent,Modify the molecule amine by removing a NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CO)C1.,Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CO)C1
LogP,Modify the molecule C=C(Cl)C[NH2+]C(C)(C)c1nccs1 to decrease its LogP value.,C=C(C[NH2+]C(C)(C)c1nccs1)NO
MR,Modify the molecule CCN1C(=O)c2cccc3c(-c4ccc(O)cc4)ccc1c23 to have a higher MR value.,CCN1C(=O)c2cccc3c(-c4ccc(O)cc4)cc(-c4ccccc4)c1c23
QED,Optimize the molecule CC1CN(C(=O)C(C)Oc2ccccc2C(F)(F)F)CC[NH2+]1 to have a lower QED value.,CC1CN(C(=O)C(C)Oc2ccccc2C(F)F)CC[NH2+]1
AtomNum,"There is a molecule composed of 15 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",C=CCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 8 rotatable bonds, and 17 aromatic bonds.",CCn1nc(-c2cccc(F)c2)cc1C(=O)NCCc1ccc(OC)c(OC)c1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 nitro group, 1 thioether group, and 1 sulfide group.",CCC(C)Sc1nc(=O)cc(Cc2ccc([N+](=O)[O-])cc2)[nH]1
AddComponent,Modify the molecule Cc1nc(CCN(C)C(=O)C(C)Nc2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)no1 by adding a hydroxyl.,Cc1nc(CCN(C)C(=O)C(CO)Nc2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)no1
SubComponent,Modify the molecule halo by substituting a CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3C)[nH]c2=O)cc1 with a thiol.,CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(S)c3C)[nH]c2=O)cc1
DelComponent,Please remove a amide from the molecule O=C(C1CSC[NH2+]1)N(Cc1ccco1)C1CC1.,c1coc(CC2SC[NH2+]C23CC3)c1
LogP,Please modify the molecule CC(C)C[NH+](Cc1nc(N)ccc1Cl)CC(C)C to decrease its LogP value.,CC(C)C[NH+](Cc1nc(N)ccc1C(=O)[OH])CC(C)C
MR,Please optimize the molecule CCC(CCO)[NH2+]C(CN)c1ccc2c(c1)OCCCO2 to have a lower MR value.,CCC(CCO)[NH2+]C(C)c1ccc2c(c1)OCCCO2
QED,Optimize the molecule CC(C)OCCN(C)C(=O)CC1CCC([NH3+])CC1 to have a lower QED value.,CC(C)OCC(C)C1CCC([NH3+])CC1
AtomNum,"Please generate a molecule composed of 25 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",O=C(Oc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc(=O)[nH]2)cc1)c1ccccc1
BondNum,"There is a molecule consisting of 15 single bonds, 4 double bonds, 9 rotatable bonds, and 23 aromatic bonds.",CCC(C)N(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)S(=O)(=O)c1cccc2ccccc12
FunctionalGroup,There is a molecule composed of and 2 amide groups.,C=CCN1C(=O)CCc2cc(OCCCC(=O)N3CC[NH+](C4CCCCC4)CC3)ccc21
AddComponent,Please add a benzene ring to the molecule Cc1oc(-c2ccccc2)nc1CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C.,Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C
SubComponent,Modify the molecule halo by substituting a COc1ccc(C(=O)N2CCOCCNC(=O)CC2)cc1F with a nitro.,COc1ccc(C(=O)N2CCOCCNC(=O)CC2)cc1NO
DelComponent,Please remove a C[NH+]=C(NCc1cccc(Cn2cncn2)c1)N1CCOC(c2cnn(C)c2)C1 from the molecule amine.,CC(NCc1cccc(Cn2cncn2)c1)N1CCOC(c2cnn(C)c2)C1
LogP,Please modify the molecule CC([NH2+]CCSc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 to decrease its LogP value.,CC([NH2+]CCSc1cccc(C(F)(F)S)c1)c1cccc2ccccc12
MR,Modify the molecule COCC(C)Nc1nc(Nc2ccc(S(=O)(=O)N(C)C)cc2)ncc1Cl to decrease its MR value.,COCC(C)c1nc(Nc2ccc(S(=O)(=O)N(C)C)cc2)ncc1Cl
QED,Optimize the molecule C=CC(CCCCCCCCC)C(NC(=O)OC)c1ccc(Br)cc1 to have a higher QED value.,C=CC(CCCCCCCCC)C(NC(=O)OC)c1ccccc1
AtomNum,"There is a molecule with 8 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 boron atoms.",BCc1ccc(BC)c2nsnc12
BondNum,"The molecule contains 22 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(NC(=O)C2CCC[NH2+]C2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, 4 halo groups, and 1 sulfide group.",Fc1cc(NCc2cc(Cl)cs2)cc(F)c1F
AddComponent,Add a benzene ring to the molecule CCCN(CCC)C(=O)c1cccc(CSc2nc(Cl)cc(N3CCN(c4ccccc4Cl)CC3)n2)c1.,CCCN(CCC)C(=O)c1cccc(C(Sc2nc(Cl)cc(N3CCN(c4ccccc4Cl)CC3)n2)c2ccccc2)c1
SubComponent,Please substitute a halo in the molecule Cc1ccccc1C(O)CNC(=O)c1cccnc1C(F)(F)F with a carboxyl.,Cc1ccccc1C(O)CNC(=O)c1cccnc1C(F)(F)C(=O)[OH]
DelComponent,Remove a halo from the molecule O=C1CCCC2=C1C(c1ccccc1OC(F)F)n1ncnc1N2.,O=C1CCCC2=C1C(c1ccccc1OCF)n1ncnc1N2
LogP,Please modify the molecule COc1ccc(CNc2c(I)cnn(-c3ccccc3)c2=O)cc1 to decrease its LogP value.,COc1ccc(CNc2c(NO)cnn(-c3ccccc3)c2=O)cc1
MR,Modify the molecule Cc1cc(Nc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc3c(-c4cnn(C)c4)cnn23)ccc1OCO to decrease its MR value.,CN(OCO)c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3cnn(C)c3)cnn12
QED,Modify the molecule COc1ccc(NC(=[NH+]C(C)(C)C)SCc2ccccc2)cc1 to increase its QED value.,COc1ccc(NC(SCc2ccccc2)C(C)(C)C)cc1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",O=C(Nc1ccc2[nH]ccc2c1)c1c[nH]c2cccnc12
BondNum,"There is a molecule with 45 single bonds, 4 double bonds, and 37 rotatable bonds.",CCCCCCCCCCCC(=O)OCCCSCCC(=O)NCCOCCOCC([NH3+])(OC(=O)CCCCCCCCCCC)P(=O)([O-])[O-]
FunctionalGroup,"The molecule consists of 2 amine groups, 2 thioether groups, and 1 sulfide group.",CCCCCCCCCCCCC(NN)C1CSCCO1
AddComponent,Please add a benzene ring to the molecule COc1cc(Nc2nc(NCc3cc(F)cc(F)c3)n3ccnc3c2C(N)=O)cc(OC)c1.,COc1cc(Nc2nc(NCc3cc(F)cc(F)c3-c3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1
SubComponent,Substitute a halo in the molecule COC(=O)C(CCSC)NC(=O)c1ccc(C[NH+](Cc2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)o2)C(C)C)cc1-c1ccccc1C with a hydroxyl.,COC(=O)C(CCSC)NC(=O)c1ccc(C[NH+](Cc2cc(-c3ccc(O)cc3)c(-c3ccc(Cl)cc3)o2)C(C)C)cc1-c1ccccc1C
DelComponent,Please remove a [NH3+]C(c1ccccc1C(F)(F)F)c1cccc(F)c1Cl from the molecule benzene ring.,[NH3+]C(c1cccc(F)c1Cl)C(F)(F)F
LogP,Please modify the molecule CC(C)(C)c1ccc(C(=O)Nc2nnc(C3CC(=O)N(c4ccccc4)C3)o2)cc1 to decrease its LogP value.,CC(C)(C)C(=O)Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1
MR,Modify the molecule OC1CC[NH+](CC2CC(n3ccc4c(Cl)ncnc43)C2)CC1 to decrease its MR value.,OC1CC[NH+](CC2CC(n3ccc4cncnc43)C2)CC1
QED,Modify the molecule CCOc1nc(Cl)nc(N2CC[NH+](C3CC3)CC2)n1 to decrease its QED value.,CCOc1nc(O)nc(N2CC[NH+](C3CC3)CC2)n1
AtomNum,"The molecule has 30 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1-c1nc(-c2ccccc2)c(C(=O)[O-])s1
BondNum,"The molecule has 24 single bonds, 3 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccccc1C(=O)N1CCC2(CC1)OCC(C(=O)N1CCCC1)N2C(=O)c1cccc(F)c1
FunctionalGroup,"The molecule is composed of 3 amide groups, 1 thioether group, and 1 thiol group.",CC(C)CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)NC(=O)C(C)[NH3+])C(=O)[O-]
AddComponent,Please add a hydroxyl to the molecule CC1CCC(C)N(C(=O)N(CC(=O)[O-])C2CC2)C1.,CC1CCC(C)N(C(=O)N(C2CC2)C(O)C(=O)[O-])C1
SubComponent,Please substitute a halo in the molecule CCNc1nc(Cl)nc(NC(CC)CC)n1 with a aldehyde.,CC(=O)c1nc(NCC)nc(NC(CC)CC)n1
DelComponent,Please remove a amide from the molecule CC(C)C(NC(=O)C(CO)NC(=O)C([NH3+])C(C)O)C(=O)NC(C(=O)[O-])C(C)O.,CC(O)C([NH3+])C(=O)NC(CO)C(=O)N(C(C)C)C(C(=O)[O-])C(C)O
LogP,Modify the molecule CC(C)(C#N)CC[NH2+]CC1CC1 to decrease its LogP value.,CC(C)(CC[NH2+]CC1CC1)NO
MR,Modify the molecule CCCCCC(CCCc1ccccc1)O[SiH3] to have a higher MR value.,CCCCC(O)C(CCCc1ccccc1)O[SiH3]
QED,Please optimize the molecule Cc1cc2c(cc1S(=O)(=O)NC1CC([NH3+])C1)OCO2 to have a lower QED value.,Cc1cc2c(cc1S(=O)(=O)NC1CC([NH3+])C1O)OCO2
AtomNum,"Please generate a molecule with 16 carbon atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1cccc(C[NH+](C)CC(CS)C(C)(C)C)c1
BondNum,"There is a molecule composed of 7 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",O=C(C=Cc1ccc(COc2ccccc2)o1)c1cccc(Br)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 1 halo group.",Cc1ccc(F)cc1C(=O)Nc1cccc2ccccc12
AddComponent,Please add a carboxyl to the molecule CCC(CC)C(=O)Nc1nn(Cc2ccccc2F)cc1Cl.,CCC(C(=O)Nc1nn(Cc2ccccc2F)cc1Cl)C(C)C(=O)O
SubComponent,Substitute a Cc1c(C(=O)OC(C)C)sc2nc(Cl)nc(NC(C)C)c12 in the molecule halo with a hydroxyl.,Cc1c(C(=O)OC(C)C)sc2nc(O)nc(NC(C)C)c12
DelComponent,Modify the molecule CCC(C#N)Oc1ccc(S(N)(=O)=O)c(C)c1 by removing a nitrile.,CCCOc1ccc(S(N)(=O)=O)c(C)c1
LogP,Modify the molecule CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)CC1 to have a higher LogP value.,CCOC(=O)N1CCC(Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)C1
MR,Modify the molecule CC1CN(S(=O)(=O)c2ccc(C(=O)NC(C)c3cccc(C(F)(F)F)c3)cc2)CC(C)O1 to have a higher MR value.,CC1CN(S(=O)(=O)c2ccc(C(=O)NC(C)(C(=O)O)c3cccc(C(F)(F)F)c3)cc2)CC(C)O1
QED,Modify the molecule COc1ccc(OC)c2c(C)c3ccnc(Cl)c3cc12 to increase its QED value.,COc1ccc(OC)c2c(C)c3ccnc(NO)c3cc12
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, 3 sulfur atoms, and 1 bromine atom.",O=C(CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)Nc1ncc(Br)s1
BondNum,"The molecule consists of 9 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",[NH3+]Cc1cccc(Cl)c1OCC1CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 halo group.",CCCCCn1c(Cl)c(CCCC)n(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cn2)c1=O
AddComponent,Modify the molecule C[NH2+]C(c1cc2cc(Cl)ccc2o1)c1ncccc1C by adding a hydroxyl.,C[NH2+]C(c1cc2cc(Cl)cc(O)c2o1)c1ncccc1C
SubComponent,Modify the molecule CC(C)OCCC[NH2+]Cc1ccc(C#N)s1 by substituting a nitrile with a aldehyde.,CC(=O)c1ccc(C[NH2+]CCCOC(C)C)s1
DelComponent,Modify the molecule Fc1ccc(Oc2ccc(Cl)nc2)cc1 by removing a halo.,Fc1ccc(Oc2cccnc2)cc1
LogP,Please modify the molecule CC1C(C)(C#N)SC(N)=[NH+]C1(C)c1cc(N)ccc1F to decrease its LogP value.,CC1C(C)(C#N)SC(N)=[NH+]C1(C)c1cccc(N)c1
MR,Modify the molecule CCOc1sc2ccc(N)cc2c1[S-] to have a higher MR value.,CCOc1sc2ccc(N)c(O)c2c1[S-]
QED,Modify the molecule CCOc1cccc(C(C(=O)[O-])N(C=O)C(C)C)c1 to decrease its QED value.,CCOC(C(=O)[O-])N(C=O)C(C)C
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 1 nitrogen atom, 1 chlorine atom, and 1 bromine atom.",CCCc1cccc(C([NH3+])c2ccc(Cl)cc2Br)c1
BondNum,"Please generate a molecule with 16 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",COc1c(CC2([NH3+])CC2)cccc1OC1CCC[NH2+]C1
FunctionalGroup,"The molecule has 3 benzene ring groups, 1 amide group, and 2 halo groups.",COC(=O)Nc1ccc(-c2cnnc(C(Cc3ccc(F)cc3)NC(=O)C=Cc3cc(Cl)ccc3-n3cnnn3)c2)cc1
AddComponent,Please add a benzene ring to the molecule Clc1ccc(-n2nnnc2SCc2nnc(Cc3ccccc3)o2)cc1.,Clc1ccc(-n2nnnc2SCc2nnc(Cc3ccccc3)o2)c(-c2ccccc2)c1
SubComponent,Please substitute a CCCCOC(=O)C(C)=CO in the molecule hydroxyl with a halo.,CCCCOC(=O)C(C)=CF
DelComponent,Remove a amine from the molecule CCOC(c1nc(N)cc(C(C)C)n1)C(C)C.,CCOC(c1nccc(C(C)C)n1)C(C)C
LogP,Modify the molecule CCC(=O)NCCCCCCCC(=O)NCCCCCCOC1OC(C(=O)[O-])C(OC2OC(C)C(O)C(O)C2NC(C)=O)C(O)C1OS(=O)[O-] to increase its LogP value.,CCC(=O)NCCCCCCCC(=O)NCCCCCCOC1OC(C(=O)[O-])C(OC2OC(C)C(S)C(O)C2NC(C)=O)C(O)C1OS(=O)[O-]
MR,Modify the molecule CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C to increase its MR value.,CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(O)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C
QED,Modify the molecule Cc1cc(Cl)ccc1NC(=O)CCS(=O)(=O)N1CCc2ccccc21 to have a lower QED value.,Cc1cc(Cl)ccc1NC(=O)C(N)CS(=O)(=O)N1CCc2ccccc21
AtomNum,"Please generate a molecule with 13 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COC(=O)c1ccc(CN2C(=O)CCCC2=O)nc1
BondNum,"There is a molecule consisting of 10 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1cc(F)c(Br)cc1NC(C)c1ccc(Cl)c(Cl)c1Cl
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 2 amine groups.",COCCNC(=O)CCNc1ccccc1N
AddComponent,Modify the molecule Cc1csc2c(-n3nc(Nc4ccc(N5CC[NH+](C6CC7CCC6C7)CC5)c(F)c4)nc3N)ncnc12 by adding a benzene ring.,Cc1c(-c2ccccc2)sc2c(-n3nc(Nc4ccc(N5CC[NH+](C6CC7CCC6C7)CC5)c(F)c4)nc3N)ncnc12
SubComponent,Modify the molecule halo by substituting a Cc1ccc(C(COC(C)C)NN)c(Br)c1 with a carboxyl.,Cc1ccc(C(COC(C)C)NN)c(C(=O)[OH])c1
DelComponent,Remove a benzene ring from the molecule CCC(C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(C(C)[NH+](CC)C3CCCCC3)cc1)C2c1ccc(Cl)cc1.,CCC(C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(C(C)[NH+](CC)C3CCCCC3)cc1)C2Cl
LogP,Please optimize the molecule O=C([O-])C1(c2cc3c(cc2Cl)OC2(CCC2)O3)CCC1 to have a lower LogP value.,N#Cc1cc2c(cc1C1(C(=O)[O-])CCC1)OC1(CCC1)O2
MR,Please optimize the molecule Cc1cc(OC(=O)CCNC(=O)c2ccco2)cc(C(C)C)c1 to have a lower MR value.,CC(C)(C)OC(=O)CCNC(=O)c1ccco1
QED,Please optimize the molecule COc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1 to have a higher QED value.,COc1ccc(OC)c(S(=O)(=O)N2CCCC2c2cccc(C(F)(F)F)c2)c1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",COc1cc2nc(C#N)ccc2cc1C(C)(C)C
BondNum,"There is a molecule consisting of 16 single bonds, 4 double bonds, and 1 rotatable bond.",CC(=O)OC(=O)C1CCCC2C(=O)OC(=O)C2CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 amine group.",Cc1ccc(CC(=O)NCC(C)(C)C(N)=S)cc1C
AddComponent,Please add a hydroxyl to the molecule Brc1ccc(-c2csc(NN=Cc3c[nH]c4ccccc34)n2)cc1.,Oc1ccc2c(C=NNc3nc(-c4ccc(Br)cc4)cs3)c[nH]c2c1
SubComponent,Modify the molecule O=C(NC[NH+]1CC(=CCl)CC1c1nc2ccccc2[nH]1)c1ccccc1 by substituting a halo with a nitro.,ONC=C1CC(c2nc3ccccc3[nH]2)[NH+](CNC(=O)c2ccccc2)C1
DelComponent,Remove a amide from the molecule C=C(C)c1cccc(NC(=O)Cc2ccccc2)c1Cl.,C=C(C)c1cccc(-c2ccccc2)c1Cl
LogP,Please modify the molecule O=C(NCC1CCSC1)c1ccc(O)cc1F to decrease its LogP value.,O=C(NCC1CCSC1)c1ccc(O)cc1O
MR,Please modify the molecule CC(=O)NCCNS(=O)(=O)c1cc(C)c(C)cc1N to decrease its MR value.,CC(=O)NCCNS(=O)(=O)CCN
QED,Modify the molecule Cc1ccc(F)cc1CN(CCBr)CC(F)(F)F to decrease its QED value.,Cc1ccc(F)c(-c2ccccc2)c1CN(CCBr)CC(F)(F)F
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",CCNC(=[NH+]CCCCn1c(C)cccc1=O)N1CC(C)OC(c2ccc(F)cc2)C1
BondNum,"There is a molecule composed of 12 single bonds, 3 double bonds, and 3 rotatable bonds.",CC(C)([NH3+])CNC(=O)C1CCS(=O)(=O)C1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, 1 ester group, and 1 nitrile group.",CCCOC(=O)CCC(O)c1ccc(OC)c(C#N)c1
AddComponent,Modify the molecule Fc1cccnc1NCc1cccc(Br)c1 by adding a benzene ring.,Fc1cc(-c2ccccc2)cnc1NCc1cccc(Br)c1
SubComponent,Please substitute a halo in the molecule CNc1cc(F)cc2c1[nH]c1nc(Oc3nnc(C)s3)nc(N3CC4CC3CC4[NH3+])c12 with a nitrile.,CNc1cc(C#N)cc2c1[nH]c1nc(Oc3nnc(C)s3)nc(N3CC4CC3CC4[NH3+])c12
DelComponent,Modify the molecule halo by removing a CCOC(=O)c1ccc(CCc2ccc(NC(=O)c3c(NC(=O)c4cccc(C[NH+](C5CCC(C(=O)CCCI)CC5)C5CC5)c4)sc4c3CCCC4)cc2)cc1.,CCCC(=O)C1CCC([NH+](Cc2cccc(C(=O)Nc3sc4c(c3C(=O)Nc3ccc(CCc5ccc(C(=O)OCC)cc5)cc3)CCCC4)c2)C2CC2)CC1
LogP,Please modify the molecule Cc1cc(CNC(=O)NC2CCCC2(C)C(=O)[O-])on1 to decrease its LogP value.,CC1(C(=O)[O-])CCCC1NC(=O)NCc1cc(CN)no1
MR,Please optimize the molecule CN(C)c1cccc(C(=O)N2CCCCC2c2ccc(C[NH+](C)C)cc2)c1 to have a higher MR value.,CN(C)c1cccc(C(=O)N2CCCCC2(N)c2ccc(C[NH+](C)C)cc2)c1
QED,Modify the molecule O=C1CCCc2[nH]c(=O)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc21 to have a lower QED value.,O=C([OH])c1ccc(N2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4=O)CC2)cc1
AtomNum,"There is a molecule composed of 16 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, and 1 phosphorus atom.",CCC(CC)(C1C(=O)N(CC2CO2)C(=O)N1CC1CO1)C(C)P(=O)([O-])[O-]
BondNum,"There is a molecule composed of 60 single bonds, 4 double bonds, and 17 rotatable bonds.",CCC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)[O-])C(=O)OC1(C)C2CC3CC(C2)CC1C3)C(=O)OC1CC2CCC1(C)C2(C)C)C(=O)OCOCC1C2CCC(C2)C1C
FunctionalGroup,The molecule is composed of and 4 amide groups.,NC(=O)CC([NH3+])C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)[O-]
AddComponent,Please add a benzene ring to the molecule Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCCC(=O)Nc1ccc(Cl)cc1.,Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(CCC(=O)Nc1ccc(Cl)cc1)c1ccccc1
SubComponent,Modify the molecule thiol by substituting a Cc1nc2ccccc2n1SS with a halo.,Cc1nc2ccccc2n1SF
DelComponent,Remove a halo from the molecule CCS(=O)(=O)N1CC2CN(c3ncccc3Cl)CC2(C(=O)[O-])C1.,CCS(=O)(=O)N1CC2CN(c3ccccn3)CC2(C(=O)[O-])C1
LogP,Modify the molecule CC(C)(O)CCCCCCC(Cl)(Cl)Cl to have a lower LogP value.,CC(C)(O)CCCCCCC(Cl)(Cl)C(=O)[OH]
MR,Optimize the molecule COCC(CO)[NH2+]C1CCCc2cccnc21 to have a lower MR value.,COCC(C)[NH2+]C1CCCc2cccnc21
QED,Please optimize the molecule COc1cc([N+](=O)[O-])ccc1Oc1cc(C)nc(Cl)n1 to have a lower QED value.,Cc1cc(Oc2ccc([N+](=O)[O-])cc2OCc2ccccc2)nc(Cl)n1
AtomNum,"Please generate a molecule with 18 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C
BondNum,"The molecule has 19 single bonds, 1 double bond, 5 rotatable bonds, and 23 aromatic bonds.",Cc1cccc(-n2cnc3c2C(=O)CC(c2ccc(-c4ccccc4C[NH+]4CCC(O)CC4)cc2)[NH2+]C3)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 5 halo groups.",FC(F)Oc1cc(I)c(Br)cc1Br
AddComponent,Add a benzene ring to the molecule COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)C3CC3)no2)cc1OC.,COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)C3CC3)no2)c(-c2ccccc2)c1OC
SubComponent,Modify the molecule hydroxyl by substituting a O=S(=O)(Nc1cc(-c2ccc3[nH+]cc(C#CC4(O)CCOC4)n3n2)cnc1Cl)c1ccc(F)cc1 with a halo.,O=S(=O)(Nc1cc(-c2ccc3[nH+]cc(C#CC4(Cl)CCOC4)n3n2)cnc1Cl)c1ccc(F)cc1
DelComponent,Modify the molecule COc1cc(C=C2SC(N3CC[NH+](C)CC3)=[NH+]C2=O)ccc1-c1ccc(C)cc1 by removing a amide.,COc1cc(C2SC2N2CC[NH+](C)CC2)ccc1-c1ccc(C)cc1
LogP,Please modify the molecule CC(NC(=O)C(F)F)c1ncn(C)n1 to increase its LogP value.,Cn1cnc(C(C)(NC(=O)C(F)F)c2ccccc2)n1
MR,Modify the molecule COc1ccc(C(=O)C2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)cc1F to have a higher MR value.,COc1ccc(C(=O)C2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)cc1NO
QED,Please optimize the molecule O=C1c2cccc(N3CC[NH+](Cc4cccc5cccnc45)CC3)c2C(=O)N1Cc1cccc(C(F)(F)F)c1 to have a lower QED value.,O=C1c2cccc(N3CC[NH+](Cc4cccc5cccnc45)C(c4ccccc4)C3)c2C(=O)N1Cc1cccc(C(F)(F)F)c1
AtomNum,"The molecule consists of 20 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1ccccc1-n1cc(C(=O)N2CCCC([NH+](C)CC(=O)[O-])CC2)cn1
BondNum,"Please generate a molecule with 9 single bonds, 9 rotatable bonds, and 75 aromatic bonds.",c1ccc(-c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7c8ccccc8c(-c8ccc(-c9ccc%10ccccc%10c9)cc8)c8ccccc78)c6)c5)c4)cc3)cc2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amide groups, 1 thioether group, 1 nitrile group, and 2 sulfide groups.",CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2
AddComponent,Please add a aldehyde to the molecule COc1ccc(C(=O)Oc2ccc(C=C3SC(=O)N(CC(=O)OCC(C)C)C3=O)cc2)cc1.,COc1ccc(C(=O)Oc2ccc(C=C3SC(=O)N(CC(=O)OC(CC=O)C(C)C)C3=O)cc2)cc1
SubComponent,Modify the molecule halo by substituting a Cc1onc(-c2c(F)cccc2Cl)c1C(N)=[NH+]OC(=O)c1ccco1 with a nitrile.,Cc1onc(-c2c(Cl)cccc2C#N)c1C(N)=[NH+]OC(=O)c1ccco1
DelComponent,Remove a Cc1ccc(C(C)(C)C)c(Oc2cccc(F)n2)c1 from the molecule halo.,Cc1ccc(C(C)(C)C)c(Oc2ccccn2)c1
LogP,Please modify the molecule CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(OCc5ccc(Br)cc5)cc4)c3C)c(=O)n2C1c1ccccc1Cl to decrease its LogP value.,CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(OCc5ccc(O)cc5)cc4)c3C)c(=O)n2C1c1ccccc1Cl
MR,Please modify the molecule O=C([O-])c1cc(CNC(=O)N2CCOCC2)c2ccc(Cc3cccc(Cl)c3F)cn2c1=O to increase its MR value.,O=C([O-])c1cc(CNC(=O)N2CCOCC2)c2ccc(Cc3cccc(Cl)c3)cn2c1=O
QED,Optimize the molecule CN(CCc1ccccn1)C(=O)C=Cc1cn(C)c2ccccc12 to have a lower QED value.,CN(CCc1ccc(-c2ccccc2)cn1)C(=O)C=Cc1cn(C)c2ccccc12
AtomNum,"There is a molecule composed of 10 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCC(C)(OC)C(=O)NCc1ncc[nH]1
BondNum,"The molecule has 11 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",Cc1ccc2sc(C(=O)NCC(C)(C)C(C)C)c(N)c2c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",CC[NH2+]CC1CCN(C(=O)c2ccc(-n3cc(C)cn3)cc2)CC1
AddComponent,Modify the molecule CCOC(c1noc(C2[NH2+]CCC2C)n1)C(C)C by adding a benzene ring.,CCOC(c1ccccc1)(c1noc(C2[NH2+]CCC2C)n1)C(C)C
SubComponent,Please substitute a Cc1oc(C(=O)[O-])cc1C[NH2+]CC(C)(O)CO in the molecule hydroxyl with a halo.,Cc1oc(C(=O)[O-])cc1C[NH2+]CC(C)(I)CO
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(C[NH2+]C(CCO)c2ccccc2)c1.,CC[NH2+]C(CCO)c1ccccc1
LogP,Please optimize the molecule CC(C)(O)C([NH3+])C1=CCC=C1 to have a higher LogP value.,CC(C)(O)C([NH3+])C1=CCC=C1c1ccccc1
MR,Please optimize the molecule SCCCCCCCCCCc1ccsc1 to have a lower MR value.,ClCCCCCCCCCCc1ccsc1
QED,Please optimize the molecule CC(C)(C[NH3+])c1nccc(-c2ccccc2)n1 to have a lower QED value.,CC(C)(C[NH3+])c1nc(CC=O)cc(-c2ccccc2)n1
AtomNum,"There is a molecule consisting of 42 carbon atoms, 6 oxygen atoms, and 10 nitrogen atoms.",COC(=O)NC(C(=O)N1CCCC1c1[nH]c(-c2ccc3cc(-c4ccc(-c5c[nH+]c(C6CCCN6C(=O)C(C(C)C)N(C)C(=O)[O-])[nH]5)cn4)ncc3c2)c[nH+]1)C(C)C
BondNum,"The molecule is composed of 11 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",Clc1ccc(OCCSc2nncn2C2CC2)c(Br)c1
FunctionalGroup,"Please generate a molecule consisting 2 hydroxyl groups, 2 thioether groups, and 2 sulfide groups.",CC1(C=NO)CSC(=NO)S1
AddComponent,Add a nitrile to the molecule Cc1cccc(-c2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)c(=O)[nH]2)c1.,Cc1cccc(-c2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccc(F)cc4C#N)CC3)c(=O)[nH]2)c1
SubComponent,Please substitute a halo in the molecule CCOCCCC(CNC(=O)OC(C)(C)C)(C(=O)[O-])c1ccccc1F with a nitrile.,CCOCCCC(CNC(=O)OC(C)(C)C)(C(=O)[O-])c1ccccc1C#N
DelComponent,Please remove a CCc1ccc(C([NH3+])Cc2ccc(I)cc2)o1 from the molecule benzene ring.,CCc1ccc(C([NH3+])CI)o1
LogP,Modify the molecule Cc1cc2c(cc1CNC(=O)C(O)C[NH3+])OCO2 to have a higher LogP value.,Cc1cc2c(cc1CC([NH3+])O)OCO2
MR,Optimize the molecule CC(C#N)C(=O)NCc1cccnn1 to have a higher MR value.,CC(=O)C(C)C(=O)NCc1cccnn1
QED,Modify the molecule O=C([O-])CC(O)C[NH2+]CC1(O)CCOC1 to increase its QED value.,CC(=O)C(C[NH2+]CC1(O)CCOC1)CC(=O)[O-]
AtomNum,"There is a molecule composed of 25 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1cc(C=C(C#N)C(=O)NC2CCCCC2)ccc1OCc1ccccc1C
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, 1 triple bond, 4 rotatable bonds, and 5 aromatic bonds.",CCOC(=O)C=C(C)Nc1sc2c(c1C#N)CCC2
FunctionalGroup,The molecule has and 1 benzene ring group.,O=C([O-])c1cc(COCC=Cc2ccccc2)ccn1
AddComponent,Modify the molecule COc1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(OC)c1Br by adding a aldehyde.,COc1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(CC=O)c(OC)c1Br
SubComponent,Substitute a hydroxyl in the molecule CCN(CC)C(=O)C(C)[NH+]1CC(C)OC(CO)C1 with a nitro.,CCN(CC)C(=O)C(C)[NH+]1CC(C)OC(CNO)C1
DelComponent,Modify the molecule Cn1nc2c(CC(=O)[O-])cccc2c1Br by removing a halo.,Cn1cc2cccc(CC(=O)[O-])c2n1
LogP,Please modify the molecule Cc1ccc2[nH]nc(C(=O)NCCc3ccc(CO)cc3)c2c1 to increase its LogP value.,Cc1ccc(CCNC(=O)c2n[nH]c3ccc(C)cc23)cc1
MR,Please optimize the molecule CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(OC)cc1 to have a higher MR value.,CCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(OC)c(N)c1
QED,Please modify the molecule CCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)CC1 to decrease its QED value.,CC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)CC)CC2)cc2c1OCO2
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",O=C(C1CCNc2ccccc21)N(CCO)CC(F)(F)F
BondNum,"There is a molecule with 41 single bonds, 2 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CC(=O)N1CC[NH+]2CC(CO[Si](C)(C)C(C)(C)C)N(c3cc(-c4ccc(F)cc4C)c(N(C)C(=O)C(C)(C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cn3)CC2C1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 hydroxyl group, 2 amide groups, and 1 amine group.",C=CC(=O)Nc1cccc(C(=O)Nc2cccc(C(C)Nc3cncc(-c4ccc(O)c(OC)c4)n3)c2)c1
AddComponent,Add a hydroxyl to the molecule CC1=CCCN(C(=O)N(CC(=O)[O-])C(C)C)C1.,CC1=CCCN(C(=O)N(CC(=O)[O-])C(C)CO)C1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(Br)cc1NC(=O)c1ccc(Cl)o1 with a carboxyl.,Cc1ccc(C(=O)[OH])cc1NC(=O)c1ccc(Cl)o1
DelComponent,Remove a hydroxyl from the molecule CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C(=O)OC)c2)C1c1cn(C)c2ccc(OC)cc12.,CCOc1c(OC)cccc1C1=CC(=O)N(c2cccc(C(=O)OC)c2)C1c1cn(C)c2ccc(OC)cc12
LogP,Please modify the molecule ClC(Cl)Oc1cccc2ccccc12 to decrease its LogP value.,ClCOc1cccc2ccccc12
MR,Modify the molecule Cc1ccc(C(CCC2CC2)NN)cc1C to decrease its MR value.,CC(C)(CCC1CC1)NN
QED,Modify the molecule CC(C)S(=O)(=O)c1ccc(Oc2ccc(F)cc2F)c(Br)c1 to have a lower QED value.,CC(C)S(=O)(=O)c1ccc(Oc2ccc(F)cc2F)c(Br)c1-c1ccccc1
AtomNum,"The molecule is composed of 12 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",N#CC(c1cc(Br)cs1)N1CCCCCC1
BondNum,"The molecule has 8 single bonds, 1 double bond, 1 triple bond, and 6 aromatic bonds.",N#Cc1c2c(c(=S)n(N)c1N)CCCC2
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 hydroxyl group.",COc1cccc(CC[NH2+]C(C)(C)CO)c1
AddComponent,Modify the molecule O=C(CC1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)N1CCCC1 by adding a amine.,NC1CCCN1C(=O)CC1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21
SubComponent,Substitute a halo in the molecule Fc1cccc(Cl)c1COc1ccc(Cl)cc1C[NH2+]C1CCCCCCC1 with a carboxyl.,O=C([OH])c1cccc(Cl)c1COc1ccc(Cl)cc1C[NH2+]C1CCCCCCC1
DelComponent,Remove a amine from the molecule CC1CNc2ccccc2N1CC1CCC1.,CC1Cc2ccccc2N1CC1CCC1
LogP,Modify the molecule COc1cccc(C(=O)NCCNC(=O)C(C)C)c1OC(F)F to increase its LogP value.,COc1cccc(C(=O)NCC(NC(=O)C(C)C)c2ccccc2)c1OC(F)F
MR,Please modify the molecule CC(C)c1ccc(C=O)c(O)c1O to increase its MR value.,CC(C)c1ccc(C=O)c(C(=O)[OH])c1O
QED,Modify the molecule Cn1cnc(C(O)c2cncc3ccccc23)c1 to have a lower QED value.,Cn1cnc(C(NO)c2cncc3ccccc23)c1
AtomNum,"There is a molecule with 19 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1cc(C(=O)N(Cc2ccccc2)CC2(C)CCOCC2)n[nH]1
BondNum,"The molecule contains 23 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CNc1nc(C2CCCN2C(C)=O)nc2c1CC[NH+](Cc1ccc(N3CCCC3=O)cc1)C2
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amine group, 2 halo groups, and 1 sulfone group.",CC(NCC[n+]1ccccc1)c1ccc(N=Nc2c(Cl)cc(S(=O)(=O)N(C)C)cc2Cl)cc1
AddComponent,Add a aldehyde to the molecule O=C(NCC1CCCC1CCl)c1ccc(O)c(O)c1.,O=CCC1(CCl)CCCC1CNC(=O)c1ccc(O)c(O)c1
SubComponent,Modify the molecule Cc1ccc(NC(=O)C2CCC[NH+](Cc3cccc(Br)c3)C2)cc1 by substituting a halo with a thiol.,Cc1ccc(NC(=O)C2CCC[NH+](Cc3cccc(S)c3)C2)cc1
DelComponent,Please remove a benzene ring from the molecule C[NH2+]Cc1sc(N(C)c2ccccc2OC)nc1C(C)C.,C[NH2+]Cc1sc(N(C)OC)nc1C(C)C
LogP,Please modify the molecule [NH3+]CCNc1ccc(OCc2ccc(C(=O)[O-])o2)cc1 to decrease its LogP value.,[NH3+]CCNOCc1ccc(C(=O)[O-])o1
MR,Please modify the molecule Cc1ccc(OCCNC(=O)CCCCl)cc1C to decrease its MR value.,CCOCCNC(=O)CCCCl
QED,Modify the molecule CCCCOCCN1CC(C)(C2CC2)[NH2+]CC12CCCC2 to have a lower QED value.,CCCCOCCN1CC(C)(C2(c3ccccc3)CC2)[NH2+]CC12CCCC2
AtomNum,"Please generate a molecule consisting 6 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, and 1 iodine atom.",O=S=Nc1ccc(I)cc1
BondNum,"Please generate a molecule composed of 14 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(C(=O)NC1CCc2c(F)cccc21)C1C[NH2+]C1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 1 hydroxyl group, 2 amine groups, 1 sulfide group, 1 sulfoxide group, and 3 sulfone groups.",COc1cc(S(=O)(=O)CCOS(=O)(=O)[O-])c(C)cc1N=Nc1c(N)cc(C(=O)[O-])c(N=Nc2ccc(SOOCCS(=O)OOO)cc2S(=O)(=O)[O-])c1N
AddComponent,Modify the molecule COc1ccc(NCCC2CC[NH2+]CC2)cc1 by adding a amine.,COc1ccc(NCC(N)C2CC[NH2+]CC2)cc1
SubComponent,Substitute a halo in the molecule COc1cc2nccc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CC(C)[NH+]1CCOCC1 with a aldehyde.,CC(=O)c1ccc(Nc2ccnc3cc(OC)c(NC(=O)C=CC(C)[NH+]4CCOCC4)cc23)cc1Cl
DelComponent,Remove a halo from the molecule COc1ccc(Br)c(-c2cc(C(=O)[O-])on2)c1OCC1CC1.,COc1cccc(-c2cc(C(=O)[O-])on2)c1OCC1CC1
LogP,Please modify the molecule COc1ccc(NC(=O)C(C#N)=Cc2cccc(C#N)c2)cc1 to decrease its LogP value.,COc1ccc(NC(=O)C(O)=Cc2cccc(C#N)c2)cc1
MR,Please modify the molecule Cc1cc(Br)c(NCc2cc(Cl)ccc2O)c(Br)c1 to decrease its MR value.,Cc1cc(Br)c(NCc2cc(Cl)ccc2O)c(C#N)c1
QED,Modify the molecule Cc1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)c(O)c1 to increase its QED value.,Cc1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)c(Cl)c1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",COCCCn1c(=C(C#N)C#N)sc(=Cc2ccc(SC)cc2)c1=O
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",O=C([O-])CCCCCN1C(=O)Cc2cc(I)ccc21
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, 1 amide group, and 1 halo group.",Cc1cccc2c1C1C(CCl)CN(C(=O)c3cc4cc(OCC[NH+](C)C)ccc4[nH]3)C1CC2O
AddComponent,Modify the molecule COC1(C)OC2CN(c3ccccc3)C=[N+](c3ccccc3)CC2OC1(C)OC by adding a amine.,COC1(C)OC2CN(c3ccccc3)C=[N+](c3ccccc3)CC2OC1(CN)OC
SubComponent,Substitute a FC(F)(F)c1ccc(C=Cc2ncc(C(F)(F)F)c3cc4c(cc23)OCO4)cc1 in the molecule halo with a nitro.,ONC(F)(F)c1ccc(C=Cc2ncc(C(F)(F)F)c3cc4c(cc23)OCO4)cc1
DelComponent,Modify the molecule benzene ring by removing a Cc1cc(C(F)(F)F)ccc1-c1ccc(NC(=O)C(c2ccc(OCC(C)(C)C)cc2)C(C)c2ccc(C(=O)NCCS(=O)(=O)[O-])cc2)cc1.,Cc1cc(C(F)(F)F)ccc1-c1ccc(NC(=O)C(c2ccc(OCC(C)(C)C)cc2)C(C)C(=O)NCCS(=O)(=O)[O-])cc1
LogP,Please optimize the molecule FC1OCCCC1NCc1[nH+]cc2n1CCCC2 to have a higher LogP value.,FC1OCCCC1Cc1[nH+]cc2n1CCCC2
MR,Modify the molecule CCOC(=O)c1c(C2CC2)csc1NC(=O)C[NH2+]C(C)(C)c1ccc2c(c1)OCO2 to have a lower MR value.,CCOC(=O)c1c(C2CC2)csc1[NH2+]C(C)(C)c1ccc2c(c1)OCO2
QED,Modify the molecule C=C(C1CCCC1)[NH+]1CCN(Cc2cc(F)cc(NC(=O)c3ccc(C)nc3C)c2C)CC1 to have a higher QED value.,C=C(C1CCCC1)[NH+]1CCN(C(CF)NC(=O)c2ccc(C)nc2C)CC1
AtomNum,"Please generate a molecule with 11 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",Cc1cc(C)c(S(=O)(=O)NCCS(=O)(=O)[O-])c(C)c1
BondNum,"Please generate a molecule composed of 11 single bonds, and 6 rotatable bonds.",CCC[NH2+]CCC[NH2+]C(C)(C)C
FunctionalGroup,Please generate a molecule consisting and 1 amine group.,Nc1ccc2oc(C=CC(=O)[O-])nc2c1
AddComponent,Modify the molecule CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1c(F)cccc1Cl by adding a amine.,CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OCN)c3)C2)C1c1c(F)cccc1Cl
SubComponent,Modify the molecule CCC[NH+](CCO)CC(=O)Nc1ccc(C)c(Cl)c1 by substituting a hydroxyl with a halo.,CCC[NH+](CCF)CC(=O)Nc1ccc(C)c(Cl)c1
DelComponent,Remove a amide from the molecule CC(C)C(C(=O)NCc1cc(F)ccc1F)n1cc(COc2ccc3nc(S(N)(=O)=O)sc3c2)nn1.,CC(C)(Cc1cc(F)ccc1F)n1cc(COc2ccc3nc(S(N)(=O)=O)sc3c2)nn1
LogP,Please optimize the molecule O=S(=O)(c1ccccc1)c1c(F)c(F)nc2c1Oc1ccccc1N2 to have a lower LogP value.,O=C([OH])c1c(F)nc2c(c1S(=O)(=O)c1ccccc1)Oc1ccccc1N2
MR,Optimize the molecule CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC to have a higher MR value.,CCCCCC=CCC=CCC(CCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)c1ccccc1
QED,Please optimize the molecule Cc1cc(Cl)ccc1OC(C)C(=O)N1CC[NH+](C)CC1 to have a lower QED value.,Cc1cc(Cl)cc(-c2ccccc2)c1OC(C)C(=O)N1CC[NH+](C)CC1
AtomNum,"Please generate a molecule with 24 carbon atoms, 7 oxygen atoms, and 2 nitrogen atoms.",CCCC(Oc1ccccc1)C(C)OC(=O)C(C)NC(=O)c1nccc(OC)c1OC(C)=O
BondNum,"The molecule is composed of 9 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",C[NH2+]C(C)c1ccc(Sc2nc(C)cc(C)n2)cc1Br
FunctionalGroup,"There is a molecule with 1 benzene ring group, 3 amide groups, 2 thioether groups, and 1 sulfide group.",CCC(=O)N1CSCC1C(=O)Nc1cccc(C(=O)N2CCCC2)c1
AddComponent,Please add a hydroxyl to the molecule C=CCC(CC)n1cc(-c2ccc3c(c2)N(C(=O)C2CC2)CC(C)N3C(C)=O)cn1.,C=CCC(O)(CC)n1cc(-c2ccc3c(c2)N(C(=O)C2CC2)CC(C)N3C(C)=O)cn1
SubComponent,Please substitute a halo in the molecule Cc1nc(C[NH+](C)Cc2cccc(-c3cccc(F)c3)c2)nc2c1CCC(=O)N2CC1CC1 with a nitrile.,Cc1nc(C[NH+](C)Cc2cccc(-c3cccc(C#N)c3)c2)nc2c1CCC(=O)N2CC1CC1
DelComponent,Modify the molecule halo by removing a CCn1nc(C)c(Cl)c1CC(=O)c1ccc(F)cc1F.,CCn1nc(C)c(Cl)c1CC(=O)c1ccc(F)cc1
LogP,Modify the molecule c1ccc(CC2CC[NH+](CCC3CC[NH2+]C3)CC2)cc1 to have a lower LogP value.,OC1(CC[NH+]2CCC(Cc3ccccc3)CC2)CC[NH2+]C1
MR,Please optimize the molecule Cc1ccc(NC(=O)CC(=O)N2CCCC2)c(Br)c1 to have a lower MR value.,Cc1ccc(NC(=O)CC(=O)N2CCCC2)c(NO)c1
QED,Optimize the molecule Cc1ccc(OC(=C(F)c2ccc(F)cc2)C(C(=O)OCc2ccccc2)C(C)C)cc1 to have a higher QED value.,Cc1ccc(OC(=C(O)c2ccc(F)cc2)C(C(=O)OCc2ccccc2)C(C)C)cc1
AtomNum,"There is a molecule consisting of 27 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CS(=O)(=O)NCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)c1
BondNum,"The molecule contains 12 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C)c(OC)c1Cc1ccc(OC(F)F)c(Cl)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amide groups, 1 amine group, 2 nitrile groups, and 1 sulfide group.",CCn1c(=C(C#N)C(=O)NCC#N)sc(=CNc2cccc(NC(=O)C[NH+](C)CC)c2)c1=O
AddComponent,Modify the molecule COc1cccc2c1OC1C3CCC4(CC3)C[NH+](Cc3ccccc3)CCC214 by adding a hydroxyl.,COc1cccc2c1OC1C3CCC4(CC3)C[NH+](Cc3ccccc3O)CCC214
SubComponent,Substitute a nitrile in the molecule Cc1nc(CNc2nccc(C#N)n2)cs1 with a nitro.,Cc1nc(CNc2nccc(NO)n2)cs1
DelComponent,Modify the molecule amide by removing a COCCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cn1.,COCCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cn1
LogP,Please optimize the molecule O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(Br)cn1 to have a lower LogP value.,O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(Br)cn1
MR,Modify the molecule CN(Cc1cc(Cl)ccc1N)C1CCS(=O)(=O)C1 to increase its MR value.,CN(Cc1cc(S)ccc1N)C1CCS(=O)(=O)C1
QED,Modify the molecule C#Cc1cccc(NCc2cc(C(N)=O)ccc2F)c1 to have a lower QED value.,C#Cc1cccc(NCc2cc(C(N)=O)ccc2F)c1-c1ccccc1
AtomNum,"The molecule is composed of 15 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1nc(C)c(C(C)[NH2+]CCN(C)C(=O)OC(C)(C)C)s1
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CCNc1ccc(C(=O)Nc2cccc(Cl)c2Br)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfide group.",O=C([O-])CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S
AddComponent,Please add a hydroxyl to the molecule CP(C)(=O)c1ccc(Cc2cc(C3OC(CO)C(O)C(O)C3O)ccc2Cl)cc1.,CP(C)(=O)c1ccc(Cc2cc(C3OC(C(O)O)C(O)C(O)C3O)ccc2Cl)cc1
SubComponent,Substitute a halo in the molecule CCOC(C)OC(C)COc1c(N)ccc(F)c1F with a nitro.,CCOC(C)OC(C)COc1c(N)ccc(NO)c1F
DelComponent,Modify the molecule amine by removing a CCONC=[NH+]C(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1OC(F)F.,CCOC=[NH+]C(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1OC(F)F
LogP,Please optimize the molecule O=C(Nc1ccc(-c2ccccc2)cc1)n1oc(=O)cc1-c1ccccc1 to have a lower LogP value.,O=CCc1ccc(-c2cc(=O)on2C(=O)Nc2ccc(-c3ccccc3)cc2)cc1
MR,Please optimize the molecule COC(=O)c1cc(OCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(C(=O)OC)c1 to have a higher MR value.,COC(=O)c1cc(OCC(=O)N2CC[NH+](Cc3ccc(S)cc3)CC2)cc(C(=O)OC)c1
QED,Please optimize the molecule C[NH+]=C(NCc1ccc(Br)cc1)N1CCN(c2cnn(C)c2)C(=O)C1 to have a lower QED value.,C[NH+]=C(NCBr)N1CCN(c2cnn(C)c2)C(=O)C1
AtomNum,"The molecule consists of 34 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1
BondNum,"There is a molecule with 14 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CCCOc1ccc(C(=O)C(C)[NH2+]C2CCCC2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 ketone group.",CCc1c(C)[n+](CC(=O)c2ccccc2)c2n(c1=O)C1C=CC=CC1=N2
AddComponent,Modify the molecule COc1ccc(CN(CC2=CCC(O)C=C2)c2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 by adding a benzene ring.,COc1ccc(CN(CC2=CCC(O)C=C2)c2nc(-c3ccccc3)c(C(=O)c3ccc(-c4ccccc4)cc3)s2)cc1
SubComponent,Substitute a nitrile in the molecule COc1cccc(C(=O)Nc2nn(C)cc2C#N)c1OC with a carboxyl.,COc1cccc(C(=O)Nc2nn(C)cc2C(=O)[OH])c1OC
DelComponent,Please remove a hydroxyl from the molecule NC(N)=[NH+]CCCC([NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-].,NC(N)=[NH+]CCCC([NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]
LogP,Optimize the molecule CSc1cc2c(cc1NC(=O)CCc1nc(-c3ccc(F)c(C)c3)no1)OCCO2 to have a lower LogP value.,CSc1cc2c(cc1NC(=O)CCc1nc(CF)no1)OCCO2
MR,Modify the molecule CC(C)(C)[NH2+]Cc1noc(C(CCCC2CCCCC2)CC(=O)NO)n1 to have a lower MR value.,CC(C)(C)[NH2+]Cc1noc(C(CCCC2CCCCC2)CC(N)=O)n1
QED,Please optimize the molecule CCCCCCCCCCCCCCCCCC(=O)CCCCOCCOCCOCCOCCOCCOC(=O)Cl to have a lower QED value.,CCCCCCCCCCCCCCCCCC(=O)CCCCOCCOCCOCCOCCOCCOC(=O)NO
AtomNum,"The molecule consists of 12 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCNc1ccccc1N1CCCC1=O
BondNum,"There is a molecule with 16 single bonds, 2 double bonds, 2 rotatable bonds, and 5 aromatic bonds.",Cn1cc(Cl)c(CN2C(=O)NC3(CCCCCC3)C2=O)n1
FunctionalGroup,"There is a molecule with 1 ketone group, 1 ester group, 1 amide group, and 2 sulfide groups.",Cc1ccc(C(=O)CCC(=O)OCC(=O)N(C)Cc2ccsc2)s1
AddComponent,Modify the molecule CC([NH3+])(C(=O)N1CCC2CCCCC2C1)c1ccccc1 by adding a hydroxyl.,CC([NH3+])(C(=O)N1CCC2CCCCC2C1)c1ccccc1O
SubComponent,Modify the molecule halo by substituting a O=C(c1cc(-c2ccccc2F)n[nH]1)N1CC2CCC(Oc3cccnc3)C2C1 with a nitro.,ONc1ccccc1-c1cc(C(=O)N2CC3CCC(Oc4cccnc4)C3C2)[nH]n1
DelComponent,Please remove a benzene ring from the molecule OCc1ccc(C[NH2+]CC2CCCC2O)cc1.,OCC[NH2+]CC1CCCC1O
LogP,Modify the molecule Cc1ccc(NC2=[NH+]C(=O)C(=Cc3c(C)cc(C)cc3C)S2)cc1 to increase its LogP value.,Cc1ccc(NCSCc2c(C)cc(C)cc2C)cc1
MR,Please optimize the molecule CC[NH2+]C(C1CCOCC1)C(OC)C(C)(C)C to have a higher MR value.,CC[NH2+]C(C1CCOCC1c1ccccc1)C(OC)C(C)(C)C
QED,Please optimize the molecule CCOc1cccc(CBr)c1OCC1CCCO1 to have a lower QED value.,CCOc1c(-c2ccccc2)ccc(CBr)c1OCC1CCCO1
AtomNum,"The molecule consists of 27 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",C=C(CC[NH+](CCCCO)C(C)(C)C)OCC1CCC(COC(=O)CCC(C)(C)C)CC1
BondNum,"There is a molecule consisting of 15 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",OC1(C[NH2+]C(c2ccc(Cl)cc2)C2CC2)CCOC1
FunctionalGroup,"The molecule has 1 benzene ring group, and 3 halo groups.",CCC(Br)c1cn(CC(F)(F)c2ccccc2)nn1
AddComponent,Modify the molecule CN(Cc1ccccc1)C(=O)N(CCC(=O)[O-])C1CC1 by adding a nitrile.,CN(Cc1ccccc1)C(=O)N(CCC(=O)[O-])C1CC1C#N
SubComponent,Please substitute a halo in the molecule CC[NH2+]Cc1ccc(CC)c(Br)c1 with a thiol.,CC[NH2+]Cc1ccc(CC)c(S)c1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)CC3.,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc[nH]c1=O)CC3
LogP,Please optimize the molecule O=C(NC1CCOC2(CCCC2)C1)N1CCC(Oc2ccccc2Cl)C1 to have a lower LogP value.,O=C(NC1CCOC2(CCCC2)C1)N1CCC(Oc2ccccc2)C1
MR,Please modify the molecule CCCCN(CC)C(=O)C1CC([NH3+])C(C)CC1C to decrease its MR value.,CCCC(CC)C1C(C)CC(C)C1[NH3+]
QED,Modify the molecule Cn1c(-c2ccc(F)cc2)nn(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O to have a lower QED value.,Cn1c(-c2ccc(C#N)cc2)nn(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CC(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCC1C)C(=O)C(C)O2
BondNum,"The molecule consists of 16 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCCc1nc(NN)cc(NC2CC[NH+](CCC)CC2)n1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, 1 ester group, 1 amine group, and 3 halo groups.",COC(=O)C(C)(O)CNc1ccc(Br)c(Cl)c1Cl
AddComponent,Modify the molecule CC1C(O)C(CO)OC(Cc2ccc(CCCCCCc3ccc(CC4OC(CO)C(O)C(O)C4O)c(-c4cccc(CC(=O)[O-])c4)c3)cc2-c2cccc(CC(=O)[O-])c2)C1O by adding a aldehyde.,CC1C(O)C(CO)OC(Cc2ccc(CCCCCCc3ccc(CC4(CC=O)OC(CO)C(O)C(O)C4O)c(-c4cccc(CC(=O)[O-])c4)c3)cc2-c2cccc(CC(=O)[O-])c2)C1O
SubComponent,Please substitute a nitrile in the molecule COC(=O)C1(C#N)C2c3ccccc3C3C4c5ccccc5C(C3N2C)C1N4C with a aldehyde.,CC(=O)C1(C(=O)OC)C2c3ccccc3C3C4c5ccccc5C(C3N2C)C1N4C
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccc(Cc2cc(C3SC(CC)C(C)C(OCc4ccccc4)C3OCc3ccccc3)c(C)cc2C)cc1.,CCOCc1cc(C2SC(CC)C(C)C(OCc3ccccc3)C2OCc2ccccc2)c(C)cc1C
LogP,Please modify the molecule O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CC[NH+](Cc2cccc(F)c2F)CC1 to decrease its LogP value.,O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CC[NH+](C(F)F)CC1
MR,Optimize the molecule COc1ccc(Br)c(CC([NH3+])C2CCC(C)O2)c1 to have a lower MR value.,COc1cccc(CC([NH3+])C2CCC(C)O2)c1
QED,Optimize the molecule CN(C)c1ccc2c(c1)CC([NH3+])CN2 to have a lower QED value.,CN(C)c1ccc2c(c1)CC([NH3+])C2
AtomNum,"The molecule has 10 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COC(=O)c1ccc(N)cc1S(=O)(=O)NN(C)C
BondNum,"The molecule has 18 single bonds, 1 double bond, 11 rotatable bonds, and 12 aromatic bonds.",CCCC([NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OCC)c1)c1ccccc1
FunctionalGroup,"The molecule has 1 amide group, 1 halo group, and 1 sulfone group.",O=C(c1nn(C2CC[NH2+]C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1
AddComponent,Please add a hydroxyl to the molecule C[N+]1(CCO)C2CC(CC(C#N)(c3ccccc3)c3ccccc3)CC3CCC321.,C[N+]1(CCO)C2(O)CC(CC(C#N)(c3ccccc3)c3ccccc3)CC3CCC321
SubComponent,Substitute a hydroxyl in the molecule CC([NH3+])(CO)CCCCSc1cnccn1 with a carboxyl.,CC([NH3+])(CCCCSc1cnccn1)CC(=O)[OH]
DelComponent,Remove a [NH3+]C1CCC2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC12 from the molecule benzene ring.,C[NH+]1CCC(NC(=O)N2CC3CCC([NH3+])C3C2)CC1
LogP,Please modify the molecule CCCCOc1ccc2c(c1)S(=O)CCC21NC(=O)NC1=O to decrease its LogP value.,CCCCOc1ccc2c(c1)S(=O)CC(O)C21NC(=O)NC1=O
MR,Please optimize the molecule CNC(C#N)CCOC1CC(C)CC(C)C1 to have a higher MR value.,CC1CC(C)CC(OCCC(C#N)NCc2ccccc2)C1
QED,Please optimize the molecule N#Cc1ccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1C(F)(F)F to have a higher QED value.,N#Cc1ccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)C(O)C2)cc1C(F)(F)F
AtomNum,"Please generate a molecule with 15 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",CCC[NH2+]C1c2cccc(Br)c2CSC1C(C)C
BondNum,"The molecule has 13 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",COC(=O)C1CC1CCc1ccc(OC(C)C)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 hydroxyl group, and 1 amide group.",CC[NH+](C)C(C(=O)Nc1ccc(N(C)CCO)cc1)c1ccccc1
AddComponent,Please add a benzene ring to the molecule CCc1ccc(-c2ccc(Cl)c(Cl)c2F)cc1C1C(=O)CCC1=O.,CCc1ccc(-c2ccc(Cl)c(Cl)c2F)cc1C1C(=O)CC(c2ccccc2)C1=O
SubComponent,Modify the molecule nitrile by substituting a CCc1c(C)sc(Nc2nc(C)nc3c2NC(=O)C(CC(C)C)N3)c1C#N with a hydroxyl.,CCc1c(C)sc(Nc2nc(C)nc3c2NC(=O)C(CC(C)C)N3)c1O
DelComponent,Please remove a benzene ring from the molecule Cc1cccc(CCC(=O)NCCCN=[N+]=[N-])c1.,CCCC(=O)NCCCN=[N+]=[N-]
LogP,Optimize the molecule Fc1cccc(CCNc2nc(Nc3ccc4[nH]cc(C5=CC[NH2+]CC5)c4c3)ncc2Br)c1 to have a higher LogP value.,CC(=O)c1cccc(CCNc2nc(Nc3ccc4[nH]cc(C5=CC[NH2+]CC5)c4c3)ncc2Br)c1
MR,Please optimize the molecule CC([NH2+]CCc1ccccc1)c1ccc(OCC#N)cc1 to have a lower MR value.,CC([NH2+]CCc1ccccc1)OCC#N
QED,Modify the molecule O=C([O-])c1cc(-c2ccc(=O)[nH]c2)cs1 to increase its QED value.,O=C([O-])c1scc(-c2ccc(=O)[nH]c2)c1-c1ccccc1
AtomNum,"There is a molecule consisting of 9 carbon atoms, 4 oxygen atoms, and 1 sulfur atom.",CCSC(=O)CC(O)CCC(=O)OC
BondNum,"There is a molecule with 12 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCC(CC)COc1ccc(C)nc1CC(C)[NH3+]
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 halo groups.",O=C(Nc1ccc(F)cc1F)NC1CCCCCCC1
AddComponent,Please add a hydroxyl to the molecule CCC1C[NH+](CC(=O)NCc2ccco2)CCC1[NH3+].,CCC1C[NH+](CC(=O)NC(O)c2ccco2)CCC1[NH3+]
SubComponent,Please substitute a O=C(Nc1cncnc1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2CCCC1C2 in the molecule halo with a nitrile.,N#CC(F)(F)c1cncc(-c2ccc3c(n2)N(C(=O)Nc2cncnc2)C2CCCN3C2)c1
DelComponent,Remove a amide from the molecule CC(C)CC1CN(C(C[NH2+]Cc2ccccc2)Cc2ccc3ccccc3c2)C(=O)C(=O)N1CCc1cccc(C(F)(F)F)c1.,CC(C)CC1C(C(C[NH2+]Cc2ccccc2)Cc2ccc3ccccc3c2)ON1CCc1cccc(C(F)(F)F)c1
LogP,Modify the molecule CC1=C[SH](c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)C=C1 to have a lower LogP value.,CC1=C[SH](c2cc(C(F)NO)nn2-c2ccc(S(N)(=O)=O)cc2)C=C1
MR,Optimize the molecule OC1CCCCCC1C1CCc2ccccc2C1O to have a higher MR value.,ONC1CCCCCC1C1CCc2ccccc2C1O
QED,Modify the molecule COc1ccc(-c2nc3c(Br)cccn3c2CN2CCC[NH2+]CC2)cc1[N+](=O)[O-] to have a lower QED value.,COc1ccc(-c2nc3c(S)cccn3c2CN2CCC[NH2+]CC2)cc1[N+](=O)[O-]
AtomNum,"Please generate a molecule with 16 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",CC(OC(=O)C=Cc1ccccc1)OC(=O)NC1(C(=O)[O-])CC1
BondNum,"The molecule has 9 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CCc1nn(-c2ncc(C)cc2N)c(CC)c1[N+](=O)[O-]
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 sulfide group.",COc1cccc(C([NH3+])Cc2csc(C)n2)c1
AddComponent,Add a benzene ring to the molecule O=C(Nc1cccc2c1CN(Cc1cccc(C[Si])c1)C2=O)c1cc(Cl)ccc1[S-].,O=C(Nc1cccc2c1CN(Cc1cc(C[Si])cc(-c3ccccc3)c1)C2=O)c1cc(Cl)ccc1[S-]
SubComponent,Modify the molecule halo by substituting a CCCCCn1c(N2CCC[NH+](CCC(CN(C)C(=O)c3cc(C4C=NN=N4)ccc3OC)c3ccc(F)cc3)CC2)nc2ccccc21 with a aldehyde.,CC(=O)c1ccc(C(CC[NH+]2CCCN(c3nc4ccccc4n3CCCCC)CC2)CN(C)C(=O)c2cc(C3C=NN=N3)ccc2OC)cc1
DelComponent,Remove a hydroxyl from the molecule CC(O)C(C)[NH2+]C1COCC1(C)C.,CCC(C)[NH2+]C1COCC1(C)C
LogP,Please modify the molecule C=CC1CC(c2ccccc2)=C2CCCC2C1 to decrease its LogP value.,C=CC1CC(c2ccccc2CC=O)=C2CCCC2C1
MR,Please modify the molecule CC(C[NH+](C)Cc1ccc(F)c2cccnc12)C(=O)[O-] to increase its MR value.,CC(C[NH+](C)Cc1ccc(C(=O)[OH])c2cccnc12)C(=O)[O-]
QED,Please optimize the molecule Cc1cccc(C#N)c1N1CCCC(C(C)[NH3+])C1 to have a lower QED value.,Cc1cccc(NO)c1N1CCCC(C(C)[NH3+])C1
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 4 oxygen atoms, and 6 nitrogen atoms.",COc1cccc2cc(C(=O)N3CCN(c4cc(-n5ccc(C)n5)ncn4)CC3)c(=O)oc12
BondNum,"There is a molecule composed of 14 single bonds, 3 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](Cc2nc3ccccc3s2)CC1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ketone group, 1 amide group, and 1 halo group.",COc1ccc(OC)c(N=NC(C(C)=O)C(=O)Nc2cc(OC)c(OC)cc2Cl)c1
AddComponent,Please add a hydroxyl to the molecule C[NH2+]Cc1c(C)oc2ccccc12.,C[NH2+]C(O)c1c(C)oc2ccccc12
SubComponent,Please substitute a COc1ncccc1Cn1ccc2cc(C#N)ccc21 in the molecule nitrile with a halo.,COc1ncccc1Cn1ccc2cc(F)ccc21
DelComponent,Modify the molecule benzene ring by removing a CC1CCN(c2ccc(N3CCN(C(=O)C=Cc4ccccc4)CC3)nn2)CC1.,C=CC(=O)N1CCN(c2ccc(N3CCC(C)CC3)nn2)CC1
LogP,Modify the molecule NC(=O)C1CCC[NH+](Cc2ccccc2NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)C1 to have a lower LogP value.,NC(=O)C1CCC[NH+](Cc2ccccc2CC(=O)N2CC(=O)Nc3ccccc32)C1
MR,Please optimize the molecule CCCCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)cc1OCC to have a higher MR value.,CCCCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)c(S)c1OCC
QED,Please modify the molecule CS(=O)(=O)CCSc1nc(N)ncc1Br to decrease its QED value.,CS(=O)(=O)CCSc1nc(N)ncc1C(=O)[OH]
AtomNum,"There is a molecule with 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",Cc1cc2c(cc1F)CC[NH2+]C2c1cc(O)cc(O)c1
BondNum,"The molecule contains 14 single bonds, 10 rotatable bonds, and 6 aromatic bonds.",CCCCc1ccc(CCC(C)(C)CC[NH2+]CC)cc1
FunctionalGroup,There is a molecule composed of and 3 ester groups.,CCCCCC=CCC=CCC=CCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
AddComponent,Modify the molecule Cc1ccccc1CN(C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)C(C)C(=O)NC(C)(C)C by adding a hydroxyl.,Cc1ccccc1CN(C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)C(CO)C(=O)NC(C)(C)C
SubComponent,Substitute a halo in the molecule COC(=O)C1(NC(=O)CCc2ccccc2Br)CCC(C)CC1 with a nitrile.,COC(=O)C1(NC(=O)CCc2ccccc2C#N)CCC(C)CC1
DelComponent,Remove a CCC(C#Cc1ccccc1OC(C)CO)NC(=O)OC(C)(C)C from the molecule hydroxyl.,CCC(C#Cc1ccccc1OC(C)C)NC(=O)OC(C)(C)C
LogP,Please modify the molecule CC(S)C(=O)NCC(C)(C)[NH+](C)C to decrease its LogP value.,CC(NO)C(=O)NCC(C)(C)[NH+](C)C
MR,Modify the molecule C=CC[NH+](CC=C)CCc1ccc(CS(=O)(=O)c2ccc(C(C)C)cc2)cc1 to decrease its MR value.,C=CC[NH+](CC=C)CCc1ccc(CS(=O)(=O)C(C)C)cc1
QED,Please optimize the molecule O=C(OCc1ccc(Br)cc1)c1cc(Cl)ncc1[N+](=O)[O-] to have a lower QED value.,O=C(OCBr)c1cc(Cl)ncc1[N+](=O)[O-]
AtomNum,"There is a molecule composed of 20 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(CCNS(=O)(=O)c2cc(C(=O)[O-])ccc2N2CCCC2)cc1
BondNum,"The molecule consists of 18 single bonds, 1 double bond, and 2 rotatable bonds.",[NH3+]C1(CC(=O)N2CC3CCCC3C2)CCCC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 3 amine groups, 1 halo group, and 1 sulfide group.",CCNC(NCC(=O)N1CCc2sccc2C1)=[NH+]Cc1cccc(F)c1
AddComponent,Add a hydroxyl to the molecule Cc1ccc(-c2c(C(F)F)nn(-c3ccc(C)cc3)c2-c2ccc(S(C)(=O)=O)cc2)cc1.,Cc1ccc(-c2c(C(F)F)nn(-c3ccc(C)c(O)c3)c2-c2ccc(S(C)(=O)=O)cc2)cc1
SubComponent,Please substitute a halo in the molecule COC(=O)Nc1cccc(NCc2cccc(Cl)c2Cl)c1 with a carboxyl.,COC(=O)Nc1cccc(NCc2cccc(C(=O)[OH])c2Cl)c1
DelComponent,Modify the molecule benzene ring by removing a COc1cccc(CNC(=O)N(CCO)Cc2ccccc2)c1.,COCNC(=O)N(CCO)Cc1ccccc1
LogP,Please modify the molecule Cc1ccc(N2CCc3c(N)cccc3C2)c(C#N)c1 to increase its LogP value.,Cc1ccc(N2CCc3c(N)cccc3C2)cc1
MR,Optimize the molecule COc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1S(=O)(=O)N1CCCCC1C to have a higher MR value.,COc1ccc(C(=O)N2CC[NH+](CC3CC3CC=O)CC2)cc1S(=O)(=O)N1CCCCC1C
QED,Modify the molecule O=C([O-])CC(NC(=O)COc1ccc(Cl)cc1)c1cccs1 to increase its QED value.,O=C([O-])CC(Oc1ccc(Cl)cc1)c1cccs1
AtomNum,"The molecule has 18 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc2cccc(OC(=O)N(C)c3ccccc3)c2n1
BondNum,"Please generate a molecule composed of 5 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",COCC(=O)Nc1ccon1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, and 1 nitrile group.",Cc1cc2c(C#N)cccc2n1-c1nc(NCc2ccccc2)c2c(n1)C1CCC[NH+]1CC2
AddComponent,Add a hydroxyl to the molecule O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1c2c(nc3ccc(Cl)cc13)CCC2.,O=C(NCc1ccc(S(=O)(=O)N2CCC(O)C2)cc1)c1c2c(nc3ccc(Cl)cc13)CCC2
SubComponent,Substitute a CCn1c(C2COCCO2)nnc1N1CCC(O)(C(F)(F)F)C1 in the molecule hydroxyl with a halo.,CCn1c(C2COCCO2)nnc1N1CCC(F)(C(F)(F)F)C1
DelComponent,Modify the molecule N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cccc5c4C(O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)cc1 by removing a benzene ring.,N#Cc1ccc(-c2ccc3c4ccc(C#N)cc4n(-c4cccc5c4C(O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)cc1
LogP,Please modify the molecule C[NH2+]CCN(C)Cc1c(C(=O)NN)oc2ccccc12 to increase its LogP value.,C[NH2+]CC(S)N(C)Cc1c(C(=O)NN)oc2ccccc12
MR,Modify the molecule Cc1ccccc1-c1nc(C)c(CNC(=O)COc2ccccc2)s1 to decrease its MR value.,Cc1ccccc1-c1nc(C)c(CNC(=O)CO)s1
QED,Modify the molecule CC(=O)c1cccc(NC(=O)c2ccnc(C(=O)Nc3ccc(F)cc3F)c2)c1 to increase its QED value.,CC(=O)c1cccc(NC(=O)c2ccnc(C(=O)Nc3ccc(F)cc3)c2)c1
AtomNum,"The molecule contains 14 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC1COCCN1C1(C[NH3+])CCC(C)(C)CC1
BondNum,"The molecule contains 8 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",C[N+](C)(C)c1cccc(OC(=O)c2ccc(N)cc2)c1
FunctionalGroup,The molecule contains and 5 hydroxyl groups.,OC1COC(O)(C(O)P)C(O)C1O
AddComponent,Modify the molecule Cc1nc2ccc(C(CO)N3CC[NH2+]CC3)cc2[nH]1 by adding a benzene ring.,Cc1nc2ccc(C(CO)N3CC[NH2+]CC3c3ccccc3)cc2[nH]1
SubComponent,Please substitute a halo in the molecule COc1cc(C=CC(=O)C=Cc2c(F)cccc2Br)ccc1O with a aldehyde.,CC(=O)c1cccc(Br)c1C=CC(=O)C=Cc1ccc(O)c(OC)c1
DelComponent,Remove a CC(C)(C#N)CC(F)(F)F from the molecule halo.,CC(C)(C#N)CC(F)F
LogP,Please optimize the molecule NC(=O)CC(NC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CO)C(=O)[O-] to have a higher LogP value.,N#CCC(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CC(N)=O)NC(=O)C([NH3+])CCC(=O)[O-])C(=O)[O-]
MR,Optimize the molecule O=C(NNC(=O)c1csc(-c2ccsc2)n1)c1ccc([N+](=O)[O-])cc1 to have a higher MR value.,O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1O)c1csc(-c2ccsc2)n1
QED,Modify the molecule CC(C)OP(=O)(OC(C)C)C(F)(F)CCCCSCCCO to have a higher QED value.,CC(C)OP(=O)(OC(C)C)C(F)CCCCSCCCO
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 chlorine atom, and 1 iodine atom.",O=C(Nc1cccc(CCCCl)c1)c1ccc(I)c(O)c1
BondNum,"There is a molecule with 14 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",O=C(c1cn(-c2ccc(C(F)(F)F)cn2)nn1)N1CCC[NH2+]CC1
FunctionalGroup,Please generate a molecule consisting and 2 amide groups.,Cc1nn(C(C)C)c(C)c1CN(C)C(=O)CN1CCCC1=O
AddComponent,Modify the molecule COc1ccccc1C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1 by adding a hydroxyl.,COc1cccc(O)c1C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1
SubComponent,Modify the molecule halo by substituting a CCOc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1cccc(C)c1 with a aldehyde.,CC(=O)c1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1cccc(C)c1
DelComponent,Remove a benzene ring from the molecule COC(=O)c1ccccc1-c1ncc2nn(Cc3ccccc3OC)cc2n1.,COC(=O)c1ncc2nn(Cc3ccccc3OC)cc2n1
LogP,Please modify the molecule Cc1cc(C#N)cc(C)c1OCC(C1CCCCC1)C1(c2ccc(Cl)cc2)Nc2ccccc2N1 to decrease its LogP value.,Cc1cc(C#N)cc(C)c1OCC(C1CCCCC1N)C1(c2ccc(Cl)cc2)Nc2ccccc2N1
MR,Modify the molecule CCC(COC)Nc1cnn(C)c(=O)c1Cl to increase its MR value.,CCC(COC)Nc1cnn(C)c(=O)c1C(=O)[OH]
QED,Please optimize the molecule CC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 to have a higher QED value.,CC(=O)NN=Cc1cc(-c2ccccc2)n([N+](=O)[O-])c1-c1ccccc1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 3 nitrogen atoms, and 3 fluorine atoms.",C=CCn1cc(C)[nH+]c1Nc1ccc(C(F)(F)F)cc1
BondNum,"There is a molecule composed of 12 single bonds, 3 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CNS(=O)(=O)c1cccc(CNC(NCc2nc(C)c(C)o2)=[NH+]C)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",O=C(Nc1cnn(CC2CC2)c1)c1ccc(I)cc1
AddComponent,Modify the molecule COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)cc3C)C2c2cccc(O)c2)cc1 by adding a hydroxyl.,COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)c(O)c3C)C2c2cccc(O)c2)cc1
SubComponent,Please substitute a ClP(Cl)c1cccc2cc3ccccc3cc12 in the molecule halo with a hydroxyl.,OP(Cl)c1cccc2cc3ccccc3cc12
DelComponent,Remove a benzene ring from the molecule CC(OCCC#N)c1ccccc1.,CCOCCC#N
LogP,Please modify the molecule N#Cc1cc2c(nc1C#N)nc(C(F)(F)F)n2O to increase its LogP value.,N#Cc1ccc2c(n1)nc(C(F)(F)F)n2O
MR,Please optimize the molecule O=C([O-])C1CCCCC1C(=O)OCC(F)(F)S(=O)(=O)[O-] to have a higher MR value.,O=C([O-])C1CCCCC1(C(=O)O)C(=O)OCC(F)(F)S(=O)(=O)[O-]
QED,Optimize the molecule COc1ccc(COc2ccc(-c3ccc(S(=O)(=O)NC(C(=O)[O-])C(C)C)cc3)cc2)cc1 to have a higher QED value.,COc1ccc(COc2ccc(S(=O)(=O)NC(C(=O)[O-])C(C)C)cc2)cc1
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CCCc1c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[nH]c(C)c1C(=O)OC
BondNum,"There is a molecule composed of 7 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(C)c1C(=O)Cc1ccc(Cl)c(Cl)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 ketone group.",CCCCC1CC(=O)c2c([O-])cc(Cc3ccccc3-c3ccccn3)cc2C1
AddComponent,Please add a hydroxyl to the molecule CCC([NH3+])Cc1cccc(Oc2cccc(C)c2C)c1.,Cc1cccc(Oc2cccc(CC([NH3+])CCO)c2)c1C
SubComponent,Substitute a halo in the molecule CNc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc(Cl)n1 with a aldehyde.,CC(=O)c1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc(NC)n1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(C[NH+]2CC3(C)CCC(C)(C)CC2C3)cc1.,CC[NH+]1CC2(C)CCC(C)(C)CC1C2
LogP,Modify the molecule CCOC1(C(O)Cc2cc(F)ccc2Br)CCCC(C)C1 to have a lower LogP value.,CCOC1(C(O)Cc2ccccc2Br)CCCC(C)C1
MR,Please optimize the molecule C=CCCCCCCC(NC(=O)COCCOC)C(N)=O to have a higher MR value.,C=CCCCCCCC(NC(=O)C(OCCOC)c1ccccc1)C(N)=O
QED,Modify the molecule CCC[NH2+]C(c1ccc(C)cc1F)c1cc(C)ccc1F to have a lower QED value.,CCC(CC=O)[NH2+]C(c1ccc(C)cc1F)c1cc(C)ccc1F
AtomNum,"The molecule consists of 13 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",COCC(C)CC([NH3+])Cc1ncnn1CC(C)C
BondNum,"Please generate a molecule with 7 single bonds, 6 rotatable bonds, and 28 aromatic bonds.",Nc1cc(-c2ccc3c(c2)ncn3-c2ccnc(NCCc3ccccc3)n2)ccn1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 hydroxyl groups, and 1 halo group.",OCCn1cc(-c2ccc3[nH+]cc(Cc4ccc(O)cc4F)n3n2)cn1
AddComponent,Modify the molecule CCC1CC[NH+](Cc2ccno2)C1 by adding a benzene ring.,CCC1CC[NH+](C(c2ccccc2)c2ccno2)C1
SubComponent,Substitute a nitrile in the molecule N#Cc1cccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1 with a carboxyl.,O=C([OH])c1cccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1
DelComponent,Remove a O=C(NOCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C(=O)NC2=O from the molecule halo.,O=C(NOCc1ccc(C(F)F)cc1)c1ccc2c(c1)C(=O)NC2=O
LogP,Modify the molecule CC(=O)c1c(-c2nc3ccc(I)cc3c(=O)n2-c2ccc(Cl)cc2)[nH][nH]c1=O to decrease its LogP value.,CC(=O)c1c(-c2nc3ccc(I)cc3c(=O)n2Cl)[nH][nH]c1=O
MR,Modify the molecule O=C1C[NH+](CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)CCN1 to increase its MR value.,O=C1C[NH+](CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)C(c3ccccc3)C2)CCN1
QED,Modify the molecule CC(C)(CO)NS(=O)(=O)c1c(F)cc(N)cc1F to have a lower QED value.,CC(CO)(CO)NS(=O)(=O)c1c(F)cc(N)cc1F
AtomNum,"There is a molecule composed of 14 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCC=C(C)C(=O)NCC(O)c1ccccc1
BondNum,"The molecule consists of 23 single bonds, 4 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",COC(=O)C1=C(C23CC(C(=O)N(C)OC)(C2)C3)NC(c2nccs2)=NC1c1ccc(F)cc1Cl
FunctionalGroup,"Please generate a molecule consisting 1 ester group, and 1 amide group.",CNC(=O)C1CCC[NH+](C(C)CC(=O)OC)C1
AddComponent,Add a hydroxyl to the molecule CCC(C)C(CC(=O)C([NH2+]CC(C(C)C)N(C)C)C(C)C)C(CC(O)[NH+]1CCCC(C(OC)C(C)C(O)[NH2+]C(CC2C=CC=CCC2)C(=O)NC(CCC(C)C(=O)[O-])C(=O)[O-])C1)OC.,CCC(C)C(CC(=O)C([NH2+]CC(C(C)C)N(C)C)C(C)C)C(CC(O)[NH+]1CCCC(C(OC)C(C)C(O)[NH2+]C(CC2C=CC=CCC2)C(=O)NC(C(=O)[O-])C(O)CC(C)C(=O)[O-])C1)OC
SubComponent,Please substitute a COc1ccc2c(c1)C=CC1C3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)C3C(C(C)=O)N21 in the molecule nitro with a thiol.,COc1ccc2c(c1)C=CC1C3C(=O)N(c4cc([SH]=O)ccc4OC)C(=O)C3C(C(C)=O)N21
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(-c2ccc(C=NNC(N)=S)o2)cc1C.,CCc1ccc(C=NNC(N)=S)o1
LogP,Modify the molecule N#CC1(NC(=O)COC(=O)C=Cc2c(Cl)cccc2Cl)CCCC1 to have a higher LogP value.,N#CC1(OC(=O)C=Cc2c(Cl)cccc2Cl)CCCC1
MR,Please optimize the molecule N#Cc1cccc(NC(=O)c2ccnc(Nc3ccc(F)c(Cl)c3)c2)c1 to have a higher MR value.,N#Cc1cccc(NC(=O)c2ccnc(Nc3ccc(NO)c(Cl)c3)c2)c1
QED,Modify the molecule C[NH2+]C(Br)c1cc(Br)ccc1OC to decrease its QED value.,C[NH2+]C(Br)c1cc(Br)ccc1OCc1ccccc1
AtomNum,"There is a molecule consisting of 27 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 fluorine atom.",CC(=O)N1C2CCC1C[NH+](CCOc1ccc(NC(=O)c3cccc(F)c3)cc1-c1ccnn1C)C2
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",O=C(NC1CCc2ccccc21)C1CNNC1c1ccccc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amide groups, and 1 halo group.",Cc1cc2c(cc1C)C(=CC(=O)N1CC[NH+](C)CC1)N(c1ccc(F)cc1)C2=O
AddComponent,Add a benzene ring to the molecule C[NH2+]C1C(O)C(OC2C(NC(=O)C(O)CC[NH2+]NCN)CC([NH3+])C(OC3OC(C[NH3+])=CCC3[NH2+]CC(O)CC[NH3+])C2O)OCC1(C)O.,C[NH2+]C1C(O)C(OC2C(NC(=O)C(O)CC[NH2+]NCN)CC([NH3+])C(OC3OC(C[NH3+])=CCC3[NH2+]CC(O)CC[NH3+])(c3ccccc3)C2O)OCC1(C)O
SubComponent,Substitute a Nc1ccc(Cl)c(C(=O)NCC(O)C(F)(F)F)c1 in the molecule hydroxyl with a nitro.,Nc1ccc(Cl)c(C(=O)NCC(NO)C(F)(F)F)c1
DelComponent,Modify the molecule Brc1cccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 by removing a halo.,c1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1
LogP,Please modify the molecule COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C=O)n2Cc1ccc(Cl)cc1 to decrease its LogP value.,COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C=O)CN)n2Cc1ccc(Cl)cc1
MR,Modify the molecule CCC(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C[NH3+])C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(CC)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CC(=O)[O-])C(=O)[O-])C(C)CC)C(C)CC)C(C)O to have a higher MR value.,CCC(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C[NH3+])C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CNO)C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(CC)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CC(=O)[O-])C(=O)[O-])C(C)CC)C(C)CC)C(C)O
QED,Optimize the molecule CCC(O)(c1cc(C)cc(C)c1)C1CC1 to have a lower QED value.,CCC(O)(CC)C1CC1
AtomNum,"There is a molecule with 13 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",Cc1cc(C(C[NH3+])N2CCSCC2)ccc1Br
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 3 rotatable bonds, and 10 aromatic bonds.",O=C(CSC1=[NH+]CCN1)c1cc2ccccc2o1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 amine group.",COc1cc(N)ccc1COc1ccc(C(C)(C)C)cc1
AddComponent,Please add a aldehyde to the molecule C=CC(=O)N(Br)c1ccccc1.,C=CC(=O)N(Br)c1ccc(CC=O)cc1
SubComponent,Modify the molecule halo by substituting a CCCCOC(=O)c1ccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccc(C(C)=O)cc3)C2=O)cc1 with a aldehyde.,CC(=O)c1ccc(SC2=C(Nc3ccc(C(=O)OCCCC)cc3)C(=O)N(c3ccc(C(C)=O)cc3)C2=O)cc1
DelComponent,Please remove a benzene ring from the molecule COc1cc2c(Nc3ccc4[nH]ccc4c3)ccnc2cc1OCc1ccccc1.,COc1cc2nccc(Nc3ccc4[nH]ccc4c3)c2cc1OC
LogP,Please modify the molecule Nc1c(F)c(S(=O)(=O)Nc2ccnc(Cl)n2)cc(Cl)c1Br to decrease its LogP value.,Nc1cc(S(=O)(=O)Nc2ccnc(Cl)n2)cc(Cl)c1Br
MR,Please modify the molecule O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=S)NC2CCCCC2)cc1 to decrease its MR value.,O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=S)C2CCCCC2)cc1
QED,Please modify the molecule Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4nc(C)nc(C)n4)c(-n4c5cc(C)ccc5c5ccc(C)cc54)cc3C#N)c2c1 to increase its QED value.,Cc1ccc2c3ccc(C)cc3n(-c3ccc(-n4c5cc(C)ccc5c5ccc(C)cc54)c(-c4nc(C)nc(C)n4)c3)c2c1
AtomNum,"There is a molecule with 18 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",O=C(OCc1ccccn1)c1cccn1Cc1ccccc1
BondNum,"The molecule has 16 single bonds, 8 rotatable bonds, and 5 aromatic bonds.",CC(C)C[NH2+]CC1CCC(C[NH+](C)Cc2ccoc2)O1
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 amine groups, and 1 sulfone group.",NS(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1
AddComponent,Please add a hydroxyl to the molecule C[NH2+]C(C)c1ccc(NC(=O)Nc2cn(C)nc2C)cc1.,C[NH2+]C(C)c1ccc(NC(=O)Nc2c(C)nn(C)c2O)cc1
SubComponent,Substitute a halo in the molecule Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1NS(=O)(=O)c1ccc(Cl)cc1 with a hydroxyl.,Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1NS(=O)(=O)c1ccc(O)cc1
DelComponent,Remove a nitrile from the molecule Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)cc1F.,Cc1ccc(NS(=O)(=O)c2ccccc2C)cc1F
LogP,Modify the molecule O=C(COc1ccc(Cl)cc1Cl)OCc1nc(-c2cccs2)no1 to have a lower LogP value.,N#Cc1ccc(OCC(=O)OCc2nc(-c3cccs3)no2)c(Cl)c1
MR,Please modify the molecule COc1ccc(COCCCC=CCO)cc1 to decrease its MR value.,CC=CCCCOCc1ccc(OC)cc1
QED,Modify the molecule CCc1cc(Cn2cc(C(=O)C(=O)Nc3cc(C)ns3)c3ccccc32)on1 to have a higher QED value.,CCc1cc(Cn2cc(Oc3cc(C)ns3)c3ccccc32)on1
AtomNum,"The molecule consists of 12 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",Cc1ccc(C(=O)C(=O)NCC(C)O)cc1
BondNum,"Please generate a molecule consisting 16 single bonds, 2 double bonds, 6 rotatable bonds, and 5 aromatic bonds.",CCC[NH2+]Cc1cn[nH]c1S(=O)(=O)N1CC2CCC(C1)O2
FunctionalGroup,The molecule has and 1 amine group.,CCn1nc(NCc2ccnn2CC)cc1C
AddComponent,Please add a thiol to the molecule CNC(=O)NCCCNc1nc(-c2ccc(Cl)cc2)nc2[nH]c(C)cc12.,CNC(=O)NCCCNc1nc(-c2ccc(Cl)cc2)nc2[nH]c(CS)cc12
SubComponent,Substitute a Cn1nccc1C(O)Cc1cc(F)ccc1F in the molecule hydroxyl with a thiol.,Cn1nccc1C(S)Cc1cc(F)ccc1F
DelComponent,Modify the molecule hydroxyl by removing a CCCCCCCCCCCCCc1cc(Oc2ccccc2)cc(O)c1S(=O)(=O)[O-].,CCCCCCCCCCCCCc1cc(Oc2ccccc2)ccc1S(=O)(=O)[O-]
LogP,Optimize the molecule C=CCCC[SiH]1CCC(c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)CC1 to have a lower LogP value.,C=CCCC[SiH]1CCC(OC(=O)c2ccc(Cl)cc2)CC1
MR,Modify the molecule CCCCCCCCCOc1ccc(C=Nn2c(C)nnc2SC)c(Cl)c1 to have a higher MR value.,CCCCCCCCCOc1ccc(C=Nn2c(C)nnc2SC)c(S)c1
QED,Optimize the molecule CC(=O)Nc1ccc2c(n1)-c1ccc(OCC(C)(CC(C)C)N(C(=O)[O-])C(C)(C)C)cc1OC2 to have a lower QED value.,CC(=O)Nc1ccc2c(n1)-c1c(O)cc(OCC(C)(CC(C)C)N(C(=O)[O-])C(C)(C)C)cc1OC2
AtomNum,"Please generate a molecule with 24 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)cc1F
BondNum,"The molecule contains 10 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCC(NC)C(C)S(=O)(=O)c1cc(F)ccc1F
FunctionalGroup,There is a molecule composed of and 5 halo groups.,Fc1cc(C(F)F)c(Cl)c(Cl)n1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(S(=O)OCCOS(=O)(=O)[O-])cc1C.,Cc1cc(S(=O)OCCOS(=O)(=O)[O-])ccc1OCO
SubComponent,Modify the molecule hydroxyl by substituting a CCCNS(=O)(=O)c1ccc(NC(CC)CCO)cc1 with a nitrile.,CCCNS(=O)(=O)c1ccc(NC(CC)CCC#N)cc1
DelComponent,Modify the molecule [NH3+]C1CN(c2nc(C3CC3)cs2)C1=O by removing a amide.,[NH3+]Cc1nc(C2CC2)cs1
LogP,Optimize the molecule COCCCC[NH2+]CCC(=O)NCCCC(C)=O to have a higher LogP value.,COCCCC[NH2+]CCCCC(C)=O
MR,Modify the molecule CC=C(C)C(=O)c1ccccc1C#N to decrease its MR value.,CC=C(C)C(=O)c1ccccc1
QED,Modify the molecule Cc1ccc(C[NH+]2CCCCCC2C(=O)[O-])cc1Br to have a lower QED value.,Cc1ccc(C[NH+]2CCCCCC2C(=O)[O-])cc1NO
AtomNum,"Please generate a molecule with 12 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CNc1nc(C)cc(SCC(=O)OC(C)(C)C)n1
BondNum,"The molecule consists of 7 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCC[NH2+]CCn1cncc1C
FunctionalGroup,Please generate a molecule composed of and 1 ester group.,CC[NH2+]C1COCC1C(=O)OC
AddComponent,Please add a benzene ring to the molecule CC(C)(C)c1nc(C2Cc3ccccc3C2)nc(Cl)c1Br.,CC(C)(C)c1nc(C2Cc3cccc(-c4ccccc4)c3C2)nc(Cl)c1Br
SubComponent,Substitute a halo in the molecule CC(NC(=O)C=Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 with a nitrile.,CC(NC(=O)C=Cc1cccc(C(F)(F)C#N)c1)c1nc2ccccc2[nH]1
DelComponent,Please remove a halo from the molecule Cc1cccc(C)c1NC(=O)C[NH+]1CCCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1.,Cc1cccc(C)c1NC(=O)C[NH+]1CCCN(C(=S)Nc2ccc(F)cc2)CC1
LogP,Optimize the molecule CC1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 to have a higher LogP value.,CC1CCN(S(=O)(=O)c2cc(F)c(Br)cc2S)CC1
MR,Modify the molecule C#CCCn1cccc(Br)c1=O to have a lower MR value.,C#CCCn1ccccc1=O
QED,Modify the molecule O=C1CCc2cc([S-])ccc2N1CC1CC1 to have a lower QED value.,[S-]c1ccc2c(c1)C2CC1CC1
AtomNum,"The molecule contains 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1csc(Nc2cccc(NS(=O)(=O)c3cc(F)ccc3Cl)c2)n1
BondNum,"There is a molecule consisting of 2 single bonds, 1 double bond, 2 rotatable bonds, and 22 aromatic bonds.",S=c1nc2nc(-c3ccccc3)sc2cn1-c1ccccc1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 2 amine groups, and 1 halo group.",CC(=O)Nc1ccc(Nc2nncc(Nc3cccc(Cl)c3)n2)cc1
AddComponent,Modify the molecule Cc1nc(N2CCN(S(=O)(=O)Cc3noc4ccccc34)CC2)cc(-n2cnc(C)c2C)n1 by adding a thiol.,Cc1ncn(-c2cc(N3CCN(S(=O)(=O)Cc4noc5ccccc45)CC3)nc(CS)n2)c1C
SubComponent,Substitute a halo in the molecule CCCC(CCCCC(O)(c1cn(Cc2ccccc2)c2cc(C#N)ccc12)C(F)(F)F)SCC(=O)[O-] with a carboxyl.,CCCC(CCCCC(O)(c1cn(Cc2ccccc2)c2cc(C#N)ccc12)C(F)(F)C(=O)[OH])SCC(=O)[O-]
DelComponent,Please remove a amide from the molecule CC(C)CC(C)OCCC(=O)N1CCCC([NH3+])C1.,CC(C)CC(C)OCC1CCC([NH3+])C1
LogP,Please optimize the molecule c1ccc(-c2n[n+](-c3ccccc3)ps2)cc1 to have a lower LogP value.,c1ccc(-c2n[n+]ps2)cc1
MR,Modify the molecule COC1(C(=O)N2CC3(CCCC3)C2)CCCC1 to have a lower MR value.,COC1C(C2CCC2)C12CCCC2
QED,Modify the molecule Cc1cccc(OC(C)CCC[NH2+]CC(C)C)c1C to decrease its QED value.,CCOC(C)CCC[NH2+]CC(C)C
AtomNum,"The molecule is composed of 21 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",N#Cc1cccc(COC(=O)C2CCCCN2C2=NS(=O)(=O)c3ccccc32)c1
BondNum,"Please generate a molecule composed of 22 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C12OCC(C)(CO1)CO2
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amine groups.",COc1cc(OC)cc(OCCNC2=[NH+]CCN2C)c1
AddComponent,Add a benzene ring to the molecule CCOC1CCC2C(C)CCCC(O)C12C.,CC(OC1CCC2C(C)CCCC(O)C12C)c1ccccc1
SubComponent,Substitute a nitro in the molecule O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc2ccccc2c1 with a thiol.,O=[SH]c1ccc2ncn(CC(=O)Nc3ccc4ccccc4c3)c(=O)c2c1
DelComponent,Remove a benzene ring from the molecule O=C(NC(c1ccccc1)c1cccc(OCc2ccc(C3(C(=O)[O-])CCC(CCCC[NH2+]CC(O)c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc2)c1)OC1C[NH+]2CCC1CC2.,O=C(NC(OCc1ccc(C2(C(=O)[O-])CCC(CCCC[NH2+]CC(O)c3ccc(O)c4[nH]c(=O)ccc34)CC2)cc1)c1ccccc1)OC1C[NH+]2CCC1CC2
LogP,Modify the molecule COc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccc(F)cc4C)ccc3C)CC2)ccc1NC(=O)c1cccc(F)c1 to have a lower LogP value.,COc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccc(C#N)cc4C)ccc3C)CC2)ccc1NC(=O)c1cccc(F)c1
MR,Please modify the molecule CC1CCC2C(C)(C)C3CC12CCC3CO to decrease its MR value.,CC1CCC23CC1C(C)(C)C2CCC3C
QED,Optimize the molecule COc1ccccc1NC(=S)NN=C1Cc2ccccc2C1 to have a lower QED value.,CONC(=S)NN=C1Cc2ccccc2C1
AtomNum,"There is a molecule consisting of 32 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C(C)=C(C#N)C1=O
BondNum,"Please generate a molecule composed of 10 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 6 aromatic bonds.",N#CCCc1cccc(OC(F)F)c1C=CC(=O)[O-]
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, 1 ester group, 1 amide group, and 3 halo groups.",C=CCOC(=O)C(C)C(c1ccc(Cl)cc1)N1C(=O)c2cc(C(O)(CC)C3CCOCC3)cc(F)c2C1(OC)c1ccc(Cl)cc1
AddComponent,Add a thiol to the molecule CN1CC2=C(C1=O)c1ccccc1C[NH2+]2.,CN1CC2=C(C1=O)c1ccccc1C(S)[NH2+]2
SubComponent,Substitute a CCOc1ccc(OCC)c(NC(=O)C[NH+](C)Cc2cccc(C#N)c2)c1 in the molecule nitrile with a nitro.,CCOc1ccc(OCC)c(NC(=O)C[NH+](C)Cc2cccc(NO)c2)c1
DelComponent,Please remove a CC1CCCCC1(C[NH3+])Nc1nn(C)c(=O)n(C)c1=O from the molecule amine.,CC1CCCCC1(C[NH3+])c1nn(C)c(=O)n(C)c1=O
LogP,Please optimize the molecule CC(=O)N(CCNC(=O)Cc1cccc(F)c1)c1c(C)cc(C)cc1C to have a lower LogP value.,CC(=O)N(CCNC(=O)CF)c1c(C)cc(C)cc1C
MR,Please modify the molecule CC1(CCNc2ncncc2Br)CC1 to decrease its MR value.,CC1(CCNc2ncncc2S)CC1
QED,Please optimize the molecule CC(CC(=O)N1CCC(c2ccccc2Cl)N1c1ccccc1Cl)C(=O)OC(C)(C)C to have a lower QED value.,CC(CC(=O)N1CCC(c2ccccc2NO)N1c1ccccc1Cl)C(=O)OC(C)(C)C
AtomNum,"There is a molecule consisting of 15 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCOC(=O)c1c(C)n(NC(C)=O)c2ccc(C)cc12
BondNum,"The molecule is composed of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 10 aromatic bonds.",CNC(=O)C1CCCCN1C(=O)c1sc(-c2ccc(C)o2)nc1C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 ketone group.",CC(C(=O)C1[NH2+]CC1Oc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1)[NH+](C)C
AddComponent,Modify the molecule Cc1ncsc1CCNC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C by adding a amine.,Cc1ncsc1C(N)CNC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C
SubComponent,Modify the molecule hydroxyl by substituting a C[n+]1noc(O)c1-c1c(C#N)c(N)nc(SCC(=O)Nc2ccc3c(c2)OCO3)c1C#N with a aldehyde.,CC(=O)c1on[n+](C)c1-c1c(C#N)c(N)nc(SCC(=O)Nc2ccc3c(c2)OCO3)c1C#N
DelComponent,Please remove a halo from the molecule O=C(NC(CO)CO)c1c(I)c(C(=O)NC(CO)CO)c(I)c(-n2c(=O)n(-c3c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)N(O)C(CO)CO)c3I)c(=O)n(-c3c(I)c(C(=O)N(O)C(CO)CO)c(I)c(C(=O)N(O)C(CO)CO)c3I)c2=O)c1I.,O=C(NC(CO)CO)c1cc(-n2c(=O)n(-c3c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c3I)c(=O)n(-c3c(I)c(C(=O)N(O)C(CO)CO)c(I)c(C(=O)N(O)C(CO)CO)c3I)c2=O)c(I)c(C(=O)N(O)C(CO)CO)c1I
LogP,Modify the molecule Cc1ccoc1C(=O)N1Cc2ccnn2C(CNS(C)(=O)=O)C1 to increase its LogP value.,Cc1ccoc1C(=O)N1Cc2ccnn2C(CS(C)(=O)=O)C1
MR,Please optimize the molecule CC(C)[NH2+]CCN1CCN([N+]([O-])=NNc2ccnc(Cl)n2)CC1 to have a lower MR value.,CC(C)[NH2+]CCN1CCN([N+]([O-])=NNc2ccncn2)CC1
QED,Please modify the molecule OCC(CCC(CCc1ccccc1)C(O)C(CO)Oc1ccccc1)c1ccccc1 to increase its QED value.,OCCCCC(CCc1ccccc1)C(O)C(CO)Oc1ccccc1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",C[NH+](Cc1nnnn1C1CC1)C1(CC(=O)[O-])CCCCC1
BondNum,"There is a molecule composed of 16 single bonds, 3 double bonds, 6 rotatable bonds, and 23 aromatic bonds.",Cc1ccc(C)c(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)C2c2ccc(I)cc2)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amide groups, and 3 halo groups.",CCC(C)(C)CC1C(=O)N(CC(=O)N2CCC(CC(=O)[O-])CC2)CC(c2ccccc2OC)c2cc(C(F)(F)F)ccc21
AddComponent,Please add a benzene ring to the molecule CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)ccc2c1=O.,CCCC(Cn1c(=O)[nH]c2cc(C(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)ccc2c1=O)c1ccccc1
SubComponent,Substitute a halo in the molecule BrCC(CBr)(Cc1ccccc1)CC1CCCC1 with a thiol.,SCC(CBr)(Cc1ccccc1)CC1CCCC1
DelComponent,Remove a Cc1ccc(CCC(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1 from the molecule halo.,Cc1ccc(CCC(=O)NNC(=O)CSc2ccccc2)cc1
LogP,Modify the molecule CC(O[Si](C)(C)C(C)(C)C)C1C(=O)N2C(C(=O)OC(C)(C)C)C(C([Se]c3ccccc3)[N+](=O)[O-])CN12 to have a higher LogP value.,CC(O[Si](C)(Cc1ccccc1)C(C)(C)C)C1C(=O)N2C(C(=O)OC(C)(C)C)C(C([Se]c3ccccc3)[N+](=O)[O-])CN12
MR,Modify the molecule CC(C)c1noc2ncc(C(=O)N3CCOCC34CCCC4)cc12 to have a higher MR value.,CC(CO)c1noc2ncc(C(=O)N3CCOCC34CCCC4)cc12
QED,Modify the molecule COCc1cccc(Oc2ncc(CBr)cn2)c1 to have a higher QED value.,COCc1cccc(Oc2ncc(C)cn2)c1
AtomNum,"The molecule contains 21 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",N#Cc1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccnc3)C2=O)o1
BondNum,"There is a molecule consisting of 15 single bonds, and 2 rotatable bonds.",CC(C1COCO1)C1([NH3+])CCCCC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amine groups, and 1 halo group.",Cc1ccc(Br)cc1C(C)(C)C[NH2+]CC(N)CN
AddComponent,Please add a amine to the molecule CCC1CCCC(C(=O)Cc2c(F)cccc2Cl)C1.,CCC1CCCC(N)(C(=O)Cc2c(F)cccc2Cl)C1
SubComponent,Modify the molecule halo by substituting a Cc1cc(C(=O)CC#N)c(C)cc1Cl with a hydroxyl.,Cc1cc(C(=O)CC#N)c(C)cc1O
DelComponent,Please remove a halo from the molecule CCOC(=O)C1CCCN(C(=O)C2(c3cccc(Cl)c3)CCC2)C1.,CCOC(=O)C1CCCN(C(=O)C2(c3ccccc3)CCC2)C1
LogP,Please optimize the molecule CCNc1nc2sccn2c1S(=O)(=O)NCc1cscn1 to have a lower LogP value.,O=C(O)CCNc1nc2sccn2c1S(=O)(=O)NCc1cscn1
MR,Modify the molecule O=S(=O)(NCC1CCC[NH2+]C1)c1ccc(Cl)cc1 to have a lower MR value.,O=S(=O)(CC1CCC[NH2+]C1)c1ccc(Cl)cc1
QED,Modify the molecule C[NH+](Cc1ccc(Cl)c(Cl)c1)Cn1nc2ccccn2c1=S to decrease its QED value.,C[NH+](Cc1ccc(Cl)c(Cl)c1)Cn1nc2c(O)cccn2c1=S
AtomNum,"The molecule is composed of 10 carbon atoms, 2 nitrogen atoms, and 1 chlorine atom.",C=C(C)CCc1cc(Cl)cnc1N
BondNum,"Please generate a molecule with 21 single bonds, 2 double bonds, and 3 rotatable bonds.",CC1(C)C(NC(=O)C2CCC(C(=O)[O-])CC2)C2CCOC21
FunctionalGroup,The molecule is composed of and 1 amine group.,CC(CC1CC1)n1cncc1-c1cccnc1N
AddComponent,Add a carboxyl to the molecule C=CCCC(CC)[NH2+]CCSCC(C)(C)O.,C=CCC(C(=O)O)C(CC)[NH2+]CCSCC(C)(C)O
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc(CCn2c(CCCO)nc3cc(Cl)ccc32)cc1OC with a carboxyl.,COc1ccc(CCn2c(CCCC(=O)[OH])nc3cc(Cl)ccc32)cc1OC
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cc(C)ccc4C)nc23)c(C)c1.,CCNC(=O)Cn1nc2c(Sc3ccc(C)cc3C)nccn2c1=O
LogP,Modify the molecule CSc1sc2c(C)cccc2c1F to have a higher LogP value.,CSc1sc2c(C)cccc2c1S
MR,Optimize the molecule Cc1cnc(-c2cc(Cl)ccc2Cl)c(O)c1 to have a higher MR value.,Cc1cnc(-c2cc(Cl)ccc2Cl)c(C#N)c1
QED,Please optimize the molecule COc1ccc(-n2ncc(CC(=O)[O-])c2C)cc1 to have a lower QED value.,COn1ncc(CC(=O)[O-])c1C
AtomNum,"The molecule is composed of 19 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",Cc1nc(C)c(C(=O)[O-])c(-c2cc([N+](=O)[O-])ccc2OCCCCBr)c1C(=O)[O-]
BondNum,"The molecule has 21 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",O=C1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 halo group.",CCC(C)[NH2+]CCCOc1ccc(I)cc1
AddComponent,Modify the molecule CC(=O)c1ccc(N2CC[NH+](C(C(=O)[O-])c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1 by adding a carboxyl.,CC(=O)c1ccc(N2CC[NH+](C(C(=O)[O-])c3c(-c4ccccc4)[nH]c4cc(C(=O)O)ccc34)CC2)cc1
SubComponent,Modify the molecule N#CC1=C([NH3+])Oc2cc3c(cc2C1c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)OCO3 by substituting a halo with a carboxyl.,N#CC1=C([NH3+])Oc2cc3c(cc2C1c1cc(Cl)c(OCc2ccccc2C#N)c(C(=O)[OH])c1)OCO3
DelComponent,Modify the molecule nitrile by removing a N#CCSCc1nc(C2CCCc3ccccc32)no1.,CSCc1nc(C2CCCc3ccccc32)no1
LogP,Please optimize the molecule CCOC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2C2CC2)sc(CC)c1C to have a lower LogP value.,CCOC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2C2CC2)sc(CCC(=O)O)c1C
MR,Optimize the molecule CC[NH+](CC)CCNc1nc(-c2ccc(Cl)c(Cl)c2)nc(C(Cl)(Cl)Cl)n1 to have a higher MR value.,CC(=O)c1ccc(-c2nc(NCC[NH+](CC)CC)nc(C(Cl)(Cl)Cl)n2)cc1Cl
QED,Please optimize the molecule N#Cc1ccc(C[NH2+]CCc2ccccn2)cc1 to have a lower QED value.,N#Cc1ccc(C[NH2+]CCc2ccccn2)c(-c2ccccc2)c1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",CN(C)c1ncccc1C(=O)NC1CC(c2ccncc2)[NH2+]N1
BondNum,"Please generate a molecule consisting 8 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",NC(=O)C(NC(=O)c1ccc(I)cc1)C(N)=O
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amide groups, and 2 halo groups.",O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1cc(F)cc(F)c1
AddComponent,Add a carboxyl to the molecule O=C1C=NCc2cc(Br)cc(F)c21.,O=C1C=NCc2c1c(F)cc(Br)c2C(=O)O
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)OCC(O)C[NH+]1CC(CO)OCC1C with a aldehyde.,CC(=O)C(COC(C)C)C[NH+]1CC(CO)OCC1C
DelComponent,Remove a CCCCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)CC)C(C(=O)Nc1ccc(OC)cc1)c1ccc(CC)cc1 from the molecule amide.,CCCC(C(C(=O)Nc1ccc(OC)cc1)c1ccc(CC)cc1)C(C)(CC)NC(=O)OC(C)(C)C
LogP,Modify the molecule [NH3+]CC1CC(F)CN1Cc1csnn1 to have a higher LogP value.,[NH3+]CC1CCCN1Cc1csnn1
MR,Optimize the molecule COc1ccc(OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 to have a higher MR value.,COc1ccc(OCC(=O)NC(=O)c2ccc(OC(O)F)cc2)c([N+](=O)[O-])c1
QED,Please modify the molecule Cc1ccc(N2CCN(c3nc4c(c(N(C)C)n3)CN(C(=O)c3cccc(C)c3)CC4)CC2)cc1 to increase its QED value.,CC(=O)N1CCc2nc(N3CCN(c4ccc(C)cc4)CC3)nc(N(C)C)c2C1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1ccc(C(=O)N2CC(C)[NH+](C)C(C)C2)cn1
BondNum,"There is a molecule composed of 2 single bonds, 2 rotatable bonds, and 56 aromatic bonds.",c1cnc2c(c1)ccc1ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4ccc5cccnc5c4n3)nc12
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 3 halo groups.",CCC(NC(=O)NCc1ccc(C(=O)[O-])cc1)C(F)(F)F
AddComponent,Modify the molecule COc1ccccc1CNC(=O)C(C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C by adding a amine.,COc1ccccc1CNC(=O)C(C)Sc1nc2sc(-c3cccc(N)c3)cc2c(=O)n1C
SubComponent,Please substitute a halo in the molecule C=C(CCl)C[NH+]1CC(C)CC(C)C1C with a nitrile.,C=C(CC#N)C[NH+]1CC(C)CC(C)C1C
DelComponent,Please remove a halo from the molecule CCC(=O)N1CCc2cc(CCCl)ccc21.,CCC(=O)N1CCc2cc(CC)ccc21
LogP,Optimize the molecule O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccccc1Cl to have a lower LogP value.,O=C(COC(=O)CCc1ccccc1)Nc1ccccc1Cl
MR,Please modify the molecule Cc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c2nc3n(c2n1)CCCCC3 to decrease its MR value.,Cc1cc(C(=O)Nc2ccc(N)c(Cl)c2)c2nc3n(c2n1)CCCCC3
QED,Please modify the molecule CC1C=CCC2C(=O)N(c3cccc(OC(=O)C4CC(=O)N(c5ccc(F)cc5)C4)c3)C(=O)C12 to increase its QED value.,CC1C=CCC2C(=O)N(c3cccc(OC(=O)C4CC(=O)N(c5ccccc5)C4)c3)C(=O)C12
AtomNum,"There is a molecule composed of 14 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",OC(CNc1ccccc1)COCc1ccco1
BondNum,"There is a molecule consisting of 7 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",C[NH2+]CCCCc1ccc(Br)c2cccnc12
FunctionalGroup,Please generate a molecule composed of and 1 sulfide group.,c1ccc2c(c1)sc1c3c(c4c(c12)CCC4)CCC3
AddComponent,Add a hydroxyl to the molecule Cc1ccccc1S(=O)(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1.,Cc1ccccc1S(=O)(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1O
SubComponent,Substitute a CCC(C)(CC)OC(C)CC(=O)C(CC)(CC)OCCC(C)O in the molecule hydroxyl with a thiol.,CCC(C)(CC)OC(C)CC(=O)C(CC)(CC)OCCC(C)S
DelComponent,Modify the molecule halo by removing a CC([NH3+])CCc1nc2cccc(Cl)c2o1.,CC([NH3+])CCc1nc2ccccc2o1
LogP,Please modify the molecule CC(NC(=O)C(C)N(c1ccccc1F)S(C)(=O)=O)c1ccccc1 to decrease its LogP value.,CC(C(=O)NC(C)(CC=O)c1ccccc1)N(c1ccccc1F)S(C)(=O)=O
MR,Modify the molecule O=C(COc1ccc(Oc2ccccc2)cc1)NNC(=O)Cc1c[nH]c2ccccc12 to increase its MR value.,O=C(COc1ccc(Oc2ccccc2)cc1O)NNC(=O)Cc1c[nH]c2ccccc12
QED,Modify the molecule CC(Cn1cnc(N)c2ncnc1-2)OC(F)P(=O)([O-])[O-] to have a lower QED value.,CC(Cn1cnc(N)c2ncnc1-2)OC(O)P(=O)([O-])[O-]
AtomNum,"There is a molecule with 14 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1cccc(C[NH+](C)CC(C)(C)C(=O)NN)c1
BondNum,"The molecule has 14 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccc(OC2CCN(C(=O)CCc3cccnc3)CC2)cc1
FunctionalGroup,There is a molecule consisting of and 2 amide groups.,CC(=O)N1CCN(C(=O)C2(C)CC2)CC1
AddComponent,Please add a benzene ring to the molecule CC1=CCC(C)(C)C=CCC2(C)OC3C=C(O)C(=O)C=C4COC(C43)C2CC1.,CC1=CCC(C)(C)C=CCC2(Cc3ccccc3)OC3C=C(O)C(=O)C=C4COC(C43)C2CC1
SubComponent,Please substitute a halo in the molecule CNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccncc2)n1 with a carboxyl.,CNc1nc(Nc2ccc(O)cc2C(=O)[OH])cc(-c2ccncc2)n1
DelComponent,Please remove a amide from the molecule COCCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2.,COCCNC(=O)C(C(C)C)C1CC[NH+](Cc2cn(C)c3ccccc23)C1
LogP,Please modify the molecule COc1cc(C=NN)ccc1OCc1ccccc1Cl to decrease its LogP value.,COc1cc(C=NN)ccc1OCc1ccccc1
MR,Please modify the molecule CC1(C)CCC(C[NH+]2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(F)CCOCC5)c(Cl)c4)c(-n4[nH]cc5nc6nccc6cc54)c3)CC2)=C(c2ccc(Cl)cc2)C1 to increase its MR value.,CC1(C)CCC(C[NH+]2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(C(=O)[OH])CCOCC5)c(Cl)c4)c(-n4[nH]cc5nc6nccc6cc54)c3)CC2)=C(c2ccc(Cl)cc2)C1
QED,Please modify the molecule C[NH2+]CCc1csc(C(C)CN2CC[NH2+]CC2)n1 to decrease its QED value.,C[NH2+]CCc1nc(C(C)CN2CC[NH2+]CC2)sc1C(=O)O
AtomNum,"There is a molecule composed of 19 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",O=C(C=Cc1ccc(F)cc1)c1c[nH+]c2sc3c(n12)CCCCC3
BondNum,"Please generate a molecule consisting 16 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N(C)CC1CCOC1
FunctionalGroup,The molecule consists of and 1 ester group.,C=CCOC(=O)C(CCCC[NH3+])NC(=O)OCC1c2ccccc2-c2ccccc21
AddComponent,Add a amine to the molecule CC(C)N(CC(=O)[O-])C(=O)CSc1cccc(C(F)(F)F)c1.,CC(CN)N(CC(=O)[O-])C(=O)CSc1cccc(C(F)(F)F)c1
SubComponent,Modify the molecule halo by substituting a COc1cccc(C(=O)NC2CCC([NH+](C)C)CC2)c1CC(=O)Nc1ccc(Cl)cn1 with a hydroxyl.,COc1cccc(C(=O)NC2CCC([NH+](C)C)CC2)c1CC(=O)Nc1ccc(O)cn1
DelComponent,Modify the molecule O=S1(=O)NC2C[NH+](Cc3cccs3)CC2Oc2ncccc21 by removing a amine.,O=S1(=O)c2cccnc2OC2C[NH+](Cc3cccs3)CC21
LogP,Modify the molecule Cc1cc(C)c(C)c(CC[NH2+]C2CCCC2)c1C to decrease its LogP value.,CCCC(C)C[NH2+]C1CCCC1
MR,Modify the molecule CCC(CCCc1ccc(Cl)cc1F)[NH2+]C to increase its MR value.,CCC(CCCc1cc(O)c(Cl)cc1F)[NH2+]C
QED,Please optimize the molecule CSc1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 to have a lower QED value.,CC(=O)c1ccc(SC)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 silicon atom.",C[Si](C)(C)CCOCn1ccnc1-c1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1
BondNum,"Please generate a molecule with 18 single bonds, 2 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",CCOCC12CCN(C(C)=O)CC1CN(C(=O)c1ccoc1)C2
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 sulfide group, and 1 sulfone group.",CCOc1ccc(-c2nc(C(=O)NCCS(C)(=O)=O)cs2)cc1
AddComponent,Modify the molecule CCOc1cccc(C=NNc2ncccc2[N+](=O)[O-])c1O by adding a hydroxyl.,CCOc1cccc(C=NNc2ncc(O)cc2[N+](=O)[O-])c1O
SubComponent,Modify the molecule Cc1nc2cc(Cl)ccn2c1C(=O)NCc1ccco1 by substituting a halo with a nitro.,Cc1nc2cc(NO)ccn2c1C(=O)NCc1ccco1
DelComponent,Modify the molecule halo by removing a O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N1CC[NH+](Cc2ccc(Cl)s2)CC1.,O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N1CC[NH+](Cc2cccs2)CC1
LogP,Please modify the molecule CCn1c2c(c(=O)n(CC)c1=O)C(c1ccccc1)NC(=O)N2 to decrease its LogP value.,CCn1c2c(c(=O)n(CC)c1=O)CNC(=O)N2
MR,Modify the molecule Cc1ccc(-n2c([O-])c(C3OC(=O)c4ccccc43)c(=O)[nH]c2=O)cc1 to increase its MR value.,Cc1ccc(-n2c([O-])c(C3OC(=O)c4ccccc43)c(=O)[nH]c2=O)cc1S
QED,Modify the molecule CCCC1CCCN(c2cncc(C[NH3+])n2)CC1 to increase its QED value.,[NH3+]Cc1cncc(N2CCCC(CCCc3ccccc3)CC2)n1
AtomNum,"Please generate a molecule consisting 27 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",Cc1cc(C(=O)N2CCC(C3CCCC3)C(=O)C2)nc2c(C(C)(C)C)cc(NCC(F)(F)F)cc12
BondNum,"There is a molecule with 7 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",CNc1cc(Oc2ccc(F)c(F)c2)nc(C)n1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amide groups, and 7 halo groups.",CCc1nc(NC(=O)C(F)(F)F)nc(NC(=O)C(F)(F)F)c1-c1ccc(Cl)cc1
AddComponent,Please add a hydroxyl to the molecule CC(C)(C)CCNc1ncc(Cl)cn1.,CC(C)(C)C(O)CNc1ncc(Cl)cn1
SubComponent,Substitute a hydroxyl in the molecule Cc1cnc(NC(=O)c2ccc(O)cc2)s1 with a halo.,Cc1cnc(NC(=O)c2ccc(I)cc2)s1
DelComponent,Please remove a O=C(C=C1CCCC1)N(CCO)CCO from the molecule amide.,OCCC1(CCO)CCCC1
LogP,Optimize the molecule Cc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)C[NH+]1CCOCC1 to have a lower LogP value.,Cc1cc(NC(=O)c2ccccc2C(=O)[OH])ccc1NC(=O)C[NH+]1CCOCC1
MR,Optimize the molecule CC1C([Si](C)(C)F)C(CC(=O)N(CCO)Cc2ccccc2)OC12C(=O)N(Cc1ccccc1)c1ccc(NC(=O)C3CCC[NH2+]3)cc12 to have a lower MR value.,CC1C([Si](C)C)C(CC(=O)N(CCO)Cc2ccccc2)OC12C(=O)N(Cc1ccccc1)c1ccc(NC(=O)C3CCC[NH2+]3)cc12
QED,Optimize the molecule Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 to have a lower QED value.,O=C(COc1ccc(Cl)cc1Cl)NN=C1CCCc2oc(C(=O)N3CCCc4ccccc43)c(Cc3ccccc3)c21
AtomNum,"The molecule has 21 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCCC3(CC3)C2)c1
BondNum,"The molecule is composed of 7 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cc1cccc(CC(Cl)c2cc(Br)c(Cl)s2)c1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 1 hydroxyl group, 1 amide group, 1 thioether group, and 1 sulfide group.",CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccccc1
AddComponent,Modify the molecule CCOC(=O)CN(C=O)CCCC=COC by adding a hydroxyl.,CCOC(=O)CN(C=O)CCCC=C(O)OC
SubComponent,Modify the molecule O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc(OCc2cccc(F)c2)c(I)c1 by substituting a halo with a carboxyl.,O=C(CSc1ccc(C(=O)[OH])cc1)NN=Cc1ccc(OCc2cccc(F)c2)c(I)c1
DelComponent,Please remove a amide from the molecule Cc1ccc(C(N)=[NH+]O)cc1NC(=O)CC(F)(F)F.,Cc1ccc(C(N)=[NH+]O)cc1C(F)(F)F
LogP,Optimize the molecule CCC(C)CC(C)Nc1ccc(N)nc1 to have a higher LogP value.,CCC(C)CC(C)c1ccc(N)nc1
MR,Modify the molecule CCOCc1nc(N)cc(N(CC)c2ccc(F)cc2)n1 to increase its MR value.,CCOCc1nc(N)cc(N(CC)c2ccccc2)n1
QED,Modify the molecule COc1cc(C=C2SC(=[NH+]c3ccc(C)cc3)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 to have a lower QED value.,COc1cc(C=C2SC(c3ccc(C)cc3)N(CC(C)C)C2=O)cc(Br)c1OCc1ccc(Br)cc1
AtomNum,"There is a molecule with 14 carbon atoms, 4 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",CCNc1ncc(C)c(Nc2ccccc2SC(F)F)n1
BondNum,"Please generate a molecule composed of 10 single bonds, 1 rotatable bond, and 11 aromatic bonds.",Cn1ncc(-c2cc(Br)c3c(c2)CC(C)(C)O3)c1N
FunctionalGroup,Please generate a molecule consisting and 2 hydroxyl groups.,CC1=Cc2oc3c(C(C)C)c(O)c(O)cc3c2CO1
AddComponent,Please add a carboxyl to the molecule CCn1ccnc1C[NH2+]CC1(C)CC[NH+](C)CC1.,CCn1c(C(=O)O)cnc1C[NH2+]CC1(C)CC[NH+](C)CC1
SubComponent,Substitute a nitrile in the molecule Cc1ccc(-c2c(C#N)c(N)nc3sc(C(=O)NCCc4ccccc4)c(N)c23)cc1 with a nitro.,Cc1ccc(-c2c(NO)c(N)nc3sc(C(=O)NCCc4ccccc4)c(N)c23)cc1
DelComponent,Modify the molecule CN(C(=O)C(=O)c1c[nH]c2cc(F)ccc12)C1CCS(=O)(=O)C1 by removing a halo.,CN(C(=O)C(=O)c1c[nH]c2ccccc12)C1CCS(=O)(=O)C1
LogP,Please optimize the molecule CCn1c2ccccc2c2cc(CN(C)C(=O)C3CCN(S(C)(=O)=O)CC3)ccc21 to have a higher LogP value.,CCn1c2ccccc2c2cc(C(C)C3CCN(S(C)(=O)=O)C3)ccc21
MR,Modify the molecule COc1cccc(Cl)c1C[NH+]1C2CCCC1CC([NH3+])C2 to have a higher MR value.,CC(=O)c1cccc(OC)c1C[NH+]1C2CCCC1CC([NH3+])C2
QED,Please optimize the molecule CCN(CCCNc1ncnc(Cl)c1Br)S(C)(=O)=O to have a higher QED value.,CCN(CCCNc1ncnc(C(=O)[OH])c1Br)S(C)(=O)=O
AtomNum,"The molecule contains 10 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",COCC(C)CNS(=O)(=O)c1csc(C[NH3+])c1
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CCC(CC)C1C[NH+]=C(NCc2cc(F)ccc2F)S1
FunctionalGroup,"The molecule has 3 benzene ring groups, and 2 amide groups.",COCC(=O)Nc1cccc(CNC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)c1
AddComponent,Please add a carboxyl to the molecule CCOCC[NH+](CC(=O)[O-])CP(=O)([O-])[O-].,CCOCC[NH+](CP(=O)([O-])[O-])C(C(=O)[O-])C(=O)O
SubComponent,Substitute a Cc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cccc(Cl)c2Cl)CC1 in the molecule halo with a nitrile.,Cc1ccc(C(=O)Nc2ccccc2C#N)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cccc(Cl)c2Cl)CC1
DelComponent,Modify the molecule hydroxyl by removing a Cc1ccccc1NC(=O)C(C)S(=O)CC(O)CO.,Cc1ccccc1NC(=O)C(C)S(=O)CC(C)O
LogP,Modify the molecule C=CC(=O)Oc1c(F)cccc1F to have a lower LogP value.,O=C(O)C=CC(=O)Oc1c(F)cccc1F
MR,Optimize the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C(=O)NCC(C)C)c3)CC2)cccc1C(=O)Nc1ccccc1F to have a higher MR value.,Cc1c(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C(=O)NCC(C)C)c3)CC2)cccc1C(=O)Nc1ccccc1
QED,Modify the molecule COc1cc(-c2nc3ccccc3c(=O)n2NCc2ccc(Cl)cc2)ccc1Cl to increase its QED value.,COc1cc(-c2nc3ccccc3c(=O)n2NCCl)ccc1Cl
AtomNum,"The molecule is composed of 18 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC(CO)N(C)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1
BondNum,"Please generate a molecule with 9 single bonds, 3 double bonds, 6 rotatable bonds, and 23 aromatic bonds.",Cc1ccc(C(=O)Nc2ccc(C(=O)c3ncc(CC(=O)[O-])c4ccccc34)cc2)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ketone group, and 1 nitro group.",[N-]=[N+]=NCCC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1
AddComponent,Modify the molecule NC(=O)C([NH2+]C1CCCCC1)c1cccc(F)c1 by adding a benzene ring.,NC(=O)C([NH2+]C1CCCCC1)c1ccc(-c2ccccc2)c(F)c1
SubComponent,Please substitute a CCNC(=[NH+]CC(CCO)CC(C)C)N1CC[NH+](CC(=O)N2CCCC2)CC1 in the molecule hydroxyl with a halo.,CCNC(=[NH+]CC(CCBr)CC(C)C)N1CC[NH+](CC(=O)N2CCCC2)CC1
DelComponent,Remove a benzene ring from the molecule COC(=O)C1(C)CC(C(=O)c2ccc(C)cc2)C(c2cccc(OC)c2)[NH2+]1.,COC(=O)C1(C)CC(C(=O)c2ccc(C)cc2)C(OC)[NH2+]1
LogP,Please modify the molecule CCOc1cc(C=C2SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OC(C)C to decrease its LogP value.,COc1ccccc1NC(=O)CN1C(=O)SC(=Cc2ccc(OC(C)C)c(OCCO)c2)C1=O
MR,Please modify the molecule CCN(C)C(=O)CNc1nc(Br)cs1 to decrease its MR value.,CCN(C)C(=O)Cc1nc(Br)cs1
QED,Modify the molecule CC1CCC(C#N)C(N(C)C(C)C(C)(C)C)C1 to increase its QED value.,CC1CC(O)C(C#N)C(N(C)C(C)C(C)(C)C)C1
AtomNum,"There is a molecule composed of 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CC(C)(C)n1ncc(C(=O)NCc2cccs2)c1C(F)(F)F
BondNum,"The molecule has 24 single bonds, 4 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCC(C(N)=O)C3)CC2)cc1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 1 amide group.",Cc1ccccc1C(=O)NCC1OCCc2cn(Cc3ccccc3)nc21
AddComponent,Please add a hydroxyl to the molecule CC(C1C=CC=C1P(c1ccc2ccccc2c1)c1ccc2ccccc2c1)P(C1CCCCC1)C(C)C1C=CC=C1P(c1ccc2ccccc2c1)c1ccc2ccccc2c1.,CC(C1C=CC=C1P(c1ccc2ccccc2c1)c1ccc2ccccc2c1)P(C1CCCC(O)C1)C(C)C1C=CC=C1P(c1ccc2ccccc2c1)c1ccc2ccccc2c1
SubComponent,Substitute a halo in the molecule C=NC(Nc1ccc(N2CCC([NH+]3CCN(C)CC3)CC2)cc1OC)=[NH+]C(Nc1cccc(C)c1P(C)(C)=O)=C(C)Cl with a thiol.,C=NC(Nc1ccc(N2CCC([NH+]3CCN(C)CC3)CC2)cc1OC)=[NH+]C(Nc1cccc(C)c1P(C)(C)=O)=C(C)S
DelComponent,Please remove a CCC1CCCN1S(=O)(=O)c1ccc(CO)cc1Br from the molecule benzene ring.,CCC1CCCN1S(=O)(=O)C(O)Br
LogP,Please optimize the molecule CN(C(N)=O)c1cccc(C(O)CC[NH3+])c1 to have a lower LogP value.,CN(C(N)=O)C(O)CC[NH3+]
MR,Modify the molecule Cc1cc(CC(=O)[O-])cc2c(CBr)csc12 to decrease its MR value.,Cc1csc2c(C)cc(CC(=O)[O-])cc12
QED,Please optimize the molecule NC(Nc1ccc2[nH]c3c(c2c1)CC1(O)C2Cc4ccc(O)c5c4C1(CC[NH+]2CC1CC1)C3O5)=[NH+]CCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NC1CC2Oc3c(O)ccc4c3C23CC[NH+](CC2CC2)C(C4)C3(O)C1 to have a lower QED value.,NC(Nc1ccc2[nH]c3c(c2c1)CC1(C(=O)[OH])C2Cc4ccc(O)c5c4C1(CC[NH+]2CC1CC1)C3O5)=[NH+]CCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NC1CC2Oc3c(O)ccc4c3C23CC[NH+](CC2CC2)C(C4)C3(O)C1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",Cc1ccc(SCCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1
BondNum,"The molecule is composed of 10 single bonds, 2 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",Cc1cccc(C)c1NC(=O)c1cncc(C(=O)NCCc2ccccc2)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 2 amine groups, and 1 halo group.",CCN(CC)C(=O)CCNc1ccc(F)cc1C(N)=S
AddComponent,Add a benzene ring to the molecule O=C(NCCCn1ccnc1-c1ccccc1)c1cc(Cl)cc(Cl)c1.,O=C(NC(CCn1ccnc1-c1ccccc1)c1ccccc1)c1cc(Cl)cc(Cl)c1
SubComponent,Modify the molecule halo by substituting a Cc1nc2c(N)nc(Cl)nc2n1C1OC(C)C(=O)C1O[Si](C(C)C)(C(C)C)C(C)C with a hydroxyl.,Cc1nc2c(N)nc(O)nc2n1C1OC(C)C(=O)C1O[Si](C(C)C)(C(C)C)C(C)C
DelComponent,Please remove a benzene ring from the molecule CC1CP(=O)(c2ccccc2)CC(C)[NH+]1CCCCCCO.,CC1C[PH](=O)CC(C)[NH+]1CCCCCCO
LogP,Optimize the molecule C=C(CC)CNc1ncncc1Cl to have a lower LogP value.,C=C(CNc1ncncc1Cl)C(C)O
MR,Modify the molecule CCn1c(CO)nnc1C1CC(NC(=O)Cn2nc3ccccc3n2)C1 to decrease its MR value.,CCn1c(C)nnc1C1CC(NC(=O)Cn2nc3ccccc3n2)C1
QED,Optimize the molecule CC1CC(C)OP(=O)(Oc2ccc(Br)cc2)O1 to have a lower QED value.,CC1CC(C)OP(=O)(Oc2ccccc2)O1
AtomNum,"Please generate a molecule composed of 34 carbon atoms, 1 sulfur atom, and 6 fluorine atoms.",CCc1c(C(F)(F)F)ccc(Sc2ccc(C(F)(F)F)c(CC)c2C#CC2CCCCC2)c1C#CC1CCCCC1
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, 8 rotatable bonds, and 18 aromatic bonds.",Cc1ccnc(Nc2cccc(-c3ccnc(NCCCNC(=O)[O-])c3)n2)c1
FunctionalGroup,The molecule consists of and 1 halo group.,CC1CC([NH3+])CC[NH+]1C1CCc2cc(Br)ccc21
AddComponent,Please add a amine to the molecule Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(C(=O)Nc3c(F)cccc3F)cc2C)CC1.,Cc1cc(C(=O)N2CCC(C)C(N)C2)ccc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(C(=O)Nc3c(F)cccc3F)cc2C)CC1
SubComponent,Modify the molecule halo by substituting a CC(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)S(C)=O with a nitro.,CC(CNC(=O)c1cc(NO)cc([N+](=O)[O-])c1N)S(C)=O
DelComponent,Modify the molecule benzene ring by removing a N#Cc1ccc(C2C=CNC(=S)C2C#N)cc1.,N#CC1C=CNC(=S)C1C#N
LogP,Please optimize the molecule Cc1cc2ccccc2nc1NCCOC1CC[NH2+]CC1 to have a higher LogP value.,Cc1cc2ccccc2nc1CCOC1CC[NH2+]CC1
MR,Please modify the molecule COc1ccc(C[NH2+]C(C)C2CCOC2)cc1C#N to increase its MR value.,COc1ccc(C[NH2+]C(C)C2CCOC2)cc1S
QED,Modify the molecule CC(C)CC(=O)N1CCC(CS(C)(=O)=O)CC1 to decrease its QED value.,CC1(C)CCC(CS(C)(=O)=O)CC1
AtomNum,"There is a molecule with 14 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC1(O)CCCN(C(=O)CCC2CCCO2)CC1
BondNum,"There is a molecule with 5 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",C=Cc1ccccc1C(Br)(Br)Br
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amine group.",CCc1ccccc1-n1c(N)nc2cccnc21
AddComponent,Add a aldehyde to the molecule O=C(Nc1cc(F)ccc1OCC1CCCO1)c1cccc(OCC(F)F)n1.,O=CCC(Oc1cccc(C(=O)Nc2cc(F)ccc2OCC2CCCO2)n1)C(F)F
SubComponent,Please substitute a hydroxyl in the molecule CCc1c(O)c(O)c(C(=O)[O-])c(CC)c1CC with a thiol.,CCc1c(S)c(O)c(C(=O)[O-])c(CC)c1CC
DelComponent,Please remove a amide from the molecule O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)NCc1ccccc1Cl.,O=C(CSc1nc(Cc2ccccc2Cl)cs1)c1ccc2c(c1)OCO2
LogP,Modify the molecule Nc1ccc(-c2csc(CCOc3ccccc3F)n2)cc1 to increase its LogP value.,Nc1ccc(-c2csc(C(COc3ccccc3F)c3ccccc3)n2)cc1
MR,Please optimize the molecule C=CCn1c(C)cc(C(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2F)c1C to have a higher MR value.,C=CCn1c(C)cc(C(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2S)c1C
QED,Please modify the molecule COCCSc1nnc(NC(=O)Cc2ccc(Br)cc2)s1 to increase its QED value.,COCCSc1nnc(NC(=O)Cc2ccccc2)s1
AtomNum,"The molecule contains 22 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Fc1cccc(CSc2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)c1
BondNum,"Please generate a molecule consisting 19 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)C(NC(=O)c1ccccn1)C(=O)N1CC2CCC[NH+]2CC1C
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 nitrile group.",CN(CCC#N)C(=O)C[NH2+]CC1C[NH+](C)CCO1
AddComponent,Please add a benzene ring to the molecule CCC[NH2+]C(C)(CC(C)n1nc(CC)nc1CC)C(=O)[O-].,CCc1nc(CC)n(C(C)CC(C)([NH2+]C(CC)c2ccccc2)C(=O)[O-])n1
SubComponent,Modify the molecule halo by substituting a Cc1cc(NC(=O)c2ccc(F)cc2F)ncc1Br with a hydroxyl.,Cc1cc(NC(=O)c2ccc(O)cc2F)ncc1Br
DelComponent,Remove a [C-]#[N+]c1ccc([N+](=O)[O-])cc1SCc1ccccc1 from the molecule benzene ring.,[C-]#[N+][SH](Cc1ccccc1)[N+](=O)[O-]
LogP,Please modify the molecule CNc1nc(-c2cc(F)cc(F)c2)nc2ccccc12 to decrease its LogP value.,CNc1nc(-c2cc(F)cc(F)c2)nc2cc(N)ccc12
MR,Please optimize the molecule COCCOc1cc2ncnc(Nc3ccc(OCc4cccc(OC)c4)c(C4=CC(=O)C=CC4=O)c3)c2cc1OC to have a lower MR value.,COCCOc1cc2ncnc(-c3ccc(OCc4cccc(OC)c4)c(C4=CC(=O)C=CC4=O)c3)c2cc1OC
QED,Modify the molecule Cn1cc(S(=O)(=O)NCC(O)(c2ccoc2)c2cccs2)cn1 to have a lower QED value.,Cn1cc(S(=O)(=O)NCC(O)(c2ccoc2)c2sccc2-c2ccccc2)cn1
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC(COc1cc2c(c3ccccc13)-c1ccccc1C2=O)[NH+](C)C
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CC(O)(CC(=O)NC1CCOc2ccccc21)c1ccccc1
FunctionalGroup,"Please generate a molecule consisting 4 benzene ring groups, 1 hydroxyl group, 3 amine groups, 3 halo groups, and 1 sulfone group.",CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Nc2cccc(C(N)=[NH+]O)c2)cc1
AddComponent,Modify the molecule O=C(OCCCCCCCCCCOC(=O)c1ccccc1)c1ccccc1 by adding a benzene ring.,O=C(OCCCCCCCCCCOC(=O)c1ccccc1-c1ccccc1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a C[NH2+]CC1CCc2cccc(Br)c2C1 with a nitrile.,C[NH2+]CC1CCc2cccc(C#N)c2C1
DelComponent,Modify the molecule benzene ring by removing a CC(C1=C(N)C([NH3+])=C1N(c1ccccc1)c1cccc2ccccc12)C(C)N(c1ccccc1)c1cccc2ccccc12.,CC(Nc1cccc2ccccc12)C(C)C1=C(N)C([NH3+])=C1N(c1ccccc1)c1cccc2ccccc12
LogP,Modify the molecule CCc1sc(C(=O)OCC(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1C to have a higher LogP value.,CCc1sc(C(=O)OC(C(=O)NCc2cc(OC)c(OC)c(OC)c2)c2ccccc2)cc1C
MR,Please modify the molecule C#CCNC(=O)C(C#N)CC1SC(CCNc2cccc(NC(=O)C[NH+]3CCC(C)CC3)c2)C(=O)N1CC to decrease its MR value.,C#CCNC(=O)C(C#N)CC1SC(CCNNC(=O)C[NH+]2CCC(C)CC2)C(=O)N1CC
QED,Please modify the molecule CC(O)CC1CCC[NH+]1Cc1ccccc1Cl to decrease its QED value.,CC(O)CC1CCC[NH+]1Cc1ccccc1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 4 fluorine atoms.",COCCC(C)C([NH3+])COCC(F)(F)C(F)F
BondNum,"Please generate a molecule with 18 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C1CCc2cc(N3CCC(O)(C(=O)NCCc4ccccc4F)C3=O)ccc2N1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 amine group.",CC(NC(=O)Cc1ccc(N)cc1)C1CCCC1
AddComponent,Modify the molecule CC(Oc1ccc(-c2nc(-c3cc(Cl)cnc3N)no2)cc1C(F)(F)F)C(F)(F)F by adding a benzene ring.,CC(Oc1ccc(-c2nc(-c3cc(Cl)c(-c4ccccc4)nc3N)no2)cc1C(F)(F)F)C(F)(F)F
SubComponent,Please substitute a CCN(CC)C(=O)c1cccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)CC2)C(C)C)c1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)C(C)C)CC1
DelComponent,Please remove a amine from the molecule Cc1ccc(NC(=O)C(C)N2C(=O)C(C)(C)Oc3ccc(N)nc32)cc1.,Cc1ccc(NC(=O)C(C)N2C(=O)C(C)(C)Oc3cccnc32)cc1
LogP,Modify the molecule CCOC(=O)CCCCCOc1ccc(Cl)cc1N to decrease its LogP value.,CCOC(=O)CCCCCONCl
MR,Modify the molecule CC(C(=O)[O-])(C(=O)c1ccc(OCC2COc3ccccc3O2)cc1)c1cccc2[nH]ccc12 to decrease its MR value.,CC(C(=O)[O-])(C(=O)OCC1COc2ccccc2O1)c1cccc2[nH]ccc12
QED,Please optimize the molecule CC1CCC(C(=O)NCC2(CCl)CCCCC2)CC1 to have a higher QED value.,CC1(C#N)CCC(C(=O)NCC2(CCl)CCCCC2)CC1
AtomNum,"Please generate a molecule with 32 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CCCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3cc(C)ccc3OC)C2c2cccc3ccccc23)c1
BondNum,"The molecule consists of 25 single bonds, 5 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(S(=O)(=O)NN=C2C=CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 halo group.",COc1ccc(C)cc1C(CC(=O)[O-])c1[nH]c(Br)c[nH+]1
AddComponent,Please add a amine to the molecule CC(C)(C)c1ccc2c(c1)C([NH3+])CC21CC1.,CC(C)(C)c1ccc2c(c1)C([NH3+])C(N)C21CC1
SubComponent,Substitute a CCN(CCO)C(=O)Cc1nc(CCl)cs1 in the molecule hydroxyl with a nitro.,CCN(CCNO)C(=O)Cc1nc(CCl)cs1
DelComponent,Remove a amine from the molecule C=C(C)C(=O)OCC(CCC)(COC(=O)C(=C)C)C(=O)OCCS(=O)(=O)ON.,C=C(C)C(=O)OCC(CCC)(COC(=O)C(=C)C)C(=O)OCCS(=O)(=O)O
LogP,Please optimize the molecule CC1C[NH+](Cc2oc3ccccc3c2C[NH3+])CCO1 to have a higher LogP value.,CC1C[NH+](Cc2oc3cc(-c4ccccc4)ccc3c2C[NH3+])CCO1
MR,Modify the molecule CNc1cnc(C[NH+]2CCN(C)C(C)C2)cn1 to decrease its MR value.,Cc1cnc(C[NH+]2CCN(C)C(C)C2)cn1
QED,Please modify the molecule CCc1ccc(C[NH2+]Cc2ccc(O)c(Br)c2)s1 to decrease its QED value.,CCc1ccc(C[NH2+]COBr)s1
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 chlorine atoms.",CC1CCCC[NH+]1CCCN1CCN(C(=O)C=Cc2ccc(Cl)c(Cl)c2)CCC1=O
BondNum,"The molecule consists of 4 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",Nc1ccccc1CS(=O)(=O)c1nc2ccccc2[nH]1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, and 1 sulfone group.",CCOc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCC2)cc1
AddComponent,Please add a amine to the molecule CC(C(=O)NC1CCCC1)[NH+]1CC2CCC(O)CC2C1.,CC(C(=O)NC1CCCC1)[NH+]1CC2CCC(N)(O)CC2C1
SubComponent,Substitute a halo in the molecule O=C(C=Cc1ccc(S(=O)(=O)Cl)cc1)NN1CCOCC1 with a aldehyde.,CC(=O)S(=O)(=O)c1ccc(C=CC(=O)NN2CCOCC2)cc1
DelComponent,Please remove a benzene ring from the molecule Cc1[nH]c(-c2ccc(C(=O)CCC(=O)[O-])cc2)c[nH+]1.,Cc1[nH]c(C(=O)CCC(=O)[O-])c[nH+]1
LogP,Please optimize the molecule C=C(C)CCC(O)c1cc(C)nn1C to have a higher LogP value.,C=C(C)CCCc1cc(C)nn1C
MR,Please optimize the molecule CC(CC(N)=O)N(C)C(=O)OC(C)(C)C to have a lower MR value.,CCN(C)C(=O)OC(C)(C)C
QED,Please modify the molecule CCCC1[NH2+]C(CC)N(CCCC[NH+](C)C(C)C)C1=O to decrease its QED value.,CCCC1[NH2+]C(CC)N(CCCC[NH+](C)C(C)Cc2ccccc2)C1=O
AtomNum,"The molecule is composed of 16 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CC(C)Oc1cncc(NCCn2c(=O)[nH]c3ccccc32)n1
BondNum,"There is a molecule composed of 14 single bonds, 3 double bonds, 6 rotatable bonds, and 22 aromatic bonds.",O=C(CCCn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ester group, and 2 amine groups.",Nc1cccc(C2OC(=O)c3ccccc32)c1N
AddComponent,Modify the molecule C=C([NH2+]C)OC1(C)C(=O)N(C2CC[NH+](C3Cc4cccc5cccc3c45)CC2)c2ccccc21 by adding a benzene ring.,C=C([NH2+]C)OC1(C)C(=O)N(C2CC[NH+](C3Cc4cc(-c5ccccc5)cc5cccc3c45)CC2)c2ccccc21
SubComponent,Substitute a halo in the molecule CC(C)(C)OC(=O)NC1(CNc2nonc2-c2noc(=O)n2-c2ccc(F)c(Br)c2)CC1 with a thiol.,CC(C)(C)OC(=O)NC1(CNc2nonc2-c2noc(=O)n2-c2ccc(S)c(Br)c2)CC1
DelComponent,Modify the molecule benzene ring by removing a CCOC(=O)CC(C)c1ccc(OCOCC[Si](C)(C)C)cc1Cl.,CCOC(=O)CC(C)(Cl)OCOCC[Si](C)(C)C
LogP,Please modify the molecule Nc1cc(I)c(F)cc1Nc1cc(F)cc(F)c1 to decrease its LogP value.,N#Cc1cc(N)c(Nc2cc(F)cc(F)c2)cc1F
MR,Please optimize the molecule COc1ccc(OC)c(S(=O)(=O)N2CCOC(C[NH3+])C2)c1 to have a higher MR value.,COc1ccc(OC)c(S(=O)(=O)N2CC(C[NH3+])OCC2c2ccccc2)c1
QED,Modify the molecule COc1ccc(-c2cc(CCl)c(C(F)(F)F)o2)cc1F to have a higher QED value.,COc1ccc(-c2cc(CNO)c(C(F)(F)F)o2)cc1F
AtomNum,"There is a molecule composed of 18 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 chlorine atoms.",[NH3+]Cc1ccc(C(=O)N2CCCC2c2ccc(Cl)c(Cl)c2)cc1
BondNum,"Please generate a molecule composed of 12 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CN(C)c1cccc(C(=O)NCC2CC([NH3+])C2)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 nitrile group.",COc1cc(C[NH2+]CC2CCOCC2)ccc1C#N
AddComponent,Modify the molecule Cc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)Nc1cc(C(C)(C)C)no1 by adding a benzene ring.,Cc1cc(-c2ccccc2)cc(C)c1NC(=O)C[NH+](C)CC(=O)Nc1cc(C(C)(C)C)no1
SubComponent,Please substitute a CC1CCCC(C)N1C(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br in the molecule halo with a nitro.,CC1CCCC(C)N1C(=O)c1nn2c(C(F)(F)NO)cc(-c3cccs3)nc2c1Br
DelComponent,Modify the molecule benzene ring by removing a CCN(CC)c1cccc(C(CC(=O)[O-])C2CC2)c1.,CCN(CC)C(CC(=O)[O-])C1CC1
LogP,Modify the molecule O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 to have a lower LogP value.,O=C(COc1ccc(O)cc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1
MR,Modify the molecule COCc1nc(Cl)cc(Oc2cc(F)ccc2Br)n1 to decrease its MR value.,COCc1nc(O)cc(Oc2cc(F)ccc2Br)n1
QED,Please optimize the molecule CCOC(=O)CCC(=O)N1CC(=O)NC(=O)C1CC to have a higher QED value.,CCOC(=O)CC(C(=O)N1CC(=O)NC(=O)C1CC)c1ccccc1
AtomNum,"The molecule is composed of 8 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",O=C([O-])CNC(=O)C=C1CCC1
BondNum,"There is a molecule composed of 14 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCC[NH+]1CCCCC1c1ccc(SC(C)C)nc1
FunctionalGroup,"There is a molecule with 1 ester group, 1 halo group, and 1 sulfide group.",COC(=O)Cc1[nH]c2ccc3ccsc3c2c1I
AddComponent,Please add a carboxyl to the molecule CCCCCC=CCC=CCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCCCC.,CCCCCC=CCC=CCCCCCCC(CCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCCCC)C(=O)O
SubComponent,Modify the molecule Cc1c(Br)cccc1C(=O)C(C#N)c1cccc(F)c1 by substituting a halo with a nitro.,Cc1c(NO)cccc1C(=O)C(C#N)c1cccc(F)c1
DelComponent,Modify the molecule CCC[NH2+]C1CC(c2ccc(Br)s2)C1CC by removing a halo.,CCC[NH2+]C1CC(c2cccs2)C1CC
LogP,Modify the molecule Cc1cc(Br)c(C(Br)c2cccc(C)c2I)cc1Br to decrease its LogP value.,Cc1cc(C#N)c(C(Br)c2cccc(C)c2I)cc1Br
MR,Modify the molecule C=c1[nH]n(-c2ccc(S(=O)(=O)ON)cc2)c(=O)c1=Cc1ccc(N(C)C)cc1 to have a lower MR value.,C=c1[nH]n(-c2ccc(S(=O)(=O)O)cc2)c(=O)c1=Cc1ccc(N(C)C)cc1
QED,Optimize the molecule CC(=O)Nc1ccc(F)c(O)c1C=O to have a lower QED value.,CC(=O)Nc1cccc(O)c1C=O
AtomNum,"The molecule consists of 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",C[NH+](C)CCNC(=O)c1cccc(-c2ccc(N)cc2)c1
BondNum,"Please generate a molecule with 16 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 12 aromatic bonds.",CC(C)(C)c1c(Br)c(=O)nc(N2CCCC([NH3+])C2)n1Cc1ccccc1C#N
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",Cc1ccc(Cl)c(C([NH3+])C(=O)[O-])c1O
AddComponent,Please add a carboxyl to the molecule CC1(C)COP(=O)(OCC(CCl)(CCl)COP2(=O)OCC(C)(C)CO2)OC1.,CC1(C)COP(=O)(OCC(CCl)(CCl)COP2(=O)OCC(C)(CC(=O)O)CO2)OC1
SubComponent,Substitute a hydroxyl in the molecule CC(C)(C)OCC[NH+]1CC(CO)C1 with a carboxyl.,CC(C)(C)OCC[NH+]1CC(CC(=O)[OH])C1
DelComponent,Please remove a CCOC(=O)c1c(NC(=O)Cc2ccc(C)c(C)c2)sc(C)c1C from the molecule benzene ring.,CCOC(=O)c1c(NC(=O)C(C)C)sc(C)c1C
LogP,Please modify the molecule O=C1CNc2nnc3c4c(C(F)(F)F)cccc4nc-3n21 to decrease its LogP value.,O=C1CNc2nnc3c4c(C(F)(F)S)cccc4nc-3n21
MR,Please modify the molecule Cc1nn(C)c(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 to decrease its MR value.,Cc1nn(C)c(C)c1OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1
QED,Optimize the molecule CC[NH+](C)CCOc1ccc(-n2ccc(OCc3ccc(Cl)cn3)cc2=O)cc1 to have a higher QED value.,CC[NH+](C)CCOc1ccc(-n2ccc(OCc3ccc(C#N)cn3)cc2=O)cc1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",O=C(CNC(=O)C=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)CC1CC1
BondNum,"Please generate a molecule consisting 5 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(CS(=O)c2ccc(C)cc2)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 sulfide group.",Cc1cc2nc3sc(=Cc4ccc(OCc5cccc6ccccc56)cc4)c(=O)n3c2cc1C
AddComponent,Add a hydroxyl to the molecule F[B-](F)(F)C(c1ccccc1)C(F)(F)F.,Oc1ccccc1C([B-](F)(F)F)C(F)(F)F
SubComponent,Substitute a hydroxyl in the molecule CCCCCC(O)C(=CC1C=CC(=O)C1CCCCCCC(=O)[O-])c1ccccc1 with a halo.,CCCCCC(Br)C(=CC1C=CC(=O)C1CCCCCCC(=O)[O-])c1ccccc1
DelComponent,Remove a FC(F)(F)c1cccc(-n2cncn2)c1 from the molecule halo.,FC(F)c1cccc(-n2cncn2)c1
LogP,Please modify the molecule CCCc1nc(Br)cc(N2CCC(C)(O)CC2)n1 to increase its LogP value.,CC1(O)CCN(c2cc(Br)nc(CCCc3ccccc3)n2)CC1
MR,Optimize the molecule COc1ccc(C2=CC(=O)C(Br)Oc3c2cc(OC)c(OC)c3OC)cc1OSC to have a lower MR value.,COc1ccc(C2=CC(=O)COc3c2cc(OC)c(OC)c3OC)cc1OSC
QED,Please modify the molecule CC1=C(C(O)CCC(=Cc2cc(Br)ccc2O)c2ccccc2)C(CO)C2C(=O)N(C3CCCCC3)C(=O)C2C1 to decrease its QED value.,CC1=C(C(CCC(=Cc2cc(Br)ccc2O)c2ccccc2)C(=O)[OH])C(CO)C2C(=O)N(C3CCCCC3)C(=O)C2C1
AtomNum,"There is a molecule consisting of 18 carbon atoms, and 2 oxygen atoms.",COc1cccc(-c2cc(-c3ccccc3)c(C)o2)c1
BondNum,"There is a molecule with 14 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COC(=O)CC(C)OC(=O)c1cc(-c2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-]
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 2 amine groups, and 1 halo group.",COn1c(NC(C)c2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)COc1ccc(N)cc1)CC2
AddComponent,Modify the molecule COc1ccc(-n2nnc(N)c2C(C)(C)C)c([N+](=O)[O-])c1 by adding a amine.,COc1ccc(-n2nnc(N)c2C(C)(C)CN)c([N+](=O)[O-])c1
SubComponent,Substitute a C[NH2+]C(COC)Cc1ccc([N+](=O)[O-])cc1C(F)F in the molecule halo with a carboxyl.,C[NH2+]C(COC)Cc1ccc([N+](=O)[O-])cc1C(F)C(=O)[OH]
DelComponent,Please remove a CN(Cc1cc([N+](=O)[O-])ccc1N)CC(F)(F)F from the molecule amine.,CN(Cc1cccc([N+](=O)[O-])c1)CC(F)(F)F
LogP,Modify the molecule Cc1nn(-c2ccncc2)cc1CN1CCCc2[nH]ncc21 to have a higher LogP value.,Cc1nn(-c2ccncc2)cc1CN1CC(c2ccccc2)Cc2[nH]ncc21
MR,Modify the molecule COc1ccccc1C(O)(c1ccccc1OC)C([NH3+])c1ccccc1 to have a higher MR value.,COc1ccccc1C(C(=O)[OH])(c1ccccc1OC)C([NH3+])c1ccccc1
QED,Modify the molecule COc1cccc(-c2cc(-c3ccccc3)nc(SC(C)C(=O)Nc3ccc(C(=O)C=Cc4cccs4)cc3)c2C#N)c1 to decrease its QED value.,COc1cccc(-c2cc(-c3ccccc3)nc(SC(C)C(=O)Nc3ccc(C(=O)C=Cc4cccs4)cc3)c2I)c1
AtomNum,"The molecule contains 16 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 bromine atom.",COCc1nc(-c2ccc(C(C)(C)C)cc2)nc(N)c1Br
BondNum,"There is a molecule with 20 single bonds, 1 double bond, and 1 rotatable bond.",CC(=O)OC1CC2CON(C)C2C2OC(C)(C)OC12
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, and 2 halo groups.",Cc1cc(I)ccc1NC(=O)C1CC[NH+](Cc2nc(-c3ccc(Br)cc3)no2)CC1
AddComponent,Please add a amine to the molecule Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2ccc(F)c(NC(=O)c3ccccc3F)c2)CC1.,Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2ccc(F)c(NC(=O)c3ccccc3F)c2)C(N)C1
SubComponent,Modify the molecule halo by substituting a CCC(C)[NH2+]CCOc1ccc(OC(F)(F)F)c(Br)c1 with a thiol.,CCC(C)[NH2+]CCOc1ccc(OC(F)(F)S)c(Br)c1
DelComponent,Please remove a COC(=O)c1sc(N(CC2CC2)CC2CC2)nc1Cl from the molecule halo.,COC(=O)c1cnc(N(CC2CC2)CC2CC2)s1
LogP,Modify the molecule CCCCc1ccc(S(=O)(=O)Nc2cc(CCCOC)nn2-c2ccccc2C)cc1 to have a higher LogP value.,CCCCc1ccc(S(=O)(=O)c2cc(CCCOC)nn2-c2ccccc2C)cc1
MR,Modify the molecule C=C(O)c1sc(-c2ccccc2)cc1N(C(=C)C1CCC(C)CC1)C(C)C[NH3+] to decrease its MR value.,C=Cc1sc(-c2ccccc2)cc1N(C(=C)C1CCC(C)CC1)C(C)C[NH3+]
QED,Modify the molecule CC1CCC(C[NH3+])N(CC(N)=O)C1C to decrease its QED value.,CC1CCC(C[NH3+])NC1C
AtomNum,"The molecule has 18 carbon atoms, 3 oxygen atoms, and 1 bromine atom.",CCc1ccc(Br)cc1C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O
BondNum,"The molecule is composed of 18 single bonds, 2 double bonds, and 14 rotatable bonds.",CCCCCCCCCCCCS(=O)(=O)CC[Sn](C)(C)C
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 2 halo groups.",O=C(NCC1CCCCO1)c1cc(Cl)cc(Br)c1
AddComponent,Modify the molecule Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(CC(=O)[O-])ccc2n1 by adding a carboxyl.,Nc1nc(C(=O)N2Cc3ccc(C(=O)O)cc3C2)c2cc(CC(=O)[O-])ccc2n1
SubComponent,Please substitute a hydroxyl in the molecule CCC1(CC)NC(=O)N(CC(O)COc2ccc(C(C)(C)c3ccccc3)cc2)C1=O with a nitro.,CCC1(CC)NC(=O)N(CC(COc2ccc(C(C)(C)c3ccccc3)cc2)NO)C1=O
DelComponent,Modify the molecule benzene ring by removing a Cc1cc(N)nc(Nc2ccc(Nc3ccccc3)cc2)n1.,Cc1cc(N)nc(NNc2ccccc2)n1
LogP,Modify the molecule COc1ccc(Br)c(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 to increase its LogP value.,COc1ccc(Br)c(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2c2ccccc2)c1
MR,Please modify the molecule C[Si](C)(C)OP(=O)(OCO)OCOP(=O)(OCO)O[Si](C)(C)C to decrease its MR value.,C[Si](C)(C)OP(=O)(OCO)OCOP(=O)(OCF)O[Si](C)(C)C
QED,Optimize the molecule [NH3+]C1CC([NH2+]CCc2ccc(F)cc2)C1 to have a lower QED value.,CC(=O)c1ccc(CC[NH2+]C2CC([NH3+])C2)cc1
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",O=C(NCc1nc2ccccc2[nH]1)c1cc(C2CC2)on1
BondNum,"Please generate a molecule consisting 11 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(C2OC(=O)N(C)C2C[NH3+])c(C)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 nitrile groups.",CCCCN1C2=C(C=CC(=C(C#N)C#N)c3ccccc3)CCCC2(C)c2ccccc21
AddComponent,Add a benzene ring to the molecule CC1CCC(CNC(=O)c2nn(C)cc2N)CC1.,Cn1cc(N)c(C(=O)NCC2CCC(Cc3ccccc3)CC2)n1
SubComponent,Please substitute a CC(CNc1cccc(-c2cccc(C(=O)[O-])n2)c1)[NH2+]CC(O)c1cccc(Cl)c1 in the molecule hydroxyl with a carboxyl.,CC(CNc1cccc(-c2cccc(C(=O)[O-])n2)c1)[NH2+]CC(C(=O)[OH])c1cccc(Cl)c1
DelComponent,Please remove a COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 from the molecule benzene ring.,COCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S
LogP,Optimize the molecule CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2F)c1 to have a higher LogP value.,CCCC(C(=O)NCc1ccc2c(cnn2-c2ccccc2F)c1)C(CC)c1ccccc1
MR,Optimize the molecule COc1ccc(N2CCN(c3ccc4ccccc4n3)CC2)cc1F to have a higher MR value.,COc1ccc(N2CCN(c3ccc4ccccc4n3)CC2)cc1
QED,Modify the molecule CN1CCN(C(=O)CC[NH2+]C2CC2)c2ccccc21 to decrease its QED value.,CN1CC(C[NH2+]C2CC2)c2ccccc21
AtomNum,"There is a molecule composed of 22 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",Cc1ccc(Cl)c2sc(N(CC3CCCO3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12
BondNum,"There is a molecule with 23 single bonds, 2 double bonds, 1 triple bond, and 11 rotatable bonds.",CCCC#CCCCC1CCC(=O)C1CCCCC(C)(C)C(O)C(=O)[O-]
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1ccccc1NC(=O)c1ccc(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NCC(C)C)c3)CC2)cc1Cl
AddComponent,Modify the molecule Nn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccnc1 by adding a benzene ring.,Nn1c(SC(C(=O)NCCc2ccccc2)c2ccccc2)nnc1-c1cccnc1
SubComponent,Substitute a hydroxyl in the molecule CC1C(C[NH+]2CCCC2C(=O)OC(C)(C)C)OC(c2ccc(-c3cccc(CNC(=O)Nc4ccc(Oc5ccccc5)cc4)c3)cc2)OC1c1ccc(CO)cc1 with a nitro.,CC1C(C[NH+]2CCCC2C(=O)OC(C)(C)C)OC(c2ccc(-c3cccc(CNC(=O)Nc4ccc(Oc5ccccc5)cc4)c3)cc2)OC1c1ccc(CNO)cc1
DelComponent,Please remove a hydroxyl from the molecule CCC(C)C[NH+](C)CCCC(O)(CC)C[NH3+].,CCC(C)C[NH+](C)CCCC(CC)C[NH3+]
LogP,Optimize the molecule CSc1cc(NCC2CCC(Cl)C2)ncn1 to have a lower LogP value.,CSc1cc(NCC2CC(Cl)CC2N)ncn1
MR,Optimize the molecule Clc1cc(Cl)cc([N+]2=Cc3cccc4ccn(c34)C2)c1 to have a lower MR value.,Oc1cc(Cl)cc([N+]2=Cc3cccc4ccn(c34)C2)c1
QED,Optimize the molecule C=C=C(F)C(F)C(F)(C(F)(F)F)C(F)(F)F to have a higher QED value.,C=C=C(F)C(F)C(F)(C(F)F)C(F)(F)F
AtomNum,"The molecule contains 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CC(C)(CO)NC(=S)NCCc1cccc(Cl)c1
BondNum,"The molecule has 13 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 16 aromatic bonds.",Cc1cc2nc(C)c(CCC(=O)OC(C)C(=O)Nc3cccc(C#N)c3)c(C)n2n1
FunctionalGroup,The molecule has and 1 sulfide group.,CCN(CC)CC[NH2+]Cc1cccn1-c1nccs1
AddComponent,Add a benzene ring to the molecule CC(C)(CNC(=O)C([NH3+])C1CCOCC1)c1cccc(C(F)(F)F)c1.,CC(C)(CNC(=O)C([NH3+])C1CCOC(c2ccccc2)C1)c1cccc(C(F)(F)F)c1
SubComponent,Modify the molecule halo by substituting a COc1c(C)cnc(CC(=O)c2ccc(C)c(Br)c2)c1C with a nitrile.,COc1c(C)cnc(CC(=O)c2ccc(C)c(C#N)c2)c1C
DelComponent,Modify the molecule O=C(NCc1ccc(OC(F)F)cc1)C1CCCN(C(=O)c2ccc(F)cc2)C1 by removing a halo.,O=C(NCc1ccc(OCF)cc1)C1CCCN(C(=O)c2ccc(F)cc2)C1
LogP,Please optimize the molecule CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)C)c(C)c3)C2c2ccc(C(=O)OC)cc2)cc1OC to have a higher LogP value.,CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)C)c(C)c3)C2c2ccc(C(=O)OC)cc2)cc1OCc1ccccc1
MR,Please optimize the molecule O=C(NNC(=S)Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1 to have a higher MR value.,O=C(NNC(=S)Nc1ccc(OC(O)F)cc1)c1ccc(F)cc1
QED,Modify the molecule O=C(NCc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)Cc1ccccc1 to have a higher QED value.,O=C(NC(Cc1ccccc1)C(O)c1ccccc1)C(Cc1ccccc1)Cc1ccccc1
AtomNum,"Please generate a molecule with 24 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",COc1cccc(-c2ccc3nc(C4CCN(C(=O)c5cccn5C)CC4)nn3c2)c1
BondNum,"The molecule is composed of 9 single bonds, 6 rotatable bonds, and 17 aromatic bonds.",CCCNc1nc(-c2ccccc2SCC)nc2cc(C)ccc12
FunctionalGroup,The molecule contains and 2 amide groups.,CCCCN(CCC(=O)NCCC[NH+]1CCCCC1C)C(=O)c1cnc(C)cn1
AddComponent,Please add a thiol to the molecule CCC1CCCN(c2ncnc3cc(N)ccc23)CC1.,CCC1CCCN(c2ncnc3cc(N)ccc23)C(S)C1
SubComponent,Substitute a halo in the molecule O=C([O-])CCc1c(C2(c3ccccc3Cl)CCC2)nn2c1NCCC2 with a hydroxyl.,O=C([O-])CCc1c(C2(c3ccccc3O)CCC2)nn2c1NCCC2
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1NC(=O)c1ccco1.,CN(C(=O)c1ccco1)C(=O)N1CCN(CCS(C)(=O)=O)CC1
LogP,Optimize the molecule Cc1ccc(C#CC[NH3+])c(C(=O)NCc2ccncc2)c1 to have a higher LogP value.,Cc1c-c(C#CC[NH3+])(Cc2ccncc2)cc1
MR,Optimize the molecule Cc1sc(N(Cc2ccc(Cl)c(Cl)c2)c2ccc(C#N)cc2)nc1C(=O)NS(C)(=O)=O to have a lower MR value.,Cc1sc(N(Cc2ccc(C#N)c(Cl)c2)c2ccc(C#N)cc2)nc1C(=O)NS(C)(=O)=O
QED,Optimize the molecule CCC(Nc1ccccc1C)(C(N)=O)c1ccc(F)cc1 to have a lower QED value.,CCC(Nc1ccccc1C)(C(N)=O)c1ccc(NO)cc1
AtomNum,"There is a molecule composed of 17 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1ccccc1NCc1c(C)oc2ccccc12
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",CC(=O)Nc1ccc(NC(=O)C[NH+]2CCCC2c2cccn2C)cc1
FunctionalGroup,"Please generate a molecule composed of 2 halo groups, and 3 sulfide groups.",C[NH2+]C(c1cc2sccc2s1)c1cc(Br)sc1Br
AddComponent,Please add a hydroxyl to the molecule Cn1c(CCO)nc(Br)c1-c1ccccn1.,OCCc1nc(Br)c(-c2ccccn2)n1CO
SubComponent,Modify the molecule halo by substituting a COC(=O)C1C(C)=Nc2c(c(-c3ccccc3)nn2C)C1c1ccc(F)cc1 with a thiol.,COC(=O)C1C(C)=Nc2c(c(-c3ccccc3)nn2C)C1c1ccc(S)cc1
DelComponent,Please remove a halo from the molecule OCCc1noc2c(Cl)cc(Cl)cc12.,OCCc1noc2ccc(Cl)cc12
LogP,Optimize the molecule O=C([O-])c1ccccc1OCCN1CC[NH+](Cc2cccnc2-c2ccc(Cl)cc2)CC1 to have a higher LogP value.,O=C([O-])c1ccccc1OCCN1CC[NH+](Cc2cccnc2-c2ccc(Cl)cc2)CC1c1ccccc1
MR,Please modify the molecule CN(CC(=O)NCc1ccco1)c1ccccc1 to increase its MR value.,CN(CC(=O)NC(CC=O)c1ccco1)c1ccccc1
QED,Please modify the molecule Brc1cccc(Oc2nc(-c3ccncc3)nc3ccccc23)c1 to increase its QED value.,BrOc1nc(-c2ccncc2)nc2ccccc12
AtomNum,"Please generate a molecule with 25 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(C(Cc2ccccc2)[NH2+]CC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC
BondNum,"The molecule has 5 single bonds, 2 rotatable bonds, and 10 aromatic bonds.",COc1csc2c(C)ccc(CCl)c12
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 hydroxyl group, 1 amide group, 1 amine group, 3 halo groups, and 2 sulfide groups.",CN1C(=C2SC(=[NH+]c3cccc(C(F)(F)F)c3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21
AddComponent,Modify the molecule CCCCCCCCCC(C)C(C)[NH3+] by adding a benzene ring.,CCC(CCCCCCC(C)C(C)[NH3+])c1ccccc1
SubComponent,Substitute a halo in the molecule CCCCc1nc(Cl)c(C[NH+]2CCC3(CC2)C(=O)NCCC[NH+]3C)[nH]1 with a nitro.,CCCCc1nc(NO)c(C[NH+]2CCC3(CC2)C(=O)NCCC[NH+]3C)[nH]1
DelComponent,Please remove a benzene ring from the molecule CC[NH2+]C(c1ncc[nH]1)c1cc(C)ccc1C.,CC[NH2+]C(C)(C)c1ncc[nH]1
LogP,Optimize the molecule CC=CC(=O)OCc1cc(C)ccc1-c1ccc(OCCO)cc1 to have a higher LogP value.,CC=CC(=O)OCc1cc(C)ccc1-c1ccc(OCCS)cc1
MR,Modify the molecule Cc1cccc(NC(=O)CN2C(=O)NC(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)c1 to decrease its MR value.,Cc1cccc(NC(=O)CN2C(=O)NC(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)c1
QED,Please optimize the molecule COc1cc(N(C)C(=O)Nc2cccc(Cl)c2)ccc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 to have a lower QED value.,COc1cc(N(C)C(=O)Nc2cccc(C(=O)[OH])c2)ccc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1
AtomNum,"There is a molecule composed of 24 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CC[NH+](CC)CCCNC(=O)c1cc(Nc2cccc(SC)c2)nc2ccccc12
BondNum,"There is a molecule consisting of 6 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(NC(=O)c2nnc(-c3ccc(Cl)cc3)o2)cc1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, and 1 halo group.",CC(O)C1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1
AddComponent,Modify the molecule CCc1ccccc1N1C(=O)SC(=Cc2ccc(F)cc2)C1=O by adding a hydroxyl.,CCc1c(O)cccc1N1C(=O)SC(=Cc2ccc(F)cc2)C1=O
SubComponent,Modify the molecule halo by substituting a Cc1nc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)cc(N2CCCCC2)n1 with a aldehyde.,CC(=O)c1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)c1
DelComponent,Please remove a Nc1ccc(C(F)(F)F)cc1C(O)CCCC1CCCO1 from the molecule halo.,Nc1ccc(C(F)F)cc1C(O)CCCC1CCCO1
LogP,Please optimize the molecule COc1cccc(C2=NC(C(C)C)[NH2+]C(c3ccccc3O)C2)c1 to have a higher LogP value.,COc1cccc(C2=NC(C(C)C)[NH2+]C(c3ccccc3NO)C2)c1
MR,Please optimize the molecule COC(=O)Cc1cccccccccc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)ccc1 to have a lower MR value.,COC(=O)Cc1cccccccccc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OC)ccc1
QED,Please optimize the molecule CCOC(=O)N1CCN(C(=O)c2cc(N(C)c3ccccc3)ncn2)CC1 to have a higher QED value.,CCOC(=O)N1CCN(C(=O)c2cc(NC)ncn2)CC1
AtomNum,"The molecule has 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",COC1CCCCC1(C[NH3+])N1CCCOC(C)C1
BondNum,"Please generate a molecule composed of 10 single bonds, 2 double bonds, 1 triple bond, 4 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C#CC[NH3+])cc1NS(=O)(=O)C(C)C
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 halo group.",Cc1cc(NC(=O)c2ccoc2Br)ccn1
AddComponent,Modify the molecule COc1cccc(CC[NH2+]CC(O)Cn2cccn2)c1 by adding a benzene ring.,COc1cccc(CC[NH2+]CC(O)Cn2nccc2-c2ccccc2)c1
SubComponent,Please substitute a halo in the molecule COCc1ccc(CNC2CCCCC2C(F)(F)F)cc1 with a aldehyde.,CC(=O)C(F)(F)C1CCCCC1NCc1ccc(COC)cc1
DelComponent,Remove a hydroxyl from the molecule CCc1nn(C)c(CC(O)c2cc(F)ccc2Br)c1Cl.,CCc1nn(C)c(CCc2cc(F)ccc2Br)c1Cl
LogP,Modify the molecule CC(=O)NC1CCN(S(=O)(=O)c2ccccc2Br)CC1 to decrease its LogP value.,CC(=O)NC1CCN(S(=O)(=O)c2ccccc2O)CC1
MR,Optimize the molecule CCOC(=O)c1ccc(OC2(F)C(F)(F)C(F)(F)C2(F)Oc2ccc(C(=O)OCC)cc2)cc1 to have a lower MR value.,CCOC(=O)c1ccc(OC2C(F)(F)C(F)(F)C2(F)Oc2ccc(C(=O)OCC)cc2)cc1
QED,Modify the molecule CCCCC(=O)N1CCOC(c2ccccc2Cl)C1 to decrease its QED value.,CC(=O)c1ccccc1C1CN(C(=O)CCCC)CCO1
AtomNum,"The molecule consists of 14 carbon atoms, 2 nitrogen atoms, and 4 sulfur atoms.",c1ccc(CSC2=NCCS2)c(CSC2=NCCS2)c1
BondNum,"There is a molecule composed of 5 single bonds, 1 double bond, 4 rotatable bonds, and 28 aromatic bonds.",O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccc2ccccc12
FunctionalGroup,"Please generate a molecule consisting 4 benzene ring groups, 2 ketone groups, and 6 halo groups.",O=C(c1ccc(Br)cc1)c1cc(F)c(OCc2nnc(COc3c(F)cc(C(=O)c4ccc(Br)cc4)cc3Cl)o2)c(Cl)c1
AddComponent,Add a benzene ring to the molecule CCC(C)N(CC(=O)[O-])C(=O)c1ccc(Br)c(Cl)c1.,CCC(C)N(CC(=O)[O-])C(=O)c1ccc(Br)c(Cl)c1-c1ccccc1
SubComponent,Please substitute a halo in the molecule CC(C)N(C(=O)C=Cc1cccc(Cl)c1)C1CCCC1 with a nitro.,CC(C)N(C(=O)C=Cc1cccc(NO)c1)C1CCCC1
DelComponent,Please remove a C[NH+]1CCN(c2nc(N)nc3c2OCc2ccccc2-3)CC1 from the molecule amine.,C[NH+]1CCN(c2ncnc3c2OCc2ccccc2-3)CC1
LogP,Modify the molecule CC(C)OCCCNC(=O)C1CC[NH+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 to decrease its LogP value.,CC(C)OCCCNC(=O)C1CC[NH+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)CN)no2)CC1
MR,Please optimize the molecule OC1=CC=C2C(=CC=Cc3cc(O)ccc32)C1 to have a lower MR value.,Oc1ccc2c(c1)C=CC=C1CC=CC=C12
QED,Please modify the molecule OCC1CCC2Sc3ncnc(NC4CCC([NH+]5CCOCC5)CC4)c3C2C1 to decrease its QED value.,SCC1CCC2Sc3ncnc(NC4CCC([NH+]5CCOCC5)CC4)c3C2C1
AtomNum,"The molecule is composed of 20 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Cc1ccc(Nc2n[nH]nc2C(=O)NCCCc2ccccc2)cc1C
BondNum,"The molecule consists of 8 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",Cc1cc(Cl)cc(-c2nnc(COCC(=O)[O-])o2)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",OCC1CCC[NH2+]C1Cc1ccc(F)cc1
AddComponent,Please add a hydroxyl to the molecule CNC(=O)Oc1ccccc1C1OCC=CCO1.,CNC(=O)Oc1ccccc1C1(O)OCC=CCO1
SubComponent,Please substitute a halo in the molecule Nc1cc(-c2[nH]nc3nc(N4CCC(O)(C[NH3+])CC4)cnc23)c(Cl)cn1 with a aldehyde.,CC(=O)c1cnc(N)cc1-c1[nH]nc2nc(N3CCC(O)(C[NH3+])CC3)cnc12
DelComponent,Please remove a halo from the molecule OC(Cc1cncc(Br)c1)c1ncccn1.,OC(Cc1cccnc1)c1ncccn1
LogP,Modify the molecule O=C(c1ccco1)N1CCC2C(CCC(=O)N2Cc2cccc(F)c2)C1 to have a lower LogP value.,O=C(c1ccco1)N1CCC2C(CCC(=O)N2Cc2ccccc2)C1
MR,Optimize the molecule O=C([O-])C=Cc1cccc(CSc2ncccn2)c1 to have a higher MR value.,O=C([O-])C=Cc1cccc(C(Sc2ncccn2)c2ccccc2)c1
QED,Please optimize the molecule Nc1cc(Cl)cc(C(=O)N2CCCc3ccccc32)c1 to have a lower QED value.,O=C(c1cccc(Cl)c1)N1CCCc2ccccc21
AtomNum,"Please generate a molecule with 16 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 2 chlorine atoms.",COc1cc(Cl)c(Cl)cc1C(=O)N1CCOC(C[NH+](C)CC(=O)[O-])C1
BondNum,"There is a molecule composed of 8 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C(=O)CC(=O)c1ccccc1I
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 halo group.",COc1cc(C2=NC(C(C)C)CO2)c(I)c(C2=NC(C(C)C)CO2)c1
AddComponent,Modify the molecule CSc1ccc(C(=O)NCc2ccc(CCl)cc2)cc1 by adding a benzene ring.,CSc1ccc(C(=O)NCc2ccc(CCl)c(-c3ccccc3)c2)cc1
SubComponent,Please substitute a nitrile in the molecule CC(OC(=O)CCNC(=O)c1ccsc1)C(=O)Nc1ccc(C#N)c(Cl)c1 with a thiol.,CC(OC(=O)CCNC(=O)c1ccsc1)C(=O)Nc1ccc(S)c(Cl)c1
DelComponent,Modify the molecule CC(C)(C)c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)cc1 by removing a benzene ring.,CC(C)(C)c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
LogP,Modify the molecule C[NH+]=C(NCCCC(=O)N1Cc2ccccc2C1)NC1CCN(CC(F)(F)F)C1 to decrease its LogP value.,C[NH+]=C(NCCCC(=O)N1Cc2ccccc2C1)NC1CCN(CC(F)F)C1
MR,Modify the molecule Cc1cc(N=Nc2c(SOOO)cc3c(S(=O)(=O)[O-])c(N=Nc4c(C)c(C(N)=O)c5nc6ccccc6n5c4O)ccc3c2O)c(OCCCS(=O)(=O)[O-])cc1N=Nc1nnc(SCCSOOO)s1 to increase its MR value.,Cc1cc(N=Nc2c(SOONO)cc3c(S(=O)(=O)[O-])c(N=Nc4c(C)c(C(N)=O)c5nc6ccccc6n5c4O)ccc3c2O)c(OCCCS(=O)(=O)[O-])cc1N=Nc1nnc(SCCSOOO)s1
QED,Please modify the molecule CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21 to decrease its QED value.,CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(O)CC(CNC(=O)CNc1ccc(C#N)cc1)c1ccccc1
BondNum,"The molecule is composed of 30 single bonds, 8 double bonds, and 2 rotatable bonds.",C1=CCCC([NH+]2C3CC=CC=C3C3C4=C(C=CC32)[NH+](C2CCCCC2)C2C=CC=CC42)=C1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 halo group.",CCOCc1cc2cc(Br)ccc2oc1=Nc1ccc(C)cc1
AddComponent,Modify the molecule CC(NC(=O)C[NH+](Cc1nc(=O)c2ccccc2[nH]1)C(C)C)c1ccccc1 by adding a amine.,CC(NC(=O)C[NH+](Cc1nc(=O)c2c(N)cccc2[nH]1)C(C)C)c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cc1cc(C)cc(C(=O)N(N)C(=O)c2ccc3c(c2F)COB3O)c1 with a nitrile.,Cc1cc(C)cc(C(=O)N(N)C(=O)c2ccc3c(c2C#N)COB3O)c1
DelComponent,Please remove a CC1(C(F)(F)C(F)(F)C(F)(F)F)CCC[Si](C)(C)O1 from the molecule halo.,CC1(C(F)(F)C(F)C(F)(F)F)CCC[Si](C)(C)O1
LogP,Please modify the molecule CCCCCN(CCCCC)C(=O)c1ccn2nc(-c3ccc(OC)cc3)c(CCC[NH+]3CCCCC3)c2c1 to decrease its LogP value.,CCCCCN(CCCCC)C(=O)c1ccn2nc(-c3ccc(OC)c(C(=O)O)c3)c(CCC[NH+]3CCCCC3)c2c1
MR,Please modify the molecule CCC[NH+](CCC)CCOc1cc(NC(=O)C=Cc2c(F)cccc2F)ccc1OC to increase its MR value.,CCC[NH+](CCC)CCOc1cc(NC(=O)C=Cc2c(F)cccc2NO)ccc1OC
QED,Please modify the molecule CCOC(=O)c1c(NC(=O)COC(=O)CN2C(=O)C(=O)c3cc(Br)ccc32)sc2c1CCCC2 to increase its QED value.,CCOC(=O)c1c(NC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)sc2c1CCCC2
AtomNum,"Please generate a molecule consisting 45 carbon atoms, 7 oxygen atoms, and 6 nitrogen atoms.",C=CCOc1c(C)c(OC)c(OCC=C)c2c1CC1C3c4c(cc(C)c(OC)c4OCC=C)CC(C(C#N)N1C2CNC(=O)C(C)NC(=O)Nc1ccccc1)N3C
BondNum,"There is a molecule with 11 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CCCc1nc(NN)cc(NCCC(=O)NC)n1
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,Cc1cccc(-c2nc3ncncc3[nH]2)c1
AddComponent,Please add a amine to the molecule OC(Cc1ccccc1)C1OC(Oc2ccsc2)C(O)(Cc2ccccc2)C(O)(Cc2ccccc2)C1(O)Cc1ccccc1.,Nc1ccccc1CC1(O)C(C(O)Cc2ccccc2)OC(Oc2ccsc2)C(O)(Cc2ccccc2)C1(O)Cc1ccccc1
SubComponent,Substitute a CCC=CC=CC=CC=CCCCCCCCC(=O)OC(COC(=O)CCCC=CCC=CCCCCCCCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O in the molecule hydroxyl with a aldehyde.,CC(=O)CC1OC(OCC2OC(OCC(COC(=O)CCCC=CCC=CCCCCCCCCCCC)OC(=O)CCCCCCCC=CC=CC=CC=CCC)C(O)C(O)C2O)C(O)C(O)C1O
DelComponent,Please remove a amine from the molecule COCCc1nnc2n1NC(c1cccs1)CS2.,COCCc1nnc2n1C(c1cccs1)CS2
LogP,Optimize the molecule Cc1cc(NC(=O)c2sc(Nc3cccc(F)c3)nc2C)ccc1Br to have a higher LogP value.,Cc1cc(NC(=O)c2sc(Nc3cccc(S)c3)nc2C)ccc1Br
MR,Please optimize the molecule CCc1ccc2occ(CC(=O)Nc3ccncc3)c2c1 to have a higher MR value.,CCc1ccc2occ(CC(=O)Nc3ccncc3)c2c1-c1ccccc1
QED,Modify the molecule CCc1ccccc1NC(=O)C(C#N)=Cc1c(OCc2cc(C)cc(C)c2)ccc2ccccc12 to have a higher QED value.,CCNC(=O)C(C#N)=Cc1c(OCc2cc(C)cc(C)c2)ccc2ccccc12
AtomNum,"There is a molecule composed of 23 carbon atoms, and 4 oxygen atoms.",C=CCc1c(O)cc(C=CCc2cc(O)c(CC)cc2O)c(O)c1CC=C
BondNum,"Please generate a molecule consisting 10 single bonds, 4 double bonds, 6 rotatable bonds, and 44 aromatic bonds.",O=Cc1sccc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccsc3C=O)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 thioether group, and 1 sulfide group.",CC(C)N(C(=O)CSc1ccc(O)cc1)C(C)C
AddComponent,Add a benzene ring to the molecule CC(=CCC[NH+](C)C)C(=O)OC(=O)C(C)=CCC1CO1.,CC(=CCC[NH+](C)C)C(=O)OC(=O)C(C)=CCC1OC1c1ccccc1
SubComponent,Please substitute a halo in the molecule N#CC1=C([NH3+])Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1c1ccc(F)cc1 with a aldehyde.,CC(=O)c1ccc(C(=O)Oc2ccc3c(c2)OC([NH3+])=C(C#N)C3c2ccc(F)cc2)cc1
DelComponent,Modify the molecule amine by removing a CC(C)OCCOCCCC(N)=[NH+]O.,CC(C)OCCOCCCC=[NH+]O
LogP,Optimize the molecule O=C1OS(=O)(=O)OC1C(F)(F)F to have a lower LogP value.,O=C1OS(=O)(=O)OC1C(O)(F)F
MR,Modify the molecule O=C([O-])C(c1ccccc1)n1ccc2cccc(Cl)c21 to increase its MR value.,CC(=O)c1cccc2ccn(C(C(=O)[O-])c3ccccc3)c12
QED,Modify the molecule COc1ccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nn2)cc1Cl to have a higher QED value.,COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)nn2)cc1Cl
AtomNum,"Please generate a molecule composed of 67 carbon atoms, 7 nitrogen atoms, and 6 fluorine atoms.",N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3c(C(F)(F)F)cccc3C(F)(F)F)c(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)cc2C#N)cc1
BondNum,"There is a molecule with 16 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",C#Cc1cc(C)ccc1NC1CCC(NC(=O)OC(C)(C)C)C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 halo groups.",CCC1CN(c2cc(Cl)ccc2F)C(C)C[NH2+]1
AddComponent,Modify the molecule CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N(C(C)C)C(C)C by adding a aldehyde.,CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N(C(C)C)C(C)CCC=O
SubComponent,Modify the molecule hydroxyl by substituting a CCCCCCC(O)=C[N+](CCCCC)(CCCCC)CCCC(=O)[O-] with a thiol.,CCCCCCC(S)=C[N+](CCCCC)(CCCCC)CCCC(=O)[O-]
DelComponent,Please remove a amine from the molecule CCNS(=O)(=O)C=CC(C)NC(=O)OC(C)(C)C.,CCS(=O)(=O)C=CC(C)NC(=O)OC(C)(C)C
LogP,Modify the molecule Fc1cc(F)cc(NCC2CCC[NH2+]C2)c1 to have a lower LogP value.,Oc1cc(F)cc(NCC2CCC[NH2+]C2)c1
MR,Please optimize the molecule Cc1nc(N)sc1C(=O)NC(CCC(=O)[O-])C(=O)[O-] to have a higher MR value.,Nc1nc(CC(=O)O)c(C(=O)NC(CCC(=O)[O-])C(=O)[O-])s1
QED,Please modify the molecule COC(C)OC(=O)C(C)Nc1cc(NC(C)=O)ccc1Cl to decrease its QED value.,COC(C)OC(=O)C(C)Nc1cc(NC(C)=O)ccc1NO
AtomNum,"The molecule is composed of 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 silicon atom.",CCO[Si](OCC)OCCC(C)[NH+]1CCCCCC1
BondNum,"Please generate a molecule with 17 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",C[NH+]=C(NCCNS(=O)(=O)c1cccnc1)N1CCC2(CCC2)C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 hydroxyl group.",O=c1cc(CO)cc(Cc2ccccc2)n1[O-]
AddComponent,Please add a carboxyl to the molecule COCCCn1c(SCC(=O)NCc2ccccc2C)nc2ccccc2c1=O.,COCCCn1c(SCC(=O)NCc2ccccc2C)nc2c(C(=O)O)cccc2c1=O
SubComponent,Substitute a halo in the molecule O=C(Cl)c1nc(Cl)nc2c1OCC1COCCN21 with a carboxyl.,O=C([OH])C(=O)c1nc(Cl)nc2c1OCC1COCCN21
DelComponent,Remove a O=C1C2ON(c3ccccc3)C(c3ccc(OCc4ccccc4)cc3)C2C(=O)N1c1ccc(F)cc1 from the molecule halo.,O=C1C2ON(c3ccccc3)C(c3ccc(OCc4ccccc4)cc3)C2C(=O)N1c1ccccc1
LogP,Modify the molecule COc1ccc(C2CC2C(=O)NCCN2C(=O)CSC2=O)cc1 to decrease its LogP value.,COC1CC1C(=O)NCCN1C(=O)CSC1=O
MR,Modify the molecule Cc1ccc(NC(=O)C(C)(C)C(=O)N2CCCC2)cc1Br to have a lower MR value.,Cc1ccc(NC(=O)CCC2CCC2)cc1Br
QED,Please optimize the molecule COC(=O)Cc1c(C(F)F)[nH]cc(Cl)c1=O to have a lower QED value.,COC(=O)Cc1c(CF)[nH]cc(Cl)c1=O
AtomNum,"Please generate a molecule with 20 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1[nH]c2c(C(=O)N3CCC4(CC3)C(=O)NCC[NH+]4C)cccc2c1C
BondNum,"Please generate a molecule consisting 18 single bonds, 1 double bond, 6 rotatable bonds, and 16 aromatic bonds.",COc1c(-c2cc(O)c(O)c(O)c2)oc2cc(=O)cc(OCC[NH+]3CCOCC3)c-2c1O
FunctionalGroup,Please generate a molecule composed of and 1 halo group.,CC1CCN(c2cccc(F)n2)CC1C
AddComponent,Please add a amine to the molecule Cc1noc(C)c1COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1.,Cc1noc(C)c1COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1N
SubComponent,Modify the molecule C[NH+]=C(NCCc1c(C)noc1C)NC1CC[NH+](Cc2ccc(F)cc2)CC1 by substituting a halo with a thiol.,C[NH+]=C(NCCc1c(C)noc1C)NC1CC[NH+](Cc2ccc(S)cc2)CC1
DelComponent,Modify the molecule benzene ring by removing a CCOC1CCN(C(C[NH3+])c2ccccc2OC)CC1.,CCOC1CCN(C(C[NH3+])OC)CC1
LogP,Please modify the molecule COCC(CBr)NC(=O)CCc1ccccc1 to increase its LogP value.,COCC(CBr)NC(=O)CCc1cccc(-c2ccccc2)c1
MR,Optimize the molecule O=S(Nc1ccccc1Br)c1ccccc1 to have a higher MR value.,CC(=O)c1ccccc1NS(=O)c1ccccc1
QED,Optimize the molecule COc1c(C2(O)CCN(C(=O)OC(C)(C)C)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12 to have a lower QED value.,COc1c(C2(O)CCN(C(=O)OC(C)(C)C)CC2c2ccccc2)cnc2c(-c3ccc(C#N)cc3)cccc12
AtomNum,"There is a molecule with 29 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)c1
BondNum,"The molecule contains 9 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",[NH3+]Cc1cccc2c(C[NH2+]C3CCC3)csc12
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, 1 ketone group, and 1 halo group.",Cc1ccc2c(c1)C(=O)C(c1c(O)[nH]c3ccc(F)cc13)=N2
AddComponent,Modify the molecule O=C(NN=CC1(c2ccccc2)CC1(Cl)Cl)c1ccccc1 by adding a hydroxyl.,O=C(NN=CC1(c2ccccc2O)CC1(Cl)Cl)c1ccccc1
SubComponent,Please substitute a O=C(Nc1ccccc1)c1ccc(NCCc2cc(F)cc3c2OCOC3)nn1 in the molecule halo with a thiol.,O=C(Nc1ccccc1)c1ccc(NCCc2cc(S)cc3c2OCOC3)nn1
DelComponent,Remove a halo from the molecule CCOC(=O)c1[nH]cc(C=O)c1-c1ccc(Br)cc1.,CCOC(=O)c1[nH]cc(C=O)c1-c1ccccc1
LogP,Modify the molecule Cc1c(Cl)cccc1N(c1cccc(Cl)c1C)S(=O)(=O)c1cc(S(N)(=O)=O)c([O-])c2nc(N(C)C)ccc12 to increase its LogP value.,Cc1c(Cl)cccc1N(c1cccc(Cl)c1C)S(=O)(=O)c1cc([SH](=O)=O)c([O-])c2nc(N(C)C)ccc12
MR,Modify the molecule N#CCN(CC1Cc2ccccc21)C1CCCC1 to have a higher MR value.,ClCN(CC1Cc2ccccc21)C1CCCC1
QED,Modify the molecule CC(=CC=O)c1ccc2nc(C(C)C)c(C(C)C)nc2c1 to have a higher QED value.,CCc1ccc2nc(C(C)C)c(C(C)C)nc2c1
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 2 fluorine atoms, and 1 bromine atom.",O=[N+]([O-])c1cc(CBr)ccc1OCc1c(F)cccc1F
BondNum,"There is a molecule consisting of 15 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CSC=CC(O)(c1n(SC)nc2[n+]1CCC2)C(C)(C)O
FunctionalGroup,The molecule contains and 2 halo groups.,COc1cccc2c1nc(C(F)F)n2-c1nc(Oc2cncnc2)nc(N2CCOCC2)n1
AddComponent,Modify the molecule CCNS(=O)(=O)c1cc(-c2c(CC)noc2NC(C)=O)ccc1C by adding a hydroxyl.,CCNS(=O)(=O)c1cc(-c2c(CCO)noc2NC(C)=O)ccc1C
SubComponent,Please substitute a halo in the molecule CCNC(NC1CCN(c2ccc(C)cc2)C1)=[NH+]Cc1ccc(Cl)nc1 with a thiol.,CCNC(NC1CCN(c2ccc(C)cc2)C1)=[NH+]Cc1ccc(S)nc1
DelComponent,Remove a amide from the molecule CCOc1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)ccc1OC.,CCOc1cc(C(=O)Oc2c(F)cccc2F)ccc1OC
LogP,Please optimize the molecule c1ccc(-c2n[nH]nc2C[NH2+]C2CCCCCCC2)cc1 to have a lower LogP value.,c1n[nH]nc1C[NH2+]C1CCCCCCC1
MR,Modify the molecule CCCC1CCC(CCc2ccc(C(F)(F)Oc3cc(F)c(OC(F)F)c(F)c3)cc2)CC1 to increase its MR value.,CC(CC1CCC(CCc2ccc(C(F)(F)Oc3cc(F)c(OC(F)F)c(F)c3)cc2)CC1)c1ccccc1
QED,Modify the molecule COc1ncc(C)cc1NC(=O)CC1CCOC1 to have a lower QED value.,COc1ncc(C)cc1C1CCOC1
AtomNum,"There is a molecule composed of 22 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CCCCNC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCCC)c(Br)c2)cc1
BondNum,"Please generate a molecule with 15 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",Nc1ccccc1OCCCN(CC(F)(F)F)C1CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",COc1ccccc1OCC(=O)N1CC2CCCC2C1C(=O)[O-]
AddComponent,Add a amine to the molecule Cc1cc(NCCCCCCCCCCCCNc2cc(C)[nH+]c3ccccc23)c2ccccc2[nH+]1.,Cc1cc(NCCCCCCCC(N)CCCCNc2cc(C)[nH+]c3ccccc23)c2ccccc2[nH+]1
SubComponent,Please substitute a halo in the molecule CC(Oc1ccc(C(=O)C2CC2)nc1)c1cc(-c2ccc(C(=O)NCC(N)=O)c(F)c2)ns1 with a nitrile.,CC(Oc1ccc(C(=O)C2CC2)nc1)c1cc(-c2ccc(C(=O)NCC(N)=O)c(C#N)c2)ns1
DelComponent,Modify the molecule CC1(C)OC2C(CO)OC(n3cnc4c(NCc5ccc(OC(=O)c6ccccc6)cc5)ncnc43)C2O1 by removing a hydroxyl.,CC1OC(n2cnc3c(NCc4ccc(OC(=O)c5ccccc5)cc4)ncnc32)C2OC(C)(C)OC12
LogP,Modify the molecule O=c1[nH]c(SCc2ccccc2)c2ccccc2c1Br to decrease its LogP value.,O=c1[nH]c(SC(O)c2ccccc2)c2ccccc2c1Br
MR,Modify the molecule CN(C)c1ccc(C=c2sc3n(c2=O)C(c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1Br to decrease its MR value.,CN(C)c1ccc(C=c2sc3n(c2=O)C(c2ccc(O)cc2)C2=C(N=3)c3ccccc3CC2)cc1Br
QED,Modify the molecule Cc1ccnn1CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 to decrease its QED value.,Cc1ccnn1C(CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1)c1ccccc1
AtomNum,"The molecule is composed of 33 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 fluorine atom, and 2 bromine atoms.",O=C(NNCc1ccc(F)cc1)C1(Cc2ccc(Br)cc2)N=C(c2ccc(OCCCO)cc2)OC1c1ccccc1Br
BondNum,"Please generate a molecule with 16 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",C[NH+](C)CCN(Cc1ccccc1)C(=O)NC1CCCCC1
FunctionalGroup,The molecule consists of and 2 amide groups.,CC(C)NC(=O)CCCC(=O)NCC(Cc1cccc2ccccc12)C(=O)[O-]
AddComponent,Add a hydroxyl to the molecule O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1.,O=C(Nc1ccc(Cl)cc1)Nc1cnc(N2CCN(c3ncccc3C(F)(F)F)CC2)cc1O
SubComponent,Modify the molecule CCNC(NCc1ncc(C)s1)=[NH+]Cc1cc(Br)c(OC)c(OC)c1 by substituting a halo with a hydroxyl.,CCNC(NCc1ncc(C)s1)=[NH+]Cc1cc(O)c(OC)c(OC)c1
DelComponent,Please remove a amide from the molecule C=CCOc1ccc(C[NH+]2CCCCC2CNC(=O)CC[NH3+])cc1OC.,C=CCOc1ccc(C[NH+]2CCCCC2CC[NH3+])cc1OC
LogP,Optimize the molecule Cc1ccc(Nc2cc(C(=O)Nc3cccc(Cl)c3)nc(C)n2)cc1 to have a lower LogP value.,Cc1ccc(Nc2cc(C(=O)Nc3cccc(O)c3)nc(C)n2)cc1
MR,Modify the molecule C[NH+]1CCCCC1CCN1c2ccccc2Sc2ccc(Cl)cc21 to decrease its MR value.,C[NH+]1CCCCC1CCN1c2ccccc2Sc2ccccc21
QED,Please optimize the molecule CC[NH2+]C(CC)CCCOc1ccc(C(C)C)cc1 to have a lower QED value.,CC[NH2+]C(CC)CCCOC(C)C
AtomNum,"Please generate a molecule with 21 carbon atoms, and 2 oxygen atoms.",CC12CCCC=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12
BondNum,"There is a molecule composed of 28 single bonds, 5 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",COCCCNC(=O)CC1C(=O)N(Cc2ccc(Cl)cc2Cl)C2=CCN(C(=O)OC(C)(C)C)CC21C=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, 1 amine group, and 3 halo groups.",CNc1ccc(C(=O)NC2CCOC2)cc1C(F)(F)F
AddComponent,Add a hydroxyl to the molecule COc1ccc(NC(=O)CSCc2ccc(F)cc2)c(OC)c1.,COc1ccc(NC(=O)CSCc2ccc(F)c(O)c2)c(OC)c1
SubComponent,Substitute a halo in the molecule COc1ccc(C([NH3+])c2ncccc2Br)cc1OC with a nitrile.,COc1ccc(C([NH3+])c2ncccc2C#N)cc1OC
DelComponent,Remove a C=Cc1c(OC)cc(OC)c(S(=O)(=O)Cc2ccc(OC)c(NC(C)C(=O)[O-])c2)c1OC from the molecule benzene ring.,C=Cc1c(OC)cc(OC)c(S(=O)(=O)C(NC(C)C(=O)[O-])OC)c1OC
LogP,Modify the molecule Cc1nc(Cl)c(N2CCc3ccccc3C2)nc1C to have a lower LogP value.,Cc1ncc(N2CCc3ccccc3C2)nc1C
MR,Please modify the molecule CN1c2ccsc2C(=O)C(C(=O)Nc2cccc(C(F)(F)F)c2)S1(=O)=O to increase its MR value.,CN1c2ccsc2C(=O)C(C(=O)Nc2cccc(C(F)(F)C#N)c2)S1(=O)=O
QED,Modify the molecule C=CCn1c(C)nnc1SC(C)C(=O)Nc1ccc(C)c(F)c1 to increase its QED value.,C=CCn1c(C)nnc1SC(C)C(=O)Nc1ccc(C)cc1
AtomNum,"There is a molecule with 21 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 fluorine atom.",C[NH+]=C(NCCNC(=O)C1CCCCC1)N1CCN(c2ccc(F)cc2)CC1
BondNum,"There is a molecule composed of 15 single bonds, 9 rotatable bonds, and 16 aromatic bonds.",COCCOc1ccc2c(OC(C)C)cc(-c3coc(NC(C)C)n3)nc2c1Cl
FunctionalGroup,"The molecule has 1 benzene ring group, and 2 halo groups.",C[NH2+]CC(C)c1cc(Br)ccc1F
AddComponent,Add a benzene ring to the molecule CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)cc1.,O=C(CN(c1ccc(Br)cc1)S(=O)(=O)Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1
SubComponent,Substitute a hydroxyl in the molecule COC(=O)C(O)CNC(=O)C1CCCC([NH3+])C1 with a aldehyde.,CC(=O)C(CNC(=O)C1CCCC([NH3+])C1)C(=O)OC
DelComponent,Modify the molecule OCc1cccn1COCC(F)(F)F by removing a hydroxyl.,Cc1cccn1COCC(F)(F)F
LogP,Please optimize the molecule COc1ccc2nc3c4ccc(Cl)cc4[nH]cc-3c2c1 to have a lower LogP value.,COc1ccc2nc3c4ccccc4[nH]cc-3c2c1
MR,Modify the molecule [NH3+]Cc1c(F)cccc1Oc1cc(=O)[nH]c(C2CC2)n1 to increase its MR value.,[NH3+]Cc1ccccc1Oc1cc(=O)[nH]c(C2CC2)n1
QED,Please optimize the molecule CN(C)C(=S)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 to have a lower QED value.,CN(C)C(=S)Oc1ccc(NO)cc1C(=O)Nc1ccc(Cl)cc1
AtomNum,"There is a molecule composed of 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C(c1cc2ccccc2s1)N1CC(O)C([NH+]2CCOCC2)C1
BondNum,"Please generate a molecule with 13 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCC1(C)C([NH2+]C)CC1Oc1cc(Br)ccc1Cl
FunctionalGroup,"The molecule consists of 6 benzene ring groups, 1 hydroxyl group, and 1 amide group.",C=CCOC1C(NC(=O)C(O)CCNC(=O)OCc2ccccc2)CC(NC(=O)OCc2ccccc2)C(OC2OC3COC(c4ccccc4)OC3C(O[Si](C)(C)C(C)(C)C)C2NC(=O)OCc2ccccc2)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(OC2OC(CNC(=O)OCc3ccccc3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2NC(=O)OCc2ccccc2)C1O[Si](C)(C)C(C)(C)C
AddComponent,Please add a carboxyl to the molecule COc1ccc(NC(=S)N=Nc2c(O)n(Cc3cc(C)ccc3C)c3ccc(Br)cc23)cc1.,COc1ccc(NC(=S)N=Nc2c(O)n(Cc3cc(C)ccc3C)c3ccc(Br)cc23)cc1C(=O)O
SubComponent,Modify the molecule O=C(Cn1cnc(-c2ccco2)cc1=O)Nc1cc(Cl)cc(Cl)c1 by substituting a halo with a carboxyl.,O=C(Cn1cnc(-c2ccco2)cc1=O)Nc1cc(Cl)cc(C(=O)[OH])c1
DelComponent,Please remove a benzene ring from the molecule Cc1cccc(CSCC([NH3+])CCO)c1.,CCSCC([NH3+])CCO
LogP,Modify the molecule N#Cc1ccccc1OCC(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1 to have a lower LogP value.,N#COCC(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1
MR,Modify the molecule CC1(CO)C(O)C2=C(C1O)C(C)(O)C1(CC1)C(C)(O)C2=O to have a higher MR value.,CC(=O)CC1(C)C(O)C2=C(C1O)C(C)(O)C1(CC1)C(C)(O)C2=O
QED,Optimize the molecule CCN(Cc1ccc2c(c1)OCO2)C(=O)c1sc(-c2ccc(F)cc2)nc1C to have a higher QED value.,CCN(Cc1ccc2c(c1)OCO2)C(=O)c1sc(F)nc1C
AtomNum,"The molecule is composed of 27 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCCn1c(=O)c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c([O-])c2ccccc21
BondNum,"Please generate a molecule with 6 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",CC(Nc1ccc(Br)cc1)c1cnn(C)c1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, and 4 amide groups.",COc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)NCC(C)C)cc3C)CC2)ccc1NC(=O)c1cccc(C)c1
AddComponent,Please add a benzene ring to the molecule CC(NC(=O)c1cccc2c1CCC2)C(=O)NCC[NH+]1CCCCC1.,CC(NC(=O)c1cccc2c1CCC2)C(=O)NCC[NH+]1CCCC(c2ccccc2)C1
SubComponent,Modify the molecule halo by substituting a CCCCOc1c2n(cc(Br)c1=O)C1(CCN(C(=O)OC(C)(C)C)C1)CNC2=O with a aldehyde.,CC(=O)c1cn2c(c(OCCCC)c1=O)C(=O)NCC21CCN(C(=O)OC(C)(C)C)C1
DelComponent,Remove a amine from the molecule CC1(CNc2ccc(C=O)cc2[N+](=O)[O-])CCC1.,CC1(Cc2ccc(C=O)cc2[N+](=O)[O-])CCC1
LogP,Please optimize the molecule O=C1CC(c2ccc(F)cc2)CC2=C1C(c1ccco1)n1c(nc3ccccc31)N2 to have a higher LogP value.,CC(=O)c1ccc(C2CC(=O)C3=C(C2)Nc2nc4ccccc4n2C3c2ccco2)cc1
MR,Please modify the molecule CSc1nnc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)s1 to decrease its MR value.,CSc1nnc(Cc2ccc(C(C)(C)C)cc2)s1
QED,Optimize the molecule O=C(C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1)N1CCN(c2ccccc2F)CC1 to have a higher QED value.,Fc1ccccc1N1CCC2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2CC1
AtomNum,"The molecule contains 32 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",O=C(C(c1ccc(OCCc2ccccc2)cc1)C1(O)CCCCC1)N1CCC([NH+]2CCCCC2)CC1
BondNum,"Please generate a molecule with 24 single bonds, 2 double bonds, 9 rotatable bonds, and 11 aromatic bonds.",CCC(C)(CCC(C(=O)NNC(=O)C(C)(C)F)C(C)C)c1nnc(-c2ccccc2C(F)(F)F)n1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",C#CCOc1ccc(CC(NC(=O)OC2(C)CC2)C(N)=O)cc1
AddComponent,Add a benzene ring to the molecule CNc1nc2cc(-c3cccc(CC(C)=O)c3)sc2n2c(C)c[nH+]c12.,CNc1nc2cc(-c3cc(CC(C)=O)ccc3-c3ccccc3)sc2n2c(C)c[nH+]c12
SubComponent,Substitute a COCc1nnc2sc(COc3ccc(Cl)cc3)nn12 in the molecule halo with a aldehyde.,CC(=O)c1ccc(OCc2nn3c(COC)nnc3s2)cc1
DelComponent,Remove a CSCCCC[NH+]=C1NC(C)CC(C)S1 from the molecule amine.,CSCCCCC1NC(C)CC(C)S1
LogP,Optimize the molecule CCOc1ccc([N+](=O)[O-])c(NCCCCBr)c1 to have a lower LogP value.,CCCCNc1cc(OCC)ccc1[N+](=O)[O-]
MR,Please modify the molecule CCOC(=O)COc1cccc(C(Cc2ccc(Cl)cc2)C(C)=O)c1 to decrease its MR value.,CCOC(=O)COC(Cc1ccc(Cl)cc1)C(C)=O
QED,Please optimize the molecule Clc1ccc(CSCCc2ccccn2)cc1 to have a lower QED value.,c1ccc(CSCCc2ccccn2)cc1
AtomNum,"The molecule consists of 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CN(Cc1ccc(Cl)cc1)C(=O)NCC1CCCO1
BondNum,"There is a molecule consisting of 16 single bonds, 2 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CCc1cc(O)cc(C)c1OCCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 sulfide group.",CC(NC(=O)Nc1nc2c(s1)CCCCCC2)C(=O)N1CCOCC1
AddComponent,Modify the molecule CCc1ccc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 by adding a benzene ring.,CCc1ccc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4c(-c5ccccc5)cccc43)CC2)cc1
SubComponent,Please substitute a Cc1cc(C(=O)NCC2[NH2+]CCCC2(C)C)ccc1Br in the molecule halo with a nitro.,Cc1cc(C(=O)NCC2[NH2+]CCCC2(C)C)ccc1NO
DelComponent,Remove a C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2sc(C)c(C)c2c1=O from the molecule amide.,C=CCn1c(Sc2sc3c(c2C#N)CCCCC3)nc2sc(C)c(C)c2c1=O
LogP,Please optimize the molecule O=C([S-])SC(SCSC(SCS)SCSC(SC(=O)[S-])SC(=O)[S-])SC(=O)[S-] to have a lower LogP value.,O=C([S-])SC(SCSC(SCO)SCSC(SC(=O)[S-])SC(=O)[S-])SC(=O)[S-]
MR,Modify the molecule O=C(NN=Cc1ccc(O)c(Br)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 to decrease its MR value.,N#Cc1cc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1O
QED,Modify the molecule COc1ccc(CCNS(=O)(=O)c2nnc(N)s2)cc1 to increase its QED value.,COc1ccc(CCS(=O)(=O)c2nnc(N)s2)cc1
AtomNum,"There is a molecule composed of 12 carbon atoms, and 5 oxygen atoms.",C=CCc1cc(OC)c(O)c(C(O)C(=O)[O-])c1
BondNum,"Please generate a molecule with 14 single bonds, 3 double bonds, 9 rotatable bonds, and 11 aromatic bonds.",Cc1cc(C)n(CCCNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)n1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, and 2 amide groups.",CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccc(-c2ccc(-c3ccc(NC(=O)C4CCCN4C(=O)OC(C)(C)C)cc3)n2-c2ccc(C(C)(C)C)cc2)cc1
AddComponent,Please add a benzene ring to the molecule COc1ccccc1CCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(C(F)(F)F)cc1.,COc1ccccc1CCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(C(F)(F)F)c(-c2ccccc2)c1
SubComponent,Modify the molecule O=C(c1ccco1)C(F)(F)c1cccc(Cl)c1 by substituting a halo with a hydroxyl.,O=C(c1ccco1)C(O)(F)c1cccc(Cl)c1
DelComponent,Remove a benzene ring from the molecule Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1.,Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1cnn(CC(F)(F)F)c1
LogP,Please modify the molecule Cc1ccc2nc(C(C#N)=Cc3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)[nH]c2c1 to decrease its LogP value.,Cc1ccc2nc(C(=Cc3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)NO)[nH]c2c1
MR,Please modify the molecule CCOCCN(C)C(=O)c1ccc2c(c1)NCCN2 to decrease its MR value.,CCOCCN(C)C(=O)c1ccc2c(c1)NCC2
QED,Modify the molecule CCc1cnc(CNC(NCC(C)(C)SC)=[NH+]C)s1 to increase its QED value.,CCc1cnc(CNC(C)NCC(C)(C)SC)s1
AtomNum,"The molecule contains 26 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCCCCN(Cc1cccn1Cc1cccc(OC)c1)C(=O)c1ccc(C)cc1
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",CC([NH3+])C(=O)N1CCOc2ccc(F)cc21
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 hydroxyl groups, and 3 halo groups.",CO[Si](O)(O)c1cc(F)c(F)cc1F
AddComponent,Add a benzene ring to the molecule COC(C)c1nc(C(F)F)c(C(=O)[O-])o1.,CC(OCc1ccccc1)c1nc(C(F)F)c(C(=O)[O-])o1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1cc(OCC(O)CO)nc(C)c1-c1cccc(COC2C=CC(CC3SC(=O)[N-]C3=O)=CC2)c1C with a thiol.,Cc1cc(OCC(S)CO)nc(C)c1-c1cccc(COC2C=CC(CC3SC(=O)[N-]C3=O)=CC2)c1C
DelComponent,Modify the molecule halo by removing a CC(=O)c1cc(Cl)ccc1OCCCOCC(F)(F)F.,CC(=O)c1ccccc1OCCCOCC(F)(F)F
LogP,Optimize the molecule CCC1Oc2ccc(N)nc2N(C(C)C(=O)Nc2ccc(Cl)cc2)C1=O to have a lower LogP value.,CCC1Oc2ccc(N)nc2N(C(C)C(=O)Nc2ccc(Cl)cc2C(=O)O)C1=O
MR,Modify the molecule Cc1oncc1C(=O)N1CCCC(C2=CN(Oc3cccc(F)c3)NO2)C1 to increase its MR value.,CC(=O)c1cccc(ON2C=C(C3CCCN(C(=O)c4cnoc4C)C3)ON2)c1
QED,Modify the molecule CCN(CC)C(=O)c1ccccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C to have a lower QED value.,CCN(CC)C(=O)c1c(N)cccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
AtomNum,"The molecule is composed of 7 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 3 fluorine atoms.",CN(CC(F)(F)F)S(=O)(=O)c1scnc1C(=O)[O-]
BondNum,"The molecule contains 13 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=C(CSc1ccc(F)c(F)c1)Nc1ccc(C(=O)NC2CC2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 halo groups.",Clc1ccc(Cn2nccc2-c2ccncc2)cc1Cl
AddComponent,Modify the molecule COC(=O)C1=COC(O[Si](C)(C)C(C)(C)C)C2C1CC(O)C2(O)CO[Si](C)(C)C(C)(C)C by adding a benzene ring.,COC(=O)C1=COC(O[Si](C)(C)C(C)(C)Cc2ccccc2)C2C1CC(O)C2(O)CO[Si](C)(C)C(C)(C)C
SubComponent,Modify the molecule COC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 by substituting a halo with a aldehyde.,CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)OC)CC2)c1F
DelComponent,Modify the molecule benzene ring by removing a COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)cc(OC)c1.,COC(OC)c1csc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1
LogP,Modify the molecule CC1CC(CO[Si](C)(C)C(C)(C)C)C(O)O1 to decrease its LogP value.,CC(C)(C)[Si](C)(C)OCC1CC(CCC=O)OC1O
MR,Please modify the molecule COc1ccc(-c2nnc(SCc3noc(-c4ccccc4Cl)n3)o2)c(OC)c1 to increase its MR value.,COc1ccc(-c2nnc(SCc3noc(-c4ccccc4S)n3)o2)c(OC)c1
QED,Optimize the molecule Cc1ccccc1C(C)(O)c1ccc2[nH]ccc2c1 to have a lower QED value.,CC(C)(O)c1ccc2[nH]ccc2c1
AtomNum,"Please generate a molecule composed of 7 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 silicon atom.",CO[Si](C)(OC)N(C)C(=O)N(C)C
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",COCC[NH+](CC(=O)Nc1cccc(C(N)=S)c1)C1CC1
FunctionalGroup,There is a molecule with and 1 sulfone group.,C=CCN(C)S(=O)(=O)c1cc(C[NH2+]C)n(CCC)c1
AddComponent,Please add a amine to the molecule Cc1cccc(OCCNC(=O)CCCN(c2cccc(Br)c2)S(C)(=O)=O)c1.,Cc1cccc(OCCNC(=O)CCCN(c2ccc(N)c(Br)c2)S(C)(=O)=O)c1
SubComponent,Substitute a halo in the molecule COc1cc(C=Cc2nc3n(n2)C(c2ccc(F)cc2)CCC3)ccc1-n1cnc(C)c1 with a thiol.,COc1cc(C=Cc2nc3n(n2)C(c2ccc(S)cc2)CCC3)ccc1-n1cnc(C)c1
DelComponent,Please remove a CN1C(=Cc2sc3ccc(NC(CO)C(=O)O)cc3[n+]2C)Sc2ccc(Cl)cc21 from the molecule carboxyl.,CN1C(=Cc2sc3ccc(NCCO)cc3[n+]2C)Sc2ccc(Cl)cc21
LogP,Please optimize the molecule COC(=O)C1=C(C(=O)OC)C(O[Si](C)(C)C(C)(C)C)c2c(OC)c(NC(C)(C)C)c3c(c2C1O[Si](C)(C)C(C)(C)C)CCCC3 to have a higher LogP value.,COC(=O)C1=C(C(=O)OC)C(O[Si](C)(C)C(C)(C)C)c2c(OC)c(C(C)(C)C)c3c(c2C1O[Si](C)(C)C(C)(C)C)CCCC3
MR,Please modify the molecule NC1=[NH+]C(CC(O)Cc2nc(C(=O)[O-])co2)C(C(F)(F)F)C1 to increase its MR value.,N#CC(F)(F)C1CC(N)=[NH+]C1CC(O)Cc1nc(C(=O)[O-])co1
QED,Please modify the molecule C[NH2+]Cc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 to decrease its QED value.,C[NH2+]COc1ncc(C(F)(F)F)cc1Cl
AtomNum,"There is a molecule consisting of 35 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC(C)C(Oc1cc2c3c(cccc3c1)C(=O)N(c1cc(C3CCCC3)ccc1C1CCCC1)C2=O)C(C)C
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC1CN(C(=O)Cc2ccc(F)c(F)c2)CCC1O
FunctionalGroup,The molecule has and 1 amide group.,Cc1noc2ncc(NC(=O)CC3CCOC3)cc12
AddComponent,Add a amine to the molecule CC[NH2+]C(C)c1cccc(NC(=O)COC(C)C)c1.,CC[NH2+]C(C)c1cc(N)cc(NC(=O)COC(C)C)c1
SubComponent,Please substitute a halo in the molecule Cc1ccc(NC(=O)c2cccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)NC5CCCCC5C)ccc4C)CC3)c2C)cc1F with a carboxyl.,Cc1ccc(C(=O)NC2CCCCC2C)cc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2cccc(C(=O)Nc3ccc(C)c(C(=O)[OH])c3)c2C)CC1
DelComponent,Modify the molecule CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(-c7ccccc7)c6)ccc4-5)cc3)ccc2-c2ccc(-c3cccc(-c4ccccc4)c3)cc21 by removing a benzene ring.,CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(-c7ccccc7)c6)ccc4-5)cc3)cc21
LogP,Please modify the molecule COc1cc(C)ccc1Oc1cc(F)c(Cl)cc1N to increase its LogP value.,COc1cc(C)ccc1Oc1cc(S)c(Cl)cc1N
MR,Please optimize the molecule CCC1CCC(N(C)CCC#N)CC1 to have a higher MR value.,CCC1CCC(c2ccccc2)(N(C)CCC#N)CC1
QED,Please modify the molecule Cc1cc(Cl)ccc1NC(=O)N1CCN(C(=O)C2CC2)CC1 to decrease its QED value.,CCC1CCN(C(=O)Nc2ccc(Cl)cc2C)C1
AtomNum,"There is a molecule composed of 23 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 silicon atom.",Cc1ccc(S(=O)(=O)N=c2ccc(CO[Si](C)(C)C(C)(C)C)c3ccccn23)cc1
BondNum,"The molecule contains 21 single bonds, 2 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCCN1CC[NH+](Cc2ccccc2)CC1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 1 halo group.",Cc1ccc(C(c2ccccc2F)[NH+]2CCC(C(=O)[O-])CC2)cc1
AddComponent,Modify the molecule CCC[NH2+]CCn1cc(S(=O)(=O)NCCC[NH+](C)C)cn1 by adding a hydroxyl.,CCC[NH2+]CCn1cc(S(=O)(=O)NC(O)CC[NH+](C)C)cn1
SubComponent,Modify the molecule COC(=O)C(Cc1cc2ccnc(N)c2cc1C(F)(F)F)N1CCC(N(c2cnc(N3CCC3)s2)S(=O)[O-])C1=O by substituting a halo with a hydroxyl.,COC(=O)C(Cc1cc2ccnc(N)c2cc1C(O)(F)F)N1CCC(N(c2cnc(N3CCC3)s2)S(=O)[O-])C1=O
DelComponent,Please remove a benzene ring from the molecule COc1ccccc1C[NH+]1CCc2ccccc2C1CO.,COC[NH+]1CCc2ccccc2C1CO
LogP,Modify the molecule CC(C)=CCOc1ccc(C(=O)C=Cc2ccco2)c(O)c1 to have a lower LogP value.,CC(C)=CCOc1ccc(C(=O)C=Cc2ccco2)c(C(=O)[OH])c1
MR,Modify the molecule Cn1c(-c2ccc3c(c2)C[NH2+]C3)nc2cc(Br)ccc21 to increase its MR value.,Cn1c(-c2cc3c(cc2C(=O)O)C[NH2+]C3)nc2cc(Br)ccc21
QED,Please optimize the molecule CCCC1(C(=O)[O-])CC[NH+](Cc2ccc(F)cc2C#N)C1 to have a lower QED value.,CCCC1(C(=O)[O-])CC[NH+](Cc2ccc(F)cc2)C1
AtomNum,"There is a molecule with 22 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C(C(Oc1ccccc1)c1ccccc1)N1CCCC(c2nccs2)C1
BondNum,"Please generate a molecule composed of 16 single bonds, 2 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",CCn1ncc(N)c1C(=O)N1CCCC1C(=O)NC1CC1
FunctionalGroup,"The molecule consists of 1 amine group, 1 nitrile group, and 1 sulfide group.",CC(C)(C)Cc1nnc(NCc2cc(C#N)cs2)o1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(-c2noc(CNc3cc(S(=O)(=O)N4CCCCC4)ccc3OC(C)C)n2)cc1.,Cc1ccc(-c2noc(CNc3cc(S(=O)(=O)N4CCCCC4)cc(-c4ccccc4)c3OC(C)C)n2)cc1
SubComponent,Modify the molecule hydroxyl by substituting a CC=CC=CC1OC2(CCC(C)C(CC=C(C)C=CC(O)C(C)C=CC(=O)[O-])O2)CCC1CCC(C)C with a thiol.,CC=CC=CC1OC2(CCC(C)C(CC=C(C)C=CC(S)C(C)C=CC(=O)[O-])O2)CCC1CCC(C)C
DelComponent,Modify the molecule CCCC(C)[NH+](C)Cc1ccc(NCC)c([N+](=O)[O-])c1 by removing a benzene ring.,CCCC(C)[NH+](C)CN(CC)[N+](=O)[O-]
LogP,Please optimize the molecule Cc1cccc(NC(=O)C[NH+](CCO)CCCO)c1C to have a lower LogP value.,Cc1cc(C(=O)O)cc(NC(=O)C[NH+](CCO)CCCO)c1C
MR,Modify the molecule CCC(C)Oc1nc(Cl)nc2c1SCC2 to have a higher MR value.,CCC(C)Oc1nc(Cl)nc2c1SC(N)C2
QED,Modify the molecule CC(C)(C)c1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccc(Cl)cc3)n2)cc1 to increase its QED value.,CC(C)(C)c1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccc(O)cc3)n2)cc1
AtomNum,"The molecule is composed of 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC[NH+]=C(NC1CCS(=O)(=O)C1)NC1CC1C1CCCCC1
BondNum,"The molecule is composed of 18 single bonds, 4 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, 1 amine group, and 1 sulfone group.",CCC(CC)C(O)CNS(=O)(=O)N1CC(C)CC(C)C1
AddComponent,Modify the molecule COCCN(CCOC)C(=O)CC1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21 by adding a hydroxyl.,COCCN(CCOC)C(=O)C(O)C1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21
SubComponent,Modify the molecule nitrile by substituting a C[NH+](C)CCCn1ccc2cc(C#N)ccc21 with a nitro.,C[NH+](C)CCCn1ccc2cc(NO)ccc21
DelComponent,Please remove a benzene ring from the molecule CCc1ccc(C(O)C2CCOC3(CCOCC3)C2)cc1.,CCC(O)C1CCOC2(CCOCC2)C1
LogP,Modify the molecule CN(CC(O)C1CC1)S(=O)(=O)Cc1cccc2cccnc12 to have a higher LogP value.,CN(CCC1CC1)S(=O)(=O)Cc1cccc2cccnc12
MR,Optimize the molecule Cc1nc(Sc2c(F)cc(C(N)=[NH+]O)cc2F)n[nH]1 to have a higher MR value.,Cc1nc(Sc2c(F)cc(C(N)=[NH+]C#N)cc2F)n[nH]1
QED,Optimize the molecule Cc1ccc(C)c(C=C(C#N)C(=O)NC2CC2)c1 to have a lower QED value.,Cc1ccc(C)c(C=C(C(=O)[OH])C(=O)NC2CC2)c1
AtomNum,"There is a molecule composed of 15 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",c1ccc(-c2cc(C[NH+]3CCCCC3)no2)cc1
BondNum,"The molecule has 15 single bonds, 2 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",O=C1COc2cc(C(=O)NCc3ccc(CN4CCc5ccccc54)cc3)ccc2N1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 1 ketone group.",C=CCOc1ccc(C(=O)C=Cc2cc(OC(C)(C)C)cc(OC(C)(C)C)c2CCC)cc1
AddComponent,Modify the molecule Cn1nnc(COc2cncc(C#CCCl)c2)n1 by adding a hydroxyl.,Cn1nnc(COc2cncc(C#CCCl)c2O)n1
SubComponent,Please substitute a halo in the molecule COc1ccc(CC(=O)NCCCC(CCC[NH+]2CCCCC23CCc2cc(OC)c(OC)cc2C3)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 with a nitro.,COc1ccc(CC(=O)NCCCC(CCC[NH+]2CCCCC23CCc2cc(OC)c(OC)cc2C3)(c2ccc(F)cc2)c2ccc(NO)cc2)cc1
DelComponent,Modify the molecule CCCC1CC1NC(=[NH+]CC)N1CCC(OCC2CCCC2)CC1 by removing a amine.,CCCC1CC1NC(CC)N1CCC(OCC2CCCC2)CC1
LogP,Please optimize the molecule CC(=CC1CC(C)=CC(=O)O1)CCCC(CO)C1=CC(=O)C(C)(C)O1 to have a higher LogP value.,CC(=CC1CC(C)=CC(=O)O1)CCCC(C)C1=CC(=O)C(C)(C)O1
MR,Modify the molecule O=C(NC(Cc1ccc(-c2ccccc2)cc1)CC(CO)C(=O)[O-])c1cc(-c2ccccc2Cl)n[nH]1 to have a lower MR value.,O=C(NC(Cc1ccc(-c2ccccc2)cc1)CC(CO)C(=O)[O-])c1cc(-c2ccccc2)n[nH]1
QED,Modify the molecule O=C(Nc1cccc(N2CCOCC2)c1)C(=O)NC1CCc2c(Cl)cccc21 to increase its QED value.,O=C(NC1CCc2c(Cl)cccc21)C(=O)NN1CCOCC1
AtomNum,"The molecule contains 10 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC1CC(C[NH3+])(OC(C)C(C)O)CS1
BondNum,"Please generate a molecule with 19 single bonds, 3 double bonds, 1 triple bond, 4 rotatable bonds, and 10 aromatic bonds.",CCn1ncc(C=C2CCCC3=C2OC([NH3+])=C(C#N)C3c2cnn(CC)c2C)c1C
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 2 hydroxyl groups, 1 thioether group, and 1 sulfide group.",CCc1cc(O)cc(-c2ccc(O)cc2C(=Nc2ccc(-c3noc(C)n3)cc2)C(=NC(=O)OC)SC)c1
AddComponent,Add a amine to the molecule CC1C[NH+](C)CC1C(=O)NC1CC1.,C[NH+]1CC(C(=O)NC2CC2)C(C)(N)C1
SubComponent,Substitute a Nc1c(Cl)cnn1-c1ccc(Cl)cc1Cl in the molecule halo with a aldehyde.,CC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1N
DelComponent,Modify the molecule benzene ring by removing a CC(C)C([NH2+]C1CCc2sc(Cl)cc21)c1ccccc1.,CC(C)C[NH2+]C1CCc2sc(Cl)cc21
LogP,Please optimize the molecule CC1CSCCN1C(=O)C(C)(C)[NH3+] to have a higher LogP value.,CC1CSCC1CC[NH3+]
MR,Please optimize the molecule CNC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)Nc3cc(NC(=O)c4cccc(F)c4)ccc3F)CC2)c1C to have a higher MR value.,CC(=O)c1cccc(C(=O)Nc2ccc(F)c(NC(=O)CCNC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)NC)c4C)CC3)c2)c1
QED,Please modify the molecule COc1cc(Cl)ccc1C(=O)N(C)C(C)(C)C(=O)[O-] to decrease its QED value.,COc1cc(C#N)ccc1C(=O)N(C)C(C)(C)C(=O)[O-]
AtomNum,"There is a molecule consisting of 56 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC1(C)c2ccccc2-c2cc3c(cc21)Sc1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
BondNum,"There is a molecule composed of 22 single bonds, 13 rotatable bonds, and 24 aromatic bonds.",CCCCCc1c(COC)nc(C(C)C)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1-c1ccc(F)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 4 halo groups, and 1 sulfide group.",CCc1nc2sc(C(F)(F)F)nc2c(=O)n1NC(=O)Cc1ccc(F)cc1
AddComponent,Please add a amine to the molecule CC(C)C1(C(C)(C)C)CCc2c(ccn2C2CCOCC2)C1.,CC(C)C1(C(C)(C)CN)CCc2c(ccn2C2CCOCC2)C1
SubComponent,Please substitute a halo in the molecule NS(=O)(=O)c1cc(C(=O)[O-])c(NCc2ccco2)c(Cl)c1Cl with a nitro.,NS(=O)(=O)c1cc(C(=O)[O-])c(NCc2ccco2)c(NO)c1Cl
DelComponent,Remove a halo from the molecule COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)COc1cc([N+](=O)[O-])ccc1OC.,COC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1cc([N+](=O)[O-])ccc1OC
LogP,Modify the molecule COc1cc(CCC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc(OC)c1 to have a higher LogP value.,COc1cc(CC(C)c2ccc(C(F)(F)F)cc2)cc(OC)c1
MR,Optimize the molecule COc1ccc(C=C2Oc3c(C[NH+]4CCN(Cc5ccc6c(c5)OCO6)CC4)c(O)cc(C)c3C2=O)c(OC)c1 to have a higher MR value.,CC(=O)c1cc(C)c2c(c1C[NH+]1CCN(Cc3ccc4c(c3)OCO4)CC1)OC(=Cc1ccc(OC)cc1OC)C2=O
QED,Modify the molecule CCN(CC)C(=O)COc1cc(OC)ccc1CC(C)[NH3+] to have a lower QED value.,CCN(CC)C(=O)COc1cc(OCO)ccc1CC(C)[NH3+]
AtomNum,"The molecule consists of 11 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC([NH3+])(CCC1CCCCC1)C(=O)[O-]
BondNum,"The molecule contains 12 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCCN1C(=O)SC(=Cc2cc(Br)ccc2OC)C1=O
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 6 halo groups.",CC(=NOCc1c(Cl)cccc1Cl)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1
AddComponent,Modify the molecule CCC1COCC[NH+]1CCC(O)c1ccccc1Br by adding a carboxyl.,CCC1(C(=O)O)COCC[NH+]1CCC(O)c1ccccc1Br
SubComponent,Modify the molecule halo by substituting a CC(Oc1c(-c2ccccc2Cl)oc2ccccc2c1=O)C(=O)[O-] with a nitrile.,CC(Oc1c(-c2ccccc2C#N)oc2ccccc2c1=O)C(=O)[O-]
DelComponent,Modify the molecule COc1cccc(-c2ccc(=O)n(C3COCC3Nc3ncc(F)cn3)n2)c1 by removing a halo.,COc1cccc(-c2ccc(=O)n(C3COCC3Nc3ncccn3)n2)c1
LogP,Please modify the molecule O=C(CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O)NC1CCCCC1 to decrease its LogP value.,O=C(CN1CCCN(Cc2cccc(C(=O)[OH])c2)S1(=O)=O)NC1CCCCC1
MR,Please modify the molecule Cc1ccc(NC2CCOc3ccccc32)cc1C to increase its MR value.,Cc1cc(NC2CCOc3ccccc32)c(-c2ccccc2)cc1C
QED,Please optimize the molecule CC[NH2+]CC(Cc1cccc(C)c1)C(C)(C)C to have a lower QED value.,CC[NH2+]CC(CC)C(C)(C)C
AtomNum,"The molecule has 34 carbon atoms, 6 oxygen atoms, and 4 nitrogen atoms.",CCOc1cc2c(cc1C(=O)NCCNC(=O)OC(C)(C)C)C(=[NH2+])N(CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C2
BondNum,"The molecule is composed of 13 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1C=CCC(C(=O)[O-])C1C(=O)Nc1ccc(F)cc1F
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",C=CCN(CC=C)c1c(Cl)cccc1CO
AddComponent,Modify the molecule CC(=O)Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2CCC[NH+]2CCOCC2)n1 by adding a amine.,CC(=O)Nc1nccc(-c2c(-c3ccc(F)cc3N)ncn2CCC[NH+]2CCOCC2)n1
SubComponent,Substitute a halo in the molecule COC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc([N+](=O)[O-])c1 with a carboxyl.,COC(=O)c1cc(C(=O)Nc2cc(C(F)(F)C(=O)[OH])ccc2N2CCCCC2)cc([N+](=O)[O-])c1
DelComponent,Remove a halo from the molecule NNc1ccc(-c2c(-c3ccc(F)cc3F)nc3occn23)cn1.,NNc1ccc(-c2c(-c3ccccc3F)nc3occn23)cn1
LogP,Modify the molecule Cc1ccc(-c2cc(C(C)C[NH3+])cs2)cc1 to have a lower LogP value.,Cc1cc(C(C)C[NH3+])cs1
MR,Modify the molecule O=C(NCCS(=O)Cc1ccccc1)C1CCC[NH2+]1 to have a lower MR value.,O=S(Cc1ccccc1)CC1CCC[NH2+]1
QED,Modify the molecule CC(C)Oc1ccc(Nc2nc(NC3CCCCC3NC(=O)[O-])c(F)cc2C#N)cc1 to increase its QED value.,CC(C)Oc1ccc(Nc2nc(NC3CCCCC3NC(=O)[O-])ccc2C#N)cc1
AtomNum,"Please generate a molecule consisting 7 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",CC(=O)O[NH+]=C(N)c1ccc([N+](=O)[O-])o1
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 8 rotatable bonds, and 6 aromatic bonds.",CC(C)CCOC(C)C(=O)NC(C)Cc1ccc(Br)cc1
FunctionalGroup,"The molecule has 1 amide group, and 1 sulfide group.",CCOc1ccc2ccccc2c1C=C1SC(=S)N(CCCC(=O)[O-])C1=O
AddComponent,Please add a thiol to the molecule Nc1c(S(=O)(=O)NCC2CC2)c2nccnc2n1C1CCCCC1.,Nc1c(S(=O)(=O)NC(S)C2CC2)c2nccnc2n1C1CCCCC1
SubComponent,Modify the molecule halo by substituting a O=C1CCCc2cc(I)ccc2N1CCC1CC1 with a nitro.,ONc1ccc2c(c1)CCCC(=O)N2CCC1CC1
DelComponent,Remove a benzene ring from the molecule CCc1ccc2c(C[NH+]3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)cc(=O)oc2c1.,CCc1ccc2c(C[NH+]3CCN(S(=O)(=O)Br)CC3)cc(=O)oc2c1
LogP,Optimize the molecule CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C4(C#N)CC4)cc3)cc2)CC1 to have a lower LogP value.,CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C4(C(=O)[OH])CC4)cc3)cc2)CC1
MR,Please modify the molecule CCOC(=O)C(CCOc1c(F)cccc1F)[NH2+]C1CC1 to increase its MR value.,CCOC(=O)C(CCOc1ccccc1F)[NH2+]C1CC1
QED,Optimize the molecule CCN(C(=O)COC(=O)COc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O to have a higher QED value.,CCN(C(=O)COC(=O)COc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
AtomNum,"There is a molecule consisting of 19 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COc1cccc(C(CC(N)=O)N2Cc3ccccc3C2=O)c1OC
BondNum,"The molecule consists of 12 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",CC(C)c1nccc(N2CCN(c3cnccn3)C(C)C2)n1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",COc1ccc(C(CCO)C(C)(C)[NH3+])c(Cl)c1OC
AddComponent,Please add a benzene ring to the molecule CC(C[NH3+])N(C)S(=O)(=O)CC1CCCCC1.,CC(C[NH3+])N(C)S(=O)(=O)CC1CCCC(c2ccccc2)C1
SubComponent,Modify the molecule nitrile by substituting a CC(=O)C(C#N)=CCC(C)C with a thiol.,CC(=O)C(S)=CCC(C)C
DelComponent,Remove a CCC(C)NC(=O)c1ccccc1SC(F)(F)F from the molecule halo.,CCC(C)NC(=O)c1ccccc1SC(F)F
LogP,Please modify the molecule O=C(CNCC(F)(F)F)NC1CCOC1 to decrease its LogP value.,N#CC(F)(F)CNCC(=O)NC1CCOC1
MR,Please optimize the molecule C[NH+](C)CCCCNC(=O)Nc1cc(F)ccc1C(=O)[O-] to have a higher MR value.,C[NH+](C)CCCCNC(=O)Nc1ccccc1C(=O)[O-]
QED,Please modify the molecule O=c1[nH][nH]cc1C=Nc1cc(Cl)cc(Cl)c1 to decrease its QED value.,O=c1[nH][nH]cc1C=Nc1cc(S)cc(Cl)c1
AtomNum,"The molecule has 14 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1ccoc1C(C)[NH2+]C1CCCC(C)C1
BondNum,"The molecule contains 16 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",C=CC(=O)N1CCN(C(=O)CN2CCNc3ccccc32)CC1
FunctionalGroup,The molecule has and 1 amide group.,CCc1[nH+]ccn1C1CCCN(C(=O)NC2CCN(C(C)=O)C2)C1
AddComponent,Please add a hydroxyl to the molecule Cn1c(-c2cc3ccccc3s2)nc2c(C#N)cccc21.,Cn1c(-c2cc3c(O)cccc3s2)nc2c(C#N)cccc21
SubComponent,Please substitute a nitrile in the molecule CCOc1cc(CN(C(=O)c2cccc(C#N)c2)C2CC2)ccc1OC(F)F with a carboxyl.,CCOc1cc(CN(C(=O)c2cccc(C(=O)[OH])c2)C2CC2)ccc1OC(F)F
DelComponent,Please remove a amide from the molecule COc1ccc(-c2ccc(C=C(S)C(=O)NC3CC4CCC3C4)o2)cc1OCC(=O)NC(CC(C)C)C(=O)[O-].,COc1ccc(-c2ccc(C=C(S)C(=O)NC3CC4CCC3C4)o2)cc1OC(CC(C)C)C(=O)[O-]
LogP,Optimize the molecule O=C(CC[NH+]1CCCC(O)C1)Nc1cccc2ccccc12 to have a higher LogP value.,OC1CCC[NH+](Cc2cccc3ccccc23)C1
MR,Please optimize the molecule CC(=O)CCCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3C=CCC3)c2)CC1 to have a higher MR value.,CC(=O)CCCC(=O)NC(Cc1cccc(F)c1)C(O)C[NH2+]C1(c2cccc(N3C=CCC3)c2)CC1
QED,Please optimize the molecule CC(C)Nc1cc(N2C3CCC2COC3)nc(-c2ccc(NC(=O)Nc3ccc(OCC[NH+](C)C)cc3)cc2)n1 to have a higher QED value.,CC(C)c1cc(N2C3CCC2COC3)nc(-c2ccc(NC(=O)Nc3ccc(OCC[NH+](C)C)cc3)cc2)n1
AtomNum,"The molecule contains 26 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCCCn1ccc2c(CCC)c(OCCCCOc3ccc(-c4nn[n-]n4)cc3)ccc21
BondNum,"Please generate a molecule with 10 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)N(CC(N)=O)S(=O)(=O)c1ccc(N)cc1F
FunctionalGroup,The molecule contains and 2 benzene ring groups.,Cc1ccccc1-c1ccc2c3c4c(ccc3n(-c3ccccc3)c2c1C)C(C)(C)c1ccccc1-4
AddComponent,Please add a amine to the molecule CCNc1ccccc1C(=O)N1CCN(C)C(=O)C1.,CCNc1ccccc1C(=O)N1CC(=O)N(C)C(N)C1
SubComponent,Substitute a halo in the molecule C=CC(=O)N1CCN(c2nc(OCCN3CC(F)(F)C3)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1 with a hydroxyl.,C=CC(=O)N1CCN(c2nc(OCCN3CC(O)(F)C3)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1
DelComponent,Please remove a halo from the molecule O=S1(=O)C(F)=C(F)C2(F)C3C=CC(C4CC43)C21F.,O=S1(=O)C(F)=CC2(F)C3C=CC(C4CC43)C21F
LogP,Please modify the molecule COC(=O)Cc1ccc(C(C)(F)F)cc1 to decrease its LogP value.,COC(=O)Cc1ccc(C(C)(O)F)cc1
MR,Modify the molecule O=C(C[NH+]1CC2C[NH2+]CC2C1)Nc1cccnc1Cl to increase its MR value.,O=C(C[NH+]1CC2C[NH2+]CC2C1)Nc1cccnc1S
QED,Please optimize the molecule CC(C)Cn1ncc(NC2CCCC2)c(Br)c1=O to have a lower QED value.,CC(C)Cn1ncc(NC2CCCC2)cc1=O
AtomNum,"Please generate a molecule composed of 36 carbon atoms, 12 oxygen atoms, and 8 nitrogen atoms.",COc1cc(COC(=O)N(C)CCN(C)C(=O)n2ccc3c(N(C)C4CN(C(=O)CC#N)CCC4C)ncnc32)ccc1OC1OC(C(=O)[O-])C(O)C(O)C1O
BondNum,"The molecule has 14 single bonds, 1 double bond, and 1 rotatable bond.",CC1CN(C(=O)NC2CCC2)CCO1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 2 halo groups.",Cc1cc(C(=O)N(CCO)CC[NH+]2CCOCC2)c(Cl)cc1F
AddComponent,Please add a benzene ring to the molecule CC(C)(C)N(Cc1cccnc1S(=O)(=O)C1CCCC1)C(=O)[O-].,CC(C)(C)N(Cc1ccc(-c2ccccc2)nc1S(=O)(=O)C1CCCC1)C(=O)[O-]
SubComponent,Substitute a COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(Cl)cc5Cl)c(=O)cc4C)cc3F)ccnc2cc1OCCC[NH+]1CCC(C)CC1 in the molecule halo with a hydroxyl.,COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(O)cc5Cl)c(=O)cc4C)cc3F)ccnc2cc1OCCC[NH+]1CCC(C)CC1
DelComponent,Remove a benzene ring from the molecule CN(CCCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1.,CNCCCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1
LogP,Optimize the molecule CCCCCCNC(=O)c1cc(NN=Cc2ccncc2)nc2ccccc12 to have a lower LogP value.,CCCCCCc12ccccc1nc(NN=Cc1ccncc1)c-2
MR,Please modify the molecule CCCCCCc1ccc(-c2cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(-c3ccccc3Cl)cc2OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1 to decrease its MR value.,CCCCCCc1ccc(-c2cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)cc2OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1
QED,Please optimize the molecule O=C([O-])c1ccccc1Cn1ccnc1-c1cccc(Cl)c1 to have a higher QED value.,O=C([O-])Cn1ccnc1-c1cccc(Cl)c1
AtomNum,"The molecule has 22 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",C[NH+]=C(NC1C2CCOC2C1(C)C)N1CCC(COCc2ccccc2)C1
BondNum,"The molecule consists of 17 single bonds, 1 double bond, and 5 rotatable bonds.",CN(C(=O)CC[NH2+]C1CC1)C1CC[NH+](C)CC1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 2 amide groups.",Cc1ccc(NC(=O)c2ccc3nc(-c4c(C)cc(OCC(N)=O)cc4C)[nH]c3c2)cc1C
AddComponent,Add a benzene ring to the molecule CCN1CCCN(C(=O)C2CSCN2C(=O)c2ccc(Cl)cc2)CC1=O.,CCN1CCCN(C(=O)C2C(c3ccccc3)SCN2C(=O)c2ccc(Cl)cc2)CC1=O
SubComponent,Please substitute a nitrile in the molecule N#COC(=O)OCc1ccccc1 with a thiol.,O=C(OS)OCc1ccccc1
DelComponent,Remove a N#CCC1=CS(=O)(=O)c2c(Br)cccc21 from the molecule nitrile.,CC1=CS(=O)(=O)c2c(Br)cccc21
LogP,Optimize the molecule O=C(NNCc1c(F)cccc1F)C1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)OC1c1ccccc1 to have a lower LogP value.,O=C(NNCc1c(F)cccc1F)C1(Cc2cccc(O)c2)N=C(c2ccc(OCCCO)cc2)OC1c1ccccc1
MR,Please modify the molecule C[NH+]=C(NCCc1nc(-c2ccco2)n[nH]1)NCc1ccc(COCC(F)(F)F)cc1 to increase its MR value.,C[NH+]=C(NCCc1nc(-c2ccco2)n[nH]1)NCc1ccc(COCC(O)(F)F)cc1
QED,Modify the molecule CCc1cccc(CC)c1N(OC)C(=O)CO to have a lower QED value.,CCc1cccc(CC)c1N(OC)C(=O)CNO
AtomNum,"There is a molecule composed of 16 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 chlorine atom.",CCc1nn(CC)c(COc2c(C)ccc(N)c2C)c1Cl
BondNum,"Please generate a molecule consisting 22 single bonds, 4 double bonds, and 4 rotatable bonds.",NC(=O)C1(C(N)=O)CCCCCCCCNNNNC1(C(N)=O)C(N)=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amine groups, 1 halo group, and 1 sulfone group.",CCn1cc(CNc2cc(S(N)(=O)=O)ccc2Cl)cn1
AddComponent,Modify the molecule O=C(CCCCCNc1nc(Cl)nc(NCCCCCC(=O)ON2C(=O)CCC2=O)n1)ON1C(=O)CCC1=O by adding a amine.,NC(CCCCC(=O)ON1C(=O)CCC1=O)Nc1nc(Cl)nc(NCCCCCC(=O)ON2C(=O)CCC2=O)n1
SubComponent,Please substitute a halo in the molecule CCCn1nc(-c2ccc(O)cc2)c2cccc(C(F)(F)F)c21 with a hydroxyl.,CCCn1nc(-c2ccc(O)cc2)c2cccc(C(O)(F)F)c21
DelComponent,Modify the molecule CC1CCCC(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C1C by removing a amide.,CC1CCCC(N2C(=O)N(C)C3(CCCCC3)C2=O)C1C
LogP,Optimize the molecule CCc1ccc(S(=O)(=O)NCc2ccnn2C)cc1CO to have a higher LogP value.,CCc1ccc(S(=O)(=O)NCc2ccnn2C)cc1C
MR,Modify the molecule COc1ccc2ncc(F)c(CCCC3CC[NH+](CC#Cc4cc(F)cc(F)c4)CC3C(=O)[O-])c2c1 to increase its MR value.,COc1ccc2ncc(F)c(CCCC3(c4ccccc4)CC[NH+](CC#Cc4cc(F)cc(F)c4)CC3C(=O)[O-])c2c1
QED,Please modify the molecule COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCOc2ccccc2)ccc1Cl to decrease its QED value.,COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCOc2ccccc2)ccc1O
AtomNum,"The molecule contains 31 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 3 chlorine atoms, and 1 iodine atom.",COC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2C1c1cc(Cl)ccc1OC
BondNum,"There is a molecule composed of 14 single bonds, 3 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",COc1ccc(-n2nc(C(=O)N3CCOCC3)c(=O)n(Cc3ccc(C)cc3)c2=O)cc1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 1 amide group.",O=C(NCc1cccc(CN2CCCC2=O)c1)Nc1ccc(OC2CCCC2)cc1
AddComponent,Modify the molecule O=c1cc(C2CCCC2)[nH]c(CC2CCC[NH2+]2)n1 by adding a carboxyl.,O=C(O)C1CCC(c2cc(=O)nc(CC3CCC[NH2+]3)[nH]2)C1
SubComponent,Modify the molecule halo by substituting a Nc1ccc(S(=O)(=O)NCc2cscn2)c(Br)c1 with a carboxyl.,Nc1ccc(S(=O)(=O)NCc2cscn2)c(C(=O)[OH])c1
DelComponent,Remove a CC(C)NCC(C)S(=O)(=O)Nc1ccc(Cl)cc1Cl from the molecule halo.,CC(C)NCC(C)S(=O)(=O)Nc1ccc(Cl)cc1
LogP,Modify the molecule N#CC(=Cc1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 to decrease its LogP value.,O=C([O-])c1ccccc1C=C(O)S(=O)(=O)c1ccc(F)cc1
MR,Please modify the molecule C=CCn1c(SCC2CCCO2)nc2sc(-c3ccccc3)cc2c1=O to decrease its MR value.,C=CCn1c(SCC2CCCO2)nc2sccc2c1=O
QED,Please optimize the molecule CC(C)c1nc(-c2ccccc2Cc2ccccc2)cc(-c2ccc(F)cc2)c1C=CP([O-])(O)=CC(=O)CC(=O)[O-] to have a higher QED value.,CC(C)c1nc(-c2ccccc2Cc2ccccc2)cc(-c2ccc(C#N)cc2)c1C=CP([O-])(O)=CC(=O)CC(=O)[O-]
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 3 fluorine atoms.",CC(C)(C)OCC([NH3+])c1cnccc1C(F)(F)F
BondNum,"There is a molecule consisting of 31 single bonds, 4 double bonds, 14 rotatable bonds, and 18 aromatic bonds.",CC1OC(OP(=O)([O-])OP(=O)([O-])OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(OCc2ccccc2)C1OCc1ccccc1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 2 amide groups, and 3 halo groups.",O=C(NC1CCCCC1)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl
AddComponent,Modify the molecule COc1ccc(CN(Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1 by adding a nitrile.,COc1ccc(CN(Cc2cccc(C#N)c2)C(=O)NCc2ccc3c(c2)OCO3)cc1
SubComponent,Modify the molecule halo by substituting a CC(CN=C=O)Oc1ccccc1F with a nitro.,CC(CN=C=O)Oc1ccccc1NO
DelComponent,Please remove a benzene ring from the molecule CC1(C(=O)C(CC2CCCC2)NC(=O)C(Cc2ccc(C(N)=O)cc2)NC(=O)CNC(=O)C[NH+]2CCOCC2)CO1.,CC1(C(=O)C(CC2CCCC2)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C[NH+]2CCOCC2)CO1
LogP,Modify the molecule CCOc1ccc(S(=O)(=O)N2CCCC(NC(=O)c3ccc(Br)o3)C2)cc1 to decrease its LogP value.,CCOc1ccc(S(=O)(=O)N2CCCC(NC(=O)c3ccc(O)o3)C2)cc1
MR,Modify the molecule CCCOc1ccc2c(c1)C(c1ccccc1)=NC(O)C2 to have a lower MR value.,CCCOc1ccc2c(c1)C=NC(O)C2
QED,Please modify the molecule c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5c(c4)oc4c5ccc5c6ccccc6oc54)c3)c3ccccc23)cc1 to increase its QED value.,c1cc(-c2ccc3c(c2)oc2c3ccc3c4ccccc4oc32)cc(-c2c3ccccc3cc3ccccc23)c1
AtomNum,"There is a molecule with 15 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",Cn1ccc(CC(=O)c2cc(N)c3ccccc3[nH+]2)n1
BondNum,"There is a molecule composed of 16 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
FunctionalGroup,"The molecule has 1 amide group, and 1 sulfone group.",CCCN1CCN(C(=O)c2ccc(C)nc2)C2CS(=O)(=O)CC21
AddComponent,Please add a amine to the molecule CC(C1CC1)N(CC(F)(F)F)C(=O)c1cccc(N)c1Cl.,CC(N)(C1CC1)N(CC(F)(F)F)C(=O)c1cccc(N)c1Cl
SubComponent,Modify the molecule halo by substituting a CC(C)(C)OC(=O)[N-]S(=O)(=O)NCCSc1nsnc1C(NO)=[NH+]c1ccc(F)c(Br)c1 with a thiol.,CC(C)(C)OC(=O)[N-]S(=O)(=O)NCCSc1nsnc1C(NO)=[NH+]c1ccc(S)c(Br)c1
DelComponent,Modify the molecule CN1CCN(CC([NH3+])c2ccccc2)C1=O by removing a benzene ring.,CN1CCN(CC[NH3+])C1=O
LogP,Modify the molecule O=C(Cc1ccc(Cl)cc1)NC12CCC(=O)C3Oc4c(O)ccc5c4C31CC[NH+](CC1CC1)C2C5 to have a lower LogP value.,O=C(CCl)NC12CCC(=O)C3Oc4c(O)ccc5c4C31CC[NH+](CC1CC1)C2C5
MR,Please optimize the molecule CCCNC(=O)C(C)Nc1ncc(Br)cc1Cl to have a higher MR value.,CCCNC(=O)C(C)(Nc1ncc(Br)cc1Cl)c1ccccc1
QED,Modify the molecule CC(C)(C)c1oc(C(N)=O)cc1C[NH+]1CCC(Nc2ncccn2)C(O)C1 to decrease its QED value.,CC(C)(C)c1oc(C(N)=O)cc1C[NH+]1CCC(Nc2ncccn2)C(S)C1
AtomNum,"There is a molecule with 16 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",Cc1nn(Cc2cc(Cl)c3c(c2)OCCO3)c(=O)c(C#N)c1C
BondNum,"Please generate a molecule consisting 10 single bonds, 3 rotatable bonds, and 16 aromatic bonds.",CC([NH2+]C1c2ccccc2CC1O)c1c[nH]c2cc(F)ccc12
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 3 halo groups, and 1 nitrile group.",N#Cc1cc(Cl)ccc1Oc1cc(Cl)cc(Cl)c1
AddComponent,Modify the molecule Cc1cnc(C(=O)[O-])c2sccc12 by adding a hydroxyl.,Cc1cnc(C(=O)[O-])c2scc(O)c12
SubComponent,Modify the molecule halo by substituting a Cc1cc(C2=NC(C)(CC=C(Cl)Cl)Cc3ccccc32)cnc1C with a aldehyde.,CC(=O)C(Cl)=CCC1(C)Cc2ccccc2C(c2cnc(C)c(C)c2)=N1
DelComponent,Modify the molecule halo by removing a Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(C(=O)Nc3ccccc3C)c(Cl)c2)CC1.,Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(C(=O)Nc3ccccc3C)cc2)CC1
LogP,Please optimize the molecule O=C([O-])Cc1ccc2scc(Br)c2c1CO to have a lower LogP value.,O=C([O-])C(O)c1ccc2scc(Br)c2c1CO
MR,Please modify the molecule CCCCCCCc1ccc(C2CCC(CCCCC)OC2)cc1 to increase its MR value.,CCCCCCCc1ccc(C2CCC(CCCC(C)O)OC2)cc1
QED,Please modify the molecule C=CCNC(=O)C(C)Nc1ccc(C)cc1C to decrease its QED value.,C=CCNC(=O)C(C)Nc1ccc(CCC=O)cc1C
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC1C[NH+](C(C)C(=O)NC(C)(C#N)C(C)C)CC(C)(C)O1
BondNum,"The molecule is composed of 9 single bonds, 1 triple bond, 3 rotatable bonds, and 11 aromatic bonds.",CC(Nc1ccc(C#N)cc1C(F)(F)F)c1cccs1
FunctionalGroup,"There is a molecule with 1 amide group, 1 amine group, and 1 nitrile group.",Cc1c(C#N)c(N)n(C2CCC(=O)N(C)C2)c1C
AddComponent,Add a hydroxyl to the molecule CCC(C)C(O)CNC(=O)c1ccccc1-n1cccn1.,CCC(C)C(O)CNC(=O)c1ccccc1-n1ccc(O)n1
SubComponent,Modify the molecule halo by substituting a C[NH+](C)CCCNc1cc[nH+]c(C(=O)Nc2cccc(Cl)c2)c1 with a hydroxyl.,C[NH+](C)CCCNc1cc[nH+]c(C(=O)Nc2cccc(O)c2)c1
DelComponent,Please remove a amine from the molecule CNS(=O)(=O)CCNC1COc2cc(O)ccc21.,CS(=O)(=O)CCNC1COc2cc(O)ccc21
LogP,Modify the molecule CC(CO)CC(C(=O)OC(C)C)C(=O)OC(C)C to have a higher LogP value.,CC(CC(=O)[OH])CC(C(=O)OC(C)C)C(=O)OC(C)C
MR,Please optimize the molecule O=C(C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCOCC2(CCC2)C1 to have a lower MR value.,O=C1C2CC3(CCC3)COCC2CN1c1ccc2c(c1)OCCO2
QED,Please optimize the molecule CCC(C)C(NC(=O)Cc1ccccc1F)C(=O)NC1(C(=O)NC(C(=O)NCC(CC)P(=O)([O-])[O-])C(C)CC)CCc2[nH]c3c(C(F)(F)F)cccc3c2C1 to have a higher QED value.,CCC(C)C(NC(=O)Cc1ccccc1O)C(=O)NC1(C(=O)NC(C(=O)NCC(CC)P(=O)([O-])[O-])C(C)CC)CCc2[nH]c3c(C(F)(F)F)cccc3c2C1
AtomNum,"There is a molecule composed of 21 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 2 chlorine atoms.",O=C1CCCC2=C1C(c1ccc(Cl)cc1)n1nc(-c3cccc(Cl)c3)nc1N2
BondNum,"There is a molecule composed of 9 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",[NH3+]C(Cc1[nH+]cc2n1CCN2)C(=O)[O-]
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, and 1 sulfide group.",COc1cccc(Cc2nc(N)cs2)c1
AddComponent,Modify the molecule O=C(NCc1cccc(-c2cc(F)c([O-])c(F)c2)c1)C1CCCN1S(=O)(=O)c1ccc(F)cc1 by adding a benzene ring.,O=C(NCc1cccc(-c2cc(F)c([O-])c(F)c2)c1)C1CCCN1S(=O)(=O)c1ccc(F)cc1-c1ccccc1
SubComponent,Substitute a COc1ccc(C)c2c1NC(C#N)C2 in the molecule nitrile with a nitro.,COc1ccc(C)c2c1NC(NO)C2
DelComponent,Modify the molecule amine by removing a CCOC(=O)Nc1cc(NC(C)C(=O)CN(C)c2ccc(OC)cc2)c([N+](=O)[O-])c(N)n1.,CCOC(=O)Nc1cc(C(C)C(=O)CN(C)c2ccc(OC)cc2)c([N+](=O)[O-])c(N)n1
LogP,Please modify the molecule CC(C)c1ccccc1Oc1cccnc1C(N)=[NH2+] to decrease its LogP value.,CC(C)c1ccc(O)cc1Oc1cccnc1C(N)=[NH2+]
MR,Please optimize the molecule Cc1cc([N+](=O)[O-])ccc1N1CCC(CCO)C1 to have a higher MR value.,Cc1cc([SH]=O)ccc1N1CCC(CCO)C1
QED,Please optimize the molecule CCC(=O)N1CCC(NC(NCCCC[NH+]2CCOCC2)=[NH+]C)C1 to have a higher QED value.,C[NH+]=C(NCCCC[NH+]1CCOCC1)NC1CC(C)C1
AtomNum,"There is a molecule consisting of 34 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",CC(C)NC(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Br)c(C(=O)NC(C)C)c3)C(C)C)CC2)ccc1Cl
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 5 rotatable bonds, and 24 aromatic bonds.",Cc1cc(C)c(N=P(Nc2ccccn2)(c2ccccc2)c2ccccc2)c(C)c1
FunctionalGroup,"The molecule has 2 thioether groups, and 1 sulfide group.",O=C([O-])C1C[NH2+]C2CCSCC2C1
AddComponent,Please add a benzene ring to the molecule CNc1nc(Nc2ccc(F)c(C)c2)c2cc(C)sc2n1.,CNc1nc(Nc2cc(C)c(F)c(-c3ccccc3)c2)c2cc(C)sc2n1
SubComponent,Substitute a halo in the molecule O=C(Nc1ccc(Cl)cn1)C1CCCc2ccccc21 with a nitro.,ONc1ccc(NC(=O)C2CCCc3ccccc32)nc1
DelComponent,Please remove a COC(C)CN(C)c1c(N)c[nH+]c2sc(C)nc12 from the molecule amine.,COC(C)CN(C)c1cc[nH+]c2sc(C)nc12
LogP,Please optimize the molecule Cc1cc(C(=O)Nc2ccccc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2c(C)cccc2C(=O)Nc2ccc(F)c(F)c2)CC1 to have a higher LogP value.,Cc1cc(C(=O)Nc2ccccc2S)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2c(C)cccc2C(=O)Nc2ccc(F)c(F)c2)CC1
MR,Please modify the molecule O=C(SCC1OC(O)C(SC(=O)c2ccccc2)C(SC(=O)c2ccccc2)C1SC(=O)c1ccccc1)c1ccccc1 to decrease its MR value.,O=C(SCC1OCC(SC(=O)c2ccccc2)C(SC(=O)c2ccccc2)C1SC(=O)c1ccccc1)c1ccccc1
QED,Optimize the molecule Cc1ccc(C[NH2+]C(C)c2ccc(O)cc2F)o1 to have a lower QED value.,Cc1ccc(C[NH2+]C(C)c2ccc(O)cc2)o1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 7 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",COCCn1c(=NC(=O)CS(=O)(=O)CC(=O)N2CCCCCC2)sc2cc(C(=O)OC)ccc21
BondNum,"Please generate a molecule with 15 single bonds, 9 rotatable bonds, and 6 aromatic bonds.",CCCCN(CCC[NH2+]C1CCCC1)c1ccccc1
FunctionalGroup,"The molecule contains 1 hydroxyl group, 2 amide groups, and 1 sulfide group.",CC(O)C(C(=O)N1CCOCC1)N(C(=O)C1CCCCC1)c1cc(C#CC(C)(C)C)sc1C(=O)[O-]
AddComponent,Modify the molecule COc1ccc(N2CCN(C([NH+]=C(C)Nc3ccccc3C)=[NH+]CCC(C)C)CC2(C)C)cc1 by adding a hydroxyl.,COc1ccc(N2C(O)CN(C([NH+]=C(C)Nc3ccccc3C)=[NH+]CCC(C)C)CC2(C)C)cc1
SubComponent,Modify the molecule CCOc1ccc(CCNC(=O)c2cc(Cl)ccc2NC(=O)C2=C(C)OCCS2)cc1 by substituting a halo with a carboxyl.,CCOc1ccc(CCNC(=O)c2cc(C(=O)[OH])ccc2NC(=O)C2=C(C)OCCS2)cc1
DelComponent,Modify the molecule benzene ring by removing a CC1CCCN(S(=O)(=O)CCCc2ccccc2)C1.,CCCS(=O)(=O)N1CCCC(C)C1
LogP,Optimize the molecule COc1cccc(NC(=O)CSc2ccccc2C(=O)OCCOc2ccccc2Cl)c1 to have a lower LogP value.,COc1cccc(NC(=O)CSc2ccccc2C(=O)OCCOc2ccccc2C(=O)[OH])c1
MR,Modify the molecule CC=C(C=CCC(F)F)Cc1ncccc1-c1cccc2ccnn12 to increase its MR value.,CC=C(C=CCC(F)NO)Cc1ncccc1-c1cccc2ccnn12
QED,Modify the molecule CC[NH2+]CC(C)(C)COCc1ccccc1Cl to have a lower QED value.,CC[NH2+]CC(C)(C)COCc1ccccc1O
AtomNum,"Please generate a molecule composed of 27 carbon atoms, 4 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",CCOc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 18 aromatic bonds.",N#CC(=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1
FunctionalGroup,The molecule consists of and 1 amide group.,CN(C)NC(=O)CCCc1ccc2c(c1)ncn2C
AddComponent,Modify the molecule CCn1c(Sc2ccc(C(F)(F)F)nn2)nnc1-c1cccnc1 by adding a benzene ring.,CCn1c(Sc2ccc(C(F)(F)F)nn2)nnc1-c1cncc(-c2ccccc2)c1
SubComponent,Modify the molecule CC(CC#N)N(C)C(=O)N1CCCC1CC(=O)[O-] by substituting a nitrile with a carboxyl.,CC(CC(=O)[OH])N(C)C(=O)N1CCCC1CC(=O)[O-]
DelComponent,Remove a halo from the molecule CCCCCCOCc1cc(Cl)ccn1.,CCCCCCOCc1ccccn1
LogP,Please optimize the molecule CC(Cc1ccco1)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl to have a higher LogP value.,CC(Cc1ccco1)[NH2+]c1c(Cl)cccc1Cl
MR,Please modify the molecule CCCC1SCC(C(=O)[O-])N1C(=O)C1CCC([NH3+])CC1 to decrease its MR value.,CCCC12CCC([NH3+])CCC1(C(=O)[O-])CS2
QED,Please optimize the molecule C=CC(C=C(CC(CC)CCCC)C(=O)[O-])C(=O)[O-] to have a higher QED value.,C=CC(C(=O)[O-])C(=C(CC(CC)CCCC)C(=O)[O-])c1ccccc1
AtomNum,"The molecule contains 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",COc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
BondNum,"The molecule is composed of 12 single bonds, and 3 rotatable bonds.",C[NH2+]C1(CN)CCCCC1OC
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,O=C1NC2(CCOCC2)C(=O)N1C1CCCOc2ccccc21
AddComponent,Modify the molecule Nc1cccc(SC2SCC(O)C(O)C2O)c1 by adding a amine.,Nc1cccc(SC2SC(N)C(O)C(O)C2O)c1
SubComponent,Modify the molecule halo by substituting a O=C(Nc1ccncc1F)NC1CCCCC1 with a nitro.,ONc1cnccc1NC(=O)NC1CCCCC1
DelComponent,Please remove a nitrile from the molecule CCC(C)(C)NC(=O)NC1c2cc(C#N)ccc2OC(COC)(COC)C1O.,CCC(C)(C)NC(=O)NC1c2ccccc2OC(COC)(COC)C1O
LogP,Modify the molecule CC[NH2+]C(C)CC(=O)Cc1c(Br)c(CC)nn1C to decrease its LogP value.,CC[NH2+]C(C)CC(=O)Cc1cc(CC)nn1C
MR,Modify the molecule Cc1c(C(=O)N(CCO)C2CC2)cnn1-c1ccccc1F to increase its MR value.,CC(=O)c1ccccc1-n1ncc(C(=O)N(CCO)C2CC2)c1C
QED,Modify the molecule CC12CN(C(=O)Nc3nc4ccccn4n3)CC1C1CCC2C1 to decrease its QED value.,CC12CN(C(=O)Nc3nc4ccccn4n3)C(C(=O)O)C1C1CCC2C1
AtomNum,"Please generate a molecule composed of 32 carbon atoms, and 2 oxygen atoms.",O=CCCC1CCC(c2ccc(C#Cc3ccc(C4CCC(CCC=O)CC4)cc3)cc2)CC1
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 1 rotatable bond, and 11 aromatic bonds.",Nc1ccc(N2CCNC(=O)CC2)c2ncccc12
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 hydroxyl group.",C[NH2+]CC(O)c1ccc(N2CCOCC2)cc1
AddComponent,Add a hydroxyl to the molecule O=C(OCc1ccccc1)OC1[NH2+]CC2CCCC21.,O=C(OCc1ccccc1O)OC1[NH2+]CC2CCCC21
SubComponent,Modify the molecule halo by substituting a CCOC(=O)C1=C(NC(=O)c2ccccc2)SC(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C1=O with a thiol.,CCOC(=O)C1=C(NC(=O)c2ccccc2)SC(=Cc2cc(S)c(OCc3ccc(Cl)cc3)c(Br)c2)C1=O
DelComponent,Remove a benzene ring from the molecule C=CCC(C(C)=CN(C(=O)OC(C)(C)C)c1ccc(OC)cc1)c1ccccc1.,C=CCCC(C)=CN(C(=O)OC(C)(C)C)c1ccc(OC)cc1
LogP,Modify the molecule CC[NH2+]C(c1cc(Br)ccc1OC)c1sccc1OC to decrease its LogP value.,CC[NH2+]C(c1cc(Br)ccc1OC)c1sccc1OCO
MR,Modify the molecule CCc1cc(=O)c2cc(NC(=O)C3CCCC(F)(F)C3)ccc2[nH]1 to have a higher MR value.,CC(=O)C1(F)CCCC(C(=O)Nc2ccc3[nH]c(CC)cc(=O)c3c2)C1
QED,Modify the molecule Cc1nc(-c2ccc3c(c2)N(CC(=O)OC2CCC(C(C)(C)C)CC2)C(=O)CO3)cs1 to have a higher QED value.,Cc1nc(-c2ccc3c(c2)N(CC(=O)OC2CCC(N)(C(C)(C)C)CC2)C(=O)CO3)cs1
AtomNum,"The molecule consists of 23 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CC1(C)CC(=O)c2c(nc3c(c2-c2cccc([N+](=O)[O-])c2)C(=O)CC(C)(C)C3)C1
BondNum,"Please generate a molecule consisting 18 single bonds, 1 double bond, 9 rotatable bonds, and 10 aromatic bonds.",CCN(CC)c1ccc2nnc(CCC(=O)NCC[NH+]3CCOCC3)n2n1
FunctionalGroup,"The molecule has 1 ketone group, and 1 ester group.",CCCC(C(=O)OCC)C(=O)c1ccc2nccnc2c1
AddComponent,Add a benzene ring to the molecule COc1cccc(C(=O)[O-])c1C[NH+](C)C.,COc1cccc(C(=O)[O-])c1C[NH+](C)Cc1ccccc1
SubComponent,Modify the molecule halo by substituting a C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccccc2I)c1=O with a nitro.,C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccccc2NO)c1=O
DelComponent,Remove a benzene ring from the molecule CCCc1nc([O-])c(-c2ccc(C)cc2)c(=O)[nH]1.,CCCc1nc([O-])c(C)c(=O)[nH]1
LogP,Please modify the molecule c1ccc(-c2cc3c(cc2-c2ccccc2)C(N(c2ccccc2)c2ccccc2)c2ccccc2C3N(c2ccccc2)c2ccccc2)cc1 to decrease its LogP value.,c1ccc(NC2c3ccccc3C(N(c3ccccc3)c3ccccc3)c3cc(-c4ccccc4)c(-c4ccccc4)cc32)cc1
MR,Please modify the molecule N#CCCCCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 to increase its MR value.,N#CCCCCSc1nnc(-c2ccccc2C(=O)[OH])n1C1CCCC1
QED,Please modify the molecule CC1=Nc2c(c(=O)[nH]n2C(C)C)C(c2ccc(O)c(Cl)c2)S1 to increase its QED value.,CC1=Nc2c(c(=O)[nH]n2C(C)C)C(c2ccc(O)cc2)S1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 3 nitrogen atoms, and 1 chlorine atom.",Cc1cnc(Nc2ccc(CCCl)cc2)nc1
BondNum,"Please generate a molecule composed of 19 single bonds, 1 double bond, and 7 rotatable bonds.",CC(C)C[NH2+]CC1CCC[NH+](CC(=O)NC2CC2)C1
FunctionalGroup,"Please generate a molecule consisting 2 ketone groups, and 2 amide groups.",CCCCCC(NC(=O)C(NC(=O)NC(C(C)=O)C(C)C)C(C)C)C(=O)NC(C=CC(C)=O)C(C)C
AddComponent,Modify the molecule Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc(-c3ccccc3)cc2)c[n+]1C by adding a benzene ring.,Cc1cc(F)ccc1-c1c(-c2ccc(F)c(-c3ccccc3)c2)nc(-c2ccc(-c3ccccc3)cc2)c[n+]1C
SubComponent,Please substitute a C[NH+]1CCC(c2ccccc2C(=O)C#N)C1 in the molecule nitrile with a aldehyde.,CC(=O)C(=O)c1ccccc1C1CC[NH+](C)C1
DelComponent,Remove a CC1CN(C(=O)CNc2ccc(Cl)c(C(N)=O)c2)CCO1 from the molecule amine.,CC1CN(C(=O)Cc2ccc(Cl)c(C(N)=O)c2)CCO1
LogP,Optimize the molecule CC(C)(C)OC(=O)NC1CCCCN1c1ncc(C(F)(F)F)cc1Cl to have a lower LogP value.,CC(C)(C)OC(=O)NC1CCCCN1c1ncc(C(F)F)cc1Cl
MR,Please modify the molecule CCCC[NH2+]C(C(C)C)C(O)c1ccc(Cl)c(C)c1 to increase its MR value.,CCCC[NH2+]C(C(C)C)C(O)c1ccc(S)c(C)c1
QED,Modify the molecule CN(C)C(=O)c1cc(Cl)cc(CC[NH+]2CCC(Cc3cc(F)ccc3Br)CC2)c1 to increase its QED value.,CN(C)C(=O)C(Cl)C[NH+]1CCC(Cc2cc(F)ccc2Br)CC1
AtomNum,"There is a molecule consisting of 15 carbon atoms, and 1 nitrogen atom.",CC[NH2+]C(C1CCC(C)CC1)C(C)C(C)C
BondNum,"The molecule is composed of 16 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCCC2)c(F)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amide groups, and 1 halo group.",Cc1cc(NC(=O)C2CCN(C)C(=O)C2)n(-c2ccccc2F)n1
AddComponent,Add a hydroxyl to the molecule COc1cccc(CN2CC3(CCN(C(=O)c4ccc(N)nc4)CC3)CC2=O)c1.,COc1ccc(O)c(CN2CC3(CCN(C(=O)c4ccc(N)nc4)CC3)CC2=O)c1
SubComponent,Substitute a C[NH+](CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccc(Br)cn1 in the molecule halo with a nitro.,C[NH+](CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccc(NO)cn1
DelComponent,Remove a hydroxyl from the molecule COCC1C(O)C(C)C=C(C)CC12OC(C)CC(C)O2.,COCC1CC(C)C=C(C)CC12OC(C)CC(C)O2
LogP,Modify the molecule CC(NC(=O)NC1CCC[NH2+]C1)C1CCCCC1 to have a lower LogP value.,CC(NC(=O)NC1C[NH2+]CCC1C(=O)O)C1CCCCC1
MR,Modify the molecule COc1ccccc1NC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1Cl to have a lower MR value.,COc1ccccc1NC(=O)COC(=O)c1cccc(S(N)(=O)=O)c1
QED,Modify the molecule Cc1cc(C)c(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1C to have a lower QED value.,Cc1cc(C)c(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1CC#N
AtomNum,"There is a molecule consisting of 24 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Nc1c(F)c(NCCOc2ccc(Cl)cc2)c2c3c1c(=O)c(C(=O)[O-])cn3C1(CCCC1)CO2
BondNum,"The molecule consists of 19 single bonds, 3 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CC(C)(C(=O)NC1CCCN(S(=O)(=O)c2cccs2)C1)C1CCCC1
FunctionalGroup,"There is a molecule consisting of 4 benzene ring groups, 1 ketone group, 1 ester group, and 2 amine groups.",CCCc1ccc(-c2ccc(C(=O)C=Cc3ccc(OCCCCCOC(=O)c4cc(N)cc(N)c4)cc3)cc2)cc1
AddComponent,Add a hydroxyl to the molecule CC(C(=O)C(CC1CC[NH2+]CC1)C(O)c1ccccc1)c1ccccc1.,CC(C(=O)C(CC1CC[NH2+]CC1)C(O)c1cccc(O)c1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(NC(=O)c3ccccc3F)ccc2F)CC1 with a thiol.,Cc1cc(C(=O)Nc2c(F)cccc2S)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(NC(=O)c3ccccc3F)ccc2F)CC1
DelComponent,Please remove a benzene ring from the molecule COc1cc(C=CC2OCCO2)ccc1OCc1nc(-c2ccccc2)oc1C.,COc1cc(C=CC2OCCO2)ccc1OCc1ncoc1C
LogP,Modify the molecule O=C(c1ccc(F)cc1)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C1CC1 to decrease its LogP value.,O=C(CN(C(=O)c1ccc(F)cc1)C1(O)CC1)N1c2ccccc2-n2cccc2C1c1ccco1
MR,Modify the molecule CC(C)Nc1ncc2c(n1)N(C1CCC(O)(C(=O)[O-])CC1)C(Nc1c(F)cc(F)cc1F)N2 to have a higher MR value.,CC(C)Nc1ncc2c(n1)N(C1CCC(O)(C(=O)[O-])CC1)C(Nc1c(F)cc(F)cc1NO)N2
QED,Modify the molecule COC(=O)c1cc(N2CC(=O)NC(=O)C2(C)C)ccc1N to increase its QED value.,COC(=O)NN1CC(=O)NC(=O)C1(C)C
AtomNum,"The molecule consists of 22 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 fluorine atoms.",CCn1ncc2c(NC3CCOCC3)c(C(=O)NCCc3c(F)cccc3F)c[nH+]c21
BondNum,"Please generate a molecule with 16 single bonds, 5 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",COC(=O)C1=C(C)N=c2sc(=Cc3ccc(F)cc3)c(=O)n2C1c1cc(OC)c(OC)c(OC)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 hydroxyl group.",COc1cccc(OC)c1C(O)C1CC2CCC1C2
AddComponent,Modify the molecule CSCCn1c(=NC(=O)c2ccccc2)sc2cc(F)ccc21 by adding a carboxyl.,CSCC(C(=O)O)n1c(=NC(=O)c2ccccc2)sc2cc(F)ccc21
SubComponent,Please substitute a thiol in the molecule Cc1ccc(C(=O)NS)cc1C with a nitrile.,Cc1ccc(C(=O)NC#N)cc1C
DelComponent,Please remove a hydroxyl from the molecule Cc1cn(C2CC(O)C(COS(=O)(=O)[O-])O2)c(=O)[nH]c1=O.,Cc1cn(C2CCC(COS(=O)(=O)[O-])O2)c(=O)[nH]c1=O
LogP,Please optimize the molecule CC(C)N1C(=O)NC2C[NH+](Cc3ncc(-c4cccc(Cl)c4)o3)CCC21 to have a lower LogP value.,CC(C)N1C(=O)NC2C[NH+](Cc3ncc(-c4ccccc4)o3)CCC21
MR,Modify the molecule Cc1ncccc1C(NN)c1ccc2cccnc2c1 to decrease its MR value.,Cc1ncccc1C(N)c1ccc2cccnc2c1
QED,Modify the molecule NC(=O)C1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1 to increase its QED value.,O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)N2CCCC2)c1
AtomNum,"The molecule has 18 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCOC1CC(CC(Cc2ccc(C)c(C)c2)[NH2+]C)C1
BondNum,"The molecule has 28 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)C[NH+]1CCOCCOCC[NH+](CC(=O)OCC)Cc2ccccc2OCCOc2ccccc2C1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 nitro group, 2 halo groups, and 1 sulfide group.",CC(C)n1nnnc1Sc1ccc([N+](=O)[O-])c(OC(F)F)c1
AddComponent,Add a carboxyl to the molecule CC(C)C1(OC(=O)C23CC4CC(CC(C4)C2)C3)CC2CCC1C2.,CC(C)(C(=O)O)C1(OC(=O)C23CC4CC(CC(C4)C2)C3)CC2CCC1C2
SubComponent,Please substitute a CN(CC1(CO)CC1)C(=O)NC1CCC2CCCC2C1 in the molecule hydroxyl with a carboxyl.,CN(CC1(CC(=O)[OH])CC1)C(=O)NC1CCC2CCCC2C1
DelComponent,Please remove a O=S(=O)(Nc1cc(F)cc(Cl)c1)c1cc(F)ccc1CO from the molecule halo.,O=S(=O)(Nc1cccc(Cl)c1)c1cc(F)ccc1CO
LogP,Optimize the molecule CC[NH2+]CCc1nnc(C2CCC(F)(F)CC2)s1 to have a lower LogP value.,CC[NH2+]CC(C(=O)O)c1nnc(C2CCC(F)(F)CC2)s1
MR,Please optimize the molecule CC=C(C)c1c(-c2ccccc2)ncn1C1CCC[NH2+]C1 to have a lower MR value.,CC=C(C)c1cncn1C1CCC[NH2+]C1
QED,Modify the molecule [NH3+]C(COC1(C(=O)[O-])CCCCCC1)Cc1ccccc1 to decrease its QED value.,CC([NH3+])COC1(C(=O)[O-])CCCCCC1
AtomNum,"The molecule consists of 27 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)C2c2ccc(OCC)cc2)cc1
BondNum,"There is a molecule consisting of 11 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",COc1cccc(N2CCn3ccnc3C2)c1C(C)[NH3+]
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 1 amide group.",Cc1cccc(OCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1
AddComponent,Add a hydroxyl to the molecule CCC(=O)Nc1ccc(S(=O)(=O)NCCC(O)c2cccc3ccccc23)c(C)c1.,CCC(=O)Nc1ccc(S(=O)(=O)NCC(O)C(O)c2cccc3ccccc23)c(C)c1
SubComponent,Modify the molecule halo by substituting a CCc1nc(CC(N)=O)nn1-c1ccc(Cl)c(Cl)c1 with a hydroxyl.,CCc1nc(CC(N)=O)nn1-c1ccc(O)c(Cl)c1
DelComponent,Modify the molecule benzene ring by removing a CCN(CC)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OC[NH+](CCCc2ccccc2)C4)cc1.,CCC[NH+]1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(N(CC)CC)cc1)C3=O
LogP,Optimize the molecule CCC(C#N)(CCCOC1CC(C)OC(C)C1)NC to have a higher LogP value.,CCC(C#N)(CCCOC1CC(C)OC(Cc2ccccc2)C1)NC
MR,Please optimize the molecule COc1ccc(NC(=O)c2cc(N(C)c3ccccc3)cc[nH+]2)cc1OC to have a lower MR value.,CON(OC)C(=O)c1cc(N(C)c2ccccc2)cc[nH+]1
QED,Optimize the molecule CCC[NH2+]CC(C)(C)C[NH+](C)C1CCOC1C to have a higher QED value.,CCC[NH2+]CC(C)(C)C[NH+](Cc1ccccc1)C1CCOC1C
AtomNum,"There is a molecule consisting of 25 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1ccc2cc(C(=O)NCCCC(=O)N3CCc4ccccc4C3)c(C)nc2c1
BondNum,"There is a molecule composed of 12 single bonds, 1 rotatable bond, and 22 aromatic bonds.",Cc1cc2nc3n(c2cc1C)C(C)(c1ccc2c(c1)OCO2)Nc1ccccc1-3
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",CC1CCC(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2C(C)C)CC1
AddComponent,Please add a benzene ring to the molecule CCCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21.,CCCNC(=O)CN1C(=O)COc2ccc(C(=O)C(Oc3cccc(F)c3)c3ccccc3)cc21
SubComponent,Modify the molecule halo by substituting a Nc1nc(CSc2ccc(Cl)cn2)nc2sc3c(c12)CCCC3 with a carboxyl.,Nc1nc(CSc2ccc(C(=O)[OH])cn2)nc2sc3c(c12)CCCC3
DelComponent,Modify the molecule halo by removing a O=C(Cc1cccc(CC(=O)OCc2ccccc2)c1I)OCc1ccccc1.,O=C(Cc1cccc(CC(=O)OCc2ccccc2)c1)OCc1ccccc1
LogP,Modify the molecule O=c1oc2ccc(Br)cc2cc1CSc1ncc[nH]1 to decrease its LogP value.,O=C([OH])c1ccc2oc(=O)c(CSc3ncc[nH]3)cc2c1
MR,Optimize the molecule COC(=O)C(NCc1ccc(F)cc1)[N+](=O)[O-] to have a higher MR value.,COC(=O)C(NCc1ccc(S)cc1)[N+](=O)[O-]
QED,Please optimize the molecule COc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3F)c2cc1C(N)=O to have a lower QED value.,COc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3NO)c2cc1C(N)=O
AtomNum,"There is a molecule with 24 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3)n2-c2ccccc2)cc1
BondNum,"Please generate a molecule with 20 single bonds, 4 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C(Nc1cccc(Cl)c1Cl)C1[NH2+]C(CN2CCOCC2)=C2C=CC=CN21
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 ketone group.",CCC(=O)c1ccc(-n2nnnc2C(C)C)cc1
AddComponent,Add a benzene ring to the molecule c1nn(C2CCOCC2)c2c1C[NH2+]C2.,c1ccc(C2CC(n3ncc4c3C[NH2+]C4)CCO2)cc1
SubComponent,Please substitute a CCCCc1ccc(N=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 in the molecule halo with a carboxyl.,CCCCc1ccc(N=Cc2ccc3c(ccn3Cc3cccc(C(=O)[OH])c3)c2)cc1
DelComponent,Modify the molecule CSCCC([NH3+])C(=O)NC(CC(N)=O)C(=O)NC(CO)C(O)C(O)C(O)C(=O)NC(CC(=O)[O-])c1ccccc1 by removing a hydroxyl.,CSCCC([NH3+])C(=O)NC(CC(N)=O)C(=O)NC(CO)C(O)C(O)CC(=O)NC(CC(=O)[O-])c1ccccc1
LogP,Modify the molecule CC(C)n1c(CO)nnc1C1Cc2ccccc2C1 to have a higher LogP value.,Cc1nnc(C2Cc3ccccc3C2)n1C(C)C
MR,Please modify the molecule CC(C)[NH+]1CCCC1Cc1nc(C2CCC[NH2+]2)no1 to increase its MR value.,CC(Cc1ccccc1)[NH+]1CCCC1Cc1nc(C2CCC[NH2+]2)no1
QED,Please optimize the molecule CCCOc1ccc(N2C(=O)C(O)=C(c3ccc(OCC)c(OCC)c3)C2c2ccc(OC(C)=O)cc2)cc1 to have a lower QED value.,CCCOc1ccc(C2(c3ccc(OCC)c(OCC)c3)OC2c2ccc(OC(C)=O)cc2)cc1
AtomNum,"There is a molecule with 11 carbon atoms, and 4 nitrogen atoms.",CC1CCN(CCn2cccn2)CC1[NH3+]
BondNum,"There is a molecule composed of 31 single bonds, 10 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",CCC1=C(C)C(=O)NC1=Cc1[nH]c2c(c1C)C(C)CC(=O)OCCOC(=O)CC(C)c1c(C)c(=CC3=NC(=O)C(C)=C3CC)[nH]c1=C2
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 halo group.",COc1c(Br)cc(C2CC(C[NH3+])C[NH+]2C)c(C)c1OC
AddComponent,Add a benzene ring to the molecule COc1c(C(=O)C(=NNc2ccc(C(=O)[O-])cc2)C(C)=O)c(O)cc2occc12.,COc1c(C(=O)C(=NNc2ccc(C(=O)[O-])c(-c3ccccc3)c2)C(C)=O)c(O)cc2occc12
SubComponent,Please substitute a O=C([O-])CC1SC(N2N=C(c3ccc4ccccc4c3)CC2c2ccc(Cl)cc2)=[NH+]C1=O in the molecule halo with a nitro.,ONc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C2=[NH+]C(=O)C(CC(=O)[O-])S2)cc1
DelComponent,Please remove a amide from the molecule Cc1cccc(C(=O)NC2(C(=O)[O-])CCOCC2)c1F.,Cc1ccc-c1(F)C1(C(=O)[O-])CCOCC1
LogP,Modify the molecule Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc2c(C3CC3)c(N3CC[NH2+]CC3)ccc2c1 to decrease its LogP value.,NN(C(=O)c1ccc2c(C3CC3)c(N3CC[NH2+]CC3)ccc2c1)c1cccs1
MR,Please optimize the molecule CCC(C)c1ccc(S(=O)(=O)NC(C)(C)C(=O)[O-])cc1 to have a lower MR value.,CCC(C)S(=O)(=O)NC(C)(C)C(=O)[O-]
QED,Optimize the molecule O=C(Nc1cc2[nH]ncc2cc1-c1cccc(C[NH+]2CCOCC2)c1)c1csc(-c2cc(C(F)(F)F)[nH]n2)n1 to have a lower QED value.,O=C(Nc1cc2[nH]ncc2cc1-c1cccc(C[NH+]2CCOCC2)c1)c1csc(-c2cc(C(F)F)[nH]n2)n1
AtomNum,"The molecule consists of 19 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 1 bromine atom.",CC(c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)CC1
BondNum,"There is a molecule composed of 37 single bonds, and 17 rotatable bonds.",CC[Si]1(C)O[Si](C)(CCCOC)O[Si](C)(CC[Si](OC)(OC)OC)O[Si](C)(CC[Si](OC)(OC)OC)O1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ketone group, and 1 ester group.",O=C(COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccncc1
AddComponent,Modify the molecule O=S(=O)(c1ccc(N2CCC(CCO)C2)cc1)C(F)F by adding a benzene ring.,O=S(=O)(c1ccc(N2CCC(C(CO)c3ccccc3)C2)cc1)C(F)F
SubComponent,Substitute a halo in the molecule CCC(C)c1ccc(CCNC(=O)CCCl)cc1 with a carboxyl.,CCC(C)c1ccc(CCNC(=O)CCC(=O)[OH])cc1
DelComponent,Modify the molecule CNc1nnc(C2CC(S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)s1 by removing a thiol.,CNc1nnc(C2CCCN2C(=O)OCc2ccc([N+](=O)[O-])cc2)s1
LogP,Please optimize the molecule Cc1cccc2sc(NC(C)CC(F)(F)F)nc12 to have a lower LogP value.,Cc1cccc2sc(NC(C)CC(F)F)nc12
MR,Modify the molecule Nc1nc(NCCCCCC[NH3+])nc2nc[nH]c12 to have a lower MR value.,[NH3+]CCCCCCNc1ncc2[nH]cnc2n1
QED,Modify the molecule Cc1[nH]n(C)c2nc(=O)c(CCC(=O)NC3CCOC(C(C)C)C3)c(C)c1-2 to have a lower QED value.,Cc1[nH]n(C)c2nc(=O)c(CCC(=O)NC3CCOC(C(C)C)C3C(=O)O)c(C)c1-2
AtomNum,"There is a molecule composed of 21 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 sulfur atoms.",Cc1cc(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c(C)s1
BondNum,"The molecule contains 5 single bonds, 2 rotatable bonds, and 10 aromatic bonds.",Oc1cc(OC(F)F)c2nc[nH]c2c1
FunctionalGroup,"The molecule has 3 benzene ring groups, and 1 amine group.",CN1C(c2ccccc2)=[NH+]C(c2ccccc2)(c2ccccc2)c2ccccc21
AddComponent,Modify the molecule CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc3ccccc23)cc1 by adding a carboxyl.,CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C(=O)O)c3ccccc23)cc1
SubComponent,Modify the molecule halo by substituting a COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1 with a hydroxyl.,COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccc(O)cc3)CC2)cc1
DelComponent,Modify the molecule halo by removing a COc1cnn(C(C)C)c1C([NH3+])c1ncccc1Br.,COc1cnn(C(C)C)c1C([NH3+])c1ccccn1
LogP,Modify the molecule CC(=O)NCCC1CCCN(S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C1 to have a lower LogP value.,CC(=O)NCCC1CCC(O)N(S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C1
MR,Optimize the molecule CCC(NC(=O)N1CCCC(C(C)O)C1)C1CCCO1 to have a higher MR value.,CCC(NC(=O)N1CCCC(C(C)C#N)C1)C1CCCO1
QED,Modify the molecule COC(=O)C(c1ccccc1F)[NH+]1CCCC(Cc2[nH+]ccn2C)C1 to decrease its QED value.,COC(=O)C(F)[NH+]1CCCC(Cc2[nH+]ccn2C)C1
AtomNum,"The molecule has 12 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CNC(=O)N1CCC(CN2CC[NH2+]CC2)CC1
BondNum,"The molecule is composed of 10 single bonds, 3 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc3c2OCO3)s1
FunctionalGroup,Please generate a molecule composed of and 4 amide groups.,CC(C)CC(NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(CCCC[NH3+])C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]
AddComponent,Please add a hydroxyl to the molecule Cc1cccc(C)c1OCOc1c(C)cccc1C.,Cc1cccc(C)c1OCOc1c(C)cc(O)cc1C
SubComponent,Please substitute a halo in the molecule Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(N)=O)ccc4Cl)CC3)c2)cc1F with a carboxyl.,Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(N)=O)ccc4C(=O)[OH])CC3)c2)cc1F
DelComponent,Please remove a CC(O)C(NC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(O)cc3)CC2)nc1)C(N)=O from the molecule hydroxyl.,CCC(NC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(O)cc3)CC2)nc1)C(N)=O
LogP,Please optimize the molecule Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C(F)(F)F)c(-n5c6ccccc6c6ccc(-c7c(C)cc(C)cc7C)cc65)cc4C#N)c3c2)c(C)c1 to have a lower LogP value.,Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C(F)(F)NO)c(-n5c6ccccc6c6ccc(-c7c(C)cc(C)cc7C)cc65)cc4C#N)c3c2)c(C)c1
MR,Modify the molecule CCC(C)(CBr)NC(=O)Cc1noc2ccccc12 to decrease its MR value.,CCC(C)(CNO)NC(=O)Cc1noc2ccccc12
QED,Modify the molecule COCCN1Cc2cc(C(=O)[O-])ccc2NC(CC(=O)OC)C1=O to decrease its QED value.,COCCN1C(=O)C(CC(=O)OC)Nc2ccc(C(=O)[O-])cc2C1N
AtomNum,"There is a molecule consisting of 19 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",Cc1cccc(N2CC(c3nnc(NC(=O)Cc4cccs4)s3)CC2=O)c1
BondNum,"The molecule contains 19 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",CSc1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4F)CC3)CC2)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 halo groups.",CN(Cc1ccccc1F)c1[nH]cnc(=O)c1Cl
AddComponent,Modify the molecule O=C(Cc1ccccc1Cl)N1CCCN(C(=O)Oc2ccccc2)CC1 by adding a benzene ring.,O=C(Cc1cccc(-c2ccccc2)c1Cl)N1CCCN(C(=O)Oc2ccccc2)CC1
SubComponent,Modify the molecule COC(=O)c1cc(F)ccc1-n1c(CO)nnc1CCl by substituting a halo with a thiol.,COC(=O)c1cc(S)ccc1-n1c(CO)nnc1CCl
DelComponent,Remove a benzene ring from the molecule CCCC1(CCC)CC(Oc2ccccc2)CC(CCC)(CCC)N1ON1C(CCC)(CCC)CC(Oc2ccccc2)CC1(CCC)CCC.,CCCC1(CCC)CC(O)CC(CCC)(CCC)N1ON1C(CCC)(CCC)CC(Oc2ccccc2)CC1(CCC)CCC
LogP,Please modify the molecule CCN1C(=O)C(C=C2Sc3ccccc3N2C)C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)C1S to increase its LogP value.,CCN1C(=O)C(C=C2Sc3ccccc3N2C)C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)C1F
MR,Please modify the molecule COc1ccc2c3c(c4c(c2c1)OC(c1ccc(O)cc1)(c1ccc(N2CCOCC2)cc1)C=C4)C1(CCC(c2ccccc2)(C2C=CC=CC2)CC1)c1ccccc1-3 to increase its MR value.,COc1ccc2c3c(c4c(c2c1)OC(c1ccc(O)cc1)(c1ccc(N2CCOCC2)cc1)C=C4)C1(CCC(c2ccccc2)(C2C=CC=CC2)CC1)c1ccc(-c2ccccc2)cc1-3
QED,Please modify the molecule COc1ccc(C2(C(=O)N(CCCc3ccsc3)Cc3nc(C(=O)NS(=O)(=O)N(C)C)c(C)s3)CC2)cc1 to decrease its QED value.,COc1ccc(C2(C(=O)N(CCC(O)c3ccsc3)Cc3nc(C(=O)NS(=O)(=O)N(C)C)c(C)s3)CC2)cc1
AtomNum,"The molecule is composed of 12 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",C[NH2+]CC(C)CNS(=O)(=O)CC1CCCCC1
BondNum,"The molecule has 10 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C(=O)c1cc(CC)c(F)cc1OC
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 thioether group, and 1 sulfide group.",CC(C)Sc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1
AddComponent,Add a benzene ring to the molecule O=C(Oc1ccccc1)Oc1ccc(C=C(CCCc2ccccc2O)COc2ccccn2)cc1.,O=C(Oc1ccccc1)Oc1ccc(C=C(CCCc2ccccc2O)COc2ccccn2)cc1-c1ccccc1
SubComponent,Please substitute a halo in the molecule O=C(C(NNc1ccc(Cl)cc1)=[NH+]c1ccc(Cl)cc1)c1ccccc1 with a hydroxyl.,O=C(C(NNc1ccc(O)cc1)=[NH+]c1ccc(Cl)cc1)c1ccccc1
DelComponent,Remove a benzene ring from the molecule CC(C)(C)[Si](C)(C)OC1C(C(=O)[O-])OC(n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)C(NC(=O)OCC2c3ccccc3-c3ccccc32)C1O[Si](C)(C)C(C)(C)C.,CC(C)(C)[Si](C)(C)OC1C(C(=O)[O-])OC(n2cnc3c(N(C=O)C(=O)c4ccccc4)ncnc32)C(NC(=O)OCC2c3ccccc3-c3ccccc32)C1O[Si](C)(C)C(C)(C)C
LogP,Please optimize the molecule Cc1cccc(OCCC(=O)c2cccc(N)c2)c1 to have a higher LogP value.,Cc1cccc(OCCC(=O)c2cccc(N)c2)c1-c1ccccc1
MR,Modify the molecule O=S(=O)(Cc1ccc(F)cc1)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1 to have a higher MR value.,CC(=O)c1ccc(CS(=O)(=O)c2ccc(C(Cc3cc[n+]([O-])cc3)c3ccc(OC(F)F)c(OC(F)F)c3)cn2)cc1
QED,Optimize the molecule C[NH+]=C(NCCCOCC1CCOC1)NCc1ccc(-n2ccnc2)c(F)c1 to have a lower QED value.,C[NH+]=C(NCCCOCC1CCOC1CC=O)NCc1ccc(-n2ccnc2)c(F)c1
AtomNum,"The molecule is composed of 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CSc1cc(C)ccc1NC(=O)NC1CCOC2(CCCCC2)C1
BondNum,"The molecule contains 10 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)Cn1cc(COc2ccc(OC)cc2)nn1
FunctionalGroup,Please generate a molecule with and 2 hydroxyl groups.,OCC(O)CCCCCCCCC1OCCO1
AddComponent,Modify the molecule N#CC(=Cc1ccc(OCc2cccc(F)c2)cc1)c1cccc(F)c1 by adding a amine.,N#CC(=Cc1ccc(OCc2cc(N)cc(F)c2)cc1)c1cccc(F)c1
SubComponent,Modify the molecule hydroxyl by substituting a OC(CC1CCCCC[NH+]1CC1CCCO1)c1ccco1 with a thiol.,SC(CC1CCCCC[NH+]1CC1CCCO1)c1ccco1
DelComponent,Remove a benzene ring from the molecule CCCOc1ccc(Br)cc1C=C1SC(=S)N(c2cccc3ccccc23)C1=O.,CCCOC(Br)=C1SC(=S)N(c2cccc3ccccc23)C1=O
LogP,Please optimize the molecule O=c1oc(CSCc2ccccc2)nc2cc(Cl)ccc12 to have a lower LogP value.,CSCc1nc2cc(Cl)ccc2c(=O)o1
MR,Please modify the molecule Cc1ccc(C(C)C)c(OPOc2cc(C)ccc2C(C)Cc2cccc(COP(Oc3cc(C)ccc3C(C)C)Oc3cc(C)ccc3C(C)C)c2O)c1 to increase its MR value.,Cc1ccc(C(C)C)c(OPOc2cc(C)cc(O)c2C(C)Cc2cccc(COP(Oc3cc(C)ccc3C(C)C)Oc3cc(C)ccc3C(C)C)c2O)c1
QED,Please optimize the molecule COC(=O)CNC(=S)Nc1cccc(O)c1 to have a higher QED value.,COC(=O)CNC(=S)Nc1cccc(C#N)c1
AtomNum,"The molecule is composed of 17 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CCOCCCn1c(NC(=O)C2C[NH2+]CCO2)nc2ccccc21
BondNum,"There is a molecule composed of 16 single bonds, 1 double bond, 15 rotatable bonds, and 6 aromatic bonds.",CC(=O)CCCCCCCCCCCCCCc1ccccn1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, 1 halo group, 1 thioether group, and 1 sulfide group.",CCOc1cc(C=C2SC(Nc3ccc(Cl)cc3C)NC2=O)ccc1OCC(=O)[O-]
AddComponent,Please add a benzene ring to the molecule C=CCC1CCc2cc(COOC)ccc2C1=O.,C=CC(c1ccccc1)C1CCc2cc(COOC)ccc2C1=O
SubComponent,Substitute a halo in the molecule O=C(c1cccc(Cl)c1C(=O)[O-])c1cccc(Cl)c1C(=O)[O-] with a thiol.,O=C(c1cccc(S)c1C(=O)[O-])c1cccc(Cl)c1C(=O)[O-]
DelComponent,Please remove a O=S(=O)(NC1CCCC(Nc2cc(-c3cnc4ncc[nH]c3-4)cc(Cl)n2)C1)c1ccco1 from the molecule amine.,O=S(=O)(c1ccco1)C1CCCC(Nc2cc(-c3cnc4ncc[nH]c3-4)cc(Cl)n2)C1
LogP,Modify the molecule CC[NH2+]C(C)c1ccc(OCCc2cccs2)c(C)c1 to decrease its LogP value.,CC[NH2+]C(C)COCCc1cccs1
MR,Modify the molecule CC[NH2+]C(Cc1cc(F)ccc1C)C1(C)CCCO1 to increase its MR value.,CC[NH2+]C(Cc1cc(S)ccc1C)C1(C)CCCO1
QED,Please optimize the molecule Cc1cc(C)n2nc(C(=O)NCC(CCO)CC(C)C)nc2n1 to have a higher QED value.,CCC(CNC(=O)c1nc2nc(C)cc(C)n2n1)CC(C)C
AtomNum,"The molecule has 19 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CCOc1ccccc1NC(=O)Cn1cccc1-c1nnc(C2CC2)o1
BondNum,"Please generate a molecule consisting 27 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCN1C(=O)C(=Cc2cc3c(cc2OC)N(C)C(C)(C)CC3C)SC1=[NH+]c1ccc(N2CCOCC2)cc1
FunctionalGroup,"Please generate a molecule with 2 amine groups, 1 sulfide group, 1 sulfoxide group, and 1 sulfone group.",CC(CS(C)=O)NS(=O)(=O)c1ccc(C(N)=S)s1
AddComponent,Add a thiol to the molecule CCCCOCCNS(=O)(=O)c1ccc(CO)cc1.,CCCCOCCNS(=O)(=O)c1ccc(CO)cc1S
SubComponent,Modify the molecule halo by substituting a CCC(CC)(C(=O)[O-])[NH+](CCBr)CC(=O)[O-] with a carboxyl.,CCC(CC)(C(=O)[O-])[NH+](CCC(=O)[OH])CC(=O)[O-]
DelComponent,Remove a Cc1cc(Cl)ccc1OCCCC(=O)NC(Cc1ccccc1)C(N)=O from the molecule benzene ring.,Cc1cc(Cl)ccc1OCCCC(=O)NC(C)C(N)=O
LogP,Modify the molecule CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F to have a lower LogP value.,CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)cc1O
MR,Optimize the molecule CN(c1c(CNc2nc(Cl)ncc2Br)ccc(=O)n1C)S(C)(=O)=O to have a lower MR value.,CN(c1c(CNc2ncncc2Br)ccc(=O)n1C)S(C)(=O)=O
QED,Please modify the molecule Fc1ccc(C2[NH2+]CCc3cc(Cl)ccc32)nc1 to decrease its QED value.,Clc1ccc2c(c1)CC[NH2+]C2c1ccccn1
AtomNum,"There is a molecule consisting of 12 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 sulfur atom, and 2 bromine atoms.",CN(C)C(=[NH2+])SCc1nc(=O)c2cc(Br)cc(Br)c2[nH]1
BondNum,"The molecule has 17 single bonds, 6 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",COC(=O)[NH+]=C1Nc2ccc(OS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2N(C(=O)c2ccccc2)S1=O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 nitro group, and 1 sulfide group.",Cc1ccc([N+](=O)[O-])c(OCC(=O)N2N=C(c3ccco3)CC2c2cccs2)c1
AddComponent,Modify the molecule Nc1ccccc1CNc1ncncc1Br by adding a hydroxyl.,Nc1ccc(O)cc1CNc1ncncc1Br
SubComponent,Please substitute a halo in the molecule Clc1ccc(C[NH2+]CCN2CCCCC2)nc1 with a hydroxyl.,Oc1ccc(C[NH2+]CCN2CCCCC2)nc1
DelComponent,Remove a amide from the molecule CN1CCOc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21.,CN1CCOc2cc(C3C4CC5CC(C4)C3C5)ccc21
LogP,Optimize the molecule O=S(=O)(Nc1cscn1)c1cc(Cl)c(NCc2cc(F)ccc2F)cc1F to have a lower LogP value.,ONc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1NCc1cc(F)ccc1F
MR,Modify the molecule CC1CCCCC1NC(=O)N1CCCC(NC(=O)C=Cc2ccc(Cl)cc2)C1 to decrease its MR value.,CC1CCCCC1NC(=O)N1CCCC(NC(=O)C=Cc2ccccc2)C1
QED,Please modify the molecule COc1cc(NCc2nc(C)cs2)nc(C)n1 to decrease its QED value.,COc1cc(Cc2nc(C)cs2)nc(C)n1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)NNS(=O)(=O)c1cccc(C)c1
BondNum,"Please generate a molecule consisting 13 single bonds, 11 rotatable bonds, and 88 aromatic bonds.",Cc1cc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3-c3cccc4ccccc34)c(C)c2)ccc1N(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1ccccc1-c1cccc2ccccc12
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ester group, and 2 halo groups.",CCc1ccc(-c2cc(F)c(C(=O)OCC[NH+]3C=CN(C)C3)c(F)c2)cc1
AddComponent,Add a benzene ring to the molecule CSCCNC(NCCc1ccco1)=[NH+]Cc1ccccc1-n1nc(C)cc1C.,CSCCNC(NCCc1ccco1)=[NH+]Cc1c(-c2ccccc2)cccc1-n1nc(C)cc1C
SubComponent,Please substitute a Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCC([NH2+]CCN1CCCC1)C2 in the molecule halo with a aldehyde.,CC(=O)c1ccc(CNC(=O)c2nn(C)c3c2CC([NH2+]CCN2CCCC2)CC3)cc1
DelComponent,Remove a hydroxyl from the molecule C=C1C(O)C2OC3(CCC(C=CC(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)OCC)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCCCO2)CCC1C.,C=C1C(O)C2OC3(CCC(C=CC(C)C4CC(C)=CC5(CCCC(CC(C)(O)C(=O)OCC)O5)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCCCO2)CCC1C
LogP,Please optimize the molecule Cc1cc(CNS(=O)(=O)c2cc(C)c(CO)s2)on1 to have a higher LogP value.,Cc1cc(CS(=O)(=O)c2cc(C)c(CO)s2)on1
MR,Please optimize the molecule C[NH2+]C(c1ccc(F)c(Cl)c1)c1c(C)cc(C)cc1C to have a higher MR value.,C[NH2+]C(c1cccc(Cl)c1)c1c(C)cc(C)cc1C
QED,Optimize the molecule COc1ccc(CON(C=Cc2ccccc2)C(C)=O)c(OC)c1 to have a lower QED value.,C=CN(OCc1ccc(OC)cc1OC)C(C)=O
AtomNum,"The molecule has 20 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",COc1ccc(Nc2nccc(C=Cc3ccc(C)cc3)n2)cc1
BondNum,"There is a molecule consisting of 11 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",CCNc1ncc(F)c(N2CCc3sccc3C2C)n1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 halo group, 2 thioether groups, and 1 sulfide group.",CC1(C)CCN(C(=O)c2ccc(I)c(O)c2)CCS1
AddComponent,Modify the molecule CC(C)C1C[NH2+]C(C)(C)CN1C(=O)Cc1ccc(F)cc1 by adding a hydroxyl.,CC(C)C1C[NH2+]C(C)(C)CN1C(=O)Cc1ccc(F)c(O)c1
SubComponent,Modify the molecule halo by substituting a CC(C)c1nc(CCCOC(N)=O)n(Cc2cnc3ccccc3c2)c1Sc1cc(Cl)cc(Cl)c1 with a thiol.,CC(C)c1nc(CCCOC(N)=O)n(Cc2cnc3ccccc3c2)c1Sc1cc(S)cc(Cl)c1
DelComponent,Remove a amine from the molecule COc1ccc2c(c1)CCN(c1cc(C(C)C)nc(NCC[NH+](C)C)n1)C2.,COc1ccc2c(c1)CCN(c1cc(C(C)C)nc(CC[NH+](C)C)n1)C2
LogP,Please optimize the molecule CCC[NH2+]C(c1ccn(C)n1)c1ccc(Cl)cc1C to have a lower LogP value.,CCC[NH2+]C(c1ccn(C)n1)c1ccc(C(=O)[OH])cc1C
MR,Modify the molecule CCCC(C[NH3+])Nc1ccc(Cl)cc1[N+](=O)[O-] to have a higher MR value.,CCCC(C[NH3+])Nc1cc(-c2ccccc2)c(Cl)cc1[N+](=O)[O-]
QED,Please modify the molecule Cc1cccc(-c2nc(Br)nn2C)c1 to decrease its QED value.,Cc1cccc(-c2nc(C#N)nn2C)c1
AtomNum,"The molecule is composed of 17 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",COC(=O)CCC1=CCN(CCCc2ccc(Cl)cc2)C1=O
BondNum,"Please generate a molecule composed of 13 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCC1CCC(c2nc(C[NH2+]C(C)C)cs2)C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 nitrile group, and 1 sulfide group.",Cc1c(-c2cc(C(=O)[O-])c3c(OCc4cccc(C#N)c4)ccc(C)c3n2)sc2ccccc12
AddComponent,Add a benzene ring to the molecule Cc1cccc(OC(C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c1C.,Cc1cccc(OC(C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c1Cc1ccccc1
SubComponent,Modify the molecule nitrile by substituting a CC1CCC2(CC1)NC(=O)N(c1cccc(C#N)c1)C2=O with a hydroxyl.,CC1CCC2(CC1)NC(=O)N(c1cccc(O)c1)C2=O
DelComponent,Remove a halo from the molecule COC(=O)c1ccc2cc(C(=C(F)F)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1.,COC(=O)c1ccc2cc(C(=CF)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1
LogP,Modify the molecule CN(CCCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1 to have a lower LogP value.,CN(CCCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1O
MR,Please modify the molecule CC(C)[NH+]1CCC2NN=CC2C1 to decrease its MR value.,CC(C)[NH+]1CCC2N=CC2C1
QED,Optimize the molecule CCCC(C)C(=O)Nc1cccc(C2SCCS2)c1 to have a lower QED value.,CCCC(C)C(=O)NC1SCCS1
AtomNum,"Please generate a molecule composed of 23 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",COc1ccccc1OCCC(=O)NCCN1C(=O)SC(=Cc2ccc(SC)cc2)C1=O
BondNum,"The molecule is composed of 16 single bonds, 2 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",CC(C)c1ccc(NC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",Nc1cccc2cc(C(=O)Nc3cccc(I)c3)[nH]c12
AddComponent,Please add a amine to the molecule CCCCCCCCCCCCC[NH2+]CC.,CCCCCC(N)CCCCCCC[NH2+]CC
SubComponent,Modify the molecule halo by substituting a COc1ccc(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC with a nitro.,COc1ccc(N(CC(=O)NCCOc2ccc(C)c(NO)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC
DelComponent,Please remove a halo from the molecule CN(C)C(=O)C(Cl)c1ccc(Cl)c2cccnc12.,CN(C)C(=O)C(Cl)c1cccc2cccnc12
LogP,Optimize the molecule CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)c1ccco1)C(=O)SCC#CCOC(=O)N1CC[NH+](C)CC1 to have a higher LogP value.,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(F)CC2(C)C1(OC(=O)c1ccco1)C(=O)SCC#CCOC(=O)N1CC[NH+](C)CC1
MR,Optimize the molecule COc1ccc(CNC(=S)Nc2cccc(Br)c2)cc1OC to have a lower MR value.,COc1ccc(CNC(=S)Nc2cccc(C(=O)[OH])c2)cc1OC
QED,Please modify the molecule C[NH+]1CCOCC1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 to decrease its QED value.,C[NH+]1CCOCC1C(=O)NCCNS(=O)(=O)c1ccccc1
AtomNum,"The molecule has 10 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 bromine atom.",CC(C)(CNc1ccc(Br)cn1)C(N)=O
BondNum,"The molecule is composed of 18 single bonds, 2 double bonds, and 2 rotatable bonds.",CC1CCCN(C(=O)C2(C(N)=[NH+]O)CCCC2)C1C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 amide groups, 1 halo group, and 1 nitrile group.",N#Cc1ccc(N2C(=O)c3ccncc3C2=O)c(Br)c1
AddComponent,Please add a hydroxyl to the molecule CC([NH3+])Cc1cc(F)ccc1Sc1ncco1.,CC([NH3+])Cc1cc(F)cc(O)c1Sc1ncco1
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc(C(=O)OCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(O)c1 with a nitro.,COc1ccc(C(=O)OCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(NO)c1
DelComponent,Remove a CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)[O-])CC(O)C(O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCC from the molecule hydroxyl.,CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2CC(OC3(C(=O)[O-])CC(O)C(O)C(C(O)C(O)CO)O3)C(O)C(CO)O2)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCC
LogP,Please modify the molecule Cc1csc(SCC(=O)c2ccc(C)c(C)c2)n1 to decrease its LogP value.,CCC(=O)CSc1nc(C)cs1
MR,Please optimize the molecule Cc1noc(CN2CC(Cc3ccccc3)[NH2+]CC2C)n1 to have a lower MR value.,Cc1noc(CN2CC(C)[NH2+]CC2C)n1
QED,Modify the molecule CCc1ccc(C(C)[NH2+]CCCCCCC(C)C)cc1 to decrease its QED value.,CCC(C)[NH2+]CCCCCCC(C)C
AtomNum,"There is a molecule composed of 9 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",Cc1noc(Cn2cccc2C#N)n1
BondNum,"The molecule has 7 single bonds, 4 rotatable bonds, and 16 aromatic bonds.",C[NH2+]C(Cc1cc(Cl)ccc1Cl)c1nc2ccccc2s1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 sulfone group.",CC1CCC(C[NH2+]C(C)c2ccc(S(C)(=O)=O)cc2)CC1
AddComponent,Add a aldehyde to the molecule Cc1c(NC(C)CC2CCC2)cccc1[N+](=O)[O-].,Cc1c(NC(C)CC2CCC2CC=O)cccc1[N+](=O)[O-]
SubComponent,Substitute a halo in the molecule C[NH2+]Cc1cccc(OCCOc2ccc(F)cc2C)c1 with a nitro.,C[NH2+]Cc1cccc(OCCOc2ccc(NO)cc2C)c1
DelComponent,Modify the molecule amide by removing a CCOC(=O)[N-]C(=O)C1CCSC1NC(=O)C1SC(C2CC[NH2+]CC2)[NH2+]C1C.,CCOC(=O)[N-]C(=O)C1CCSC1C1(C)[NH2+]C(C2CC[NH2+]CC2)S1
LogP,Optimize the molecule CCN(Cc1cccs1)C(=O)c1cccnc1Nc1ccccc1F to have a lower LogP value.,CCN(Cc1cccs1)C(=O)c1cccnc1Nc1ccccc1NO
MR,Modify the molecule CCC(C)c1ccccc1OP(=S)(Oc1ccccc1C(C)CC)SC(C)c1ccccc1 to increase its MR value.,CCC(C)c1ccccc1OP(=S)(Oc1c(O)cccc1C(C)CC)SC(C)c1ccccc1
QED,Modify the molecule COC(=O)C(NC(=O)C(C)C1C[NH2+]C1)c1ccc(Br)cc1 to have a lower QED value.,COC(=O)C(NC(=O)C(C)C1C[NH2+]C1)c1ccc(C#N)cc1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 4 fluorine atoms.",OC(CNc1c(F)c(F)cc(F)c1F)Cn1cccn1
BondNum,"Please generate a molecule composed of 22 single bonds, 2 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",CCC(c1ccccc1)N(C)C(=O)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 3 halo groups.",CCC[NH2+]C1CCC(O)(c2cnccc2C(F)(F)F)CC1
AddComponent,Modify the molecule OC(CNc1ncnc2ccccc12)c1ccccc1F by adding a hydroxyl.,Oc1ccc2ncnc(NCC(O)c3ccccc3F)c2c1
SubComponent,Modify the molecule halo by substituting a CC1CCCC(Nc2ccc(Br)cc2)(C(N)=O)C1 with a nitro.,CC1CCCC(Nc2ccc(NO)cc2)(C(N)=O)C1
DelComponent,Please remove a amide from the molecule Cc1cccc(OCC(=O)Nc2c(C)nc(Oc3ccccc3F)nc2C)c1.,Cc1cccc(Oc2c(C)nc(Oc3ccccc3F)nc2C)c1
LogP,Optimize the molecule COc1ccc(N2CCN(C(=O)C(C)n3cc(C)cn3)CC2(C)C)cc1 to have a lower LogP value.,COc1ccc(N2CCN(C(=O)C(C)n3cc(C)cn3)CC2(C)CC(=O)O)cc1
MR,Optimize the molecule CCC(C)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CC)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C to have a higher MR value.,CC(=O)C(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCC(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC
QED,Modify the molecule Cc1cc(F)cc(C)c1S(=O)(=O)NC(C)C(=O)[O-] to decrease its QED value.,Cc1cc(NO)cc(C)c1S(=O)(=O)NC(C)C(=O)[O-]
AtomNum,"There is a molecule composed of 11 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",[NH3+]C1(c2c(Cl)ccc(O)c2O)CCCC1
BondNum,"The molecule is composed of 9 single bonds, 2 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(F)ccc3F)n2)cc1C
FunctionalGroup,"There is a molecule consisting of 1 amine group, 1 halo group, and 2 sulfide groups.",O=C([O-])c1csc(NCCc2ccc(Cl)s2)n1
AddComponent,Please add a nitrile to the molecule Cc1c(C(=O)N(C)CC(O)COCc2ccccc2)nnn1C1CC[NH2+]CC1.,Cc1c(C(=O)N(C)CC(O)COCc2ccccc2)nnn1C1CC[NH2+]C(C#N)C1
SubComponent,Substitute a Cc1noc(-c2ccc(-c3ccc(Oc4ccccc4C(=O)[O-])c(F)c3)cc2)c1NC(=O)OC(C)c1ccccc1 in the molecule halo with a thiol.,Cc1noc(-c2ccc(-c3ccc(Oc4ccccc4C(=O)[O-])c(S)c3)cc2)c1NC(=O)OC(C)c1ccccc1
DelComponent,Please remove a benzene ring from the molecule O=C(NCC[NH+]1CCCC1)Nc1ccc(-c2c[nH+]c3c(NC4CC4)nccn23)cc1.,O=C(NCC[NH+]1CCCC1)Nc1c[nH+]c2c(NC3CC3)nccn12
LogP,Modify the molecule O=C([O-])Cc1cn(Cc2ccccc2Cl)cn1 to decrease its LogP value.,O=C([O-])Cc1cn(Cc2ccccc2)cn1
MR,Please optimize the molecule CC(=O)NC1C(O)CC(OCCCSCCNC(=O)c2ccc(C)c(OCCOCCOCCOCCOCCOCCNC(=O)CCCCC(=O)ON3C(=O)CCC3=O)c2)(C(=O)[O-])OC1C(O)C(O)CNC(=O)c1ccc(-c2ccccc2)cc1 to have a higher MR value.,CC(=O)NC1C(NO)CC(OCCCSCCNC(=O)c2ccc(C)c(OCCOCCOCCOCCOCCOCCNC(=O)CCCCC(=O)ON3C(=O)CCC3=O)c2)(C(=O)[O-])OC1C(O)C(O)CNC(=O)c1ccc(-c2ccccc2)cc1
QED,Optimize the molecule N#CCCCC[NH+]1CCc2ccccc2CC1 to have a higher QED value.,CC(=O)CCCC[NH+]1CCc2ccccc2CC1
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 3 fluorine atoms, and 2 chlorine atoms.",O=C(COc1ccc(Cl)cc1Cl)NC1CCN(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 15 aromatic bonds.",Cc1nn(C)c(C)c1CCC(=O)N1CCc2nc3c(C)csc3c(=O)n2CC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",CCc1cc(NC(=O)c2cccnc2)ccc1C(=O)[O-]
AddComponent,Please add a aldehyde to the molecule Cc1cccc(NC(=O)CCSc2c(O)on[n+]2-c2ccccc2)c1C.,Cc1cc(CC=O)cc(NC(=O)CCSc2c(O)on[n+]2-c2ccccc2)c1C
SubComponent,Substitute a hydroxyl in the molecule COc1ccc(C(O)c2cccc(Cl)c2)cc1 with a nitrile.,COc1ccc(C(C#N)c2cccc(Cl)c2)cc1
DelComponent,Please remove a amide from the molecule N#Cc1ccccc1COc1cccc(C[NH2+]CC(=O)NC2CCCCC2)c1.,N#Cc1ccccc1COc1cccc(C[NH2+]C2CCCCC2)c1
LogP,Please optimize the molecule CC(=O)Nc1ccc(CN2C(=O)C3(CCN(c4ncncc4Oc4ccc(F)cc4C(=O)N(C)C(C)C)C3)[NH+]=C2N)cc1 to have a higher LogP value.,CC(=O)Nc1ccc(CN2C(=O)C3(CCN(c4nc(-c5ccccc5)ncc4Oc4ccc(F)cc4C(=O)N(C)C(C)C)C3)[NH+]=C2N)cc1
MR,Please optimize the molecule [NH3+]CCC(=O)NCc1ccc([O-])c(C(F)(F)F)c1 to have a lower MR value.,[NH3+]CCC(=O)NCc1ccc([O-])c(C(F)F)c1
QED,Please optimize the molecule CC1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C#N)c2)CCO1 to have a lower QED value.,CC1CN(S(=O)(=O)c2cc(O)cc(C(=O)Nc3ccccc3C#N)c2)CCO1
AtomNum,"There is a molecule composed of 23 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",O=C1Nc2ccccc2-n2c(-c3cnc4ccccc4c3)nc3cccc1c32
BondNum,"The molecule has 8 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(C)c(Nc2ccc(C(=O)NCc3ccccn3)cn2)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 halo group.",CC(C)Oc1ccc(Br)cc1NC(=O)C1CC1C(=O)[O-]
AddComponent,Modify the molecule COc1ccc(NC(=S)N(Cc2cccc(Br)c2)Cc2ccco2)cc1 by adding a benzene ring.,COc1ccc(NC(=S)N(Cc2cccc(Br)c2)Cc2ccco2)cc1-c1ccccc1
SubComponent,Substitute a halo in the molecule CCOC1(C(Cc2cncc(Br)c2)[NH2+]C)CCCC(C)C1 with a nitro.,CCOC1(C(Cc2cncc(NO)c2)[NH2+]C)CCCC(C)C1
DelComponent,Modify the molecule amine by removing a CCn1cc(C[NH+](C)CCC(N)=[NH2+])cn1.,CCn1cc(C[NH+](C)CCCN)cn1
LogP,Please modify the molecule Cc1ccc2nc(C(C)(C)C)c(C=O)n2c1 to decrease its LogP value.,Cc1ccc2nc(C(C)(C)CO)c(C=O)n2c1
MR,Modify the molecule O=C(NCc1ccccc1)N(Cl)OCc1ccccc1 to have a higher MR value.,O=C(NCc1ccccc1)N(Cl)OCc1ccccc1O
QED,Optimize the molecule CN(C)c1nc(N)nc(Cn2cc(C[NH3+])nn2)n1 to have a higher QED value.,CN(C)c1ncnc(Cn2cc(C[NH3+])nn2)n1
AtomNum,"The molecule consists of 29 carbon atoms, 4 nitrogen atoms, 1 sulfur atom, and 4 chlorine atoms.",CC(C)c1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)s2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
BondNum,"Please generate a molecule consisting 14 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1nc2c(c(=O)n1C)CN(C(=O)c1cccc(CCC(C)(C)O)c1)C2
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 2 halo groups.",O=C(c1cn2cc(Cl)ccc2[nH+]1)N1CCN(c2ccc(Cl)cc2)CC1
AddComponent,Modify the molecule C[NH2+]CCN(O)C(=O)NC1CC([NH3+])C(OC2OC(C[NH3+])C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C([NH3+])C1O by adding a amine.,C[NH2+]CCN(O)C(=O)NC1CC([NH3+])C(OC2OC(N)(C[NH3+])C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C([NH3+])C1O
SubComponent,Modify the molecule halo by substituting a CCCCCCCCC(c1ccc(Cl)cc1)C(F)(F)F with a nitro.,CCCCCCCCC(c1ccc(NO)cc1)C(F)(F)F
DelComponent,Modify the molecule CC1CCC(C(O)c2ccnn2C)CC1C by removing a hydroxyl.,CC1CCC(Cc2ccnn2C)CC1C
LogP,Modify the molecule CC(=O)c1sc(N2CC(O)C(O)C2)cc1N to increase its LogP value.,CC(=O)c1sc(N2CCC(O)C2)cc1N
MR,Optimize the molecule CC1CC([NH2+]CC2(C)OCCO2)CN1C to have a higher MR value.,CC1CC([NH2+]CC2(C)OCCO2)C(O)N1C
QED,Please optimize the molecule O=C(Nc1ccc(F)c(Br)c1)NC1(C(=O)[O-])CCC1 to have a lower QED value.,O=C(NC1(C(=O)[O-])CCC1)N(F)Br
AtomNum,"The molecule is composed of 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CC(C)C(CC[NH3+])CCC(=O)NCC1CCCCS1
BondNum,"There is a molecule with 14 single bonds, 5 rotatable bonds, and 10 aromatic bonds.",C[NH+](C)CCCn1nc(C2CC[NH+](C)CC2)c2ccccc21
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 halo group.",CC[NH2+]C(Cc1ccc(C)cc1Cl)c1nccn1C
AddComponent,Add a hydroxyl to the molecule CC(C)c1ccc(OCC(=O)N2CCC(c3ccsc3)CC2)cc1.,CC(C)c1ccc(OCC(=O)N2CCC(c3ccsc3)CC2O)cc1
SubComponent,Substitute a halo in the molecule Cc1ccc(CSc2ccc(Cl)c(C(=O)[O-])c2)c(Cl)c1 with a thiol.,Cc1ccc(CSc2ccc(S)c(C(=O)[O-])c2)c(Cl)c1
DelComponent,Remove a hydroxyl from the molecule CCC1(C(=O)Nc2nc(C)ccc2O)CC[NH2+]CC1.,CCC1(C(=O)Nc2cccc(C)n2)CC[NH2+]CC1
LogP,Modify the molecule Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Sc3cccc4cnccc34)cc2N)cc1 to increase its LogP value.,Cc1ccc(S(=O)(=O)c2cc([N+](=O)[O-])c(Sc3cccc4cnccc34)cc2N)cc1
MR,Please modify the molecule CCC(C[NH2+]C(C)(C)C)N1CC=C(C(C)(C)C)CC1 to increase its MR value.,CC(C)(C)[NH2+]CC(CCC(=O)O)N1CC=C(C(C)(C)C)CC1
QED,Modify the molecule COc1ccc(Nc2cc(-c3ccncc3)nc(NCC(=O)[O-])n2)c([N+](=O)[O-])c1 to decrease its QED value.,COc1ccc(Nc2cc(-c3ccncc3O)nc(NCC(=O)[O-])n2)c([N+](=O)[O-])c1
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC(OCn1cc(NCCc2ccccc2)c(=O)[nH]c1=O)c1ccccc1
BondNum,"The molecule contains 16 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",COc1cc(-c2c(C(OC(C)(C)C)C(=O)[O-])n(C)c(=O)c3ccccc23)cc(OC)c1OC
FunctionalGroup,"The molecule has 1 ketone group, and 1 ester group.",CC(=O)CC(=O)OCC[NH+](C)C(C)C
AddComponent,Please add a carboxyl to the molecule CC([NH3+])C1CC[NH+](Cc2ccccc2C(N)=O)C1.,CC([NH3+])C1CC[NH+](Cc2ccccc2C(N)=O)C1C(=O)O
SubComponent,Please substitute a halo in the molecule Cc1cccnc1COc1cc(Br)ccc1Cl with a nitro.,Cc1cccnc1COc1cc(NO)ccc1Cl
DelComponent,Modify the molecule CN(CC1CCOCC1)C(C)(C[NH3+])Cc1ccc(F)cc1 by removing a halo.,CN(CC1CCOCC1)C(C)(C[NH3+])Cc1ccccc1
LogP,Please modify the molecule COc1ccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1S(=O)(=O)N1CCCCC1 to increase its LogP value.,COc1ccc(N(c2ccc(I)cc2)S(C)(=O)=O)cc1S(=O)(=O)N1CCCCC1
MR,Optimize the molecule COc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccc(C)cc4F)c3C)CC2)cc1NC(=O)c1ccc(F)cc1 to have a higher MR value.,COc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccc(C)cc4F)c3C)CC2)cc1NC(=O)c1ccccc1
QED,Modify the molecule Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)Nc1cccc(Cl)c1C to have a lower QED value.,Cc1nc(-c2cccs2)sc1C(=O)Oc1cccc(Cl)c1C
AtomNum,"The molecule is composed of 22 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CCCC(=O)Nc1ccc(C(=O)C(C)OC(=O)c2ccc(C)c(OC)c2)cc1
BondNum,"Please generate a molecule composed of 18 single bonds, 2 double bonds, 1 triple bond, 1 rotatable bond, and 12 aromatic bonds.",CN1C(=O)C2([NH+]=C1N)c1cc(-c3cncc(C#N)c3)ccc1OC1CCOCC12
FunctionalGroup,"Please generate a molecule composed of 1 halo group, and 2 sulfide groups.",Cc1nc(CN(C)CC[NH2+]Cc2ccc(Cl)s2)cs1
AddComponent,Please add a thiol to the molecule O=C(CCc1cc(Cl)no1)N1CCCC1c1nc2ccc(F)cc2[nH]1.,O=C(CCc1cc(Cl)no1)N1CCCC1c1nc2ccc(F)c(S)c2[nH]1
SubComponent,Modify the molecule halo by substituting a Clc1ccc2[nH]c3c(c2c1)CCN(Cl)C3c1ccc(OC2CCOCC2)cc1 with a aldehyde.,CC(=O)c1ccc2[nH]c3c(c2c1)CCN(Cl)C3c1ccc(OC2CCOCC2)cc1
DelComponent,Modify the molecule benzene ring by removing a CC(=O)NCCN=CC1C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21.,CC(=O)NCCN=CC1C(=O)N(C)C(=O)c2ccccc21
LogP,Modify the molecule Cc1ccc(Cl)cc1-c1ccc(C=C2SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1 to have a lower LogP value.,Cc1ccc(Cl)cc1-c1ccc(C=C2SC(=O)N(CBr)C2=O)o1
MR,Please modify the molecule CNC(=O)Cc1ccccc1NC(=O)NCc1ccccc1C to increase its MR value.,CNC(=O)Cc1ccc(O)cc1NC(=O)NCc1ccccc1C
QED,Modify the molecule CCN1CCCC1C[NH+](C)CCCC#N to have a lower QED value.,CCN1CCCC1C[NH+](C)CCCC(=O)[OH]
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCn1c(Sc2ncccc2C=O)n[nH]c1=O
BondNum,"The molecule has 14 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",Cc1nc(COc2ccccc2C=CC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cs1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",CCOc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1
AddComponent,Please add a carboxyl to the molecule O=NNC(=O)CCCCCNC(=O)Nc1cccc(Cl)c1.,O=NNC(=O)CCCCCNC(=O)Nc1cc(Cl)ccc1C(=O)O
SubComponent,Substitute a halo in the molecule COc1c(CCO)cnn1Cc1ccc(F)cc1 with a hydroxyl.,COc1c(CCO)cnn1Cc1ccc(O)cc1
DelComponent,Please remove a amide from the molecule COc1ccc(C(NC(=O)COc2ccccc2)c2nccn2C)cc1.,COc1ccc(C(Oc2ccccc2)c2nccn2C)cc1
LogP,Please modify the molecule Cc1cc(C)c(N(c2ccccc2)c2ccccc2C(C)(C)O)c(C)c1 to decrease its LogP value.,CCCN(c1ccccc1)c1ccccc1C(C)(C)O
MR,Please optimize the molecule CC=C1C=C(C(=O)NS(=O)(=O)CCc2ccccc2)N=C1c1c(F)cccc1F to have a higher MR value.,CC(N)=C1C=C(C(=O)NS(=O)(=O)CCc2ccccc2)N=C1c1c(F)cccc1F
QED,Modify the molecule CC(SCc1ccccc1F)C(=O)[O-] to decrease its QED value.,CC(SCc1ccccc1)C(=O)[O-]
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cn1ccc(C(=O)N2CCCNc3ccccc32)cc1=O
BondNum,"The molecule contains 8 single bonds, 6 rotatable bonds, and 26 aromatic bonds.",OCCCc1cnc(-c2oc3cnccc3c2Nc2ccc(Cl)c3[nH]ncc23)nc1
FunctionalGroup,"The molecule is composed of 1 amide group, 1 amine group, and 3 halo groups.",CCCC(OCC(F)(F)F)C(=O)NN
AddComponent,Modify the molecule Cc1ccsc1C(=O)c1c(Br)cnn1C by adding a amine.,Cc1c(N)csc1C(=O)c1c(Br)cnn1C
SubComponent,Please substitute a halo in the molecule Cc1noc(C)c1CCNc1ccc(Br)cn1 with a thiol.,Cc1noc(C)c1CCNc1ccc(S)cn1
DelComponent,Modify the molecule CCOc1ccc(C(=O)NC(C(=O)NCCCc2nc3c(s2)CCCC3)C(C)C)cc1 by removing a benzene ring.,CCOC(=O)NC(C(=O)NCCCc1nc2c(s1)CCCC2)C(C)C
LogP,Please modify the molecule CC1(C)C(Cl)(Br)C1(C)c1ccccc1 to decrease its LogP value.,CC1(C)C(Br)(NO)C1(C)c1ccccc1
MR,Please modify the molecule COC(=O)C1(O)CCC(Sc2ccccc2)C2(C)CCC(C(C)C)C(=O)C12 to increase its MR value.,COC(=O)C1(NO)CCC(Sc2ccccc2)C2(C)CCC(C(C)C)C(=O)C12
QED,Optimize the molecule CC(C)(C)OC(=O)NC(C(=O)[O-])c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 to have a higher QED value.,COc1cc(OCc2ccccc2)cc(C(NC(=O)OC(C)(C)C)C(=O)[O-])c1
AtomNum,"The molecule has 27 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CN(C)C(=O)CCc1cccc(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)c1
BondNum,"There is a molecule with 10 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",Cc1cnc(-c2nc(=O)c(I)c(C3CCCC3)[nH]2)c(C)c1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 halo group, and 1 sulfone group.",CN(C)S(=O)(=O)c1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1
AddComponent,Modify the molecule c1ccc2oc(N3CC[N+]4(CCCC4)CC3)nc2c1 by adding a aldehyde.,O=CCC1CC[N+]2(CCN(c3nc4ccccc4o3)CC2)C1
SubComponent,Please substitute a hydroxyl in the molecule CC(C)(C)OC(=O)N1CCC(c2nc(CO)co2)CC1 with a aldehyde.,CC(=O)Cc1coc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
DelComponent,Modify the molecule amide by removing a CC(C)C(=O)NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1.,CCC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1
LogP,Please modify the molecule O=C(Cl)CCc1ccc(CCC(=O)Cl)cc1 to decrease its LogP value.,O=CCCc1ccc(CCC(=O)Cl)cc1
MR,Please modify the molecule O=C(CCl)Nc1ccc(-c2csc(N3CCCCC3)n2)cc1 to decrease its MR value.,CC(=O)Nc1ccc(-c2csc(N3CCCCC3)n2)cc1
QED,Please modify the molecule Cc1csc2c(NC(C)c3ccco3)ncnc12 to decrease its QED value.,Cc1csc2c(C(C)c3ccco3)ncnc12
AtomNum,"The molecule consists of 34 carbon atoms, and 16 oxygen atoms.",COc1cc2c(OC3OC(CO)C(OC4OCC(O)C(OC)C4OC)C(O)C3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3
BondNum,"There is a molecule composed of 21 single bonds, 4 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",O=C(NN=Cc1c([O-])n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)[nH]c1=O)c1ccc(Cl)cc1Cl
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",CC1CC(C)CN(C(=O)c2ccc(N)c(Cl)c2)C1
AddComponent,Please add a benzene ring to the molecule CC(C)(C)[NH2+]CC1(Cc2cccs2)CC2CC2C1.,CC(C)(Cc1ccccc1)[NH2+]CC1(Cc2cccs2)CC2CC2C1
SubComponent,Please substitute a COc1cccc(N([NH3+])C(=O)N(C)[NH3+])c1COc1ccc(C)cc1C(F)(F)F in the molecule halo with a hydroxyl.,COc1cccc(N([NH3+])C(=O)N(C)[NH3+])c1COc1ccc(C)cc1C(O)(F)F
DelComponent,Please remove a CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 from the molecule benzene ring.,CN(CC(=O)N1CCOCC1)S(=O)(=O)C#N
LogP,Please modify the molecule CN1CC[NH+](C2CCN(C(=O)C(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)Cc3cc(C(F)(F)F)c(N)c(C(F)(F)F)c3)CC2)CC1 to decrease its LogP value.,CN1CC[NH+](C2CCN(C(=O)C(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)Cc3cc(C(F)(F)F)c(N)c(C(F)(F)C#N)c3)CC2)CC1
MR,Optimize the molecule CC(=O)C1C(=O)C(C(C)C)C2(C)C(O)C3(C)C(C(=O)c4c(ccc(-c5cccc(CC6CCC(C)CC6)c5)c4[O-])C3C)C(=O)C2(O)C1=O to have a higher MR value.,CC(=O)C1C(=O)C(C(C)C)C2(C)C(NO)C3(C)C(C(=O)c4c(ccc(-c5cccc(CC6CCC(C)CC6)c5)c4[O-])C3C)C(=O)C2(O)C1=O
QED,Optimize the molecule Cc1ccc(C=Nc2nc3cc(Br)c(Br)cc3n2C)c(O)c1 to have a higher QED value.,Cc1ccc(C=Nc2nc3cc(Br)ccc3n2C)c(O)c1
AtomNum,"The molecule has 19 carbon atoms, 6 oxygen atoms, and 2 nitrogen atoms.",CC(OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1
BondNum,"Please generate a molecule composed of 64 single bonds, 4 double bonds, and 32 rotatable bonds.",O=C(CCCl)OCC(F)(F)C(F)(F)OC(F)(F)C(C(F)(F)OC(F)(F)C(F)(F)COC(=O)CCCl)(C(F)(F)OC(F)(F)C(F)(F)COC(=O)CCCl)C(F)(F)OC(F)(F)C(F)(F)COC(=O)CCCl
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, 1 thioether group, and 2 sulfide groups.",COCCn1c(SCc2ccccc2)nnc1-c1sc2ncccc2c1N
AddComponent,Add a benzene ring to the molecule COc1ccc(C(=O)COC(=O)C2CCCCC2C(=O)OCC(=O)c2ccc(OC)cc2)cc1.,COc1ccc(C(=O)COC(=O)C2CCCCC2C(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)cc1
SubComponent,Substitute a halo in the molecule CC[NH2+]Cc1cc(Br)cnc1N(CCCOC)CCOC with a nitro.,CC[NH2+]Cc1cc(NO)cnc1N(CCCOC)CCOC
DelComponent,Modify the molecule amide by removing a CCC(=O)C[NH+]1CCC(C)(C(=O)NC)C1.,CCC(=O)C[NH+]1CCC1CC
LogP,Please optimize the molecule C=CC[NH2+]C(C)(C(=O)OC)c1cccc(C(F)(F)F)c1 to have a lower LogP value.,C=CC[NH2+]C(C)(C(=O)OC)c1cccc(C(F)F)c1
MR,Please modify the molecule O=C(NC1CCN(C(=O)C=Cc2ccc([N+](=O)[O-])s2)CC1)c1cccs1 to increase its MR value.,O=C(NC1CCN(C(=O)C=Cc2cc(-c3ccccc3)c([N+](=O)[O-])s2)CC1)c1cccs1
QED,Please optimize the molecule NC(C[NH2+]C1CCCCCCC1)=[NH+]O to have a higher QED value.,NC(O)C[NH2+]C1CCCCCCC1
AtomNum,"The molecule consists of 8 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",Cn1c(C2CC2)nc(C(=O)[O-])c1O
BondNum,"The molecule contains 5 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",Nc1cnc(Nc2cc(F)cc(Cl)c2)s1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 hydroxyl group, 1 carboxyl group, 1 thioether group, and 1 sulfide group.",CC(C)(C)c1ccc(-c2[nH]nc(SCC(=O)O)[n+]2-c2ccccc2)cc1
AddComponent,Please add a benzene ring to the molecule Nc1ccccc1NC(=O)c1ccc(N2CCC(N(C(=O)[O-])C3CCOCC3)C2)cc1.,Nc1ccccc1NC(=O)c1ccc(N2CCC(N(C(=O)[O-])C3CCOC(c4ccccc4)C3)C2)cc1
SubComponent,Modify the molecule halo by substituting a Cc1cccc(C)c1SCc1csc(Cc2ccc(F)cc2Cl)n1 with a nitrile.,Cc1cccc(C)c1SCc1csc(Cc2ccc(C#N)cc2Cl)n1
DelComponent,Remove a amide from the molecule O=C1CCCC(C(=O)N2CCCCCC2c2ncon2)N1.,O=C1CCC2CCCCCC(c3ncon3)N12
LogP,Optimize the molecule Cc1ccncc1Cn1cnc(CBr)c1 to have a lower LogP value.,Cc1cn(Cc2cnccc2C)cn1
MR,Modify the molecule CCNC(=[NH+]CCCOc1ccc(Cl)cc1C)N1CCC(C(=O)OC)CC1 to have a lower MR value.,CCNC(=[NH+]CCCOCCl)N1CCC(C(=O)OC)CC1
QED,Optimize the molecule CC1(C)CCCC1C(=O)NCC1CCC2(CCOCC2)C1O to have a higher QED value.,CC(=O)C1C(CNC(=O)C2CCCC2(C)C)CCC12CCOCC2
AtomNum,"There is a molecule with 10 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",O=S(=O)(NCc1cccnn1)c1cnc(Cl)c(Cl)c1
BondNum,"The molecule consists of 7 single bonds, 2 rotatable bonds, and 10 aromatic bonds.",OCC1CN(c2nccn3nccc23)C1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, 1 amide group, 1 halo group, and 1 sulfide group.",O=C(c1sccc1Br)N(CCO)Cc1cccnc1
AddComponent,Add a amine to the molecule CC(=O)OC1CC(C(OC(=O)c2ccccc2)C2CCCC2)OC1n1c(=O)sc2c(=O)nc(N)[nH]c21.,CC(=O)OC1CC(C(OC(=O)c2ccccc2)C2(N)CCCC2)OC1n1c(=O)sc2c(=O)nc(N)[nH]c21
SubComponent,Substitute a CCOC(=O)C1CCC(c2cccc(F)c2)CC1 in the molecule halo with a aldehyde.,CC(=O)c1cccc(C2CCC(C(=O)OCC)CC2)c1
DelComponent,Modify the molecule CCCc1cccc(C(=O)c2cccnc2C)c1 by removing a benzene ring.,CCCC(=O)c1cccnc1C
LogP,Optimize the molecule O=C(CO)SC(=O)C(O)CO to have a higher LogP value.,O=C(CF)SC(=O)C(O)CO
MR,Modify the molecule COc1cc2[nH]c(=O)c(=O)n(CC(=O)[O-])c2cc1-n1ccnc1 to increase its MR value.,COc1c(-n2ccnc2)cc2c([nH]c(=O)c(=O)n2CC(=O)[O-])c1-c1ccccc1
QED,Modify the molecule CS(=O)(=O)NCCC[NH+]1CCC(O)CC1 to have a higher QED value.,CS(=O)(=O)NC(CC[NH+]1CCC(O)CC1)c1ccccc1
AtomNum,"The molecule has 4 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",NS(=O)(=O)N1CCC(F)(F)C1
BondNum,"Please generate a molecule composed of 14 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",CC(C)(C)N1C(=O)CCC([NH3+])C1c1ccc(F)c(F)c1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 halo group, 1 sulfide group, and 1 sulfone group.",Cc1ccc2sc(N(Cc3ccccc3)C(=O)CCS(=O)(=O)c3ccc(F)cc3)nc2c1C
AddComponent,Modify the molecule O=Cc1ccc(CNc2ccccc2C(F)(F)F)cc1 by adding a benzene ring.,O=C(c1ccccc1)c1ccc(CNc2ccccc2C(F)(F)F)cc1
SubComponent,Substitute a halo in the molecule NC(=O)[N-]C(=O)OCC([NH3+])COc1noc2ccc(Cl)cc12 with a aldehyde.,CC(=O)c1ccc2onc(OCC([NH3+])COC(=O)[N-]C(N)=O)c2c1
DelComponent,Please remove a amide from the molecule Cc1ccc(OCC(=O)Nc2nccs2)c([N+](=O)[O-])c1.,Cc1ccc(Oc2nccs2)c([N+](=O)[O-])c1
LogP,Please optimize the molecule O=C(NCC(=O)N1CC[NH+](CC(=O)N2CCOCC2)CC1)c1sc2ccccc2c1Cl to have a higher LogP value.,O=C(C[NH+]1CCN(C(=O)Cc2(Cl)c3ccccc3s-2)CC1)N1CCOCC1
MR,Please modify the molecule COc1ccc(NC(=O)N2CCC([NH+](C)C)C(CCC(=O)[O-])C2)cc1Cl to increase its MR value.,COc1c(Cl)cc(NC(=O)N2CCC([NH+](C)C)C(CCC(=O)[O-])C2)cc1-c1ccccc1
QED,Please optimize the molecule CCc1ccccc1OCCOCCN1CC[NH2+]CC1 to have a lower QED value.,CCOCCOCCN1CC[NH2+]CC1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC1(OC(=O)NC(Cc2ccccc2)C(=O)[O-])CCC1
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",O=[N+]([O-])c1cccc(CNOCc2ccccc2)c1Br
FunctionalGroup,"The molecule consists of 1 amide group, and 1 sulfide group.",Cc1csc(=O)n1CCC(=O)N1CCOC(Cn2cccn2)C1
AddComponent,Modify the molecule CCC12C[N+]1(C([N+]1(C)C=CN(C)C1C)S(=O)(=O)[O-])C=CN2 by adding a hydroxyl.,CCC12C[N+]1(C([N+]1(C)C=CN(C)C1CO)S(=O)(=O)[O-])C=CN2
SubComponent,Please substitute a halo in the molecule Cc1cc(C(=O)Nc2cc(F)ccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(C(=O)Nc3ccccc3C)c(Cl)c2)CC1 with a nitrile.,Cc1cc(C(=O)Nc2cc(C#N)ccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(C(=O)Nc3ccccc3C)c(Cl)c2)CC1
DelComponent,Please remove a CC1(C)OC2C=CC([NH+](CCC[NH+](C3C=CC4OC(C)(C)OC4C3O)C3C=CC4OC(C)(C)OC4C3O)C3C=CC4OC(C)(C)OC4C3O)C(O)C2O1 from the molecule hydroxyl.,CC1(C)OC2C=CC([NH+](CCC[NH+](C3C=CC4OC(C)(C)OC4C3O)C3C=CC4OC(C)(C)OC4C3O)C3C=CC4OC(C)(C)OC4C3O)CC2O1
LogP,Please optimize the molecule Cc1ccc(OCc2c[nH+]c(C)n2C)cc1 to have a lower LogP value.,COCc1c[nH+]c(C)n1C
MR,Modify the molecule Cc1cccc(C(=O)N(C)Cc2ccc(F)c(F)c2)c1F to increase its MR value.,Cc1cccc(C(=O)N(C)Cc2cc(F)c(F)cc2-c2ccccc2)c1F
QED,Please modify the molecule COc1ccc(C(C[NH3+])c2ccccc2)cc1F to increase its QED value.,COc1ccc(C(C[NH3+])c2ccccc2)cc1C#N
AtomNum,"There is a molecule consisting of 27 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)C2c2ccc(C)o2)c1
BondNum,"The molecule is composed of 15 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(=O)c1ccc(NC(=O)NC2CCC(CO)CC2)cc1C
FunctionalGroup,"The molecule has 3 benzene ring groups, 4 amide groups, and 3 halo groups.",CNC(=O)c1cc(Cl)ccc1NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2C)CC1
AddComponent,Please add a benzene ring to the molecule COC(c1ccccc1)c1nc(Cl)n[nH]1.,COC(c1cccc(-c2ccccc2)c1)c1nc(Cl)n[nH]1
SubComponent,Modify the molecule hydroxyl by substituting a CC(=O)c1c(C)c(=C(O)c2ccccc2)n2n[n+](-c3ccccc3)nc12 with a aldehyde.,CC(=O)C(c1ccccc1)=c1c(C)c(C(C)=O)c2n[n+](-c3ccccc3)nn12
DelComponent,Modify the molecule amine by removing a COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3OC)c3c(N)ncnc3n2)c(OC)c1.,COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3OC)c3cncnc3n2)c(OC)c1
LogP,Modify the molecule COc1cccc(Cn2c(C)c(CC(=O)NN)c3cc(OC)ccc32)c1 to have a lower LogP value.,COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1ccc(C#N)c(OC)c1
MR,Optimize the molecule C=CCOC(=O)C1=C(C)Nc2nc(SCC)nn2C1c1ccc(OCc2ccccc2F)c(OC)c1 to have a higher MR value.,C=CCOC(=O)C1=C(C)Nc2nc(SCC)nn2C1c1ccc(OCc2ccccc2C#N)c(OC)c1
QED,Optimize the molecule CC(=O)OCC1OC(Oc2ccc([O-])c3c2CC(C)OC3=O)C(O)C(O)C1O to have a higher QED value.,CC(=O)OCC1OC(Oc2ccc([O-])c3c2CC(C)OC3=O)C(O)CC1O
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC1(C)CNc2cc(Cc3ccccc3F)cnc21
BondNum,"The molecule consists of 35 single bonds, 2 double bonds, and 9 rotatable bonds.",CC(O)CC(O)C(C)C(O)C(C)CC(C)C1OC(=O)C(C(C)C)NC(=O)CC(O)CC(O)C(C)CC1C
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, and 2 halo groups.",Cc1cc(Br)cc(C)c1NC(=O)N(NC(=O)Nc1cccc(Cl)c1)c1ccccc1
AddComponent,Add a hydroxyl to the molecule COc1ccc(-c2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)cc1.,COc1ccc(-c2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)c(O)c1
SubComponent,Modify the molecule COCCn1c(CN(CC(C)C)C(=O)c2ccc(C)cc2)c[nH+]c1S(=O)(=O)Cc1ccc(F)cc1 by substituting a halo with a thiol.,COCCn1c(CN(CC(C)C)C(=O)c2ccc(C)cc2)c[nH+]c1S(=O)(=O)Cc1ccc(S)cc1
DelComponent,Modify the molecule COc1cccc(CN2C(=O)COc3ccc(C(=O)NO)cc32)c1 by removing a hydroxyl.,COc1cccc(CN2C(=O)COc3ccc(C(N)=O)cc32)c1
LogP,Modify the molecule COc1cc(F)c(C(=O)NC2(C(=O)[O-])CCC(C)CC2)cc1OC to increase its LogP value.,CC(=O)c1cc(OC)c(OC)cc1C(=O)NC1(C(=O)[O-])CCC(C)CC1
MR,Please optimize the molecule CCNc1cccnc1S(=O)(=O)NCCC[NH+](C)C to have a lower MR value.,CCNc1cccnc1S(=O)(=O)CCC[NH+](C)C
QED,Please modify the molecule CC(C)C(NC(=O)COCC[NH3+])c1cccs1 to decrease its QED value.,CC(C)C(NC(=O)COC(N)C[NH3+])c1cccs1
AtomNum,"The molecule consists of 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC(C)CC1NC(=O)N(CC(=O)Nc2ccc3ccccc3c2)C1=O
BondNum,"Please generate a molecule with 21 single bonds, 3 double bonds, 13 rotatable bonds, and 24 aromatic bonds.",[NH3+]C(CCCCNC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2C1P(=O)(Oc1ccccc1)Oc1ccccc1
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 2 amide groups, and 1 halo group.",COc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)c1
AddComponent,Please add a amine to the molecule O=C(Nc1ccccc1)N1CCCC(CCO)C1.,NC1(CCO)CCCN(C(=O)Nc2ccccc2)C1
SubComponent,Please substitute a halo in the molecule COc1ccccc1NC(=O)CC[NH+]1CCCC1Cc1ccccc1Cl with a aldehyde.,CC(=O)c1ccccc1CC1CCC[NH+]1CCC(=O)Nc1ccccc1OC
DelComponent,Modify the molecule halo by removing a Clc1nccc(C(c2ccccc2)C2CCCCC2)c1Cl.,Clc1cnccc1C(c1ccccc1)C1CCCCC1
LogP,Modify the molecule CS(=O)(=O)c1cccc(C(=O)NCC2(c3ccc(F)cc3)CCCCC2)c1 to have a lower LogP value.,CS(=O)(=O)c1cccc(C(=O)NCC2(c3ccc(C(=O)[OH])cc3)CCCCC2)c1
MR,Please modify the molecule NC(=S)c1cc(Br)ccc1Oc1ccc(Br)cc1F to increase its MR value.,NC(=S)c1cc(Br)ccc1Oc1cc(-c2ccccc2)c(Br)cc1F
QED,Please optimize the molecule N#Cc1ccnc(N2CCN(c3ccccn3)CC2)n1 to have a lower QED value.,ONc1ccnc(N2CCN(c3ccccn3)CC2)n1
AtomNum,"The molecule consists of 13 carbon atoms, and 4 nitrogen atoms.",CCc1ccccc1C([NH3+])c1cnnn1CC
BondNum,"Please generate a molecule composed of 21 single bonds, 6 double bonds, and 8 rotatable bonds.",CCCCC(=S)NC1=CC=C(Br)C2C1=C(Br)C=CC2NC(=S)CCCC
FunctionalGroup,The molecule consists of and 1 sulfide group.,O=C(NCCc1nccs1)N1CCC(C[NH+]2CCOCC2)CC1
AddComponent,Modify the molecule CS(=O)(=O)C1CCN(C(=O)CCc2cccc(OCc3ccccc3)c2)C1 by adding a hydroxyl.,CS(=O)(=O)C1CCN(C(=O)CCc2cccc(OCc3cccc(O)c3)c2)C1
SubComponent,Substitute a CC(C)C[NH2+]CC(O)Cc1cccnc1N in the molecule hydroxyl with a aldehyde.,CC(=O)C(C[NH2+]CC(C)C)Cc1cccnc1N
DelComponent,Modify the molecule amide by removing a O=C1C(=O)N(C2CCCC2)C(c2ccco2)C1=C([O-])c1ccc2c(c1)CCCO2.,[O-]C(=C(O)C(c1ccco1)C1CCCC1)c1ccc2c(c1)CCCO2
LogP,Please optimize the molecule Cc1ccccc1CC([NH2+]Cc1ccccc1)c1ccccc1 to have a lower LogP value.,Cc1ccccc1CC[NH2+]Cc1ccccc1
MR,Optimize the molecule Cc1ccc(NC(=O)c2cccc(C)c2NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)CC2)C(C)C)c(F)c1 to have a lower MR value.,Cc1ccc(NC(=O)c2cccc(C)c2NC(=O)C(NC(=O)C2CC[NH+](CC(=O)N(Cl)C(=O)N(C)C)CC2)C(C)C)c(F)c1
QED,Modify the molecule O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc12 to decrease its QED value.,O=C(CN(c1ccc(S)cc1Cl)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc12
AtomNum,"The molecule consists of 23 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",Cc1nc(NC(=O)c2ccc(=O)n(CC(=O)N(C)CC(C)c3ccccc3)c2)sc1C
BondNum,"The molecule contains 13 single bonds, and 1 rotatable bond.",CC(C)(C)CC1C(C)(C)OC1(C)C
FunctionalGroup,Please generate a molecule composed of and 2 ester groups.,CCOc1ccc(C(OC(C)=O)OC(C)=O)nc1
AddComponent,Please add a benzene ring to the molecule CCC1CSC(COC)[NH2+]1.,CCC1(c2ccccc2)CSC(COC)[NH2+]1
SubComponent,Modify the molecule CC(C)CC(NC(=O)C(CCCC[NH3+])NC(=O)C(CCC(=O)[O-])NC(=O)C(C)NC(=O)C([NH3+])C(C)O)C(=O)[O-] by substituting a hydroxyl with a thiol.,CC(C)CC(NC(=O)C(CCCC[NH3+])NC(=O)C(CCC(=O)[O-])NC(=O)C(C)NC(=O)C([NH3+])C(C)S)C(=O)[O-]
DelComponent,Modify the molecule halo by removing a CCOCC[NH+](CC)CCC(O)c1ccc(Br)cc1Cl.,CCOCC[NH+](CC)CCC(O)c1ccc(Br)cc1
LogP,Optimize the molecule CCOC(=O)C(=C1N=c2ccccc2=N1)C(O)=C1C=CN(C)C=C1 to have a higher LogP value.,CCOC(=O)C(C=C1C=CN(C)C=C1)=C1N=c2ccccc2=N1
MR,Modify the molecule Cc1ccccc1NC(=O)c1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)N4CCCC(C)C4)c3)CC2)cc1 to have a lower MR value.,Cc1ccccc1NC(=O)c1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCCC(C)C4)c3)CC2)cc1
QED,Please modify the molecule COC1(Cn2c(CCCl)nc3cc(C)cnc32)CCOC1 to increase its QED value.,CCc1nc2cc(C)cnc2n1CC1(OC)CCOC1
AtomNum,"The molecule contains 16 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",Cc1cccc(F)c1NCCOc1cccc(C(=O)[O-])c1
BondNum,"There is a molecule composed of 19 single bonds, and 5 rotatable bonds.",FC(F)COCCN1CC[NH2+]CC12CCCCC2
FunctionalGroup,"Please generate a molecule with 1 thioether group, and 1 sulfide group.",[NH3+]CCSc1ccc2cc3c(cc2n1)OCCO3
AddComponent,Add a hydroxyl to the molecule CCOC1(C)C(C)C2C=CC(O2)C1C.,CCOC1(CO)C(C)C2C=CC(O2)C1C
SubComponent,Modify the molecule halo by substituting a CCc1ccsc1C(NN)c1cc(C)cc(F)c1 with a carboxyl.,CCc1ccsc1C(NN)c1cc(C)cc(C(=O)[OH])c1
DelComponent,Modify the molecule amide by removing a O=C(C1CC(N(Cc2cccs2)C(=O)C2CC2)CN1C(=O)C1CC1)N1CC[NH2+]CC1.,CCC1(C(=O)N2CC[NH2+]CC2)CC(N(Cc2cccs2)C(=O)C2CC2)C1
LogP,Optimize the molecule CCCCCC(O)CCc1ccc2ccccc2c1 to have a higher LogP value.,CCCCCCCCc1ccc2ccccc2c1
MR,Modify the molecule CC(C)[NH2+]C1(C2(C(C)C)OC[NH+]=C3NC(Cl)=CCC32)CCC(C)(C)CC1 to have a lower MR value.,CC(C)[NH2+]C1(C2(C(C)C)OC[NH+]=C3NC(C#N)=CCC32)CCC(C)(C)CC1
QED,Optimize the molecule CC(C)(C)[Si](OCC1CC2C(=O)N(c3ccccc3)C(=O)C2C2CC(c3cccc(O)c3)OC12O)(c1ccccc1)c1ccccc1 to have a lower QED value.,CC(C)(C)[Si](OCC1CC(C(=O)c2ccccc2)C2CC(c3cccc(O)c3)OC12O)(c1ccccc1)c1ccccc1
AtomNum,"Please generate a molecule with 28 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C)cc(-c3cccc(C(F)(F)F)c3)cc2C(=O)NO)cc1
BondNum,"The molecule has 13 single bonds, 1 double bond, 9 rotatable bonds, and 12 aromatic bonds.",CCC(C)[NH+](Cc1cccc(OCC(N)=O)c1)Cc1ccccc1Cl
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 1 ketone group.",Cc1c(O)c(C(=O)C=C[NH+](C)C)cc2c3c(c(=O)oc12)CCC3
AddComponent,Modify the molecule COC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(F)c2)ccc1Cl by adding a amine.,COC(=O)c1cc(S(=O)(=O)N(C)Cc2cc(N)cc(F)c2)ccc1Cl
SubComponent,Modify the molecule halo by substituting a O=C(c1ccccc1O)N1CCN(c2c(F)cc(N3CC(CBr)OC3=O)cc2F)CCO1 with a thiol.,O=C(c1ccccc1O)N1CCN(c2c(F)cc(N3CC(CBr)OC3=O)cc2S)CCO1
DelComponent,Remove a hydroxyl from the molecule C=C(C)C1CCC(C)C2(O)CC(OC(C)=O)C(C)=CC12.,C=C(C)C1CCC(C)C2CC(OC(C)=O)C(C)=CC12
LogP,Please modify the molecule C[NH2+]CCc1ccccc1C(=O)Nc1nccnn1 to decrease its LogP value.,C[NH2+]CCc1ccccc1C(=O)Nc1ncc(O)nn1
MR,Please modify the molecule COc1c(C)c(C(=O)c2ccc(N)c(C(=O)[O-])c2)n2cccc(OCCOCCOCCOCCOCCOCCOCCI)c12 to decrease its MR value.,COc1c(C)c(C(=O)c2ccc(N)c(C(=O)[O-])c2)n2cccc(OCCOCCOCCOCCOCCOCCOCCC#N)c12
QED,Please modify the molecule C[NH+]=C(NCCCc1nn(-c2ccccc2)c(N)c1C#N)NCC(C)c1ccccc1 to decrease its QED value.,C[NH+]=C(NCCCc1nn(-c2ccccc2)c(N)c1C(=O)[OH])NCC(C)c1ccccc1
AtomNum,"The molecule is composed of 22 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",CC1([NH3+])CCCCC1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1
BondNum,"The molecule has 11 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C1CCC(C(=O)[O-])[NH+](Cc2ccc(F)cc2)C1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amine group.",Cc1ccc(C)c(-c2c(C(=O)[O-])noc2N)c1
AddComponent,Modify the molecule CC([NH3+])(CO)c1[nH]c2ccccc2c1Br by adding a carboxyl.,CC([NH3+])(CO)c1[nH]c2c(C(=O)O)cccc2c1Br
SubComponent,Substitute a hydroxyl in the molecule C[NH+]1CCC23CC[NH+](CC4CC4)CC2C1Cc1ccc(O)cc13 with a nitrile.,C[NH+]1CCC23CC[NH+](CC4CC4)CC2C1Cc1ccc(C#N)cc13
DelComponent,Please remove a O=C(OCc1ccc(Cl)cc1)C1CCCC[NH2+]1 from the molecule halo.,O=C(OCc1ccccc1)C1CCCC[NH2+]1
LogP,Optimize the molecule COc1cccc(N2CCN(C(=O)C3CCCc4sc(NC(=O)c5ccc(C)cc5)nc43)CC2)c1 to have a lower LogP value.,COc1cccc(N2CCN(C(=O)C3CCCc4sc(NC(C)=O)nc43)CC2)c1
MR,Please optimize the molecule COc1ccc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)cc1C to have a lower MR value.,COc1ccc(S(=O)(=O)N(C)Cc2cccc(O)c2)cc1C
QED,Please optimize the molecule COc1cc(F)c(C(Cl)C2(c3ccccc3)CC2)c(F)c1 to have a lower QED value.,COc1cc(F)c(C(Cl)C2CC2)c(F)c1
AtomNum,"Please generate a molecule composed of 29 carbon atoms, 8 oxygen atoms, and 1 nitrogen atom.",C=CC1(C)CCC2(O)C3(C)CCCC(C)(C)C3C(OC(=O)CC[NH+]3CCOCC3)C(OC(=O)CO)C2(C)O1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 rotatable bond, and 6 aromatic bonds.",Cc1ccc2c(c1)C[NH2+]C(C(C)C)CN2
FunctionalGroup,Please generate a molecule composed of and 1 aldehyde group.,CCOc1ccc2c(c1)C=C(C=O)CO2
AddComponent,Please add a carboxyl to the molecule CN(C)C(=O)N1CCN(c2ccc3c(c2)COC2(CC[NH+](C4CCC4)CC2)O3)CC1.,CN(C)C(=O)N1CCN(c2ccc3c(c2)COC2(CC[NH+](C4CCC4)CC2)O3)CC1C(=O)O
SubComponent,Please substitute a O=C(CSc1ccc2c(c1)OCCO2)N(Cc1ccccc1F)C1CC1 in the molecule halo with a carboxyl.,O=C([OH])c1ccccc1CN(C(=O)CSc1ccc2c(c1)OCCO2)C1CC1
DelComponent,Modify the molecule halo by removing a N#Cc1ccccc1Cn1nnnc1Cc1ccccc1F.,N#Cc1ccccc1Cn1nnnc1Cc1ccccc1
LogP,Please modify the molecule CCOc1ccc(NC(=O)CSc2nnc(N3C([NH3+])=C(C#N)C(c4ccco4)C4=C3CC(C)(C)CC4=O)s2)cc1 to decrease its LogP value.,CCONC(=O)CSc1nnc(N2C([NH3+])=C(C#N)C(c3ccco3)C3=C2CC(C)(C)CC3=O)s1
MR,Modify the molecule CSc1ccc(C=NNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cc1 to increase its MR value.,CSc1ccc(C=NNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)c(CC=O)c1
QED,Modify the molecule Cc1cccc(CCNC(=O)C2(C[NH3+])CCCCC2)c1 to decrease its QED value.,[NH3+]CC1(C(=O)NCCc2cccc(Cc3ccccc3)c2)CCCCC1
AtomNum,"There is a molecule composed of 25 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",CCC(C(=O)N1CCC(NC(=O)CCc2c(C)nc3ncnn3c2C)CC1)c1ccccc1
BondNum,"Please generate a molecule with 15 single bonds, 2 double bonds, 11 rotatable bonds, and 12 aromatic bonds.",COCCNC(=O)CSc1ccccc1C(=O)OCCOc1cccc(Cl)c1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 3 amide groups, and 1 halo group.",O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1
AddComponent,Please add a benzene ring to the molecule CCNc1ncc(Br)c(Oc2ccc(Br)cc2[N+](=O)[O-])n1.,CCNc1nc(Oc2ccc(Br)cc2[N+](=O)[O-])c(Br)c(-c2ccccc2)n1
SubComponent,Substitute a CC(C)(C)[NH2+]CC(O)COC1CCCCC1 in the molecule hydroxyl with a nitro.,CC(C)(C)[NH2+]CC(COC1CCCCC1)NO
DelComponent,Modify the molecule nitrile by removing a COc1cccc2sc(CBr)c(C#N)c12.,COc1cccc2sc(CBr)cc12
LogP,Please modify the molecule O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 to decrease its LogP value.,O=C(Nc1nnc(-c2ccc(C(F)(F)S)cc2)o1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1
MR,Modify the molecule CC(C)N1CC(C(=O)NCCNC(=O)c2ccccc2Cl)CC1=O to decrease its MR value.,CC(C)N1CC(C(=O)NCCNC(=O)Cl)CC1=O
QED,Modify the molecule CC(C)(C)C(NC(=O)c1cccn2c(-c3ccc(Nc4nccs4)cc3)nnc12)C(=O)[O-] to increase its QED value.,CC(C)(C)C(NC(=O)c1cccn2c(Nc3nccs3)nnc12)C(=O)[O-]
AtomNum,"The molecule contains 30 carbon atoms, 9 nitrogen atoms, and 6 fluorine atoms.",CCc1nn(CC)c2nc(N(CC(C)C)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)cc12
BondNum,"There is a molecule composed of 5 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",N=C(c1ccc(Cl)c(Cl)c1)c1sc2ccccc2c1O
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, and 1 amine group.",CCN1CC(C)(C)Nc2ccc(CO)cc21
AddComponent,Modify the molecule COC(=O)C1CCn2c(C3CC3)nc(Cl)c2C1 by adding a hydroxyl.,COC(=O)C1Cc2c(Cl)nc(C3CC3)n2CC1O
SubComponent,Modify the molecule O=C1c2cc(I)ccc2S(=O)(=O)N1Cc1cccc(F)c1 by substituting a halo with a carboxyl.,O=C([OH])c1ccc2c(c1)C(=O)N(Cc1cccc(F)c1)S2(=O)=O
DelComponent,Please remove a benzene ring from the molecule Cc1ccccc1-c1nn(C[NH+](C)Cc2ccc(N3CCOCC3)cc2)c(=S)o1.,Cc1ccccc1-c1nn(C[NH+](C)CN2CCOCC2)c(=S)o1
LogP,Modify the molecule COC(=O)c1ccc2ccccc2c1OC1OC(CO)C(O)C(O)C1NC(C)=O to have a higher LogP value.,COC(=O)c1ccc2ccccc2c1OC1CC(O)C(O)C(CO)O1
MR,Modify the molecule COc1ccc(F)cc1C(=O)C[NH+](C)C(C)CO to have a higher MR value.,COc1ccccc1C(=O)C[NH+](C)C(C)CO
QED,Please optimize the molecule O=C([O-])C1(Cc2cc(Br)ccc2F)CCCS1 to have a lower QED value.,N#Cc1ccc(F)c(CC2(C(=O)[O-])CCCS2)c1
AtomNum,"The molecule is composed of 20 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cn1ccnc1Sc1ccccc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O
BondNum,"Please generate a molecule with 26 single bonds, 4 double bonds, 13 rotatable bonds, and 18 aromatic bonds.",[NH3+]CCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)OC(=O)C(F)(F)F)CC(=O)N2Cc1cccc(Oc2ccccc2)c1
FunctionalGroup,Please generate a molecule consisting and 1 ester group.,CCC1(C)CC[NH+](CCC([NH2+]C(C)C)C(=O)OC)CC1
AddComponent,Modify the molecule CC12[NH2+]C(CO1)C(O)C(O)C2O by adding a hydroxyl.,CC12[NH2+]C(O)(CO1)C(O)C(O)C2O
SubComponent,Substitute a nitro in the molecule CC(=O)c1c(I)cccc1[N+](=O)[O-] with a halo.,CC(=O)c1c(I)cccc1I=O
DelComponent,Remove a amide from the molecule CCCCc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2CSc2nc(C)cc(C)n2)cc1.,CCCCc1ccc(-c2(CSc3nc(C)cc(C)n3)n(-c3ccc(F)cc3)nn-2)cc1
LogP,Please modify the molecule Cc1nc2c(C)cccn2c1C(=O)NCCCC(=O)N1CCN(c2ccc(F)cc2)CC1 to decrease its LogP value.,Cc1nc2c(C)cccn2c1C(=O)NCCCC(=O)N1CCN(c2ccc(C(=O)[OH])cc2)CC1
MR,Please optimize the molecule CC(NC(=O)C=Cc1ccco1)C(O)c1ccc(F)c(F)c1 to have a lower MR value.,CC(Cc1ccc(F)c(F)c1)NC(=O)C=Cc1ccco1
QED,Please optimize the molecule Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4COCCN(C(=O)OC(C)(C)C)C4)ncnc32)cc1 to have a higher QED value.,CN(c1ncnc2c1ccn2S(C)(=O)=O)C1COCCN(C(=O)OC(C)(C)C)C1
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CNC(=O)C[NH2+]CCN(C(C)C)C(C)C
BondNum,"The molecule is composed of 23 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCC1=C[NH+]=C(Nc2ccc([S-])cc2F)C(C)C1OCC1CC2CCC(C1)[NH2+]2
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, 1 ketone group, and 4 halo groups.",CC(=O)c1cc(F)ccc1N(CCO)CC(F)(F)F
AddComponent,Add a hydroxyl to the molecule CC1SCCC[NH2+]C1c1cccc(Br)c1.,CC1SCC(O)C[NH2+]C1c1cccc(Br)c1
SubComponent,Please substitute a hydroxyl in the molecule CCCCCCCCCCCCCCCC(=O)NC1C(O)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)[O-] with a halo.,CCCCCCCCCCCCCCCC(=O)NC1C(Cl)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)[O-]
DelComponent,Remove a N#Cc1c(NC(=O)COC(=O)Cn2cncn2)sc2c1CCCC2 from the molecule amide.,N#Cc1c(OC(=O)Cn2cncn2)sc2c1CCCC2
LogP,Please optimize the molecule COc1ccccc1C(Cl)Cc1ccccc1F to have a lower LogP value.,COc1ccccc1C(Cl)Cc1ccccc1
MR,Modify the molecule O=C([O-])N1CCC(Sc2ccc3cc(Cl)ccc3c2)CC1 to decrease its MR value.,O=C([O-])N1CCC(Sc2ccc3ccccc3c2)CC1
QED,Please optimize the molecule CCCCCCc1cccc(N(c2cccc(CCCCCC)c2)c2ccc3c(c2)c2cc(CC)ccc2n3-c2ccc(C)cc2)c1 to have a lower QED value.,CCCCCCc1cccc(N(c2cccc(CCCCCC)c2)c2ccc3c(c2)c2cc(CC)ccc2n3-c2ccc(C)cc2-c2ccccc2)c1
AtomNum,"Please generate a molecule with 14 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC(C)[NH2+]CC1CCCCN1CCN1CCNC1=O
BondNum,"There is a molecule composed of 10 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",COc1ccc(-c2coc3cc(OC(=O)N(C)C)cc(=O)c-3c2[O-])cc1
FunctionalGroup,"There is a molecule with 1 amide group, and 1 nitro group.",Cc1nn(CCC(=O)NCCC(C)[NH3+])c(C)c1[N+](=O)[O-]
AddComponent,Modify the molecule CCOC(=O)C(=[N+]=[N-])C(=O)CCC1CCCCC(=O)C1 by adding a carboxyl.,[N-]=[N+]=C(C(=O)CCC1CCCCC(=O)C1)C(=O)OCCC(=O)O
SubComponent,Please substitute a CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 in the molecule halo with a thiol.,CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(S)cc2)cc1
DelComponent,Modify the molecule benzene ring by removing a Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)c3ccccc3)c3ccccc23)c(=O)[nH]1.,CCn1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21
LogP,Please modify the molecule Cc1ccc(C=Cc2ccc([O-])c3c2CC2([NH3+])CC4(N)C([NH+](C)C)C(=O)C(C(N)=O)C(=O)C4(C#N)C(=O)C2C3=O)cc1 to increase its LogP value.,Cc1ccc(C=Cc2ccc([O-])c3c2CC2([NH3+])CC4(N)C([NH+](C)C)C(=O)C(C(N)=O)C(=O)C4(Br)C(=O)C2C3=O)cc1
MR,Optimize the molecule O=C([O-])c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccccc12 to have a lower MR value.,O=C([O-])c1c(O)c(-c2ccc(O)cc2)nc2ccccc12
QED,Optimize the molecule [NH3+]CCCNc1ncnc2sncc12 to have a higher QED value.,[NH3+]CCCc1ncnc2sncc12
AtomNum,"There is a molecule with 17 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC(c1cc(O)cc(O)c1)[NH+](C)CCc1ccccc1
BondNum,"Please generate a molecule consisting 15 single bonds, 2 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3Cl)C2c2ccc(F)cc2)c1OC
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 hydroxyl groups.",CCCC[NH+]1CCCC1Cc1ccc(O)c(O)c1
AddComponent,Modify the molecule [NH3+]Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)o1 by adding a hydroxyl.,[NH3+]Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2O)o1
SubComponent,Substitute a CSCCC(NC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)NC(CO)C(=O)[O-] in the molecule hydroxyl with a thiol.,CSCCC(NC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)NC(CS)C(=O)[O-]
DelComponent,Please remove a COc1ccccc1CC(=O)N1CC[NH+](C)CC1C(N)=O from the molecule amide.,COc1ccccc1CC(=O)N1CC[NH+](C)C1
LogP,Optimize the molecule COc1ccc(OC)c(-c2cc(C(=O)Cl)c(C)s2)c1 to have a lower LogP value.,COc1ccc(OC)c(-c2cc(C=O)c(C)s2)c1
MR,Modify the molecule CC1(C)CCN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CCS1=O to have a higher MR value.,CC1(C)CCN(C(=O)Cn2nnc(-c3ccc(NO)cc3)n2)CCS1=O
QED,Optimize the molecule CCC=CC=CC(OC(C=CC=CCC)C1OC(CO)C(O)C(O)C1O)C1OC(CO)C(O)C(O)C1O to have a higher QED value.,CCC=CC=CC(OC(C=CC=CCC)C1OC(CO)C(O)C(O)C1O)C1OC(C)C(O)C(O)C1O
AtomNum,"There is a molecule consisting of 13 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",Cc1cc(C=O)cnc1Oc1c(Cl)cccc1[N+](=O)[O-]
BondNum,"Please generate a molecule consisting 22 single bonds, 3 double bonds, and 3 rotatable bonds.",CC1(C)CCC(C(=O)NC2CS(=O)(=O)CC2N2CCOCC2)C1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ketone group, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",CCC(c1ccc(C(N)=O)c(F)c1C(=O)c1c[nH]c2ncnc(NC(C)C)c12)S(=O)(=O)[O-]
AddComponent,Add a benzene ring to the molecule Cc1ccc(-n2cnnn2)cc1NCc1ccccc1Cl.,Cc1ccc(-n2cnnn2)cc1NCc1cccc(-c2ccccc2)c1Cl
SubComponent,Please substitute a COc1cccc(-c2cc3ccc(O)c(C[NH+]4CCN(C)CC4)c3oc2=O)c1 in the molecule hydroxyl with a aldehyde.,CC(=O)c1ccc2cc(-c3cccc(OC)c3)c(=O)oc2c1C[NH+]1CCN(C)CC1
DelComponent,Please remove a halo from the molecule CCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(=O)[O-].,CCc1noc(C)c1C(=O)Nc1ccccc1C(=O)[O-]
LogP,Modify the molecule Cc1cc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4[nH+]3)cc2)c(C)cc1Cl to have a lower LogP value.,Cc1cc(S(=O)(=O)Nc2cn3ccsc3[nH+]2)c(C)cc1Cl
MR,Please modify the molecule COc1ccc(CNc2ncnc3c2ccn3C2CC(C[NH+](CC(C)C)C3CC(CCC(=O)Nc4ccc(C(C)(C)C)cc4N)C3)C3OC(C)(C)OC32)c(C)c1 to decrease its MR value.,COc1ccc(CNc2ncnc3c2ccn3C2CC(C[NH+](CC(C)C)C3CC(CCC(=O)Nc4ccc(C(C)(C)C)cc4)C3)C3OC(C)(C)OC32)c(C)c1
QED,Modify the molecule COc1ccc(-c2cnn(-c3ccc(C)cc3)[n+]2[O-])cc1 to have a higher QED value.,COc1ccc(-c2cnn(-c3ccc(CO)cc3)[n+]2[O-])cc1
AtomNum,"There is a molecule with 25 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(CCC(=O)N2CCC[NH+](CC(=O)NCc3ccccc3C)CC2)cc1
BondNum,"The molecule has 13 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCOc1ccc(C=CC(=O)OCC(=O)Nc2ccc(C)cc2)cc1OC
FunctionalGroup,"The molecule contains 1 halo group, and 1 sulfone group.",Cc1c(-c2nnc(S(=O)(=O)Cl)n2C)cnn1C
AddComponent,Please add a amine to the molecule CCC(C)C(C)CC1CCC1C.,CCC(C)C(C)CC1(N)CCC1C
SubComponent,Modify the molecule COc1ccc(Cl)cc1Nc1nncc(N2CCN(c3ccccn3)CC2)n1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(OC)c(Nc2nncc(N3CCN(c4ccccn4)CC3)n2)c1
DelComponent,Please remove a CC(C)CC(O)c1ccc2c(c1)COC2 from the molecule hydroxyl.,CC(C)CCc1ccc2c(c1)COC2
LogP,Please optimize the molecule CCOc1cc(N)cc(NCc2ccnc(OC)c2)c1 to have a higher LogP value.,CCOc1cc(N)cc(NCc2ccnc(OCc3ccccc3)c2)c1
MR,Optimize the molecule C=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C(C)(C)C to have a higher MR value.,C=C(Nc1c(O)cc(Cl)cc1C(=O)c1ccccc1)C(C)(C)C
QED,Modify the molecule CC1Cc2c(ccc3sc4ccccc4c23)C1O to have a lower QED value.,CC1Cc2ccc3sc4ccccc4c3c2C1
AtomNum,"The molecule is composed of 23 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC[NH+](CC)CCNC(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21
BondNum,"The molecule consists of 5 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",O=c1[nH]nc(SCc2ccc(Cl)cc2Cl)c(=S)[nH]1
FunctionalGroup,"There is a molecule with 3 amine groups, 2 thioether groups, and 1 sulfide group.",C[NH+]=C(NCCCCSC)NCCc1cn2cccc(C)c2[nH+]1
AddComponent,Add a hydroxyl to the molecule c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(-c5cccnc5)cn4)c23)cc1.,Oc1cc2c(ccn2-c2ccccc2)c2c1c1ccccc1n2-c1ccc(-c2cccnc2)cn1
SubComponent,Substitute a halo in the molecule O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC(Oc2ncccc2Cl)C1 with a thiol.,O=S(=O)(c1cccc(C(F)(F)S)c1)N1CC(Oc2ncccc2Cl)C1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(C=CC(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)cc1.,CCNC(=O)NC(=O)COC(=O)C=Cc1ccc(OC)cc1
LogP,Optimize the molecule CCN(CC)C(=O)C1CC(=O)c2ccc(F)cc2S1 to have a lower LogP value.,CCN(CC)C(=O)C1CC(=O)c2ccc(O)cc2S1
MR,Modify the molecule CCN(CC1CCCCO1)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 to have a lower MR value.,CCN(CC1CCCCO1)C(=O)Nc1ccc(OC)cc1
QED,Please optimize the molecule Cc1nnc2n1CC(C(=O)[O-])N(C(=O)C1CC(c3ccccc3)=NO1)C2 to have a higher QED value.,Cc1nnc2n1CC(C(=O)[O-])N(C(=O)C1CC(c3ccccc3O)=NO1)C2
AtomNum,"There is a molecule with 12 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(N)=O)cc1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 8 rotatable bonds, and 18 aromatic bonds.",O=C(NCc1cccc(O)c1)c1cccnc1SCCCc1ccc(F)cc1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,CCCC1(CCC)CC[NH2+]CC1Cc1ccccc1
AddComponent,Add a carboxyl to the molecule CCC(C)N(C)C(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1.,CCC(C)N(C)C(=O)c1ccc(N2CCCCC2C(=O)O)c(S(=O)(=O)N2CCCCC2)c1
SubComponent,Substitute a halo in the molecule Cc1cc2c(c3c1C(=O)C(=Cc1ccc(-c4ccccc4)cc1)O3)C[NH+](CCc1ccc(Cl)cc1)CO2 with a hydroxyl.,Cc1cc2c(c3c1C(=O)C(=Cc1ccc(-c4ccccc4)cc1)O3)C[NH+](CCc1ccc(O)cc1)CO2
DelComponent,Modify the molecule benzene ring by removing a NC1C[NH2+]C(C(O)Nc2cccc(-c3ccccc3)c2)C1.,NC1C[NH2+]C(C(O)Nc2ccccc2)C1
LogP,Modify the molecule O=P1(Nc2ccccc2C(F)(F)F)C=C(c2ccccc2)OC(c2ccccc2)=C1 to have a lower LogP value.,O=CCc1ccccc1C1=CP(=O)(Nc2ccccc2C(F)(F)F)C=C(c2ccccc2)O1
MR,Modify the molecule CCn1c(SC(C)C(=O)Nc2c(F)cccc2F)nnc1-c1ccoc1C to have a higher MR value.,CCn1c(SC(C)C(=O)Nc2c(F)cccc2C(=O)[OH])nnc1-c1ccoc1C
QED,Please modify the molecule CC(C)(CC(C1CC1)C1CCC=CO1)S(N)=O to increase its QED value.,CC(C)(CC(C1CC1)C1OC=CCC1c1ccccc1)S(N)=O
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(Cl)c1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",CCC=C(c1ccc(O)cc1)c1ccc(OCC[NH2+]C)cc1
FunctionalGroup,The molecule has and 3 amine groups.,C[NH+]=C(NCCOC)NCC1([NH+](C)C)CCOCC1
AddComponent,Modify the molecule CC1CCCCCCN(C(=O)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)CC1 by adding a amine.,CC1CCCCCCN(C(=O)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)CC1N
SubComponent,Please substitute a halo in the molecule C[Si](C)(Cl)N[Si](C)(C)Cl with a carboxyl.,C[Si](C)(Cl)N[Si](C)(C)C(=O)[OH]
DelComponent,Remove a halo from the molecule COC(C)CCC(=O)Nc1ccc(Br)cc1C#N.,COC(C)CCC(=O)Nc1ccccc1C#N
LogP,Modify the molecule Cc1cc(C)c(-c2ccc(C(c3ccc(-c4c(C)cc(C)cc4C)cc3)C3CCC[NH2+]3)cc2)c(C)c1 to decrease its LogP value.,CCCc1ccc(C(c2ccc(-c3c(C)cc(C)cc3C)cc2)C2CCC[NH2+]2)cc1
MR,Please modify the molecule CCCCC(=C(c1ccccc1)c1ccccc1)C(C)O to increase its MR value.,CCCCC(=C(c1ccccc1)c1ccccc1)C(C)S
QED,Please optimize the molecule COc1cccc(Nc2nnc(Nc3ccc4ncsc4c3)c3ccccc23)c1 to have a lower QED value.,COc1cccc(Nc2nnc(Nc3ccc4ncsc4c3)c3cc(O)ccc23)c1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1ccc(NC(=O)C2CCC[NH+]2C(C)C)nc1
BondNum,"Please generate a molecule composed of 10 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1cc(N(C)Cc2ncc(C)c(OC)c2C)ncn1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, 3 amine groups, and 1 halo group.",Nc1cc2nc(C(=O)NC3CCc4cc(-c5nn[n-]n5)ccc43)cc(C(=O)NCc3ccc(F)c(Nc4c(N)c(=O)c4=O)c3)n2n1
AddComponent,Please add a hydroxyl to the molecule CCC1CN(C(C)c2ccncc2)C(C)C[NH2+]1.,CCC1CN(C(C)c2ccnc(O)c2)C(C)C[NH2+]1
SubComponent,Please substitute a CCOC(=O)C=C(CCCOCc1ccc(OC)cc1)C(=CC(O)CC1C2OC(C)(CI)C1CC=C2C)CCCO[Si](C(C)C)(C(C)C)C(C)C in the molecule hydroxyl with a carboxyl.,CCOC(=O)C=C(CCCOCc1ccc(OC)cc1)C(=CC(CC1C2OC(C)(CI)C1CC=C2C)C(=O)[OH])CCCO[Si](C(C)C)(C(C)C)C(C)C
DelComponent,Modify the molecule halo by removing a O=S(=O)(NCC1CC[NH2+]CC1)c1c(F)cccc1F.,O=S(=O)(NCC1CC[NH2+]CC1)c1ccccc1F
LogP,Modify the molecule Cc1ccccc1C(=O)Nc1ccc(Cl)c(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC(C)C)c3)CC2)C(C)C)c1 to decrease its LogP value.,Cc1ccccc1C(=O)N(Cl)NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)NC(C)C)c2)CC1)C(C)C
MR,Modify the molecule COC1(C)CCCCC1[Se]C1C(=NO)C2(C)CCC1C2(C)C to increase its MR value.,CC(=O)N=C1C([Se]C2CCCCC2(C)OC)C2CCC1(C)C2(C)C
QED,Modify the molecule CC[NH+](CC)Cc1ccc(C(=O)NCC(O)(CC)CC)o1 to decrease its QED value.,CC[NH+](CC)Cc1ccc(C(=O)NCC(CC)(CC)C(=O)[OH])o1
AtomNum,There is a molecule consisting of 13 carbon atoms.,C1=CC2=CC(=C1)C2c1ccccc1
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",Cc1c(O)cccc1C(=O)NC1CCC(C)CC1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 2 amide groups, and 2 halo groups.",Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NC1CCC(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc23)CC1
AddComponent,Please add a benzene ring to the molecule CCCC(O)(CCC)CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-].,CCCC(O)(CCC)CNC(=O)c1c(-c2ccccc2)cccc1-c1ccccc1C(=O)[O-]
SubComponent,Modify the molecule halo by substituting a O=C(NCC1CCOC1c1ccccc1)c1ccncc1Cl with a thiol.,O=C(NCC1CCOC1c1ccccc1)c1ccncc1S
DelComponent,Remove a benzene ring from the molecule Cc1cccc(CS(=O)(=O)N(CC2CCCO2)c2ccccc2)c1.,Cc1cccc(CS(=O)(=O)NCC2CCCO2)c1
LogP,Please optimize the molecule CC1CCC(OCCC2CCCC2O)CC1 to have a higher LogP value.,CC1CCC(OCCC2CCCC2)CC1
MR,Please optimize the molecule CC(=CC(=O)N(C)C(C)c1cc2ccccc2o1)c1ccc(F)cc1 to have a lower MR value.,CC(F)=CC(=O)N(C)C(C)c1cc2ccccc2o1
QED,Optimize the molecule Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1Cl to have a higher QED value.,Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cl)CC2)cc1Cl
AtomNum,"There is a molecule with 7 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",CCC(CSC)NC(C)=O
BondNum,"The molecule is composed of 17 single bonds, 2 double bonds, and 12 rotatable bonds.",[NH3+]C(CCCCB(O)O)(CCC[NH2+]CC(=O)[O-])C(=O)[O-]
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",CCCCNC(=O)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)cc1
AddComponent,Add a hydroxyl to the molecule CNc1cc(C(=O)N2CCOC3CCCCC32)cc(C)n1.,CNc1cc(C(=O)N2CCOC3CCCCC32)cc(CO)n1
SubComponent,Modify the molecule halo by substituting a CC1CCN(C2(F)CN(C=O)C2)C(c2[nH+]cc3cnc4[nH]ccc4n23)C1 with a carboxyl.,CC1CCN(C2(C(=O)[OH])CN(C=O)C2)C(c2[nH+]cc3cnc4[nH]ccc4n23)C1
DelComponent,Remove a hydroxyl from the molecule COc1ccc(-c2cc(COC(=O)c3ccc(CO)cc3)on2)cc1.,COc1ccc(-c2cc(COC(=O)c3ccc(C)cc3)on2)cc1
LogP,Modify the molecule [NH3+]C1CN(C(=O)CNC(=O)CC2CCCCC2)CC1c1ccccc1 to have a lower LogP value.,[NH3+]C1CN(C(=O)CNC(=O)CC2CCCC(O)C2)CC1c1ccccc1
MR,Optimize the molecule CC(C)C1=CC(c2cc(C(C)C)cc(C(C)C)c2)=CC(C(C)C)C1(N)[NH3+] to have a higher MR value.,CC(C)C1=CC(c2cc(C(C)C)cc(C(C)(C)O)c2)=CC(C(C)C)C1(N)[NH3+]
QED,Modify the molecule CC(Oc1ccccc1Cl)C(=O)NC1COC1 to have a lower QED value.,CC(Oc1ccccc1)C(=O)NC1COC1
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 sulfur atom.",Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1cn2ccsc2[nH+]1
BondNum,"The molecule is composed of 10 single bonds, 6 rotatable bonds, and 16 aromatic bonds.",COc1cccc(CSc2nnc(-c3ccc(Br)o3)n2C(C)C)c1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 thioether group, and 1 sulfide group.",CCCSC(=S)N1CCC(c2ccccc2)CC1
AddComponent,Add a hydroxyl to the molecule Cc1ccc(C(C)C)cc1C(C)(C)C(=O)NN(C)C.,Cc1ccc(C(C)C)cc1C(C)(C)C(=O)NN(C)CO
SubComponent,Please substitute a Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)c(C)c1 in the molecule halo with a nitrile.,Cc1ccc(NC(=O)c2nc(-c3ccc(C#N)cc3)n(-c3cccc(Cl)c3C)n2)c(C)c1
DelComponent,Please remove a halo from the molecule CC1CC(C)C(C)N(c2ccc(C[NH3+])c(F)c2F)C1.,CC1CC(C)C(C)N(c2ccc(C[NH3+])c(F)c2)C1
LogP,Please modify the molecule [NH3+]CC(O)c1cncc2ccncc12 to decrease its LogP value.,Nc1ncc(C(O)C[NH3+])c2cnccc12
MR,Modify the molecule Cn1c(-c2ccc(-c3nccs3)cc2)c[nH+]c1C(Cc1ccccn1)N(C=O)c1cc2cc(Cl)ccc2o1 to decrease its MR value.,Cn1c(-c2ccc(-c3nccs3)cc2)c[nH+]c1C(Cc1ccccn1)N(C=O)c1cc2ccccc2o1
QED,Please modify the molecule COc1ccc(C(CC(=O)[O-])c2ncc(CCCCc3ccc4c(n3)NCCC4)s2)cc1F to decrease its QED value.,COc1ccc(C(CC(=O)[O-])c2ncc(CCCCc3ccc4c(n3)NCCC4)s2)cc1NO
AtomNum,"The molecule contains 15 carbon atoms, 2 nitrogen atoms, and 1 fluorine atom.",C[NH2+]C(Cc1ccc(C)cc1)c1cncc(F)c1
BondNum,"Please generate a molecule composed of 10 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CNC(=O)c1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1
FunctionalGroup,There is a molecule with and 1 ketone group.,COc1ccc2ncc(C(=O)c3ccccn3)cc2c1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(CC(NC(=O)C2CCCCC2)C(O)c2ccc(F)cc2)cc1.,COc1ccc(CC(NC(=O)C2CCCCC2)C(O)c2ccc(F)cc2)c(O)c1
SubComponent,Please substitute a halo in the molecule CCC(CC)CNS(=O)(=O)c1cc(N)c(C)c(F)c1 with a carboxyl.,CCC(CC)CNS(=O)(=O)c1cc(N)c(C)c(C(=O)[OH])c1
DelComponent,Remove a halo from the molecule Cc1ccc(C(=O)C(C)[NH3+])c(F)c1F.,Cc1ccc(C(=O)C(C)[NH3+])cc1F
LogP,Please optimize the molecule CCCC=CCCCCCCCCCC=CCCCCCCCC(O)(C[N+](C)(C)C)P(=O)([O-])[O-] to have a higher LogP value.,CCCC=CCCCCCCCCCC=CCCCCCCCC(C[N+](C)(C)C)P(=O)([O-])[O-]
MR,Please optimize the molecule CC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 to have a lower MR value.,CC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
QED,Optimize the molecule [NH3+]C1CCC=CCCCCCCC1 to have a higher QED value.,[NH3+]C1CCC=CCCCCC(c2ccccc2)CC1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCC([NH3+])CCCN1CCCCCCC1=O
BondNum,"The molecule consists of 7 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(Br)c1
FunctionalGroup,"The molecule has 2 benzene ring groups, and 1 amine group.",c1ccc(C(CCNCC[NH2+]C2CC3CCC2C3)c2ccccc2)cc1
AddComponent,Modify the molecule CC1C[NH+](C(CC(=O)[O-])C(C)(C)C)C1 by adding a benzene ring.,CC1C[NH+](C(CC(=O)[O-])C(C)(C)Cc2ccccc2)C1
SubComponent,Please substitute a Nc1cc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)ccc1Cl in the molecule halo with a aldehyde.,CC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1N
DelComponent,Remove a amide from the molecule CCOC(=O)c1c(NC(=O)c2sc3ncn(CC)c(=O)c3c2C)sc2c1CCCC2.,CCOC(=O)c1c(-c2(C)c3c(=O)n(CC)cnc3s-2)sc2c1CCCC2
LogP,Please modify the molecule OC(C1CC[NH+](Cc2cn[nH]c2-c2ccccc2)CC1)C(F)(F)F to decrease its LogP value.,OC(C(F)F)C1CC[NH+](Cc2cn[nH]c2-c2ccccc2)CC1
MR,Modify the molecule Nc1cc(Br)ccc1NCCCOc1ccccc1 to increase its MR value.,Nc1cc(Br)ccc1NCCCOc1cccc(-c2ccccc2)c1
QED,Please modify the molecule CC1CCCN1C(=O)C12CC1C(C)(c1cc(C=C(F)c3ccc(C#N)cn3)ccc1F)[NH+]=C(N)S2 to decrease its QED value.,CC1CCCN1C(=O)C12CC1C(C)(c1cc(C=C(F)c3ccc(C#N)c(-c4ccccc4)n3)ccc1F)[NH+]=C(N)S2
AtomNum,"The molecule contains 14 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COc1ccc(CNc2cc(N)nc(SC)n2)cc1OC
BondNum,"The molecule contains 19 single bonds, 1 triple bond, and 8 rotatable bonds.",CCNC(C)(C#N)CCCN1CC[NH+](CC(C)C)CC1
FunctionalGroup,There is a molecule composed of and 2 halo groups.,CCCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCCBr)Cc1cc(C(C)(C)C)cc(c1OCCCC)Cc1cc(C(C)(C)C)cc(c1OCCCBr)C2
AddComponent,Modify the molecule O=C(CCCc1ccc(Cl)cc1)Nc1cnn(CC(=O)NC2CCCC2)c1 by adding a aldehyde.,O=CCC1CCC(NC(=O)Cn2cc(NC(=O)CCCc3ccc(Cl)cc3)cn2)C1
SubComponent,Substitute a O=C([O-])CC1(CNC(=O)N(CCO)C2CC2)CCCCC1 in the molecule hydroxyl with a halo.,O=C([O-])CC1(CNC(=O)N(CCI)C2CC2)CCCCC1
DelComponent,Remove a benzene ring from the molecule COCC(N)CS(=O)c1ccccc1Cl.,COCC(N)CS(=O)Cl
LogP,Modify the molecule O=C(C=CC(=O)c1ccc(Br)cc1)NC1CCCC1 to decrease its LogP value.,O=C(C=CC(=O)c1ccc(C(=O)[OH])cc1)NC1CCCC1
MR,Modify the molecule Cc1cccc2c1CC[N+](C(=O)CCC(=O)[O-])(c1ccccc1Cl)C2c1ccccc1 to have a higher MR value.,Cc1cccc2c1CC[N+](C(=O)CCC(=O)[O-])(c1ccccc1NO)C2c1ccccc1
QED,Please optimize the molecule CCOC(=O)c1ccc(NC(=O)c2cnn3ccccc23)cc1 to have a higher QED value.,CCOC(=O)NC(=O)c1cnn2ccccc12
AtomNum,"There is a molecule with 17 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COC(=O)c1cncc(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1
BondNum,"The molecule contains 11 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1c(C2(C(=O)[O-])CC2)cc(F)cc1S(C)(=O)=O
FunctionalGroup,The molecule consists of and 1 halo group.,C[NH+](C)C1CCN(C2CCc3cccc(F)c32)C1
AddComponent,Add a hydroxyl to the molecule O=C(CN1C(=O)c2ccccc2C1=O)Nc1cnc(-n2ccnc2)nc1.,O=C(CN1C(=O)c2ccccc2C1=O)Nc1cnc(-n2ccnc2O)nc1
SubComponent,Modify the molecule Cn1ncc(CNc2cnn(CCO)c2)c1C(F)(F)F by substituting a halo with a aldehyde.,CC(=O)C(F)(F)c1c(CNc2cnn(CCO)c2)cnn1C
DelComponent,Modify the molecule hydroxyl by removing a Cn1cnc(C[NH+]2CCC3(CC2)Oc2c(O)cccc2C2OCCCC23)c1.,Cn1cnc(C[NH+]2CCC3(CC2)Oc2ccccc2C2OCCCC23)c1
LogP,Please optimize the molecule Cc1cc(C)c2onc(CC(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)c2c1 to have a lower LogP value.,Cc1cc(C)c2onc(CC(=O)NC(=O)N3CC[NH+](C)CC3)c2c1
MR,Modify the molecule CC(=O)NC(Cc1ccccc1)C(=O)NC1CC(=O)NCCCCC(C(N)=O)NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC1=O to decrease its MR value.,CC(=O)NC(Cc1ccccc1)C(=O)NC1CC(=O)NCCCCC(C(N)=O)NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC[NH+]=C(N)N)N(Cc2ccccc2)C(=O)C(Cc2cnc[nH]2)NC1=O
QED,Optimize the molecule N#Cc1cccc(NC(=O)Nc2cccc3ccoc23)c1 to have a lower QED value.,ONc1cccc(NC(=O)Nc2cccc3ccoc23)c1
AtomNum,"Please generate a molecule consisting 30 carbon atoms, 7 oxygen atoms, and 1 nitrogen atom.",CCCCOc1ccc(C2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccccc2C(=O)OC)cc1
BondNum,"The molecule has 12 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CCC1CN(S(=O)(=O)c2ccc(F)c(N)c2)CCO1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, 1 nitro group, and 7 halo groups.",Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3cc(Oc4cccc(C(F)(F)F)c4)cc([N+](=O)[O-])c3)c(Br)c2n1
AddComponent,Please add a carboxyl to the molecule CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1.,CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C(=O)O)cc1
SubComponent,Substitute a halo in the molecule COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4c5ccc(F)cc5CCC4C)c(C)c32)c1 with a aldehyde.,CC(=O)c1ccc2c(c1)CCC(C)N2C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(OC)c1)CCC2
DelComponent,Remove a amide from the molecule C=Cc1cccc(C(C(=O)NC(C)CCC)N(C(=O)C(CCSC)NC(=O)OC(C)(C)C)C(C)CC)c1.,C=Cc1cccc(C(C)(CCC)N(C(=O)C(CCSC)NC(=O)OC(C)(C)C)C(C)CC)c1
LogP,Modify the molecule CCC(NN1CCCC1COC)c1cc2ccccc2o1 to decrease its LogP value.,COCC1CCCN1NC(CCO)c1cc2ccccc2o1
MR,Modify the molecule OC1C2CCC3CCCC31CC2 to have a higher MR value.,N#CC1C2CCC3CCCC31CC2
QED,Please modify the molecule CCOC1CC(N(C)C(=O)Nc2cc3[nH]ccc3cc2C)C12CCCC2 to decrease its QED value.,CCOC1CC(N(CO)C(=O)Nc2cc3[nH]ccc3cc2C)C12CCCC2
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cc1cccc(-n2nc(C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)c([O-])cc2=O)c1
BondNum,"Please generate a molecule consisting 11 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",CC(Oc1cc(-c2ccc(P(C)(=O)[O-])cc2)cnc1N)c1cc(F)ccc1Cl
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ester group, and 1 sulfone group.",CCOc1ccccc1COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
AddComponent,Add a hydroxyl to the molecule C[NH+]1CC(NC(=O)c2ccc(F)c(-c3ccc(NCCC(F)Cc4ncccc4F)nn3)c2)C1.,C[NH+]1CC(NC(=O)c2cc(-c3ccc(NCCC(F)Cc4ncccc4F)nn3)c(F)cc2O)C1
SubComponent,Substitute a halo in the molecule CCn1nc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c(=O)c2cc(F)ccc21 with a aldehyde.,CC(=O)c1cccc(C[NH+]2CCN(C(=O)c3nn(CC)c4ccc(F)cc4c3=O)CC2)c1
DelComponent,Please remove a CCc1ccc(C(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)C(C)C)cc1 from the molecule benzene ring.,CCC(NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)C(C)C
LogP,Please modify the molecule Cc1cc(C(=O)NC2CCN(C(=O)CCOc3ccccc3)CC2)no1 to decrease its LogP value.,Cc1cc(C(=O)NC2CCN(C(=O)CCOc3ccccc3O)CC2)no1
MR,Optimize the molecule Nc1ncc(Cl)cc1C(=O)c1nccc2ccccc12 to have a lower MR value.,Nc1ncccc1C(=O)c1nccc2ccccc12
QED,Modify the molecule COc1ccc(Cl)cc1C1[NH2+]Cc2ccccc21 to have a lower QED value.,COc1ccccc1C1[NH2+]Cc2ccccc21
AtomNum,"There is a molecule composed of 16 carbon atoms, and 4 nitrogen atoms.",CCCNc1cc(NCC2(C)CC2)nc(C(C)(C)C)n1
BondNum,"Please generate a molecule consisting 24 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C(=O)N2CCCC(C(=O)NCC3(c4ccc5c(c4)OCO5)CCOCC3)C2)cc1
FunctionalGroup,The molecule has and 1 benzene ring group.,CC(C)CCCOc1cccc(C[NH3+])c1
AddComponent,Please add a benzene ring to the molecule COc1ccccc1C(=O)N1Cc2ccccc2CC1C(=O)[O-].,COc1ccccc1C(=O)N1Cc2cc(-c3ccccc3)ccc2CC1C(=O)[O-]
SubComponent,Modify the molecule O=C(CCC1CC1)c1ccc(CBr)cc1 by substituting a halo with a nitro.,ONCc1ccc(C(=O)CCC2CC2)cc1
DelComponent,Please remove a C=C1c2ccccc2C(=O)N1CC(=O)OCc1cc(=O)oc2cc(NC(C)=O)ccc12 from the molecule amide.,C=C1c2ccccc2C(=O)N1CC(=O)OCc1cc(=O)oc2ccccc12
LogP,Please modify the molecule O=C(NNC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccc(Br)cc1 to decrease its LogP value.,ONc1ccc(C(=O)NNC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
MR,Modify the molecule CCNc1ncc(COc2c(F)cccc2[N+](=O)[O-])s1 to increase its MR value.,CCNc1ncc(COc2ccccc2[N+](=O)[O-])s1
QED,Modify the molecule CCCCCn1ccc(OCC(O)CN2CC[NH2+]CC2)n1 to increase its QED value.,CCCCCn1ccc(OCC(F)CN2CC[NH2+]CC2)n1
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)COc1cccc(C)c1
BondNum,"Please generate a molecule composed of 10 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",Cc1noc(N2CCCC(C[NH3+])C2)n1
FunctionalGroup,"The molecule is composed of 1 ester group, 1 amine group, 1 thioether group, and 2 sulfide groups.",CCOC(=O)c1sc2c3c(oc(=O)c2c1N)-c1ccccc1SC3
AddComponent,Please add a hydroxyl to the molecule CCC(CC)C([NH3+])CNc1ccc(F)cn1.,CCC(CC)C([NH3+])CNc1ncc(F)cc1O
SubComponent,Modify the molecule O=C(CC(=O)Sc1ccccc1)OCCCCCCCCCCCCO by substituting a hydroxyl with a aldehyde.,CC(=O)CCCCCCCCCCCCOC(=O)CC(=O)Sc1ccccc1
DelComponent,Remove a benzene ring from the molecule [NH3+]C(CO)c1nnc(COc2ccc(F)cc2)o1.,[NH3+]C(CO)c1nnc(COF)o1
LogP,Please optimize the molecule C=CC(=CC=C(C)OC)CO to have a higher LogP value.,C=CC(C)=CC=C(C)OC
MR,Modify the molecule CC(C)(C)OC(=O)NC1CCOCCOCCCCC(C(=O)C(N)=O)NC(=O)C2C3CC(C)(C)OC3CN2C1=O to have a lower MR value.,CC(C)(C)OC(=O)NC12C(=O)NC(C(=O)C(N)=O)CCCCOCCOCCC1C1OC(C)(C)CC12
QED,Please modify the molecule CCC(Sc1cccc(NC(=O)C(=Cc2ccc(C)cc2)NC(=O)c2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2 to decrease its QED value.,CCC(Sc1cccc(NC(=O)C(=Cc2ccc(C)cc2)NC(=O)c2ccccc2)c1)C(=O)Nc1sc2c(c1NO)CCN(C(C)=O)C2
AtomNum,"The molecule consists of 11 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=S(=O)(C1CC[NH2+]CC1)N1CCCCCC1
BondNum,"The molecule contains 13 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",O=Cc1ccc(C(=O)NCC2CC(O)C[NH+]2Cc2ccccc2)[nH]1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 2 halo groups.",O=C([O-])C1CCCCN1C(=O)c1cc(Cl)ccc1I
AddComponent,Modify the molecule Cc1ccc(NC2CCCc3sccc32)cc1C(F)(F)F by adding a hydroxyl.,Cc1ccc(NC2CCCc3sc(O)cc32)cc1C(F)(F)F
SubComponent,Please substitute a halo in the molecule CC([NH2+]C(C)c1ccc(Cl)cc1Cl)c1ccc(F)c(Cl)c1 with a nitrile.,CC([NH2+]C(C)c1ccc(C#N)cc1Cl)c1ccc(F)c(Cl)c1
DelComponent,Remove a Cc1cccc(NC2CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC2)c1 from the molecule amine.,Cc1cccc(C2CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC2)c1
LogP,Optimize the molecule CCC(C)(C)NC(=O)c1cnc(-c2ccccc2Cl)s1 to have a lower LogP value.,CCC(C)(C)NC(=O)c1cnc(-c2ccccc2S)s1
MR,Please modify the molecule [NH3+]Cc1cccc(N2CC3CC2CS3(=O)=O)c1 to decrease its MR value.,[NH3+]CN1CC2CC1CS2(=O)=O
QED,Modify the molecule C[NH2+]C(Cc1cccs1)c1ccc2nccnc2c1 to decrease its QED value.,C[NH2+]C(Cc1sccc1-c1ccccc1)c1ccc2nccnc2c1
AtomNum,"The molecule has 22 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)cc21
BondNum,"There is a molecule with 8 single bonds, 3 double bonds, 1 triple bond, 5 rotatable bonds, and 22 aromatic bonds.",Cc1ccc(S(=O)(=O)NN=C(C#Cc2ccccc2)Cn2nnc3ccccc32)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 1 ketone group, and 1 nitro group.",CC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)c1cccc([N+](=O)[O-])c1
AddComponent,Modify the molecule O=C(CCC1CCCC[NH2+]1)NCCc1cnc[nH]1 by adding a benzene ring.,O=C(CCC1CCCC[NH2+]1)NCCc1cnc(-c2ccccc2)[nH]1
SubComponent,Please substitute a halo in the molecule O=C([O-])C=Cc1cccc(F)c1OCc1cccc(Cl)c1 with a aldehyde.,CC(=O)c1cccc(C=CC(=O)[O-])c1OCc1cccc(Cl)c1
DelComponent,Remove a CC(=O)N(c1ccccc1)c1nc(C=CC(=O)Nc2ccccc2-c2ccccc2)cs1 from the molecule benzene ring.,CC(=O)Nc1nc(C=CC(=O)Nc2ccccc2-c2ccccc2)cs1
LogP,Please modify the molecule CN(Cc1ccc(C#N)cc1)c1ncc(C(N)=O)cc1Cl to decrease its LogP value.,CC(=O)c1cc(C(N)=O)cnc1N(C)Cc1ccc(C#N)cc1
MR,Optimize the molecule C=CCCC(O)C[NH+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 to have a lower MR value.,C=CCCCC[NH+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1
QED,Modify the molecule Cc1cc(C)cc(-c2[nH]nc(OCC(C)(C)C(=O)N3CCCC3)c2CC[NH2+]CCCCc2ccncc2)c1 to have a lower QED value.,Cc1cc(C)cc(-c2[nH]nc(OCCCC3CCC3)c2CC[NH2+]CCCCc2ccncc2)c1
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCOC(=O)c1c(NC(=O)CNc2ccc(Cl)cc2C)sc2c1CCCC2
BondNum,"The molecule contains 7 single bonds, 2 double bonds, 5 rotatable bonds, and 27 aromatic bonds.",O=C(NN=Cc1ccc(Cl)cc1)c1cc(-c2cc3ccccc3o2)nn1-c1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amide groups, and 1 sulfide group.",O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O)NCc1cccs1
AddComponent,Modify the molecule Cc1ncc2c(c1CNC(=O)c1ccsc1)CCN(C(=O)c1[nH]c3ccc(Cl)cc3c1C)C2 by adding a amine.,Cc1ncc2c(c1CNC(=O)c1ccsc1)CC(N)N(C(=O)c1[nH]c3ccc(Cl)cc3c1C)C2
SubComponent,Modify the molecule CCC(=O)Nc1cccc(Cl)c1COc1ccc(C)cc1Br by substituting a halo with a nitrile.,CCC(=O)Nc1cccc(C#N)c1COc1ccc(C)cc1Br
DelComponent,Modify the molecule amide by removing a COc1cc(NC(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc(OC)c1OC.,COc1cc(NC(=O)N2CCC(C(=O)S)CC2)cc(OC)c1OC
LogP,Modify the molecule O=C(NCc1ccccc1)c1ccccc1N=c1ssnc1Cl to have a lower LogP value.,CC(=O)c1nssc1=Nc1ccccc1C(=O)NCc1ccccc1
MR,Optimize the molecule C=CCOc1cccc(NC(=O)CNc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 to have a higher MR value.,C=CCOc1cccc(NC(=O)CNc2cccc(C(=O)Nc3cccc(C(F)(F)C#N)c3)c2)c1
QED,Please optimize the molecule Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c(C)c1 to have a lower QED value.,Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)C(O)CC3)c(C)c1
AtomNum,"The molecule consists of 11 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 3 fluorine atoms, and 1 bromine atom.",FC(F)(F)c1cc(Br)cnc1OCC1CCC[NH2+]1
BondNum,"Please generate a molecule with 7 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(CCC(=O)[O-])c(O)c1C
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",C[NH+](C)Cc1ccccc1CNC(=O)C1([NH3+])CC1
AddComponent,Modify the molecule Cc1ccccc1C1CC(O)C(O)C1NC(=O)C1CCOCC1 by adding a hydroxyl.,Cc1ccccc1C1CC(O)C(O)C1NC(=O)C1(O)CCOCC1
SubComponent,Modify the molecule CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCC(O)C2)cc1 by substituting a hydroxyl with a aldehyde.,CC(=O)C1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)C1
DelComponent,Modify the molecule benzene ring by removing a CCCCc1ccc(N2C(=O)C(O)=C(c3cccc(OCC(C)C)c3)C2c2cc(Cl)c(OC)c(OC)c2)cc1.,CCCCc1ccc(N2C(=O)C(O)=C(OCC(C)C)C2c2cc(Cl)c(OC)c(OC)c2)cc1
LogP,Please modify the molecule COc1cc(OC(F)(F)F)ccc1Oc1cc(C(F)(F)F)ncc1C(=O)Nc1ccc(F)c(C(N)=O)c1 to decrease its LogP value.,COc1cc(OC(F)(F)NO)ccc1Oc1cc(C(F)(F)F)ncc1C(=O)Nc1ccc(F)c(C(N)=O)c1
MR,Optimize the molecule CN(C)C(=O)c1ccc(N)c(NC2CC[NH+](C)C2)c1 to have a higher MR value.,CN(C)C(=O)c1ccc(N)c(NC2C[NH+](C)CC2O)c1
QED,Please optimize the molecule NNC(c1occc1Br)c1sccc1Cl to have a lower QED value.,NNC(c1cccs1)c1occc1Br
AtomNum,"Please generate a molecule consisting 32 carbon atoms, 5 oxygen atoms, and 5 nitrogen atoms.",CCc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)CC2)cc1
BondNum,"Please generate a molecule with 15 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(NC(C)C(=O)NC(=O)NC2CCCC2)cc1C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, 1 ester group, and 3 amide groups.",C=CCCC(=O)NCC(OC(=O)C1C2CCC3(O2)C1C(=O)N(C(CO)C(C)C)C3C(=O)N(CC=C)c1ccc2ccccc2c1)c1ccccc1
AddComponent,Modify the molecule CCn1c(Cn2cncn2)nnc1C1CC[NH+](Cc2cccnc2N)CC1 by adding a carboxyl.,CC(C(=O)O)n1c(Cn2cncn2)nnc1C1CC[NH+](Cc2cccnc2N)CC1
SubComponent,Substitute a halo in the molecule OC(Cc1nc(-c2cccc(Br)c2)no1)C1CCCC1 with a hydroxyl.,Oc1cccc(-c2noc(CC(O)C3CCCC3)n2)c1
DelComponent,Please remove a benzene ring from the molecule NC(=O)C(CC(O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2nc1F)C1CCCCC1.,CC(NC(=O)c1cc2ccccc2nc1F)C(O)CC(C(N)=O)C1CCCCC1
LogP,Modify the molecule CCOCCc1nc(NC)c(I)c(C(C)(C)C)n1 to have a lower LogP value.,CCOCCc1nc(NC)cc(C(C)(C)C)n1
MR,Please modify the molecule O=C(CNC1CCS(=O)(=O)C1)OCc1cccc(Br)c1 to decrease its MR value.,O=C(CNC1CCS(=O)(=O)C1)OCc1cccc(O)c1
QED,Modify the molecule Cc1ccccc1NC(=O)CSc1nc(-c2cccc(Cl)c2)nc2cc(=O)[nH]n12 to have a higher QED value.,Cc1ccccc1Sc1nc(-c2cccc(Cl)c2)nc2cc(=O)[nH]n12
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 chlorine atoms.",Cc1ccccc1OCC(=O)NCC(=O)OCc1ccc(Cl)c(Cl)c1
BondNum,"There is a molecule composed of 29 single bonds, 3 double bonds, 11 rotatable bonds, and 23 aromatic bonds.",Cc1nc(C(=O)NC2CC[NH+](C)CC2)ccc1-c1ccc(CC(NC(=O)C2CCC(C[NH3+])CC2)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1
FunctionalGroup,The molecule has and 1 benzene ring group.,COc1cccc2c1CCN(C(=O)NC(c1ccccc1)C1CCCO1)C2
AddComponent,Add a amine to the molecule CCCCCCCCCCCCCCCCCCCCCCCCCC[NH2+]C(COC1OC(COC(=O)Nc2ccc(C(C)(C)C)cc2)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC.,CCCCCCCCCCCCCCCCCCCCCCCCCC[NH2+]C(COC1OC(COC(=O)Nc2ccc(C(C)(C)C)cc2)C(O)C(O)C1O)C(O)C(O)CCCCCCCC(N)CCCCCC
SubComponent,Please substitute a hydroxyl in the molecule CC(CCc1ccc(O)cc1)[NH2+]CC1(C)OCCO1 with a thiol.,CC(CCc1ccc(S)cc1)[NH2+]CC1(C)OCCO1
DelComponent,Please remove a benzene ring from the molecule O=S(=O)(OS1(C(F)(F)F)C(c2ccc(Cl)cc2)=Cc2ccccc21)C(F)(F)F.,O=S(=O)(OS1(C(F)(F)F)C(Cl)=Cc2ccccc21)C(F)(F)F
LogP,Please modify the molecule Fc1ccc(C[NH2+]CCOc2cccc(C(F)(F)F)c2)cc1 to decrease its LogP value.,Fc1ccc(C[NH2+]CCOc2cccc(C(F)F)c2)cc1
MR,Modify the molecule COc1ccc(-c2c(C#N)nnn2C(C)C)cc1 to have a higher MR value.,COc1ccc(-c2c(S)nnn2C(C)C)cc1
QED,Modify the molecule NC(=O)CCCCSc1ncnc(NC(N)=[NH+]CC(F)(F)F)n1 to decrease its QED value.,NC(=O)CCCCSc1ncnc(NC(N)=[NH+]CC(F)F)n1
AtomNum,"There is a molecule composed of 20 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC[NH2+]CC1CCN(C(=O)C2(C)CCCc3ccccc32)CC1
BondNum,"Please generate a molecule with 30 single bonds, 3 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CCOC(=O)N(Cc1ccccc1)CC1(O)CCC2c3ccc(cc3C(=O)c3ccc(OC)cc3)CC(O)CCC(C)=CCCC21C
FunctionalGroup,"The molecule consists of 1 halo group, and 1 sulfide group.",Cc1sc2ccc(Cl)c3c2c1C[NH+](C)CC3
AddComponent,Modify the molecule CCOc1ccc(-c2cccc(S(=O)(=O)Cl)c2)cc1 by adding a benzene ring.,CCOc1ccc(-c2cccc(S(=O)(=O)Cl)c2)cc1-c1ccccc1
SubComponent,Substitute a CCOC(=O)CN(CCOC)C(=O)c1cc(Br)cn1CC in the molecule halo with a nitro.,CCOC(=O)CN(CCOC)C(=O)c1cc(NO)cn1CC
DelComponent,Please remove a CCC(CC(=O)[O-])NS(=O)(=O)c1ccccc1 from the molecule amine.,CCC(CC(=O)[O-])S(=O)(=O)c1ccccc1
LogP,Optimize the molecule NC(=O)c1ccc(C(F)(F)F)nc1Oc1ccccc1Cl to have a lower LogP value.,NC(=O)c1ccc(C(F)(F)F)nc1Oc1ccccc1
MR,Modify the molecule CC(=O)CCN1CC(=O)N(C2CC2)C1=O to decrease its MR value.,CC(=O)CCN(C=O)C1CC1
QED,Please modify the molecule COCCCOc1ccc(Cl)cc1CN1CCc2c(OC(=O)[O-])cccc21 to increase its QED value.,COCCCOc1ccc(O)cc1CN1CCc2c(OC(=O)[O-])cccc21
AtomNum,"The molecule consists of 25 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCCCCCCCCCCCc1ccccc1C(Sc1[nH+]cc(NC=O)n1C)C(=O)[O-]
BondNum,"Please generate a molecule consisting 10 single bonds, 2 double bonds, 7 rotatable bonds, and 22 aromatic bonds.",Cc1c(C=NNC(=O)COc2ccccc2)c2ccccc2n1Cc1ccccc1Cl
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 halo group.",CCC1CCCCN1c1cc(Cl)ccc1C=CC(=O)[O-]
AddComponent,Modify the molecule COc1cccc(OC)c1C([O-])=C1C(=O)C(=O)N(c2ccc(C#N)cc2)C1c1cccc(O)c1 by adding a benzene ring.,COc1cccc(OCc2ccccc2)c1C([O-])=C1C(=O)C(=O)N(c2ccc(C#N)cc2)C1c1cccc(O)c1
SubComponent,Please substitute a CC(NS(=O)(=O)c1ccc(C#N)s1)c1cccs1 in the molecule nitrile with a halo.,CC(NS(=O)(=O)c1ccc(Br)s1)c1cccs1
DelComponent,Please remove a benzene ring from the molecule CC(C)N(c1ccccc1)P(=O)(OCCCOC(=O)OCc1ccccc1)OCCCOC(=O)OCc1ccccc1.,COC(=O)OCCCOP(=O)(OCCCOC(=O)OCc1ccccc1)N(c1ccccc1)C(C)C
LogP,Please optimize the molecule CC1(C)C2CCC(C[NH2+]CCNCC[NH+]3CCOCC3)C1C2 to have a higher LogP value.,CC1(C)C2CCC(C[NH2+]CCCC[NH+]3CCOCC3)C1C2
MR,Modify the molecule CCn1ncc(Cl)c1CN(C)C(=O)c1ccc(COc2ccc(OC)cc2)cc1 to have a lower MR value.,CCn1nccc1CN(C)C(=O)c1ccc(COc2ccc(OC)cc2)cc1
QED,Please modify the molecule CNC(=O)c1ccc(NCC(=O)Nc2ccc(F)cc2)cc1 to decrease its QED value.,CNC(=O)c1ccc(NCC(=O)Nc2ccc(NO)cc2)cc1
AtomNum,"There is a molecule composed of 18 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 fluorine atom.",CC[NH2+]Cc1cc(F)ccc1-c1cc(C)c(OC)cc1C
BondNum,"The molecule contains 15 single bonds, 2 double bonds, 7 rotatable bonds, and 5 aromatic bonds.",COC1CC(NS(=O)(=O)c2c[nH]c(C[NH2+]C3CC3)c2)C1
FunctionalGroup,The molecule has and 1 nitro group.,O=[N+]([O-])c1cn(Cc2nc(-c3ccco3)no2)cn1
AddComponent,Add a hydroxyl to the molecule C[N+](C)(C)C(Cc1ccccc1)C(=O)OCCCCCCCCOc1ccc(OC(=O)c2ccc(S(N)(=O)=O)cc2)cc1.,C[N+](C)(CO)C(Cc1ccccc1)C(=O)OCCCCCCCCOc1ccc(OC(=O)c2ccc(S(N)(=O)=O)cc2)cc1
SubComponent,Please substitute a O=C(NC1CCCCCC1CO)c1cccc(F)c1F in the molecule halo with a nitro.,ONc1cccc(C(=O)NC2CCCCCC2CO)c1F
DelComponent,Modify the molecule benzene ring by removing a C=CCCCCC(CN(C=O)OCc1ccccc1)C(=O)[O-].,C=CCCCCC(CN(C=O)OC)C(=O)[O-]
LogP,Please optimize the molecule COc1ccc(N(CCc2cccnc2)c2cccc(C(=O)[O-])c2)cc1OC1CCCC1 to have a lower LogP value.,COc1ccc(N(CCc2cccnc2)c2cc(C(=O)[O-])ccc2O)cc1OC1CCCC1
MR,Modify the molecule CCC(C(N)=S)S(=O)(=O)NCc1ccc(C(F)(F)F)cc1 to have a higher MR value.,CCC(C(N)=S)S(=O)(=O)NCc1ccc(C(O)(F)F)cc1
QED,Please modify the molecule O=[P+](c1ccc2sc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3c2c1)C(c1ccccc1)c1ccccc1 to increase its QED value.,O=[P+](c1ccc2sc3ccc([PH](=O)c4ccccc4)cc3c2c1)C(c1ccccc1)c1ccccc1
AtomNum,"The molecule contains 14 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CCC[NH2+]C(c1ncccn1)c1c(OC)cnn1CC
BondNum,"The molecule has 13 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",O=C(CCN=C1NS(=O)(=O)c2ccccc21)NCCSc1ccc(Cl)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 aldehyde group, 1 amine group, and 1 halo group.",Cc1ccc(-c2nn(-c3ccc(Br)cc3)c(N)c2C=O)cc1
AddComponent,Add a carboxyl to the molecule CCC(CC[NH+]1CCCCC1)COc1cccc(-c2ccccc2)c1.,CCC(CC[NH+]1CCCC(C(=O)O)C1)COc1cccc(-c2ccccc2)c1
SubComponent,Substitute a Clc1ccc2[nH]c3c(c2c1)CCCC3Nc1ncccn1 in the molecule halo with a hydroxyl.,Oc1ccc2[nH]c3c(c2c1)CCCC3Nc1ncccn1
DelComponent,Please remove a hydroxyl from the molecule COC(=O)c1sc(Br)cc1N(CC1CCC(C)CC1)C1CCC(O)CC1.,COC(=O)c1sc(Br)cc1N(CC1CCC(C)CC1)C1CCCCC1
LogP,Modify the molecule COc1ccc(S(=O)(=O)c2cc3c(cc2F)C(C)(C)CN3[Si](C(C)C)(C(C)C)C(C)C)cc1 to decrease its LogP value.,COc1ccc(S(=O)(=O)c2ccc3c(c2)N([Si](C(C)C)(C(C)C)C(C)C)CC3(C)C)cc1
MR,Modify the molecule CCCC1CCC(C2CCC(OC(=O)OC(F)(F)F)CC2)CC1 to increase its MR value.,CCCC1CCC(C2CCC(OC(=O)OC(F)(F)S)CC2)CC1
QED,Optimize the molecule CC[NH+](CC)CCOc1ccc(N(C(=O)c2ccccc2)c2ccc(Br)cc2)cc1 to have a higher QED value.,CC[NH+](CC)CCOc1ccc(N(C(=O)c2ccccc2)c2ccc(C(=O)[OH])cc2)cc1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COC(=O)c1ccc(NC(=O)NC2CCCO2)cc1
BondNum,"There is a molecule consisting of 8 single bonds, 1 double bond, 2 rotatable bonds, and 18 aromatic bonds.",O=[N+]([O-])c1cccc2c1N(c1ccccc1Br)c1ccccc1S2
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 3 amide groups.",COc1ccccc1OCC(=O)N1CC2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)OC2C1
AddComponent,Please add a benzene ring to the molecule CC1OCCC1C(O)c1ccc(Cl)c2ccccc12.,CC1OCCC1C(O)c1ccc(Cl)c2cccc(-c3ccccc3)c12
SubComponent,Modify the molecule halo by substituting a CN1C(=O)N(CCCBr)C2(CCN(C(=O)[O-])CC2)C1=O with a nitrile.,CN1C(=O)N(CCCC#N)C2(CCN(C(=O)[O-])CC2)C1=O
DelComponent,Please remove a CC(C)Cn1c(SCc2ccccc2)nnc1N1CCOCC1 from the molecule benzene ring.,CSc1nnc(N2CCOCC2)n1CC(C)C
LogP,Modify the molecule [NH3+]C1c2ccccc2C(C=NN2CCS(=O)(=O)CC2)CC1(CC(=O)[O-])C(=O)c1ccccc1 to decrease its LogP value.,[NH3+]C1c2ccccc2C(C=NN2CCS(=O)(=O)CC2)CC1(C=O)CC(=O)[O-]
MR,Optimize the molecule NC(=O)C[NH2+]Cc1csc(C(=O)[O-])n1 to have a lower MR value.,[NH2+]Cc1csc(C(=O)[O-])n1
QED,Modify the molecule Nc1c(NCc2ccco2)ncnc1NNC(=O)c1ccc(Br)cc1 to have a lower QED value.,Nc1c(NCc2ccco2)ncnc1NNC(=O)c1ccc(O)cc1
AtomNum,"There is a molecule with 15 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cc(=O)n(-c2ccc3ncsc3c2)c(C)c1C(=O)[O-]
BondNum,"The molecule has 15 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",[NH3+]CCCOC1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 1 amide group.",CC(=O)Nc1ccc(C[NH+]2CCC(CCc3ccccc3)(C3C=CCO3)C2)cc1
AddComponent,Please add a hydroxyl to the molecule CC(C)c1cc(CC2CCCC[NH2+]2)c(O)c(C(F)F)c1.,CC(C)c1cc(CC2CCCC(O)[NH2+]2)c(O)c(C(F)F)c1
SubComponent,Please substitute a nitrile in the molecule CCCOc1cccc(C#N)c1N with a nitro.,CCCOc1cccc(NO)c1N
DelComponent,Modify the molecule nitro by removing a CCn1nccc1-c1nc(N)ccc1[N+](=O)[O-].,CCn1nccc1-c1(O)nc(N)cc-1[O-]
LogP,Please optimize the molecule CC(=O)CCNC(=O)CCc1ccc(NC(=O)CCOCCOCCNC(=O)CCN2C(=O)CC(C)(C)C2=O)cc1 to have a higher LogP value.,CC(=O)CCNC(=O)CCc1ccc(NC(=O)CCOCCOCCNC(=O)CCC(=O)C(C)C)cc1
MR,Modify the molecule Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2-c2ccc(F)cc2)c1 to increase its MR value.,Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2-c2ccc(O)cc2)c1
QED,Modify the molecule CC(C)c1ccccc1-n1c(SCC(=O)NCCC2=CCCCC2)nc2ccccc2c1=O to have a lower QED value.,CC(C)c1ccccc1-n1c(SCC(=O)NCCC2=CCC(C(=O)O)CC2)nc2ccccc2c1=O
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CN(CC(=O)N1CCC[NH+](Cc2ccsc2)CC1)S(=O)(=O)c1ccccc1
BondNum,"There is a molecule composed of 16 single bonds, 1 double bond, and 6 rotatable bonds.",CCC1(C(=O)NCCCC(C)C)CCC[NH2+]C1
FunctionalGroup,There is a molecule consisting of and 1 amide group.,Cn1nc(C(=O)Nc2ccc3oc(=O)ccc3c2)ccc1=O
AddComponent,Add a thiol to the molecule C=CC[NH2+]CC(=O)NCc1ccsc1.,C=CC[NH2+]CC(=O)NC(S)c1ccsc1
SubComponent,Please substitute a Cc1cc(I)ccc1N1C(=O)C(Cl)=C(c2cccs2)C1=O in the molecule halo with a thiol.,Cc1cc(S)ccc1N1C(=O)C(Cl)=C(c2cccs2)C1=O
DelComponent,Please remove a Cc1cc(C)cc(C[NH2+]C2CCCC(CO)C2)c1 from the molecule hydroxyl.,Cc1cc(C)cc(C[NH2+]C2CCCC(C)C2)c1
LogP,Modify the molecule CCc1c(NC)ncnc1NCCCCC(C)C to increase its LogP value.,CCc1c(NCCCCC(C)C)ncnc1NCc1ccccc1
MR,Optimize the molecule CCOc1cccc2c1OC(c1cccc(F)c1)N1N=C(c3ccc(F)cc3)CC21 to have a higher MR value.,CCOc1cccc2c1OC(c1cccc(S)c1)N1N=C(c3ccc(F)cc3)CC21
QED,Optimize the molecule CN(Cc1ccncc1)C(C[NH3+])CO to have a higher QED value.,CC(=O)CC(C[NH3+])N(C)Cc1ccncc1
AtomNum,"The molecule consists of 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CC(C)C([NH2+]C1C(=O)Nc2ccc(Br)cc21)c1cccs1
BondNum,"Please generate a molecule consisting 8 single bonds, 1 double bond, 5 rotatable bonds, and 23 aromatic bonds.",CCn1c(-c2cc(C)ccc2C)csc1=Nc1ccc(Oc2ccccc2)cc1
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,O=C([O-])c1ccccc1N1CC2(CC2)OC1=O
AddComponent,Modify the molecule CCN1NC(c2ccccc2)[NH2+]N(CC)C1=O by adding a benzene ring.,CCN1NC(c2ccccc2-c2ccccc2)[NH2+]N(CC)C1=O
SubComponent,Modify the molecule hydroxyl by substituting a CC(O)C(C)OC(C[NH3+])c1ccccc1C1CC1 with a carboxyl.,CC(OC(C[NH3+])c1ccccc1C1CC1)C(C)C(=O)[OH]
DelComponent,Remove a amide from the molecule CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)cc2)c2ccccc2n1.,Cn1c2ccccc2c(Oc2ccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)cc2)c-1
LogP,Please optimize the molecule Cl[Si](Cl)(C12CCC(CC1)C2)C12CCC(CC1)C2 to have a lower LogP value.,Cl[Si](C12CCC(CC1)C2)C12CCC(CC1)C2
MR,Please modify the molecule COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1nnc(-c2csc(C)c2C)n1C(C)C to increase its MR value.,COC(=O)c1c(-c2ccc(C(=O)[OH])cc2)csc1NC(=O)CSc1nnc(-c2csc(C)c2C)n1C(C)C
QED,Please optimize the molecule O=C(Cc1ccsc1)CC1CC[NH2+]CC1 to have a higher QED value.,O=C(Cc1ccsc1)CC1CC[NH2+]C(c2ccccc2)C1
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",Cc1cc(Br)cc(NCCc2scnc2C)c1
BondNum,"Please generate a molecule with 15 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",O=C(CCc1nc(-c2ccncc2)no1)NC1CCCCCC1CO
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",Cc1ccc(CCCC(=O)NC2CCCN(C=O)C2)cc1Nc1ccc(F)cn1
AddComponent,Modify the molecule COc1ccc(Cl)cc1N1CCC(NC(=O)c2ccc(C)c(C)c2)C1 by adding a amine.,COc1ccc(Cl)cc1N1CCC(NC(=O)c2cc(C)c(C)cc2N)C1
SubComponent,Please substitute a halo in the molecule C[NH2+]C(CC1CCS(=O)(=O)C1)c1cc(F)cc(F)c1 with a nitrile.,C[NH2+]C(CC1CCS(=O)(=O)C1)c1cc(F)cc(C#N)c1
DelComponent,Please remove a benzene ring from the molecule COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)n1C.,COC(=O)c1ccc(S(=O)(=O)NN(Cl)S(=O)(=O)c2cc3ccccc3o2)n1C
LogP,Please optimize the molecule Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3cccc([N+](=O)[O-])c3)C2c2ccccc2F)cc1 to have a lower LogP value.,Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3cccc([N+](=O)[O-])c3)C2F)cc1
MR,Please modify the molecule O=C(CSc1ncccn1)NCCSCc1ccc(Cl)cc1 to decrease its MR value.,O=C(CSc1ncccn1)NCCSCc1ccccc1
QED,Please modify the molecule Cc1noc(C)c1C(C)CNC(=O)CC(O)c1ccc(Cl)cc1 to decrease its QED value.,Cc1noc(C)c1C(CNC(=O)CC(O)c1ccc(Cl)cc1)Cc1ccccc1
AtomNum,"The molecule has 27 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",NC(=O)c1c(Cl)c(-c2ccccc2)n2c1CN(C(=O)Nc1ccc(Oc3ccccc3)cc1)CC2
BondNum,"There is a molecule consisting of 9 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",COc1ccc(C(N)=[NH2+])cc1CSc1nnc(SC)s1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amine group.",NC(=S)c1cccc(COC2CCCC2)c1
AddComponent,Add a hydroxyl to the molecule CCCCCCCCCn1cc(CCCc2ccccc2)[nH+]c1CCCC.,CCCCCCCCCn1cc(CC(O)Cc2ccccc2)[nH+]c1CCCC
SubComponent,Substitute a hydroxyl in the molecule CCC(=Cc1ccccc1O)CCC(O)C1=C(COC)CS(=O)(=O)C1CO with a nitro.,CCC(=Cc1ccccc1NO)CCC(O)C1=C(COC)CS(=O)(=O)C1CO
DelComponent,Remove a CC(=O)NCC(=O)N1CC2C[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2(CO)C1 from the molecule benzene ring.,CC(=O)NCC(=O)N1CC2C[NH+](C(F)C(F)(F)F)CC2(CO)C1
LogP,Please optimize the molecule CCC1CCc2c(sc3ncn4nc(-c5ccc(F)cc5)nc4c23)C1 to have a lower LogP value.,CCC1CCc2c(sc3ncn4nc(-c5ccccc5)nc4c23)C1
MR,Modify the molecule Cn1nccc1C(=O)Nc1nnc(-c2ccc(S(C)(=O)=O)cc2)o1 to decrease its MR value.,Cn1nccc1C(=O)Nc1nnc(S(C)(=O)=O)o1
QED,Modify the molecule CCOC(=O)c1[nH]cc(C2C(O[Si](C)(C)C(C)(C)C)CC(CO[Si](C)(C)C(C)(C)C)N2C(=O)OC(C)(C)C)c1NC(=[NH+]C(=O)c1ccccc1)SC to decrease its QED value.,CCOC(=O)c1[nH]cc(C2C(O[Si](C)(C)C(C)(C)C)CC(CO[Si](C)(C)C(C)(C)C)N2C(=O)OC(C)(C)C)c1NC(=[NH+]C=O)SC
AtomNum,"Please generate a molecule consisting 27 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",COc1cc(-c2nnc(SCC(=O)Nc3ccc(C(C)=NO)cc3)n2-c2ccccc2)cc(OC)c1OC
BondNum,"Please generate a molecule with 9 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",O=Cc1ccccc1OC(=O)CCCCCBr
FunctionalGroup,"The molecule has 1 benzene ring group, 1 halo group, and 1 sulfide group.",COC(=O)NC(C)c1cc(-c2sc(Oc3ccc(OC(C)C)cc3)nc2Cl)no1
AddComponent,Add a thiol to the molecule CCOc1ccc(CCCNc2cccc(C)c2)c(OCC)c1.,CCOc1cc(OC(C)S)ccc1CCCNc1cccc(C)c1
SubComponent,Modify the molecule halo by substituting a Fc1ccccc1NC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 with a aldehyde.,CC(=O)c1ccccc1NC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1
DelComponent,Please remove a CCc1nc2c(OC)cccn2c1C(=O)Nc1cccc2ccccc12 from the molecule amide.,CCc1(-c2cccc3ccccc23)nc2c(OC)cccn2-1
LogP,Modify the molecule Cc1[nH]c(C(F)F)cc(=O)c1F to decrease its LogP value.,Cc1[nH]c(C(F)NO)cc(=O)c1F
MR,Modify the molecule CCC(=O)CCCOc1ccccc1Cl to have a higher MR value.,CCC(=O)CCCOc1ccccc1S
QED,Modify the molecule CC1CC(C)C(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)O1 to decrease its QED value.,CC1CC(C)(c2ccc3c(c2)nc2n3CCCCC2)O1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 2 bromine atoms.",O=C(Nc1ccc(Br)c(F)c1)c1ccc(Br)nc1
BondNum,"The molecule has 10 single bonds, 6 double bonds, 7 rotatable bonds, and 24 aromatic bonds.",COc1ccc(S(=O)(=O)c2cc(S(=O)(=O)c3ccc(C)cc3)cc(S(=O)(=O)c3ccc([O-])cc3)c2)cc1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amine group, and 4 halo groups.",Nc1cc(F)c(N2CCC(c3ccc(F)c(F)c3)CC2)c(F)c1
AddComponent,Please add a benzene ring to the molecule CCOc1ccc(C(=O)NC(C(=O)Nc2cc(C)nn2C)C(C)C)cc1.,CCOc1ccc(C(=O)NC(C(=O)Nc2cc(C)nn2C)C(C)(C)c2ccccc2)cc1
SubComponent,Substitute a COc1cc(F)c(CN(C)C(=O)C(=O)[O-])cc1F in the molecule halo with a thiol.,COc1cc(S)c(CN(C)C(=O)C(=O)[O-])cc1F
DelComponent,Please remove a CCOC(=O)CC[NH2+]C(C)C(=O)NC(C)CC from the molecule amide.,CCOC(=O)CC[NH2+]C(C)(C)CC
LogP,Optimize the molecule O=C(Nc1ccc(S(=O)(=O)[O-])cc1)Nc1cc(Br)c[nH]c1=O to have a lower LogP value.,O=C(Nc1ccc(S(=O)(=O)[O-])cc1)Nc1cc(C(=O)[OH])c[nH]c1=O
MR,Modify the molecule Cc1c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)ccc(Br)c1Cl to have a higher MR value.,O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1CO)Nc1ccc(Oc2ccc(Br)cc2)cc1
QED,Modify the molecule O=C(N=Cc1ccsc1)OCc1ccccc1 to decrease its QED value.,COC(=O)N=Cc1ccsc1
AtomNum,"The molecule is composed of 10 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CC(O)CN(C)c1nccc(C#N)c1[N+](=O)[O-]
BondNum,"There is a molecule composed of 10 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",CCc1ccccc1NCCC(=O)Nc1cccc(Cl)c1Cl
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 halo group, 1 nitrile group, and 1 sulfide group.",N#Cc1ccc(-n2sc3ccccc3c2=O)c(F)c1
AddComponent,Modify the molecule Cn1cc(-c2cc3cnc(Nc4ccc(C(=O)N5CC(F)(F)C5)cc4Cl)cc3[nH]2)cn1 by adding a hydroxyl.,Cn1cc(-c2cc3cnc(Nc4ccc(C(=O)N5CC(F)(F)C5O)cc4Cl)cc3[nH]2)cn1
SubComponent,Substitute a halo in the molecule CCNc1ccc(C)cc1C(=O)Nc1ccc(F)cc1Cl with a hydroxyl.,CCNc1ccc(C)cc1C(=O)Nc1ccc(O)cc1Cl
DelComponent,Remove a halo from the molecule CC1CCCN(c2ccc(C(=O)[O-])c(C(F)(F)F)c2)CC1.,CC1CCCN(c2ccc(C(=O)[O-])c(C(F)F)c2)CC1
LogP,Optimize the molecule CCC(CO)(CO)CN1C(=O)NCC1C to have a higher LogP value.,CCC(C)(CO)CN1C(=O)NCC1C
MR,Please optimize the molecule Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c2cc(Cl)ccc2Cl)cc1 to have a lower MR value.,Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(C)c(C)c3)cc2)c2cc(Cl)ccc2Cl)cc1
QED,Please optimize the molecule C[NH+]1CC2(CCN(C(=[NH2+])C3CC3)C2)C1 to have a higher QED value.,C[NH+]1CC2(CCN(CC3CC3)C2)C1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 4 nitrogen atoms, and 1 fluorine atom.",C[NH+](C)CCN1CCN(c2cc(N)cc(F)c2)CC1
BondNum,"The molecule contains 18 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",CC[NH+]1CCCC1CNC(NCc1nnc(C)n1C)=[NH+]Cc1ccccc1C
FunctionalGroup,The molecule has and 1 benzene ring group.,Cn1cnnc1CNC(=O)Nc1cccc(COCc2ccco2)c1
AddComponent,Add a hydroxyl to the molecule C[NH+]1CCC(C[NH2+]C(c2ccc(Cl)cc2)C2CC2)CC1.,C[NH+]1CCC(C[NH2+]C(c2ccc(Cl)c(O)c2)C2CC2)CC1
SubComponent,Substitute a halo in the molecule CCN(CC)C(=O)c1cccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 with a thiol.,CCN(CC)C(=O)c1cccc(NC(=O)c2csc(-c3ccc(S)cc3)n2)c1
DelComponent,Modify the molecule halo by removing a CCCCN(CCC(=O)Nc1ccccc1Br)C(C)=O.,CCCCN(CCC(=O)Nc1ccccc1)C(C)=O
LogP,Modify the molecule COC1CC(Nc2cnn(CC(F)(F)F)c(=O)c2Br)C1 to decrease its LogP value.,COC1CC(Nc2cnn(CC(F)(F)F)c(=O)c2)C1
MR,Please optimize the molecule O=C([O-])C1OCN([O-])C1c1ccccc1 to have a lower MR value.,O=C([O-])C1CN([O-])CO1
QED,Please modify the molecule CCOc1cc(Sc2nnc(-c3ccccc3C)o2)ccc1[N+](=O)[O-] to increase its QED value.,CCO[SH](c1nnc(-c2ccccc2C)o1)[N+](=O)[O-]
AtomNum,"Please generate a molecule with 22 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 fluorine atom.",Fc1ccc2c(c1)C1(CC[NH+](CC3CCC4CCCC(C3)O4)CC1)CN2
BondNum,"The molecule has 10 single bonds, 1 double bond, 2 rotatable bonds, and 5 aromatic bonds.",CC1CSCC[NH+]1Cc1nc(=O)n(C)[nH]1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 1 sulfide group.",Cc1ccc(CCC(=O)NCCc2nn3cnnc3s2)cc1
AddComponent,Please add a benzene ring to the molecule CCCCCCCC1OC(CC)CC(CC2CC(CC(C)O)OC(CCCCCCCCCCOc3ccc(-c4ccc(C(=O)OC5CCCCC5)cc4)cc3)O2)O1.,CCCCCCCC1OC(CC)CC(CC2CC(CC(C)O)OC(CCCCCCCCCCOc3ccc(-c4ccc(C(=O)OC5CCCCC5)cc4-c4ccccc4)cc3)O2)O1
SubComponent,Please substitute a O=C1C2=C(C(=O)c3ccccc31)C(c1ccc(F)cc1)C1=C(O2)C(=O)c2ccccc2C1=O in the molecule halo with a nitrile.,N#Cc1ccc(C2C3=C(OC4=C2C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)cc1
DelComponent,Please remove a amide from the molecule O=C(Cn1cc(Br)ccc1=O)NCCOCCO.,O=c1ccc(Br)cn1CCOCCO
LogP,Please optimize the molecule CCC(CNC(NC(C)C)=[NH+]C)Oc1ccccc1F to have a lower LogP value.,CCC(CNC(NC(C)C)=[NH+]C)Oc1ccccc1C#N
MR,Please optimize the molecule CC(=O)Nc1cccc2c1CCN(c1ccnc(C3CC3)n1)C2 to have a higher MR value.,CC(=O)Nc1cccc2c1CCN(c1ccnc(C3CC3)n1)C2N
QED,Please optimize the molecule CCC[NH+](CCO)CC(N)=O to have a higher QED value.,CCC[NH+](CCS)CC(N)=O
AtomNum,"There is a molecule composed of 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CCOC(=O)CCC(=O)NC(Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1
BondNum,"The molecule has 7 single bonds, 1 triple bond, 2 rotatable bonds, and 10 aromatic bonds.",COc1cc(C)c2c(c1)c(C#N)cn2C(C)C
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amine groups, 1 halo group, 1 sulfide group, and 1 sulfone group.",Nc1ccccc1OCCNS(=O)(=O)c1ccc(Cl)s1
AddComponent,Add a carboxyl to the molecule Nc1cccc(COc2cccc3ccccc23)c1.,Nc1cccc(C(Oc2cccc3ccccc23)C(=O)O)c1
SubComponent,Please substitute a halo in the molecule COC(C(NN)c1ccccc1Cl)C(C)(C)C with a thiol.,COC(C(NN)c1ccccc1S)C(C)(C)C
DelComponent,Please remove a benzene ring from the molecule O=C([O-])c1cn(Cc2cccc(C(F)(F)F)c2)c2cc(Cl)c(F)cc2c1=O.,O=C([O-])c1cn(CC(F)(F)F)c2cc(Cl)c(F)cc2c1=O
LogP,Please modify the molecule Cc1cc(-c2ccc(-c3c(C)nc(-c4cccc(F)c4OCc4ccccc4)n(CCc4ccccc4)c3=O)s2)on1 to increase its LogP value.,Cc1cc(-c2ccc(-c3c(C)nc(-c4cccc(S)c4OCc4ccccc4)n(CCc4ccccc4)c3=O)s2)on1
MR,Modify the molecule Cc1cccn2c(=O)cc(COc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)nc12 to decrease its MR value.,Cc1cccn2c(=O)cc(COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)nc12
QED,Modify the molecule COc1ccc(C(C)[NH2+]C(CO)c2ccco2)c(Br)c1 to decrease its QED value.,COc1ccc(C(C)[NH2+]C(CO)c2ccco2)c(O)c1
AtomNum,"The molecule consists of 16 carbon atoms, and 6 oxygen atoms.",CCC(C)C(C)(C)OC(=O)OOC(=O)OC(C)(C)C(C)CC
BondNum,"Please generate a molecule with 19 single bonds, 2 double bonds, 6 rotatable bonds, and 21 aromatic bonds.",COc1ccc2[nH]c3c(c2c1)CC1(C)C(=O)N(CCNc2ccnn2C)C(=O)N1C3c1cccc(O)c1
FunctionalGroup,"There is a molecule consisting of 1 nitrile group, and 1 sulfide group.",CC1CCc2c(sc(N(CCC(=O)[O-])CC(=O)[O-])c2C#N)C1
AddComponent,Please add a amine to the molecule Cc1ccc(Br)c(C2CCCC2[NH3+])c1.,Cc1cc(N)c(Br)c(C2CCCC2[NH3+])c1
SubComponent,Please substitute a O=C(CCBr)Nc1cc2c(cc1Cl)OCCO2 in the molecule halo with a hydroxyl.,O=C(CCO)Nc1cc2c(cc1Cl)OCCO2
DelComponent,Remove a C=S(C)(=O)Nc1c(OC)ccc(C(=O)c2cnn(C)c2OCc2ccc3ccccc3c2)c1Cl from the molecule halo.,C=S(C)(=O)Nc1cc(C(=O)c2cnn(C)c2OCc2ccc3ccccc3c2)ccc1OC
LogP,Please modify the molecule Cc1ccc(N2C(=O)C(Cl)C2c2cc3ccccc3[nH]c2=S)cc1 to decrease its LogP value.,Cc1ccc(N2C(=O)CC2c2cc3ccccc3[nH]c2=S)cc1
MR,Modify the molecule CN(Cc1cnc2ccccc2c1)C(=O)c1cccc(F)c1 to have a higher MR value.,CN(Cc1cnc2ccccc2c1)C(=O)c1cccc(C(=O)[OH])c1
QED,Modify the molecule Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] to have a lower QED value.,Nc1cc(C(=O)Nc2ccc(NO)c(Cl)c2)ccc1[N+](=O)[O-]
AtomNum,"There is a molecule composed of 11 carbon atoms, and 4 nitrogen atoms.",Cc1cc(N(C)C2CCCC2)nc(N)n1
BondNum,"Please generate a molecule composed of 18 single bonds, 4 double bonds, 11 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 hydroxyl group, 2 thioether groups, 2 sulfide groups, and 2 disulfide groups.",OCc1ccc(SSCc2ccc(CSSc3ccccn3)cc2)cc1
AddComponent,Modify the molecule CNS(=O)(=O)c1ccccc1NC(=O)NCCC(=O)NC1CCCCC1 by adding a hydroxyl.,CNS(=O)(=O)c1cc(O)ccc1NC(=O)NCCC(=O)NC1CCCCC1
SubComponent,Please substitute a halo in the molecule O=C(NCc1cccs1)C1CC(c2ccc(F)cc2)=NO1 with a hydroxyl.,O=C(NCc1cccs1)C1CC(c2ccc(O)cc2)=NO1
DelComponent,Please remove a benzene ring from the molecule COc1cc2c(OC)cc1Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OCc1ccc(COc3cc4c(OC)cc3Cc3cc(OC)c(cc3OC)Cc3cc(OC)c(cc3OC)Cc3cc(OC)c(cc3OC)Cc3cc(OC)c(cc3OC)C4)cc1)Cc1cc(OC)c(cc1OC)C2.,COc1cc2c(OC)cc1Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OCCOc1cc3c(OC)cc1Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)C3)Cc1cc(OC)c(cc1OC)C2
LogP,Modify the molecule O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ncc([N+](=O)[O-])s1 to have a higher LogP value.,O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Oc1ncc([N+](=O)[O-])s1
MR,Modify the molecule CC(C)Oc1ccc(C2CN(C(=O)C3CC[NH2+]CC3)CC[NH+]2C)cc1 to have a lower MR value.,CC(C)OC1CN(C(=O)C2CC[NH2+]CC2)CC[NH+]1C
QED,Modify the molecule COCC(C)(C)[NH2+]Cc1ccc2cc[nH]c2c1 to decrease its QED value.,COCC(C)(C)[NH2+]C(O)c1ccc2cc[nH]c2c1
AtomNum,"Please generate a molecule with 17 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCc1ccc(C(=O)N(CCNC(C)=O)C(C)C(=O)[O-])cc1S(C)(=O)=O
BondNum,"There is a molecule with 11 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CCOP(=S)(OCC)Oc1ccc(SC)cc1C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 amide groups, and 1 halo group.",COc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)N1Cc2ccccc2-c2ccccc2C1
AddComponent,Add a hydroxyl to the molecule COc1ccc(C(C)C)cc1CNC(=O)CC(C)[NH3+].,COc1ccc(C(C)CO)cc1CNC(=O)CC(C)[NH3+]
SubComponent,Modify the molecule hydroxyl by substituting a CCCc1c(C)oc2cc(=O)ccc-2c1O with a halo.,CCCc1c(C)oc2cc(=O)ccc-2c1Cl
DelComponent,Please remove a amine from the molecule COCCCNC(=S)NCC[NH+]1CCCC1.,COCCCC(=S)NCC[NH+]1CCCC1
LogP,Optimize the molecule CC1(C)c2ccccc2-c2ccc(-c3cccc(N(C4=C5CC(=CC=C4)C(c4ccccc4)(c4ccccc4)c4ccccc45)c4cccc(-c5ccccc5)c4)c3)cc21 to have a lower LogP value.,CC1(C)c2ccccc2-c2ccc(-c3cccc(N(C4=C5CC(=CC=C4)C(c4ccccc4)c4ccccc45)c4cccc(-c5ccccc5)c4)c3)cc21
MR,Please optimize the molecule O=C(Nc1cccnc1C1CC[NH2+]C1)c1ccc(Cl)cc1 to have a higher MR value.,O=C(Nc1cccnc1C1CC[NH2+]C1)c1ccc(S)cc1
QED,Optimize the molecule Clc1cccc(Br)c1NC1=[NH+]C2CCC(C2)N1 to have a lower QED value.,Clc1ccccc1NC1=[NH+]C2CCC(C2)N1
AtomNum,"The molecule is composed of 19 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
BondNum,"Please generate a molecule consisting 8 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",COC(=O)C(NCl)C(=O)c1ccc(-n2cccc2)cc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 sulfide group, and 1 sulfone group.",COc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc12
AddComponent,Modify the molecule CC1Cc2cc(CCOc3ccc(N=C=O)cc3)ccc2O1 by adding a carboxyl.,CC1Cc2c(ccc(CCOc3ccc(N=C=O)cc3)c2C(=O)O)O1
SubComponent,Please substitute a halo in the molecule Cc1cc(C)n(C(C)C)c(=O)c1C([NH3+])c1ccc(F)cc1 with a nitrile.,Cc1cc(C)n(C(C)C)c(=O)c1C([NH3+])c1ccc(C#N)cc1
DelComponent,Remove a benzene ring from the molecule COc1ccccc1SC1CCCC(CO)([NH2+]C2CC2)C1.,COSC1CCCC(CO)([NH2+]C2CC2)C1
LogP,Modify the molecule CCCSP(=O)(OCC)OCCC=C(F)F to have a lower LogP value.,CCCSP(=O)(OCC)OCCC(O)=C(F)F
MR,Please optimize the molecule CCCCCCCCCCCCCCCCCCC1CCCCC1(O)CCCCCCCCCCCCCCCCCC to have a higher MR value.,CC(=O)C1(CCCCCCCCCCCCCCCCCC)CCCCC1CCCCCCCCCCCCCCCCCC
QED,Please modify the molecule Cc1nc2ccccc2nc1NCC(C)(O)CCC(C)C to increase its QED value.,Cc1nc2ccccc2nc1CC(C)(O)CCC(C)C
AtomNum,"The molecule consists of 12 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COC(=O)C1(C#N)CC(C)(C)CC1=CC(=O)[O-]
BondNum,"The molecule consists of 8 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCc1ccc(C(O)C(O)C[NH3+])cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 halo group, and 1 sulfide group.",O=C(NCc1ccc(Cl)cc1)c1cnc2sc(C[NH+]3CCOCC3)c(O)c2c1
AddComponent,Add a hydroxyl to the molecule CC(CC(F)(F)F)NC(=O)c1cccc(C(=O)[O-])c1.,CC(CC(F)(F)F)NC(=O)c1ccc(O)c(C(=O)[O-])c1
SubComponent,Please substitute a hydroxyl in the molecule CO[n+]1ccccc1CCC(NS(=O)(=O)Cc1ccccc1)C(=O)NC(CO)C(=O)NCc1cc(Cl)ccc1CN with a halo.,CO[n+]1ccccc1CCC(NS(=O)(=O)Cc1ccccc1)C(=O)NC(CI)C(=O)NCc1cc(Cl)ccc1CN
DelComponent,Modify the molecule amine by removing a CCOC(=O)N1CCC(Nc2cc(N3CCC(C)CC3)ncn2)CC1.,CCOC(=O)N1CCC(c2cc(N3CCC(C)CC3)ncn2)CC1
LogP,Optimize the molecule COCCCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N(C)C)cc2)C1c1cccc(Br)c1 to have a lower LogP value.,COCCCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N(C)C)cc2)C1c1cccc(C(=O)[OH])c1
MR,Modify the molecule COc1ccc(-c2nc(C3CCN(C(=O)N(C)O)CC3)oc2-c2ccc(F)cc2)cc1 to have a higher MR value.,COc1ccc(-c2nc(C3CCN(C(=O)N(C)O)C(N)C3)oc2-c2ccc(F)cc2)cc1
QED,Please optimize the molecule CCc1ccc(-n2c(C)cc(C=C(C#N)c3cccc(Br)c3)c2C)cc1 to have a higher QED value.,CCc1ccc(-n2c(C)cc(C=C(Br)C#N)c2C)cc1
AtomNum,"There is a molecule with 15 carbon atoms, 3 oxygen atoms, and 1 sulfur atom.",Cc1ccc(S(=O)(=O)[O-])c(C=Cc2ccccc2)c1
BondNum,"The molecule has 14 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",CC(C)c1nn(C)c(NCC2CCCCS2)c1N
FunctionalGroup,"The molecule has 1 benzene ring group, 2 halo groups, and 1 sulfone group.",COc1ccc(S(=O)(=O)N(C)C)c(Cl)c1Cl
AddComponent,Add a hydroxyl to the molecule O=C(OC1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[P+]([O-])(OCc2ccccc2)C(O)C1O)c1ccccc1.,O=C(OC1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[P+]([O-])(OCc2ccccc2)C(O)C1O)c1ccc(O)cc1
SubComponent,Substitute a halo in the molecule COc1ccccc1C(=CC=CC(=O)Nc1cccc2c1CC(O)C(=O)N2)c1ccc(C(F)(F)F)cc1 with a hydroxyl.,COc1ccccc1C(=CC=CC(=O)Nc1cccc2c1CC(O)C(=O)N2)c1ccc(C(O)(F)F)cc1
DelComponent,Remove a halo from the molecule Cc1ccc(C(C)[NH2+]Cc2ccc(C(=O)[O-])c(F)c2)s1.,Cc1ccc(C(C)[NH2+]Cc2ccc(C(=O)[O-])cc2)s1
LogP,Optimize the molecule CCC(Br)c1nnc(Cc2ccccc2)o1 to have a lower LogP value.,CCC(Br)c1nnc(C)o1
MR,Please modify the molecule CS(=O)(=O)c1c(-c2ccccc2)ccc(N2Cc3ccccc3C([NH3+])C2=O)c1F to decrease its MR value.,CS(=O)(=O)c1cccc(N2Cc3ccccc3C([NH3+])C2=O)c1F
QED,Please optimize the molecule COCC1CCC[NH+](Cc2ccc(C[NH3+])cc2Br)C1 to have a lower QED value.,CC(=O)c1cc(C[NH3+])ccc1C[NH+]1CCCC(COC)C1
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(NS(=O)(=O)CCC=CCc1cc(O)c2c(c1)COC(=O)N2)c1cccc(OCC2CC2)c1
BondNum,"There is a molecule with 13 single bonds, 2 double bonds, and 5 rotatable bonds.",COC(=O)C(C)=CC[NH2+]CC1CC1(C)C
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 ketone groups, and 1 ester group.",CCOC(=O)C1(CCC(=O)c2ccccc2)CCCC1=O
AddComponent,Modify the molecule CCC[NH2+]Cc1sc(N(C)C(C)CCC)nc1CC by adding a hydroxyl.,CCCC(C)N(C)c1nc(CC)c(C[NH2+]CCCO)s1
SubComponent,Substitute a halo in the molecule O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1coc2cccc(Cl)c12 with a carboxyl.,O=C([OH])c1ccc(Cc2cnc(NC(=O)c3coc4cccc(Cl)c34)s2)cc1
DelComponent,Modify the molecule hydroxyl by removing a COC(=O)c1ccc(N(C)CC2(O)C[NH2+]C2)cc1.,COC(=O)c1ccc(N(C)CC2C[NH2+]C2)cc1
LogP,Please optimize the molecule Cn1ncc(NCC2(c3cccc(Cl)c3)CCOCC2)c(Br)c1=O to have a lower LogP value.,Cn1ncc(NCC2(c3cccc(NO)c3)CCOCC2)c(Br)c1=O
MR,Please modify the molecule N#Cc1cccc(CC(=Cc2ccccc2)N2CCCC2=O)c1 to increase its MR value.,O=C1CCCN1C(=Cc1ccccc1)Cc1cccc(S)c1
QED,Optimize the molecule CCOc1ccccc1C(=O)N1CC(S(=O)(=O)CC)C1 to have a lower QED value.,CCOc1ccccc1C(=O)N1CC(S(=O)(=O)CCO)C1
AtomNum,"Please generate a molecule with 26 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 3 chlorine atoms.",O=C(Nc1cnc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)CC(CCN1CCCC1=O)O2)c1c(Cl)cccc1Cl
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 10 rotatable bonds, and 6 aromatic bonds.",CCCCCCCCCCc1ccccc1C(=O)[O-]
FunctionalGroup,The molecule has and 1 benzene ring group.,CCCCCCCCCCCCCCCCCCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCCCCCCCCCCCC
AddComponent,Add a hydroxyl to the molecule CCCCCCCC(=O)NN=Cc1csc2ccccc12.,CCCCCCCC(=O)NN=C(O)c1csc2ccccc12
SubComponent,Please substitute a hydroxyl in the molecule CCCc1c(OCCCOc2ccc3c(c2CCC)OC(C(=O)CCC(=O)OCC)(C(=O)OC)CC3)ccc(C(C)=O)c1O with a carboxyl.,CCCc1c(OCCCOc2ccc(C(C)=O)c(C(=O)[OH])c2CCC)ccc2c1OC(C(=O)CCC(=O)OCC)(C(=O)OC)CC2
DelComponent,Remove a benzene ring from the molecule CCc1ccc(CC[NH+](C)CC(C)CC(=O)[O-])cc1.,CCCC[NH+](C)CC(C)CC(=O)[O-]
LogP,Optimize the molecule COc1ccc(N)cc1N(CCO)CCO to have a higher LogP value.,COc1ccccc1N(CCO)CCO
MR,Modify the molecule CC(C)c1nc2scc(-c3ccc(C(C)(C)C)cc3)n2c1N to have a lower MR value.,CC(C)c1nc2scc(C(C)(C)C)n2c1N
QED,Optimize the molecule C=CCc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1ccccc1Cl to have a higher QED value.,C=CCc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCCl
AtomNum,"Please generate a molecule with 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 2 chlorine atoms.",O=C(NCc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",C=CCNc1[nH+]c(C)cn1-c1ccc(N(C)C)cc1
FunctionalGroup,The molecule is composed of and 1 sulfone group.,[N-]=[N+]=NS(=O)(=O)c1ccco1
AddComponent,Modify the molecule C[NH2+]CCCN1c2ccccc2C(c2ccccc2)Nc2cccnc21 by adding a hydroxyl.,C[NH2+]CCCN1c2cc(O)ccc2C(c2ccccc2)Nc2cccnc21
SubComponent,Substitute a Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1ccccc1Br in the molecule halo with a nitrile.,Cc1nn(COc2ccc(C#N)cc2F)c(C)c1NC(=O)c1ccccc1Br
DelComponent,Remove a CC(CNc1ccc(Br)cc1C(N)=O)C(=O)[O-] from the molecule amine.,CC(Cc1ccc(Br)cc1C(N)=O)C(=O)[O-]
LogP,Please optimize the molecule O=C(Nc1ccccc1)NC1C2CC(C2)C1I to have a lower LogP value.,NC1(I)C2CC(C2)C1NC(=O)Nc1ccccc1
MR,Modify the molecule Cc1nnc(NCc2nc(C(=O)[O-])cs2)c2ccccc12 to decrease its MR value.,Cc1nnc(Cc2nc(C(=O)[O-])cs2)c2ccccc12
QED,Modify the molecule C=Cc1ccc(COCCCCCCO)cc1 to have a lower QED value.,C=CCOCCCCCCO
AtomNum,"There is a molecule consisting of 17 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",O=C(NC1CCN(c2ccc(F)cc2)C1=O)c1ccc(Cl)cc1
BondNum,"There is a molecule composed of 16 single bonds, 4 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 halo group.",CCCCCC1CCC(c2ccc(C3(C4CCC(=COC)CC4)CCCCC3)c(F)c2)CC1
AddComponent,Add a thiol to the molecule COc1ccc(CC(=O)c2cccc(F)c2)c(NC(=O)OC(C)(C)C)c1.,COc1cc(S)c(CC(=O)c2cccc(F)c2)c(NC(=O)OC(C)(C)C)c1
SubComponent,Substitute a halo in the molecule CCCC(NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C)C(=O)[O-] with a nitrile.,CCCC(NC(=O)c1cnn(-c2ccc(C#N)cc2)c1C(C)C)C(=O)[O-]
DelComponent,Please remove a hydroxyl from the molecule CC(C)C1(C)CC1C(=O)N1CCC2(CCC(O)CC2)CC1.,CC(C)C1(C)CC1C(=O)N1CCC2(CCCCC2)CC1
LogP,Optimize the molecule CCOCC(O)C[NH+](C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC(C)C3 to have a lower LogP value.,CC1CCc2c(sc3nc(C[NH+](C)CC(O)COCCS)[nH]c(=O)c23)C1
MR,Modify the molecule CC1CC(=O)C(C(=O)c2ccc(S(C)(=O)=O)cc2Cl)=C(SC#N)C1 to decrease its MR value.,CC1CC(=O)C(C(=O)c2ccc(S(C)(=O)=O)cc2C#N)=C(SC#N)C1
QED,Please modify the molecule Cc1cc(C)c(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(c4ccc(C(=O)OC(C)C)cc4)C3=O)cc2)c(C)c1 to increase its QED value.,Cc1cc(C)c(NC(=O)c2ccc(NC3=CC(=O)N(c4ccc(C(=O)OC(C)C)cc4)C3=O)cc2)c(C)c1
AtomNum,"There is a molecule composed of 21 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)C(Cc1cnc[nH]1)CCO2
BondNum,"The molecule is composed of 15 single bonds, 6 rotatable bonds, and 5 aromatic bonds.",CCOC1(c2noc(C([NH3+])(CC)CC)n2)CCCC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CCC(C)C([NH3+])C(=O)NCc1ccc(C)cc1O
AddComponent,Add a benzene ring to the molecule COCCOCC[N+]12CCC(CC1)C(OC(=O)C1(O)c3ccccc3-c3ccccc31)C2.,COCCOC(C[N+]12CCC(CC1)C(OC(=O)C1(O)c3ccccc3-c3ccccc31)C2)c1ccccc1
SubComponent,Modify the molecule halo by substituting a COc1ccc(N2CC(C3NSC(=O)N3)C(=O)N(Cc3cccc(C(F)(F)F)c3C)C2=O)cc1OC with a hydroxyl.,COc1ccc(N2CC(C3NSC(=O)N3)C(=O)N(Cc3cccc(C(O)(F)F)c3C)C2=O)cc1OC
DelComponent,Remove a COc1ccc2c(c1)OCC(CNC(=O)CCC1=NNC(=O)CC1)C2 from the molecule amide.,COc1ccc2c(c1)OCC(CCC1=NNC(=O)CC1)C2
LogP,Modify the molecule Cc1ccc2c(Br)cc(C)c(C)c2c1C to have a lower LogP value.,Cc1ccc2c(O)cc(C)c(C)c2c1C
MR,Modify the molecule CCC[NH2+]C1CCCCCC1Sc1ccccn1 to have a higher MR value.,CCC(N)[NH2+]C1CCCCCC1Sc1ccccn1
QED,Modify the molecule CC(C)(C)c1cc2c(-c3ccc(S(=O)(=O)NC4CCS(=O)(=O)CC4)cn3)ccnc2[nH]1 to increase its QED value.,CC(C)(C)c1cc2c(-c3ccc(S(=O)(=O)C4CCS(=O)(=O)CC4)cn3)ccnc2[nH]1
AtomNum,"There is a molecule composed of 29 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, 1 chlorine atom, and 1 iodine atom.",COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1
BondNum,"The molecule is composed of 9 single bonds, 1 double bond, 1 triple bond, 6 rotatable bonds, and 12 aromatic bonds.",N#Cc1cccc(OCC(=O)NCCc2ccccc2F)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 halo group.",[NH3+]C(c1ccc(Br)cc1)C1CCCc2ccccc21
AddComponent,Add a benzene ring to the molecule CC(CNCc1cnc(C2CC2)s1)S(C)=O.,CS(=O)C(C)(CNCc1cnc(C2CC2)s1)c1ccccc1
SubComponent,Please substitute a nitrile in the molecule COc1ccc(-c2nc(C#N)c(N)nc2-c2ccccc2)cn1 with a nitro.,COc1ccc(-c2nc(NO)c(N)nc2-c2ccccc2)cn1
DelComponent,Please remove a amine from the molecule CC(N)(C#N)CCCSc1ccccc1F.,CC(C#N)CCCSc1ccccc1F
LogP,Modify the molecule COc1cnc(-c2cccc(C(F)(F)F)c2Cl)[nH]c1=O to have a lower LogP value.,COc1cnc(-c2cccc(C(F)(F)NO)c2Cl)[nH]c1=O
MR,Modify the molecule COc1cc(CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC to increase its MR value.,COc1cc(CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(OCN)c1OC
QED,Optimize the molecule Cc1cc(C=CC(=O)OCC(=O)NCCN2C(=O)CSC2=S)c(C)n1C1CC1 to have a higher QED value.,Cc1cc(C=CC(=O)OCCN2C(=O)CSC2=S)c(C)n1C1CC1
AtomNum,"The molecule has 7 carbon atoms, 12 oxygen atoms, and 2 phosphorus atoms.",COC1OC(CO)C(OP(=O)(O)O)C(O)C1O[P+](O)(O)O
BondNum,"Please generate a molecule composed of 12 single bonds, 2 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",CCC1CCC(NS(=O)(=O)c2ccc(Br)s2)C1C
FunctionalGroup,"Please generate a molecule consisting 1 nitro group, and 1 sulfide group.",O=c1scc2ccccc2c1[N+](=O)[O-]
AddComponent,Modify the molecule CC(C)(O)C(C)(C)OP(O)O by adding a amine.,CC(O)(CN)C(C)(C)OP(O)O
SubComponent,Substitute a thiol in the molecule CC(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CS)NC(=O)C([NH3+])CCC(=O)[O-])C(=O)[O-] with a nitro.,CC(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CNO)NC(=O)C([NH3+])CCC(=O)[O-])C(=O)[O-]
DelComponent,Please remove a benzene ring from the molecule CCn1cc(CC([NH3+])c2ccc(Br)cc2Cl)cn1.,CCn1cc(CC([NH3+])(Cl)Br)cn1
LogP,Modify the molecule N#CCCc1ccc([S-])cc1C=CC(=O)[O-] to have a higher LogP value.,O=C([O-])C=Cc1cc([S-])ccc1CCCl
MR,Modify the molecule CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1 to decrease its MR value.,CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1ccc(O)cc1
QED,Please modify the molecule CCC[NH+]=C(N)Nc1cnc2ccccc2c1 to increase its QED value.,CCC[NH+]=C(N)c1cnc2ccccc2c1
AtomNum,"The molecule has 19 carbon atoms, 4 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",CC(C#N)(Cn1cc2ccc(Cl)cc2n1)NC(=S)c1ccc(C(F)(F)F)cc1
BondNum,"The molecule consists of 8 single bonds, 2 rotatable bonds, and 14 aromatic bonds.",c1csc(-c2csc3nnc(C4CC[NH2+]CC4)n23)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",CCOc1ccc(-n2c(C(CC)N(C)C(=O)CC(C)CC(C)(C)C)nc3ccccc3c2=O)cc1
AddComponent,Add a hydroxyl to the molecule CCn1nc(C#N)cc1-c1ccc(F)cc1.,CCn1nc(C#N)cc1-c1ccc(F)cc1O
SubComponent,Substitute a COc1cc(Nc2nnc(C(C)Cl)o2)ccc1Cl in the molecule halo with a carboxyl.,COc1cc(Nc2nnc(C(C)C(=O)[OH])o2)ccc1Cl
DelComponent,Modify the molecule benzene ring by removing a CCCOc1ccc(NC(C)C[NH+]2CCN(CCc3ccccc3)CC2)cc1.,CCCONC(C)C[NH+]1CCN(CCc2ccccc2)CC1
LogP,Modify the molecule C[NH2+]C(C)C(=O)NC(C(=O)N1CC(NC(=O)c2ccc(NC(=O)c3ccc(CC([NH3+])C(=O)N4C[Si](C)(C)CC4C(=O)NC4CCCc5ccccc54)cc3)cc2)CC1C(=O)NC1CCCc2ccccc21)C(C)(C)C to have a lower LogP value.,C[NH2+]C(C)C(=O)NC(C(=O)N1CC(NC(=O)c2ccc(NC(=O)CC([NH3+])C(=O)N3C[Si](C)(C)CC3C(=O)NC3CCCc4ccccc43)cc2)CC1C(=O)NC1CCCc2ccccc21)C(C)(C)C
MR,Optimize the molecule Cc1cnc(CNC(=S)NC2CC2)cn1 to have a lower MR value.,Cc1cnc(CNC(=S)C2CC2)cn1
QED,Modify the molecule Cc1cc(C(=O)N2CCN(c3ccc4c(=O)n(CC(F)F)cnc4c3)CC2)n[nH]1 to increase its QED value.,Cc1cc(C(=O)N2CCN(c3ccc4c(=O)n(CCF)cnc4c3)CC2)n[nH]1
AtomNum,"The molecule consists of 21 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(OCCCC(=O)NC2CCCN(C(=O)N3CCCC3)C2)cc1
BondNum,"The molecule contains 23 single bonds, 2 double bonds, 13 rotatable bonds, and 36 aromatic bonds.",O=C(NCc1ccccc1-c1ccc(C2OC(CSc3ccc(C(=O)[O-])cc3)CC(c3ccc(CO)cc3)O2)cc1)Nc1ccc(Oc2ccccc2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 sulfone group.",C=CCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1
AddComponent,Add a hydroxyl to the molecule [NH3+]CCC(C[NH+]1CCCC1)Oc1ccccc1.,[NH3+]CCC(C[NH+]1CCCC1)Oc1cccc(O)c1
SubComponent,Please substitute a halo in the molecule CC(=O)N1CC[NH+](Cc2cccc(-c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)c2F)CC1 with a aldehyde.,CC(=O)c1c(C[NH+]2CCN(C(C)=O)CC2)cccc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C
DelComponent,Please remove a COc1cc(OC)nc(Sc2cccc(Oc3ccccc3)c2)c1 from the molecule benzene ring.,COc1cc(OC)nc(SOc2ccccc2)c1
LogP,Modify the molecule CCN(CC1[NH2+]CCCC1(C)C)CC(F)(F)F to have a lower LogP value.,CCN(CC1[NH2+]CCCC1(C)C)CC(F)(F)C#N
MR,Modify the molecule C=C(Br)C(=O)Nc1n[nH]c(C(=O)Nc2c[nH]c(C(=O)Nc3c[nH]c(C(=O)NCC[NH+]=C(N)N)c3C)c2C)c1C to have a higher MR value.,C=C(Br)C(=O)Nc1n[nH]c(C(=O)Nc2c[nH]c(C(=O)Nc3c[nH]c(C(=O)NCC[NH+]=C(N)N)c3C)c2C)c1CO
QED,Please modify the molecule CC(NC(=O)c1cn(-c2ccccc2)nn1)c1cnccn1 to decrease its QED value.,CC(O)(NC(=O)c1cn(-c2ccccc2)nn1)c1cnccn1
AtomNum,"Please generate a molecule with 26 carbon atoms, 7 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CCC(C=CS(=O)(=O)c1ccccc1)S(=O)(=O)CNC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1
BondNum,"There is a molecule composed of 13 single bonds, 2 double bonds, and 7 rotatable bonds.",CC(C(=O)NCCOCC(=O)[O-])C1CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 halo groups.",Clc1nc(Cl)c2cn(Cc3ccc(Cn4cccn4)cc3)nc2n1
AddComponent,Add a amine to the molecule COc1cc(CC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc(OC)c1OC.,COc1cc(CC(=O)NCc2cc(N)c(-c3nc4ccccc4s3)o2)cc(OC)c1OC
SubComponent,Substitute a hydroxyl in the molecule Cc1c(O)c(C=O)nn1-c1ccon1 with a nitro.,Cc1c(NO)c(C=O)nn1-c1ccon1
DelComponent,Please remove a amine from the molecule Cc1cccc(-c2n[nH]c(-c3ccc(C)c(N)c3)n2)c1.,Cc1ccc(-c2nc(-c3cccc(C)c3)n[nH]2)cc1
LogP,Please optimize the molecule COc1ccc(OC)c(C=Nc2sc3c(c2C(=O)Nc2ccccc2C)CCC(C(C)(C)C)C3)c1 to have a lower LogP value.,CNC(=O)c1c(N=Cc2cc(OC)ccc2OC)sc2c1CCC(C(C)(C)C)C2
MR,Please optimize the molecule O=C(N=Nc1c(O)[nH]c2c(Br)cccc12)C1COc2ccccc2O1 to have a lower MR value.,O=C(N=Nc1c(O)[nH]c2c(S)cccc12)C1COc2ccccc2O1
QED,Please modify the molecule CCOc1cc(C=NNC(=O)CC(=O)Nc2cccc(OC)c2)cc(Br)c1OCc1ccccc1C#N to increase its QED value.,CCOc1cc(C=NNC(=O)CC(=O)Nc2cccc(OC)c2)ccc1OCc1ccccc1C#N
AtomNum,"The molecule is composed of 19 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CCCCCCC(CCn1ccnc1)SCc1ccc(Cl)cc1Cl
BondNum,"Please generate a molecule composed of 15 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",OCC[NH+]1CCN(C2=[NH+]c3ccccc3CC=C2c2ccccc2)CC1
FunctionalGroup,There is a molecule with and 1 hydroxyl group.,CC([NH3+])(CO)CN1CCC(N2CCOCC2)C1
AddComponent,Add a benzene ring to the molecule Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)N5CCCCC5)c4C)CC3)c2)c1.,Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)C(C)(NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)N5CCCCC5)c4C)CC3)c3ccccc3)c2)c1
SubComponent,Substitute a halo in the molecule N#Cc1cc(F)cc(Oc2ccc(S(=N)(=O)C(F)(F)F)c3c2CCC3O)c1 with a nitro.,N#Cc1cc(NO)cc(Oc2ccc(S(=N)(=O)C(F)(F)F)c3c2CCC3O)c1
DelComponent,Remove a halo from the molecule CCCOC1CCCN(c2cccc(F)c2C=O)C1.,CCCOC1CCCN(c2ccccc2C=O)C1
LogP,Optimize the molecule CC(NC(=O)C1C=CC2=C([NH2+]1)N(C(=O)Nc1nccs1)C1CC[NH+]2C1)C(F)(F)F to have a lower LogP value.,CC(NC(=O)C1C=CC2=C([NH2+]1)N(C(=O)Nc1nccs1)C1CC[NH+]2C1)C(O)(F)F
MR,Please optimize the molecule CCC(C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 to have a higher MR value.,CCC(C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(S)cc1
QED,Please optimize the molecule Cc1cc2c(NC(C)CC[NH+]3CCN(C)CC3)nccc2o1 to have a higher QED value.,Cc1cc2c(C(C)CC[NH+]3CCN(C)CC3)nccc2o1
AtomNum,"Please generate a molecule with 11 carbon atoms, 5 oxygen atoms, and 5 nitrogen atoms.",COC(=O)CC(NC(=O)NCCCc1ncn[nH]1)C(=O)[O-]
BondNum,"Please generate a molecule composed of 9 single bonds, 2 double bonds, 8 rotatable bonds, and 22 aromatic bonds.",O=S(=O)(NCCNc1ncnc2c1cnn2Cc1ccccc1)c1ccc(Br)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 aldehyde group, 1 halo group, and 1 sulfide group.",O=Cc1cscc1-c1cccc(Cl)c1
AddComponent,Please add a benzene ring to the molecule C=C(C)COc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1.,C=C(C)COc1ccc(NC(=O)c2ccccc2Nc2cccc(-c3ccccc3)c2)cc1
SubComponent,Substitute a CC(C)NC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 in the molecule halo with a hydroxyl.,CC(C)NC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(O)cc3)cc2)CC1
DelComponent,Modify the molecule benzene ring by removing a COCCOc1ccc(NC(=O)NCC(O)c2ccc(F)cc2)cc1Cl.,COCCOc1ccc(NC(=O)NCC(O)F)cc1Cl
LogP,Please optimize the molecule COc1ccccc1C(C)NC(=O)N1CCS(=O)(=O)C2CCCCC21 to have a lower LogP value.,COC(C)NC(=O)N1CCS(=O)(=O)C2CCCCC21
MR,Optimize the molecule O=C(N1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCN(S(=O)(=O)c2cccc(F)c2)CC1 to have a lower MR value.,O=C(N1CCNCC1)C1(c2ccccc2)CCN(S(=O)(=O)c2cccc(F)c2)CC1
QED,Modify the molecule COc1ccc(C(=O)C2CC3CCC2O3)c(F)c1 to decrease its QED value.,COc1ccc(C(=O)C2CC3CCC2O3)cc1
AtomNum,"Please generate a molecule with 25 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",COc1ccc(C=CC(=O)Nc2cccc(OCc3ccncc3)c2Cl)cc1CC(C)=O
BondNum,"There is a molecule composed of 16 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCN(C1CCN(C(=O)C([NH3+])c2ccc(C)cc2)CC1)S(C)(=O)=O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amine group.",CC1CCCC(c2ccccc2N)C1
AddComponent,Please add a benzene ring to the molecule CC=CCC(=O)N1CCc2c(c(C(=O)[O-])nn2CCCc2ccccc2)C1.,O=C([O-])c1nn(CCCc2ccccc2)c2c1CN(C(=O)CC=CCc1ccccc1)CC2
SubComponent,Modify the molecule halo by substituting a CN(c1ccc(Br)cc1F)S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 with a thiol.,CN(c1ccc(S)cc1F)S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2
DelComponent,Remove a amine from the molecule COC(=O)C(C)(C)Nc1ccc2ccccc2c1.,COC(=O)C(C)(C)c1ccc2ccccc2c1
LogP,Please optimize the molecule C[NH+]=C(NCC1CC[NH+](Cc2csc(C)n2)CC1)N1CCN(c2cnn(C)c2)C(=O)C1 to have a higher LogP value.,C[NH+]=C(NCC1CC[NH+](Cc2csc(C)n2)CC1)N1CC1c1cnn(C)c1
MR,Modify the molecule O=c1ccnc(Nc2ccc[nH]c2=S)[nH]1 to decrease its MR value.,O=c1ccnc(-c2ccc[nH]c2=S)[nH]1
QED,Please optimize the molecule C=CCNC(=O)C(=O)C(CCC)NC(=O)C1C2C(CN1C(=O)C(NC(=O)NC(CN1C(=O)CCCC1=O)C(C)(C)C)C1(C)CCCCC1)C2(C)C to have a lower QED value.,C=CCNC(=O)C(=O)C(CC=O)(CCC)NC(=O)C1C2C(CN1C(=O)C(NC(=O)NC(CN1C(=O)CCCC1=O)C(C)(C)C)C1(C)CCCCC1)C2(C)C
AtomNum,"The molecule has 35 carbon atoms, 6 oxygen atoms, 6 nitrogen atoms, and 2 fluorine atoms.",COc1cc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4cc(F)ccc4F)ccc3C)CC2)ccc1NC(C)=O
BondNum,"Please generate a molecule consisting 4 single bonds, 1 rotatable bond, and 10 aromatic bonds.",Nc1ccc([S-])c2sc(CO)cc12
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 ester group, 2 amine groups, and 2 halo groups.",Cc1cc(F)ccc1Nc1ccc2c(c1)Oc1cc(Nc3ccc(F)cc3C)ccc1C21OC(=O)c2ccccc21
AddComponent,Add a benzene ring to the molecule CCOc1ccc(-n2c(C)nnc2SC(C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1.,CCOc1ccc(-n2c(C)nnc2SC(C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(OC(C)c3ccccc3)c2)cc1
SubComponent,Modify the molecule COCc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)nc(C(C)(C)C)n1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(NC(=O)NC2CCN(c3cc(COC)nc(C(C)(C)C)n3)CC2)cc1
DelComponent,Please remove a hydroxyl from the molecule CC(C)(C)OC(=O)NC1CCC(O)C(Cc2ccccc2)C1.,CC(C)(C)OC(=O)NC1CCCC(Cc2ccccc2)C1
LogP,Optimize the molecule CCCOc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2cccnc2)cc1 to have a lower LogP value.,CCCOc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2cccnc2O)cc1
MR,Modify the molecule OC(C[NH2+]CCOCC(F)F)c1ccc2c(c1)OCO2 to increase its MR value.,FC(F)COCC[NH2+]CC(S)c1ccc2c(c1)OCO2
QED,Modify the molecule CCNC(NC1CCN(c2ccc(C)cc2)C1)=[NH+]Cc1cccnc1OC to increase its QED value.,CCC(NC1CCN(c2ccc(C)cc2)C1)=[NH+]Cc1cccnc1OC
AtomNum,"There is a molecule with 17 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",COc1ccccc1NC(=O)CSc1nccc(-c2cccs2)n1
BondNum,"The molecule is composed of 16 single bonds, 3 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cccc(OCC(C)C)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",O=C(Cn1c(=O)oc2ccccc21)NC(c1ccccc1)c1ccco1
AddComponent,Modify the molecule Cc1nc(-c2cccc(C(F)(F)F)c2)sc1-c1ccnc(N)n1 by adding a benzene ring.,Cc1nc(-c2cccc(C(F)(F)F)c2)sc1-c1cc(-c2ccccc2)nc(N)n1
SubComponent,Please substitute a halo in the molecule Cc1cc(Cl)cc2sc(N(Cc3ccco3)C(=O)c3ccc([N+](=O)[O-])o3)nc12 with a carboxyl.,Cc1cc(C(=O)[OH])cc2sc(N(Cc3ccco3)C(=O)c3ccc([N+](=O)[O-])o3)nc12
DelComponent,Modify the molecule amide by removing a O=C([O-])Cn1cc(CNC(=O)C2CC2c2cccc(C(F)(F)F)c2)nn1.,CC(Cc1cn(CC(=O)[O-])nn1)c1cccc(C(F)(F)F)c1
LogP,Please optimize the molecule [C-]#[N+]c1ccc(COc2ccc3c(c2)CCN(C(=O)C(=O)OC)C3)cc1 to have a higher LogP value.,[C-]#[N+]c1ccc(C(Oc2ccc3c(c2)CCN(C(=O)C(=O)OC)C3)c2ccccc2)cc1
MR,Modify the molecule Nc1ncnn2c(C[NH+]3CCCOCC3)cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c12 to increase its MR value.,Nc1ncnn2c(C[NH+]3CCCOCC3)cc(-c3ccc(NC(=O)Nc4cccc(C(O)(F)F)c4)c(F)c3)c12
QED,Modify the molecule CCC(C[NH3+])CNc1c(C)cc(C)cc1Cl to have a lower QED value.,CC(=O)c1cc(C)cc(C)c1NCC(CC)C[NH3+]
AtomNum,"There is a molecule consisting of 23 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",C=C(Nc1cccc(F)c1)c1cc(C(=O)c2c(-c3ccccc3Cl)noc2C)c[nH]1
BondNum,"The molecule consists of 7 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",CC[NH2+]CC(C)Oc1cnc2ccccc2c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 3 halo groups, and 1 sulfide group.",COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(OC[NH3+])s3)c2cc1OCCC[NH+](C)C
AddComponent,Add a amine to the molecule CCCC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)NCCc2cn(C)cn2)CC1.,CCCC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)NCCc2cn(CN)cn2)CC1
SubComponent,Please substitute a halo in the molecule Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(C(=O)NC(C(=O)Nc4ccc(C(=O)N5CCC(C)CC5)cc4)C(C)C)CC3)c2)c(F)c1 with a hydroxyl.,Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(C(=O)NC(C(=O)Nc4ccc(C(=O)N5CCC(C)CC5)cc4)C(C)C)CC3)c2)c(O)c1
DelComponent,Remove a COc1ccc(OCC(=O)OCC(=O)N2CC3(C)CC2CC(C)(C)C3)cc1 from the molecule amide.,COc1ccc(OCC(=O)OC23CC(C)(C)CC(C)(C2)C3)cc1
LogP,Optimize the molecule Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C to have a lower LogP value.,Cc1nc2ccc(O)cc2cc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C
MR,Modify the molecule CC#CC1(O)CCC2(Cc3ccccc3)c3ccc(O)cc3CCCC2C1 to increase its MR value.,CC#CC1(O)CC2CCCc3cc(O)ccc3C2(Cc2ccccc2)CC1O
QED,Modify the molecule COCCNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O to decrease its QED value.,COCCNC(=O)CCn1nc(-c2ccc(CO)cc2)ccc1=O
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",COCCC=NOCCC1=C(C)C(=Cc2ccncc2)c2ccc(F)cc21
BondNum,"There is a molecule with 11 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",[NH3+]C(CC(=O)Nc1ccc2c(c1)CCC2)C(=O)[O-]
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 aldehyde group, 1 ester group, and 1 amide group.",C=C(C)C1CCC2(C(=O)NCCc3ccc(C=O)cc3)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(C)C(=O)[O-])C(C)(C)C5CCC43C)C12
AddComponent,Add a nitrile to the molecule CCOC(=O)CN(C(=O)c1ccccc1)c1ccc(N=C(c2ccccc2)c2c(O)[nH]c3ccccc23)cc1.,CCOC(=O)CN(C(=O)c1ccc(C#N)cc1)c1ccc(N=C(c2ccccc2)c2c(O)[nH]c3ccccc23)cc1
SubComponent,Please substitute a halo in the molecule O=[N+]([O-])c1cnc(OCC2CC2)c(Br)c1 with a nitro.,ONc1cc([N+](=O)[O-])cnc1OCC1CC1
DelComponent,Please remove a halo from the molecule [NH3+]C=C(C(=O)[O-])c1nccc(-c2cccc(-c3ccccc3F)c2)n1.,[NH3+]C=C(C(=O)[O-])c1nccc(-c2cccc(-c3ccccc3)c2)n1
LogP,Modify the molecule O=C([O-])c1occc1C1(Cc2ccn(CCCOc3ccc(C4CCCC4)cc3)c(=O)c2)CCCO1 to have a lower LogP value.,O=C([O-])c1occc1C1(Cc2ccn(CCCOC3CCCC3)c(=O)c2)CCCO1
MR,Please optimize the molecule CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccc(C)cc2C)c2ccc(F)cc2)cc1 to have a higher MR value.,CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccc(C)cc2C)c2ccc(S)cc2)cc1
QED,Modify the molecule Cc1cc(-n2ccc(N3CCNC3=O)n2)c2c(n1)N(c1ccc(OC(F)(F)F)cc1C)CC2 to have a lower QED value.,Cc1cc(-n2ccc(N3CCNC3=O)n2)c2c(n1)N(c1ccc(OC(F)(F)NO)cc1C)CC2
AtomNum,"There is a molecule consisting of 14 carbon atoms, 2 nitrogen atoms, 1 fluorine atom, 2 chlorine atoms, and 1 bromine atom.",NNC(Cc1cc(Cl)ccc1F)c1cccc(Br)c1Cl
BondNum,"There is a molecule composed of 11 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CCN1CC(=O)N(Cc2ccnc(N)c2)CC1=O
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,CN(C)c1ccc(C=CC23OC=CN2c2ccc4ccccc4c2C3(C)C)cc1
AddComponent,Please add a hydroxyl to the molecule CCCCCCCCCCCC(CC(=O)[O-])P(=O)([O-])[O-].,CCCCCCC(O)CCCCC(CC(=O)[O-])P(=O)([O-])[O-]
SubComponent,Modify the molecule hydroxyl by substituting a O=C(NC1CCOCC1O)c1cc(Cc2ccc(Cl)cc2)c2cccc(F)c2n1 with a aldehyde.,CC(=O)C1COCCC1NC(=O)c1cc(Cc2ccc(Cl)cc2)c2cccc(F)c2n1
DelComponent,Remove a amide from the molecule CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(NC(C)=O)C(OC4C(O)C(CO)OC(OC5C(NC(C)=O)C(O)OC(CO)C5OC5OC(C)C(O)C(O)C5O)C4O)OC(CO)C3OC3OC(C)C(O)C(O)C3O)C2O)(C(=O)[O-])OC1C(O)C(O)CO.,CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3CC(OC4C(O)C(CO)OC(OC5C(NC(C)=O)C(O)OC(CO)C5OC5OC(C)C(O)C(O)C5O)C4O)OC(CO)C3OC3OC(C)C(O)C(O)C3O)C2O)(C(=O)[O-])OC1C(O)C(O)CO
LogP,Modify the molecule CC([NH2+]CCC1CCCO1)c1cccc(CO)c1 to have a lower LogP value.,CC(CO)[NH2+]CCC1CCCO1
MR,Optimize the molecule COc1ccc(CC(=O)NCCCC(=O)Cl)cc1OC to have a higher MR value.,CC(=O)C(=O)CCCNC(=O)Cc1ccc(OC)c(OC)c1
QED,Modify the molecule COc1cccc(CCC(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1OC to have a higher QED value.,COc1cccc(CCC(=O)Nc2cccc(C=O)c2)c1OC
AtomNum,"The molecule consists of 16 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",COc1ccc(Cl)c(Nc2nc[nH]c3cc(OC)cc(=O)c2-3)c1
BondNum,"There is a molecule consisting of 8 single bonds, 2 double bonds, 5 rotatable bonds, and 10 aromatic bonds.",COc1ccc2c(c1)[nH]c(=S)n2C(C)CCS(C)=O
FunctionalGroup,"Please generate a molecule with 1 ketone group, and 1 amide group.",CCC(=O)CCCCCC(NC(=O)C12CC[NH+](CC1)CC2)c1[nH]c(-c2cc(OC)c3ccccc3n2)c[nH+]1
AddComponent,Modify the molecule COC(C)(C)c1nc(C)c(CC[NH2+]C2CC2)c(C)n1 by adding a hydroxyl.,COC(C)(CO)c1nc(C)c(CC[NH2+]C2CC2)c(C)n1
SubComponent,Please substitute a Cc1c(NC(=S)Nc2cccc(F)c2)cnn1C in the molecule halo with a thiol.,Cc1c(NC(=S)Nc2cccc(S)c2)cnn1C
DelComponent,Modify the molecule COC(=O)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1C by removing a halo.,COC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1C
LogP,Modify the molecule CC(C)CCCC1(O)CCC(C)(C)C1 to have a higher LogP value.,CC(C)CCCC1CCC(C)(C)C1
MR,Optimize the molecule CC(CCCc1ccccc1)C(=O)[S-] to have a higher MR value.,CC(CCCc1ccccc1)(C(=O)[S-])c1ccccc1
QED,Optimize the molecule CCCc1ccc(C(=O)Cc2cnccn2)cc1 to have a lower QED value.,CCCC(=O)Cc1cnccn1
AtomNum,"The molecule is composed of 16 carbon atoms, and 1 silicon atom.",CC1=CCC(C(C)C[SiH2]c2ccccc2)CC1
BondNum,"The molecule is composed of 14 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COP1(OC)(OC)OC(c2ccccc2)=C(C(C)=O)C1c1ccccc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 4 halo groups, 1 thioether group, and 1 sulfide group.",Cn1c(Cn2cc(C(F)(F)F)ccc2=O)nnc1SCC(=O)Nc1ccc(Cl)cc1
AddComponent,Add a hydroxyl to the molecule CC(C)(C)CC(=O)Nc1c(-c2ccccc2)nc2ccccn12.,CC(C)(C)C(O)C(=O)Nc1c(-c2ccccc2)nc2ccccn12
SubComponent,Please substitute a nitrile in the molecule Cc1ccc(-c2csc3ncnc(OCc4ccc(C#N)cc4)c23)cc1 with a aldehyde.,CC(=O)c1ccc(COc2ncnc3scc(-c4ccc(C)cc4)c23)cc1
DelComponent,Please remove a CC(C)[NH+](CC1CC1)C1CCc2ccccc2NC1 from the molecule amine.,CC(C)[NH+](CC1CC1)C1CCc2ccccc2C1
LogP,Modify the molecule Cc1noc(CC[NH2+]CC(=O)NC(C)C(C)C)n1 to decrease its LogP value.,Cc1noc(CC[NH2+]CC(=O)NC(C)C(C)CO)n1
MR,Modify the molecule COc1ccc2nc(CN3CC[NH+](CC(=O)Nc4cccc5ccccc45)CC3)[nH]c2c1 to decrease its MR value.,COc1ccc2nc(CN3CC[NH+](c4cccc5ccccc45)CC3)[nH]c2c1
QED,Modify the molecule [NH3+]C(c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1I to increase its QED value.,N#CC(F)(F)c1ccc(C([NH3+])c2ccc(F)cc2I)cc1
AtomNum,"There is a molecule with 17 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCn1c(O)c(N=NC(=O)c2ccccc2N)c2ccccc21
BondNum,"The molecule contains 9 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C[NH2+]C2Cc3ccccc3C2)ccc1Br
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 2 amine groups.",COc1ccc(NC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)=[NH+]Cc2ccncc2)cc1OC
AddComponent,Add a benzene ring to the molecule Cc1ccoc1C[NH2+]CCCS(C)(=O)=O.,Cc1ccoc1C[NH2+]CCC(c1ccccc1)S(C)(=O)=O
SubComponent,Please substitute a CCCCC1CCC(C(=O)Nc2ccc(F)c(N)c2)CC1 in the molecule halo with a carboxyl.,CCCCC1CCC(C(=O)Nc2ccc(C(=O)[OH])c(N)c2)CC1
DelComponent,Remove a CCO[Si](Cl)(Cl)CCCC#N from the molecule nitrile.,CCC[Si](Cl)(Cl)OCC
LogP,Please optimize the molecule N=c1c2c(ncn1N)Oc1cc(F)cc(F)c1C2c1cccc(N)c1 to have a lower LogP value.,N=c1c2c(ncn1N)Oc1cc(F)cc(F)c1C2N
MR,Optimize the molecule Cc1occc1C(O)c1ccc2c(c1)OCC(C)CO2 to have a higher MR value.,Cc1occc1C(NO)c1ccc2c(c1)OCC(C)CO2
QED,Optimize the molecule CCc1nc(Br)[nH]c1C[NH3+] to have a lower QED value.,CCc1nc(C(=O)[OH])[nH]c1C[NH3+]
AtomNum,"The molecule has 16 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",C=CCNC(=O)N1CC=C(c2c[nH]c3cccnc23)CC1
BondNum,"Please generate a molecule composed of 18 single bonds, 2 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(OC)c(Cl)cc3OC)C2c2ccc(C)cc2)c1
FunctionalGroup,"The molecule has 4 hydroxyl groups, and 1 aldehyde group.",NC(=O)OCC(O)C(O)C(O)C(O)C=O
AddComponent,Please add a amine to the molecule CS(=O)(=O)Nc1cccc(CNCl)c1.,CS(=O)(=O)Nc1cccc(CNCl)c1N
SubComponent,Please substitute a C[NH2+]CC(O)c1cc(C)c2c(ccn2C)c1 in the molecule hydroxyl with a nitrile.,C[NH2+]CC(C#N)c1cc(C)c2c(ccn2C)c1
DelComponent,Please remove a benzene ring from the molecule Cc1cc(C)c(S(=O)(=O)[O-])c(C=Cc2ccccc2)c1.,C=Cc1cc(C)cc(C)c1S(=O)(=O)[O-]
LogP,Please modify the molecule Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(F)c(F)c2)c(C)c1 to decrease its LogP value.,Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(NO)c(F)c2)c(C)c1
MR,Modify the molecule CC(C)c1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)n[nH]1 to have a lower MR value.,CC(C)c1cc(NC(=O)c2cnn(Cc3ccccc3)c2)n[nH]1
QED,Modify the molecule CC1=C(Cl)C(=NC(=O)c2ccc(C)cc2)C(Cl)=C(C)C1=O to have a higher QED value.,CC(=O)C1=C(C)C(=O)C(C)=C(Cl)C1=NC(=O)c1ccc(C)cc1
AtomNum,"There is a molecule consisting of 8 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",NC(=O)CCS(=O)(=O)CCSCC(O)CO
BondNum,"There is a molecule consisting of 11 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",Cn1c[n+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 halo groups.",CC1COCCN1c1nc(-c2cc(Cl)cc(Cl)c2)no1
AddComponent,Modify the molecule CC(C)(C)C([NH3+])C(=O)Nc1ccc2c(c1)OCO2 by adding a amine.,CC(C)(C)C([NH3+])C(=O)Nc1ccc2c(c1)OC(N)O2
SubComponent,Substitute a halo in the molecule CC(C)c1ccc(C(=O)N2CCCCC2)cc1F with a carboxyl.,CC(C)c1ccc(C(=O)N2CCCCC2)cc1C(=O)[OH]
DelComponent,Please remove a halo from the molecule CON(C)C(=O)c1nc(Br)n2ccccc12.,CON(C)C(=O)c1ncn2ccccc12
LogP,Optimize the molecule CCS(=O)c1ccc(Cl)cc1Nn1c(=O)[nH]c2c(Cl)c(CN3CC[NH2+]CC3)c(C(F)(F)F)cc2c1=O to have a higher LogP value.,CCS(=O)c1ccc(Cl)cc1-n1c(=O)[nH]c2c(Cl)c(CN3CC[NH2+]CC3)c(C(F)(F)F)cc2c1=O
MR,Modify the molecule Cc1c(N)cc(OC(F)(F)F)cc1Br to have a lower MR value.,Cc1c(N)cc(OC(F)F)cc1Br
QED,Modify the molecule COCCS(=O)(=O)c1ccc(C(=O)N(C)c2ccc(Br)c(C)c2)cc1 to have a lower QED value.,CC(=O)c1ccc(N(C)C(=O)c2ccc(S(=O)(=O)CCOC)cc2)cc1C
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CC(=O)N(Cc1cccnc1)c1nc2ccc(F)cc2s1
BondNum,"The molecule is composed of 4 single bonds, 1 triple bond, 2 rotatable bonds, and 11 aromatic bonds.",Cc1nnc(Sc2cc(C#N)ccn2)s1
FunctionalGroup,"The molecule contains 1 halo group, 1 thioether group, and 1 sulfide group.",CCC1(n2c(SCC(=O)[O-])nc3ccc(F)cc32)CCC1
AddComponent,Please add a benzene ring to the molecule CCOC(=O)[N-]S(=O)(=O)NCc1cccc(O)c1.,O=C([N-]S(=O)(=O)NCc1cccc(O)c1)OCCc1ccccc1
SubComponent,Substitute a Cc1cccc(-c2ccc(C3C(CO)[NH+]4CCCCN(S(=O)(=O)c5ccc(C(F)(F)F)nc5C)CC34)cc2)c1C in the molecule hydroxyl with a nitro.,Cc1cccc(-c2ccc(C3C(CNO)[NH+]4CCCCN(S(=O)(=O)c5ccc(C(F)(F)F)nc5C)CC34)cc2)c1C
DelComponent,Please remove a amide from the molecule CC(C)C([NH3+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)[O-].,CC(C)C([NH3+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1C(Cc2c[nH]c3ccccc23)CCC1C(=O)[O-]
LogP,Modify the molecule O=C(COc1ccc2ccccc2c1)NNC(=O)Nc1ccc(Cl)cc1 to decrease its LogP value.,O=C(COc1ccc2ccccc2c1)NNC(=O)Nc1ccc(O)cc1
MR,Modify the molecule CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc4ccccc4c3)C2c2ccc(N(CC)CC)cc2)c1 to have a higher MR value.,CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc4ccccc4c3)C2c2ccc(N(CC)CCO)cc2)c1
QED,Modify the molecule O=C(Nc1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 to have a higher QED value.,N#Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1
AtomNum,"The molecule contains 18 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",COc1cc(OC)cc(C2([NH3+])CC(C)(C)CC(C)(C)C2)c1
BondNum,"There is a molecule with 19 single bonds, 1 double bond, 8 rotatable bonds, and 22 aromatic bonds.",COc1n[nH]c2[nH+]cc(-c3ccccc3)c(N3CCN(C(=O)C(C[NH2+]C(C)C)c4ccc(Cl)cc4)CC3)c12
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ketone group, 1 amine group, 1 halo group, and 1 sulfide group.",COc1ccc(C2CC(=O)C3=C(C2)Nc2ccc(Cl)cc2S3)cc1
AddComponent,Please add a carboxyl to the molecule CC(C)[NH+]1CCCC(C[NH3+])C1c1ccc(Br)cc1[N+](=O)[O-].,CC(C)[NH+]1CCCC(C[NH3+])C1c1cc(C(=O)O)c(Br)cc1[N+](=O)[O-]
SubComponent,Modify the molecule halo by substituting a O=C(Cc1csc(-c2ccccc2Cl)n1)NCC#Cc1cccc(C(F)(F)F)c1 with a thiol.,O=C(Cc1csc(-c2ccccc2S)n1)NCC#Cc1cccc(C(F)(F)F)c1
DelComponent,Modify the molecule hydroxyl by removing a Cc1coc2ccc(NC(=O)N3CCCC3C3CC(C)CCC3O)cc12.,Cc1coc2ccc(NC(=O)N3CCCC3C3CCCC(C)C3)cc12
LogP,Please optimize the molecule Cc1nc(SC(C)C(=O)NCc2cccs2)c2c(C)c(C)sc2n1 to have a higher LogP value.,Cc1nc([SH](C)Cc2cccs2)c2c(C)c(C)sc2n1
MR,Please optimize the molecule Fc1ccc(C#CCCOc2ccc(Nc3nc(-c4cccnc4)c(F)s3)cc2C(F)(F)F)cc1 to have a higher MR value.,CC(=O)c1ccc(C#CCCOc2ccc(Nc3nc(-c4cccnc4)c(F)s3)cc2C(F)(F)F)cc1
QED,Modify the molecule COc1ccc(C(c2ccc3ccccc3c2)c2cccc3cccnc23)cc1 to have a higher QED value.,COC(c1ccc2ccccc2c1)c1cccc2cccnc12
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CC[NH2+]Cc1csc(C(C)(C)OCC)n1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCC(C[NH3+])C(=O)c1c(C)c(C)cc(C)c1C
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfide group.",CC(c1nnc(-c2ccccc2F)s1)[NH+]1CCOC(C(N)=O)C1
AddComponent,Add a benzene ring to the molecule C[NH2+]C(c1cc(C)c(Br)s1)C1CCCOC1.,C[NH2+]C(c1cc(C)c(Br)s1)C1CCC(c2ccccc2)OC1
SubComponent,Please substitute a halo in the molecule COc1cc(I)c(I)c(SC)c1 with a nitrile.,COc1cc(C#N)c(I)c(SC)c1
DelComponent,Remove a halo from the molecule Cn1ccc(C(=O)Cn2ccc3c(Br)cccc32)c1.,Cn1ccc(C(=O)Cn2ccc3ccccc32)c1
LogP,Modify the molecule CC[NH2+]CCOCc1ccc(C(=O)OC)o1 to decrease its LogP value.,CC[NH2+]CCOCc1cc(O)c(C(=O)OC)o1
MR,Optimize the molecule COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C(=O)NN4CCC([NH+](C)C)CC4)cc3C)cc2)cc1N1CC[NH+](C)CC1 to have a lower MR value.,COc1ccc(S(=O)(=O)c2ccc(-c3ccc(C(=O)NN4CCC([NH+](C)C)CC4)cc3C)cc2)cc1N1CC[NH+](C)CC1
QED,Please modify the molecule Clc1ccc(CNc2ccc(-n3cccn3)nc2)o1 to decrease its QED value.,O=C(O)c1nc(-n2cccn2)ccc1NCc1ccc(Cl)o1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1nccc(OC2CCCN(C(=O)c3c(C)noc3C)C2)n1
BondNum,"Please generate a molecule composed of 23 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1(C)CCC(OC(=O)C=Cc2ccc(O)cc2)C2(C)C3C(=CCC12)COC3O
FunctionalGroup,Please generate a molecule consisting and 1 sulfone group.,Cc1cn(C(C)CCC2(OS(C)(=O)=O)CC2)c(=O)[nH]c1=O
AddComponent,Add a benzene ring to the molecule CC1CCCC(C([NH3+])c2cccc(I)c2)C1.,CC1CCCC(C([NH3+])c2cccc(I)c2)C1c1ccccc1
SubComponent,Modify the molecule halo by substituting a NC(=O)C[NH+](CC(N)=O)Cc1ccc(F)c(C(N)=S)c1 with a hydroxyl.,NC(=O)C[NH+](CC(N)=O)Cc1ccc(O)c(C(N)=S)c1
DelComponent,Remove a CCCNc1cccc(OC(C)C(F)(F)F)n1 from the molecule amine.,CCCc1cccc(OC(C)C(F)(F)F)n1
LogP,Modify the molecule CC(C(=O)N(C)CCC#N)[NH+](C)CC(C)(C)O to increase its LogP value.,CC(C(=O)N(C)CCC#N)[NH+](C)CC(C)(O)Cc1ccccc1
MR,Optimize the molecule O=c1c2ccccc2nc(SCCOc2cccc([N+](=O)[O-])c2)n1C1CCCC1 to have a lower MR value.,O=c1c2ccccc2nc(SCCO[N+](=O)[O-])n1C1CCCC1
QED,Modify the molecule CSc1c(C)sc2c(C(=O)[O-])cccc12 to have a lower QED value.,CSc1c(C)sc2c(C(=O)[O-])ccc(-c3ccccc3)c12
AtomNum,"The molecule has 27 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",C=CCOC(=O)C1C2CCC3(O2)C1C(=O)N(CCCCCO)C3C(=O)N(CC=C)c1ccccc1Cl
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",O=C(C[NH2+]C1CC1)OCc1cccs1
FunctionalGroup,Please generate a molecule composed of and 1 hydroxyl group.,Cc1cc(N(C)C)cc(C2C[NH+](CC3(O)CCOCC3)CCO2)[nH+]1
AddComponent,Please add a hydroxyl to the molecule Clc1nc(Cl)nc(Nc2ccc(OCc3ccccc3)cc2)n1.,Oc1cc(OCc2ccccc2)ccc1Nc1nc(Cl)nc(Cl)n1
SubComponent,Substitute a Cc1ccc(=O)n(C2COCC2NC(=O)c2ccc(Cl)s2)n1 in the molecule halo with a thiol.,Cc1ccc(=O)n(C2COCC2NC(=O)c2ccc(S)s2)n1
DelComponent,Remove a O=C(NN1CCOCC1)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2CO)nc1 from the molecule hydroxyl.,Cc1onc(-c2ccc(F)c(F)c2)c1COc1ccc(C(=O)NN2CCOCC2)cn1
LogP,Please modify the molecule C[NH2+]CC(CO)c1cccc(O)c1 to increase its LogP value.,C[NH2+]CC(CF)c1cccc(O)c1
MR,Modify the molecule COc1ccc(C[NH2+]Cc2ccc(Cl)cc2)c(Cl)c1OC to decrease its MR value.,COc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1OC
QED,Please optimize the molecule O=S(=O)(Nc1ccc(CCl)cc1)c1ccn[nH]1 to have a lower QED value.,NC(Cl)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1
AtomNum,"The molecule contains 20 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CSc1ccc(C)c(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, 4 rotatable bonds, and 17 aromatic bonds.",O=S(=O)(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1cc(Cl)c(Cl)cc1Cl
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,C=CC=Cc1cc2c3ccccc3c3c(c4ccccc4n3-c3ccccc3)c2c2c3ccccc3n(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)c12
AddComponent,Please add a carboxyl to the molecule CCN(C(=O)c1n[nH]c(C)n1)C(C)CC(=O)[O-].,CCN(C(=O)c1n[nH]c(C)n1)C(CC(=O)[O-])CC(=O)O
SubComponent,Modify the molecule hydroxyl by substituting a OCc1cncc(N2C3CCC2CC(O)C3)n1 with a nitrile.,N#CCc1cncc(N2C3CCC2CC(O)C3)n1
DelComponent,Please remove a benzene ring from the molecule COP(=O)([O-])Oc1ccc(C#N)cc1.,COP(=O)([O-])OC#N
LogP,Please optimize the molecule CCC(=O)N1CCOCC1Nc1cc[nH+]c(-c2cc(-c3c(Cl)cccc3Cl)no2)c1 to have a lower LogP value.,CC(=O)c1cccc(Cl)c1-c1cc(-c2cc(NC3COCCN3C(=O)CC)cc[nH+]2)on1
MR,Modify the molecule CNc1nc(Cl)nc(N2CCCCC2)n1 to have a higher MR value.,CC(=O)c1nc(NC)nc(N2CCCCC2)n1
QED,Modify the molecule CC(C)c1nnc(NCC2(CO)CC3(CCC3)C2)s1 to decrease its QED value.,CC(C)c1nnc(NCC2(CO)CC3(CCC3c3ccccc3)C2)s1
AtomNum,"The molecule consists of 18 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1cc(C(=O)NNC(=O)c2ccc(C)cc2C)ccc1C
BondNum,"There is a molecule with 18 single bonds, 4 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cnn(C)c3)CC2)cc1OC
FunctionalGroup,"Please generate a molecule with 2 hydroxyl groups, and 1 halo group.",OC1C(CI)OC(C23CC4CC(CC(C4)C2)C3)C1O
AddComponent,Add a hydroxyl to the molecule Cc1cccc(CC(=O)N2CCC(C(=O)NCc3ccncc3)CC2)c1.,Cc1cccc(CC(=O)N2CCC(C(=O)NCc3ccncc3O)CC2)c1
SubComponent,Substitute a halo in the molecule CCCCC1C(=O)N2CC(O)CC2C(=O)NC(CC(N)=O)C(=O)NC(C(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)N2CCCCC2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCC[NH3+])C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)NC(Cc2cc(F)c(F)c(F)c2)C(=O)N(C)C(Cc2ccccc2)C(=O)N1C with a nitrile.,CCCCC1C(=O)N2CC(O)CC2C(=O)NC(CC(N)=O)C(=O)NC(C(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)N2CCCCC2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCC[NH3+])C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)NC(Cc2cc(F)c(F)c(C#N)c2)C(=O)N(C)C(Cc2ccccc2)C(=O)N1C
DelComponent,Please remove a benzene ring from the molecule O=C1CN(c2ccc3nc[nH]c3c2)N=C1SCc1ccccc1.,CSC1=NN(c2ccc3nc[nH]c3c2)CC1=O
LogP,Modify the molecule Nc1nc(-c2ccc3c(c2)OCCO3)c(-c2nccc(=O)[nH]2)s1 to increase its LogP value.,O=c1ccnc(-c2scnc2-c2ccc3c(c2)OCCO3)[nH]1
MR,Modify the molecule N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C1=[NH+]C(=O)C2C=C(Cl)C=CC2=N1 to have a higher MR value.,N#CC(=Cc1cc(O)c(-c2ccc(F)cc2)o1)C1=[NH+]C(=O)C2C=C(Cl)C=CC2=N1
QED,Please optimize the molecule CCCC#CC1(C(F)(F)F)OC(=O)Nc2ccc(F)c(F)c21 to have a higher QED value.,CCCC#CC1(C(F)F)OC(=O)Nc2ccc(F)c(F)c21
AtomNum,"The molecule is composed of 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CN(C(=O)Cc1ccc(Br)cc1)c1cccc(C(N)=S)c1
BondNum,"The molecule has 15 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",O=C([O-])c1nn(C2CCCC(C(=O)[O-])C2)c2c1CSc1ccccc1-2
FunctionalGroup,The molecule is composed of and 5 benzene ring groups.,c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccc6c(ccn6-c6ccccc6)c4n5-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
AddComponent,Please add a hydroxyl to the molecule CCCNC1(C#N)CCCC([NH+]2CC(C)N(C)C(C)C2)C1.,CCCNC1(C#N)CCCC([NH+]2CC(C)N(C)C(C)C2O)C1
SubComponent,Please substitute a nitrile in the molecule N#Cc1cccc(-c2ccc3c(=O)[nH]c([O-])c(C=NCc4ccc(S(N)(=O)=O)cc4)c3c2)c1 with a hydroxyl.,NS(=O)(=O)c1ccc(CN=Cc2c([O-])[nH]c(=O)c3ccc(-c4cccc(O)c4)cc23)cc1
DelComponent,Remove a benzene ring from the molecule C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1.,C=CCN(c1ccc(OC)cc1)S(=O)(=O)F
LogP,Please modify the molecule CCc1cccc2c1OCCC2NC(=O)N1CC2(CCCO2)C1C1CC1 to increase its LogP value.,CCc1cccc2c1OCCC2NC(=O)N1CC2(OCCC2c2ccccc2)C1C1CC1
MR,Modify the molecule Nc1ccc(NCc2ccc(F)cc2F)nc1N to increase its MR value.,Nc1nc(NCc2ccc(F)cc2F)cc(O)c1N
QED,Modify the molecule O=C1OC(c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c2c(Cl)cccc21 to decrease its QED value.,O=C1OC(c2ccccc2)(c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c2c(Cl)cccc21
AtomNum,"The molecule consists of 28 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",CCOc1ccc(C(c2ccc(C#N)cc2)[NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)C2)cc1
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 7 rotatable bonds, and 10 aromatic bonds.",CCC(C(=O)[O-])n1c(COC)nc2cc(OC)c(OC)cc21
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, 1 amide group, 1 halo group, 1 thioether group, and 2 sulfide groups.",COC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2)sc2ccccc12
AddComponent,Modify the molecule CCC[NH2+]CCC(C)(C)C1CCCCCC1 by adding a benzene ring.,CCC[NH2+]CCC(C)(C)C1CCCCC(c2ccccc2)C1
SubComponent,Please substitute a COc1ccc(N)cc1S(=O)(=O)Nc1ncnc(Cl)c1Cl in the molecule halo with a aldehyde.,CC(=O)c1ncnc(NS(=O)(=O)c2cc(N)ccc2OC)c1Cl
DelComponent,Please remove a CCCn1c(SC(C)C(=O)Nc2ccc(F)c(Cl)c2)n[nH]c1=O from the molecule benzene ring.,CCCn1c(SC(C)C(=O)N(F)Cl)n[nH]c1=O
LogP,Optimize the molecule Cc1cc(C(=O)NC2CCC(F)(F)CC2)c2[nH]ncc2c1 to have a lower LogP value.,Cc1cc(C(=O)NC2CCC(F)CC2)c2[nH]ncc2c1
MR,Modify the molecule Fc1ccc(NC(c2ccc(F)cc2)c2nccc3ccccc23)cc1 to increase its MR value.,O=C(O)c1cc(F)ccc1C(Nc1ccc(F)cc1)c1nccc2ccccc12
QED,Modify the molecule CCN(CC1CCC1)c1ccc(C=O)cc1 to increase its QED value.,CCN(CC1CCC1)c1ccc(C=O)cc1-c1ccccc1
AtomNum,"The molecule consists of 18 carbon atoms, and 1 nitrogen atom.",C(=Cc1ccccc1)CC1CCCC[NH+]1CC1CC1
BondNum,"The molecule consists of 10 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C(F)(F)F)cc1-c1c(Cl)ccc(Cl)c1Cl
FunctionalGroup,Please generate a molecule composed of and 3 ester groups.,CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC
AddComponent,Add a amine to the molecule CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccc2c(c1)OCO2.,CN(CN)c1nc(N2CCCC2)ncc1NC(=O)c1ccc2c(c1)OCO2
SubComponent,Substitute a halo in the molecule CC(C)Oc1ccc(CCC[NH2+]CCCO)cc1Br with a aldehyde.,CC(=O)c1cc(CCC[NH2+]CCCO)ccc1OC(C)C
DelComponent,Please remove a amine from the molecule CC1CCCCN1S(=O)(=O)NCC1([NH+]2CCOCC2)CCOCC1.,CC1CCCCN1S(=O)(=O)CC1([NH+]2CCOCC2)CCOCC1
LogP,Optimize the molecule Cc1nc(C)c(-c2nnc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)o2)s1 to have a higher LogP value.,CC(=O)c1ccc(N2CCN(C(=O)CSc3nnc(-c4sc(C)nc4C)o3)CC2)cc1
MR,Modify the molecule Cc1cc(N)cc(CCN2C(=O)c3ccccc3C2=O)c1 to have a higher MR value.,Cc1cc(N)cc(CCN2C(=O)c3ccc(O)cc3C2=O)c1
QED,Modify the molecule COc1cccc(-n2cccc2C(=O)C(=O)N(C)C)c1C#N to decrease its QED value.,CC(=O)c1c(OC)cccc1-n1cccc1C(=O)C(=O)N(C)C
AtomNum,"Please generate a molecule with 16 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 2 fluorine atoms, and 1 chlorine atom.",CC(O)(CNc1ccccc1S(=O)(=O)C(F)F)c1cccc(Cl)c1
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",CC(=O)NCc1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C
FunctionalGroup,"Please generate a molecule composed of 1 halo group, and 1 sulfide group.",COc1ccsc1C([NH3+])c1c(Br)cnn1CC[NH+](C)C
AddComponent,Modify the molecule COc1nc(CO)ccc1-c1cccnc1 by adding a benzene ring.,COc1nc(CO)ccc1-c1cncc(-c2ccccc2)c1
SubComponent,Modify the molecule OCCCn1c(C2CCOCC2)nc2cccnc21 by substituting a hydroxyl with a nitrile.,N#CCCCn1c(C2CCOCC2)nc2cccnc21
DelComponent,Remove a amide from the molecule CCCN1CC[NH2+]C(CC(=O)OCC)C1=O.,CCOC(=O)CC(CC)C1C[NH2+]1
LogP,Please optimize the molecule CC(C)(C)C1CCN(C(=O)C2OCC3COCCC32)CC1O to have a higher LogP value.,CC(C)(C)C1CCN(C(=O)C2OCC3COCCC32)CC1C#N
MR,Modify the molecule SCCCCCCOc1cnc2ccccc2c1 to increase its MR value.,CC(=O)CCCCCCOc1cnc2ccccc2c1
QED,Optimize the molecule CCC(=O)c1cccc(NC(=O)C2CC[NH2+]C(C)C2)c1 to have a lower QED value.,CCC(=O)NC(=O)C1CC[NH2+]C(C)C1
AtomNum,"The molecule is composed of 17 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1cc(Cl)ccn1)C2=O
BondNum,"Please generate a molecule consisting 10 single bonds, 3 double bonds, 1 triple bond, 8 rotatable bonds, and 5 aromatic bonds.",C#CCCC(=O)c1sccc1CCC=CCC(=O)[O-]
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ketone group, and 4 halo groups.",COCCC(C)C(=O)c1ccc(Br)c(C(F)(F)F)c1
AddComponent,Please add a benzene ring to the molecule CCOC(=O)c1cccn2nc(-c3cccc(C)n3)c(-c3ccc(F)cc3)c12.,CCOC(=O)c1cccn2nc(-c3nc(C)ccc3-c3ccccc3)c(-c3ccc(F)cc3)c12
SubComponent,Substitute a CC(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1C(C)C in the molecule halo with a nitro.,CC(=O)N(CC(=O)NCc1ccc(NO)cc1)c1ccccc1C(C)C
DelComponent,Modify the molecule c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3Oc3ccccc3-4)c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)cc2)cc1 by removing a benzene ring.,c1ccc(N(c2ccc3c(c2)-c2ccccc2Oc2ccccc2-3)c2ccc3c(c2)-c2ccccc2-c2ccccc2C32c3ccccc3-c3cc4ccccc4cc32)cc1
LogP,Please modify the molecule CN(Cc1ccccc1F)C(=O)CCNC(=O)c1ccsc1 to decrease its LogP value.,CN(CF)C(=O)CCNC(=O)c1ccsc1
MR,Optimize the molecule CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N)cc1 to have a lower MR value.,CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1
QED,Optimize the molecule CCCc1nc(C(=O)[O-])nn1-c1cccc(Br)c1 to have a lower QED value.,CC(=O)c1cccc(-n2nc(C(=O)[O-])nc2CCC)c1
AtomNum,"There is a molecule composed of 14 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCCOc1cccc(SC(C(=O)[O-])C(C)C)c1[N+](=O)[O-]
BondNum,"Please generate a molecule composed of 15 single bonds, 2 double bonds, and 1 rotatable bond.",CC1=NN(C2CC[NH2+]CC2)C(=O)C12CC2
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 amide group, 2 amine groups, and 1 sulfide group.",NC(=O)C(O)CNc1snc(N)c1-c1ccncc1
AddComponent,Please add a amine to the molecule CNc1cc(Nc2c(F)cccc2Br)nc(C(F)(F)F)n1.,CNc1cc(Nc2c(F)ccc(N)c2Br)nc(C(F)(F)F)n1
SubComponent,Modify the molecule halo by substituting a C[NH+]1C2CCC1c1c(n(CCCc3ccc(C(F)(F)F)nc3)c3ccc(Cl)cc13)C2 with a hydroxyl.,C[NH+]1C2CCC1c1c(n(CCCc3ccc(C(O)(F)F)nc3)c3ccc(Cl)cc13)C2
DelComponent,Modify the molecule halo by removing a C[NH2+]CC(=O)NC(C)(C)c1ccc(Br)cc1.,C[NH2+]CC(=O)NC(C)(C)c1ccccc1
LogP,Modify the molecule Cn1nccc1S(=O)(=O)NC1(c2ccc(F)cc2)CC1 to have a lower LogP value.,O=S(=O)(NC1(c2ccc(F)cc2)CC1)c1ccnn1CO
MR,Please modify the molecule COc1cc(SC)ccc1C(=O)NN1CCCCC1 to increase its MR value.,COc1cc(SC)ccc1C(=O)NN1CCCC(N)C1
QED,Please optimize the molecule Cc1ccc(NC(=O)CN2NC(=O)CC23CCCCC3)cc1C to have a lower QED value.,Cc1cc(NC(=O)CN2NC(=O)CC23CCCCC3)ccc1Cc1ccccc1
AtomNum,"The molecule consists of 12 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 chlorine atoms.",O=C([O-])c1ccc(Cl)c(Cn2nnn(C3CC3)c2=O)c1Cl
BondNum,"Please generate a molecule with 10 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCCc1nc(Cl)cc(Nc2ccc(C)c(N(C)C)c2)n1
FunctionalGroup,Please generate a molecule composed of and 3 amide groups.,O=C(CCN1C(=O)C2CCCCC2C1=O)NCCC1CCCO1
AddComponent,Modify the molecule COCC(Cl)CCNC(=O)c1ccc(Cl)c(Br)c1 by adding a benzene ring.,O=C(NCCC(Cl)COCc1ccccc1)c1ccc(Cl)c(Br)c1
SubComponent,Modify the molecule hydroxyl by substituting a CCC1COCC[NH+]1CC(O)C[NH2+]CC(C)C with a carboxyl.,CCC1COCC[NH+]1CC(C[NH2+]CC(C)C)C(=O)[OH]
DelComponent,Modify the molecule thiol by removing a CC[NH+](CC)CCCCCS.,CCCCC[NH+](CC)CC
LogP,Please modify the molecule Cn1c(Cl)c[nH+]c1C(O)c1c(Cl)ccc(F)c1F to decrease its LogP value.,CC(=O)c1c[nH+]c(C(O)c2c(Cl)ccc(F)c2F)n1C
MR,Please optimize the molecule CC(C=CC1=C(C)CCCC1(C)C)=N[NH+]=C(N)N to have a higher MR value.,CC(C=C(C1=C(C)CCCC1(C)C)c1ccccc1)=N[NH+]=C(N)N
QED,Optimize the molecule CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1 to have a higher QED value.,CC(C)NS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",COC1CC(c2nnc3cnccn23)[NH+](Cc2cc[nH]c2)C1
BondNum,"There is a molecule consisting of 21 single bonds, 3 double bonds, 10 rotatable bonds, and 17 aromatic bonds.",COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CC[NH+]1CCOC(=O)C1C
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 halo group.",CC(C)c1ccc(C(=O)N(C)C(C)(C)CBr)cc1
AddComponent,Add a hydroxyl to the molecule Cc1cc(C(Cl)c2cc(Br)c(C)s2)ccc1Br.,Cc1cc(C(Cl)c2cc(Br)c(C)s2)cc(O)c1Br
SubComponent,Please substitute a halo in the molecule CCCn1c(SCC(=O)c2ccc(NC(C)=O)cc2F)n[nH]c1=O with a nitro.,CCCn1c(SCC(=O)c2ccc(NC(C)=O)cc2NO)n[nH]c1=O
DelComponent,Modify the molecule hydroxyl by removing a O=C(NCC1CC(c2ncn[nH]2)CC1O)c1ccc(Cl)cc1F.,O=C(NCC1CCC(c2ncn[nH]2)C1)c1ccc(Cl)cc1F
LogP,Please optimize the molecule CCCCCN(C)c1ccc(Cn2c(C)nc3ccc(C(=O)OCC)cc32)c(Cl)c1 to have a lower LogP value.,CC(=O)c1cc(N(C)CCCCC)ccc1Cn1c(C)nc2ccc(C(=O)OCC)cc21
MR,Modify the molecule Nc1cccc(C(=O)N2CCc3sccc3C2)c1Br to decrease its MR value.,N#Cc1c(N)cccc1C(=O)N1CCc2sccc2C1
QED,Optimize the molecule O=[N+]([O-])c1cc(Br)c(Oc2cc(F)cc(CO)c2)c(Br)c1 to have a lower QED value.,ONCc1cc(F)cc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)c1
AtomNum,"The molecule contains 14 carbon atoms, and 1 nitrogen atom.",Cc1cc(-c2ccccc2)ccc1C#N
BondNum,"Please generate a molecule with 11 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC(C)OC(=O)COc1ccc([N+](=O)[O-])cc1CO
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, 2 halo groups, and 1 sulfone group.",CONS(=O)(=O)c1c(Cl)cccc1NC(=O)c1cc2ccccc2nc1Oc1ccc(Cl)cc1OC
AddComponent,Modify the molecule CNC(=O)c1cc(OCC2CCC[NH2+]2)ccn1 by adding a benzene ring.,CNC(=O)c1cc(OCC2CCC[NH2+]2)cc(-c2ccccc2)n1
SubComponent,Please substitute a halo in the molecule O=C(C1COc2ccc(Cl)cc2C1)N1CCC(N2CCCS2(=O)=O)CC1 with a nitrile.,N#Cc1ccc2c(c1)CC(C(=O)N1CCC(N3CCCS3(=O)=O)CC1)CO2
DelComponent,Please remove a OC1CCC([NH2+]C2c3ccccc3CCc3ccccc32)CC1 from the molecule hydroxyl.,c1ccc2c(c1)CCc1ccccc1C2[NH2+]C1CCCCC1
LogP,Optimize the molecule C[NH+]=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1ccc2c(c1)OCO2 to have a lower LogP value.,C[NH+]=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc2c(c1)OCO2
MR,Modify the molecule O=C(c1ccncc1Cl)N1CCCCCC1 to have a higher MR value.,O=C(c1ccncc1Cl)N1CCCC(c2ccccc2)CC1
QED,Please modify the molecule COc1ncc(-c2csc(Nc3ccc(CCCCCc4ccccc4)c(C(F)(F)F)c3)n2)cn1 to decrease its QED value.,COc1ncc(-c2csc(Nc3cc(N)c(CCCCCc4ccccc4)c(C(F)(F)F)c3)n2)cn1
AtomNum,"The molecule contains 12 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",NC(=O)CCCCn1c(=S)[nH]c2c(F)cccc21
BondNum,"There is a molecule consisting of 8 single bonds, 5 rotatable bonds, and 16 aromatic bonds.",COc1ccc(OC)c(-n2nnc(CO)c2-c2ccco2)c1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 2 hydroxyl groups, and 1 amide group.",Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCC([NH+](C)C)C4)cc3)cc2S(C)(O)O)cc1
AddComponent,Please add a hydroxyl to the molecule CCOc1ccc(NN)cc1I.,CCOc1ccc(NN)c(O)c1I
SubComponent,Modify the molecule C[N+]1=C(C=Nc2c(O)cc(N3CCCCC3)c3ccccc23)C(C)(C)c2ccccc21 by substituting a hydroxyl with a carboxyl.,C[N+]1=C(C=Nc2c(C(=O)[OH])cc(N3CCCCC3)c3ccccc23)C(C)(C)c2ccccc21
DelComponent,Remove a hydroxyl from the molecule OCC[NH+]1CCCC1I.,CC[NH+]1CCCC1I
LogP,Modify the molecule COc1cccc(C(=O)Nc2ccc(F)c(NC(=O)CCNC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)Nc5ccccc5F)c4C)CC3)c2)c1 to have a lower LogP value.,COc1cccc(C(=O)Nc2ccc(F)c(NC(=O)CCNC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)Nc5ccccc5)c4C)CC3)c2)c1
MR,Please optimize the molecule CCCNC(=O)C(CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O to have a lower MR value.,CCCNC(=O)C(CC)N(Cc1ccccc1Cl)C(=O)CN(C(C)C)S(C)(=O)=O
QED,Modify the molecule CC(NC(=O)OC(C)(C)C)c1cnc(F)cc1I to increase its QED value.,CC(NC(=O)OC(C)(C)C)c1cnc(O)cc1I
AtomNum,"There is a molecule composed of 18 carbon atoms, 1 oxygen atom, and 7 nitrogen atoms.",Cc1ccc(-n2nnnc2N2CCC([NH+]3CCCC3C(N)=O)CC2)cc1
BondNum,"Please generate a molecule with 12 single bonds, 2 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1C
FunctionalGroup,"There is a molecule consisting of 1 amine group, 1 halo group, 1 nitrile group, 1 sulfide group, and 1 sulfone group.",N#Cc1c(Cl)nsc1NCCCN1CCS(=O)(=O)CC1
AddComponent,Add a benzene ring to the molecule CCNc1ncc(C)c(N(C)Cc2cnn(C)c2)n1.,Cc1cnc(NCCc2ccccc2)nc1N(C)Cc1cnn(C)c1
SubComponent,Substitute a hydroxyl in the molecule Cc1cc(Cl)c(O)c(C2([NH3+])CC2)c1 with a thiol.,Cc1cc(Cl)c(S)c(C2([NH3+])CC2)c1
DelComponent,Please remove a halo from the molecule CCCCCC1CCC(c2cc(F)c(C3CCC(C(F)(F)Cc4cc(F)c(OC(F)F)c(F)c4)CC3)c(F)c2)CC1.,CCCCCC1CCC(c2cc(F)c(C3CCC(C(F)Cc4cc(F)c(OC(F)F)c(F)c4)CC3)c(F)c2)CC1
LogP,Modify the molecule COc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3)o2)cc1 to decrease its LogP value.,COc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3)o2)c(O)c1
MR,Modify the molecule Cc1ccc(F)c(NC(=O)c2cc(Cn3nc([N+](=O)[O-])cc3C)cs2)c1 to have a higher MR value.,Cc1ccc(F)c(NC(=O)c2cc(Cn3nc([N+](=O)[O-])cc3Cc3ccccc3)cs2)c1
QED,Please optimize the molecule COc1cc(CSc2nnc(N)s2)ccc1SC to have a lower QED value.,COc1cc(CSc2nncs2)ccc1SC
AtomNum,"There is a molecule consisting of 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 iodine atom.",COc1cc(Oc2ccc(I)cc2)ccn1
BondNum,"There is a molecule with 17 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",Cc1c(OC2CN(C(=O)[O-])CC2(F)C(C)(C)C)nn(-c2ccccc2)c1N
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 halo group.",CC(C)COc1ccc(C2=C(O)C(=O)N(c3cccc(Br)c3)C2c2ccc(N(C)C)cc2)cc1
AddComponent,Modify the molecule Cc1c(CC(=O)[O-])nnn1-c1ccccn1 by adding a nitrile.,Cc1c(CC(=O)[O-])nnn1-c1ccc(C#N)cn1
SubComponent,Please substitute a hydroxyl in the molecule OC(COc1cccc2ccc3cccnc3c12)c1cccc2ccc3cccnc3c12 with a nitrile.,N#CC(COc1cccc2ccc3cccnc3c12)c1cccc2ccc3cccnc3c12
DelComponent,Modify the molecule CCN(C(=O)C1CC1C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 by removing a amide.,CCN(C(=O)C12CCC(Cc3ccccc3)CC1C2)c1ccccc1
LogP,Modify the molecule C[NH2+]C1CCCCC1Cc1ncnn1CC(C)C to have a lower LogP value.,C[NH2+]C1(O)CCCCC1Cc1ncnn1CC(C)C
MR,Please optimize the molecule OCc1ccc2cc(Cl)sc2c1CCl to have a higher MR value.,SCc1ccc2cc(Cl)sc2c1CCl
QED,Please modify the molecule Cc1nc(CN(C)S(=O)(=O)c2ccc(Cl)c(N)c2)n[nH]1 to decrease its QED value.,Cc1nc(CN(C)S(=O)(=O)c2ccc(C#N)c(N)c2)n[nH]1
AtomNum,"Please generate a molecule with 20 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 4 fluorine atoms.",O=C(NCCc1ccc(F)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1
BondNum,"The molecule is composed of 10 single bonds, 1 double bond, 6 rotatable bonds, and 17 aromatic bonds.",COc1ccc(C(=O)Nc2nnc(-c3ccccc3OC)o2)cc1OC
FunctionalGroup,The molecule contains and 1 benzene ring group.,CC(NC(=O)OCc1ccccc1)C1CCC=CO1
AddComponent,Modify the molecule CN=Cc1ccc(-c2cc3n(n2)C(C)CN(CC(=O)N(C)CCC#N)C3=O)c(NC(=O)CO)c1 by adding a hydroxyl.,CN=Cc1ccc(-c2cc3n(n2)C(C)CN(CC(=O)N(C)CCC#N)C3=O)c(NC(=O)CO)c1O
SubComponent,Please substitute a CCCOc1c(Cl)cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OCC in the molecule halo with a nitrile.,CCCOc1c(C#N)cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OCC
DelComponent,Modify the molecule halo by removing a COCCN(C)c1ccc(NC(=O)c2nc(-c3ccccc3Br)oc2C(F)(F)F)cn1.,COCCN(C)c1ccc(NC(=O)c2nc(-c3ccccc3Br)oc2C(F)F)cn1
LogP,Please modify the molecule Cc1cc(C(=O)N2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)no1 to increase its LogP value.,Cc1cc(C(=O)N2CCOc3c(cc(-c4csc5ccccc45)cc3NO)C2)no1
MR,Modify the molecule CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccccc1C to have a higher MR value.,CCn1c(SCc2nc(-c3ccc(NO)cc3)no2)nnc1-c1ccccc1C
QED,Optimize the molecule CS(=O)(=O)c1ccc2nc(-c3sccc3N)[nH]c2c1 to have a higher QED value.,CS(=O)(=O)c1ccc2nc(-c3cccs3)[nH]c2c1
AtomNum,"Please generate a molecule with 23 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 2 sulfur atoms.",Cc1nnc(SCC(=O)Nc2ccccc2SC2CCCC2)n1Cc1ccccc1
BondNum,"The molecule contains 11 single bonds, 3 double bonds, and 2 rotatable bonds.",C[NH+]1CCN(C(=O)CS(N)(=O)=O)CC1
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,COc1cccc(N2CCCC(NC(=O)N(C)CCC(=O)[O-])C2)c1
AddComponent,Add a hydroxyl to the molecule Cc1ccc(Oc2ncns2)c(N)c1.,Cc1cc(N)c(Oc2ncns2)cc1O
SubComponent,Modify the molecule CCC1CCCCC1C([NH3+])c1cc(C(F)(F)F)ccc1F by substituting a halo with a thiol.,CCC1CCCCC1C([NH3+])c1cc(C(F)(F)S)ccc1F
DelComponent,Remove a thiol from the molecule CC1(S)NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)N1[NH3+].,CC1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)N1[NH3+]
LogP,Modify the molecule C[NH2+]CCNC(=O)C(CCNC(=O)C(CC[NH3+])[NH2+]C)[NH2+]C to have a higher LogP value.,C[NH2+]CCNC(=O)C(CCC(C[NH3+])[NH2+]C)[NH2+]C
MR,Modify the molecule C[NH+]=C(NCCCc1nn(-c2ccccc2)c(N)c1C#N)NC(C)C(C)C to have a lower MR value.,C[NH+]=C(NCCCc1cc(N)n(-c2ccccc2)n1)NC(C)C(C)C
QED,Modify the molecule C=C(C)CCC(O)c1cc(F)ccc1C to have a lower QED value.,CC(=O)c1ccc(C)c(C(O)CCC(=C)C)c1
AtomNum,"There is a molecule composed of 11 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCCn1cncc1C(CCO)[NH2+]CC
BondNum,"The molecule contains 5 single bonds, 3 rotatable bonds, and 18 aromatic bonds.",COc1ccc(O)c(-c2ccc(-c3ccccc3)cc2)c1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,CCC1(c2ccc(OC)cc2OC)COC(C)(C)C[NH2+]1
AddComponent,Please add a hydroxyl to the molecule CCCCCCCCC=CCCCCCCCC[NH+](C)CC.,CCCCCCCCC=CCCCCCCCC[NH+](C)C(C)O
SubComponent,Please substitute a halo in the molecule CCOc1cccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 with a hydroxyl.,CCOc1cccc(NC(=S)NCc2ccc(OCc3ccc(O)cc3)cc2)c1
DelComponent,Remove a halo from the molecule Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(Cl)cc1.,Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccccc1
LogP,Modify the molecule Cc1c(C(=O)Nc2ncc(C#CCCO)s2)cnn1C to increase its LogP value.,Cc1c(C(=O)Nc2ncc(C#CCCC(=O)[OH])s2)cnn1C
MR,Optimize the molecule COc1cccc2c1nc1[nH]c(CC(=O)[O-])c(Br)n12 to have a lower MR value.,COc1cccc2c1nc1[nH]c(CC(=O)[O-])cn12
QED,Optimize the molecule OC1CC[NH2+]C(Cc2cccs2)C1 to have a higher QED value.,c1csc(CC2CCCC[NH2+]2)c1
AtomNum,"The molecule is composed of 13 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",C=CCN(C(=O)N1CCCC1CC(=O)[O-])C(C)C
BondNum,"The molecule is composed of 8 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC([NH3+])C(C)(C)c1cc(Cl)ccc1F
FunctionalGroup,"There is a molecule composed of 1 amide group, and 2 sulfide groups.",Cc1ccc(-c2cc(C(=O)NCCc3nccs3)c3c(C)noc3n2)s1
AddComponent,Please add a benzene ring to the molecule CC([NH2+]Cc1ncc[nH]1)c1nnc2n1CCCCC2.,CC([NH2+]Cc1ncc[nH]1)(c1ccccc1)c1nnc2n1CCCCC2
SubComponent,Please substitute a hydroxyl in the molecule CC1CC(C(=O)N2CCC3(O)CCCCC3C2)CO1 with a nitro.,CC1CC(C(=O)N2CCC3(NO)CCCCC3C2)CO1
DelComponent,Modify the molecule nitrile by removing a Cn1cc(Nc2cc(C#N)[nH]c(=O)n2)c2ccccc21.,Cn1cc(Nc2cc[nH]c(=O)n2)c2ccccc21
LogP,Modify the molecule CC1CCC(Oc2nccc(C#N)c2C(=O)[O-])(C(=O)c2c(F)cccc2-c2ncccn2)C[NH2+]1 to decrease its LogP value.,CC1CCC(Oc2nccc(C#N)c2C(=O)[O-])(C(=O)c2c(C#N)cccc2-c2ncccn2)C[NH2+]1
MR,Modify the molecule CCC(O)C[NH+]1CCCCC(COC)C1 to have a lower MR value.,CCCC[NH+]1CCCCC(COC)C1
QED,Please modify the molecule O=c1c(Cc2ccco2)nc2c(C#Cc3ccccc3)[nH]c(-c3ccccc3)cn1-2 to increase its QED value.,O=c1c(Cc2ccco2)nc2c(C#Cc3ccccc3)[nH]ccn1-2
AtomNum,"There is a molecule consisting of 20 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CCOc1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1
BondNum,"Please generate a molecule consisting 17 single bonds, 3 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CC(=C1SC(=[NH+]c2ccncc2Cl)N(C2CCCCC2)C1=O)c1ccc(N)cc1
FunctionalGroup,"Please generate a molecule composed of 1 amine group, and 3 halo groups.",Cc1cc(Nc2cccc3ccccc23)c2ccc(C(F)(F)F)cc2n1
AddComponent,Modify the molecule C#CCSCCNC(=O)N(CCC(=O)[O-])C(C)(C)C by adding a hydroxyl.,C#CCSCCNC(=O)N(CC(O)C(=O)[O-])C(C)(C)C
SubComponent,Substitute a COc1c2c(c(OC)c3c1SC(=C1C(=O)N(c4ccccc4)N=C1C1CO1)S3)SC(=C1C(=O)N(c3ccccc3)N=C1C(C)O)S2 in the molecule hydroxyl with a carboxyl.,COc1c2c(c(OC)c3c1SC(=C1C(=O)N(c4ccccc4)N=C1C(C)C(=O)[OH])S3)SC(=C1C(=O)N(c3ccccc3)N=C1C1CO1)S2
DelComponent,Modify the molecule hydroxyl by removing a O=C(C(O)CO)C1(O)C(O)C(O)C(O)C(O)C1(O)[P+](=O)[O-].,O=C(C(O)CO)C1(O)C(O)C(O)C(O)CC1(O)[P+](=O)[O-]
LogP,Modify the molecule Cc1[nH]ccc1C(=O)Oc1ccc2c(c1)NC(=O)CC2 to have a higher LogP value.,Cc1[nH]ccc1C(=O)Oc1ccc2c(c1)C2
MR,Modify the molecule Cc1cc(Br)cc([N+](=O)[O-])c1OCCCC(N)=[NH2+] to have a lower MR value.,Cc1cc(C(=O)[OH])cc([N+](=O)[O-])c1OCCCC(N)=[NH2+]
QED,Please optimize the molecule CN1CC[NH+](Cc2cccc(-c3ccc4c(Nc5ccc(Sc6nccn6C)c(Cl)c5)c(C#N)cnc4c3)n2)CC1 to have a lower QED value.,CN1CC[NH+](Cc2cccc(-c3ccc4c(Nc5ccc(Sc6nccn6C)c(Cl)c5)c(S)cnc4c3)n2)CC1
AtomNum,"The molecule consists of 11 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1ccnc(NCC2(C)CCCO2)n1
BondNum,"The molecule consists of 17 single bonds, 1 double bond, 1 triple bond, 6 rotatable bonds, and 16 aromatic bonds.",Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(c2ccc(F)cc2)CCCCC1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 ketone group, 1 ester group, and 1 amide group.",Cc1cc(C)c(C(=O)C(C)OC(=O)c2ccc(OCC(N)=O)cc2)cc1C
AddComponent,Add a benzene ring to the molecule CCNC(NCC1CCC[NH+]1Cc1ccccc1)=[NH+]CC(=O)Nc1ccc(O)cc1.,CCNC(NCC1(c2ccccc2)CCC[NH+]1Cc1ccccc1)=[NH+]CC(=O)Nc1ccc(O)cc1
SubComponent,Modify the molecule halo by substituting a CC(C)(C)c1ccc2nc(C(F)F)cc(NN)c2c1 with a hydroxyl.,CC(C)(C)c1ccc2nc(C(O)F)cc(NN)c2c1
DelComponent,Remove a O=C(NC1CCCCC1Cl)c1ccc(Br)s1 from the molecule halo.,O=C(NC1CCCCC1)c1ccc(Br)s1
LogP,Modify the molecule c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)Oc3ccccc3C53c4ccccc4N(c4ccccc4)c4ccccc43)nc(-c3ccccc3)n2)cc1 to have a lower LogP value.,c1ccc(-c2nccc(-n3c4ccccc4c4cc5c(cc43)Oc3ccccc3C53c4ccccc4N(c4ccccc4)c4ccccc43)n2)cc1
MR,Please modify the molecule C1=CC(n2c3ccccc3c3c4ccccc4c(-c4ccc5cc(-c6ccc7c(c6)c6ccccc6n7C6N=c7ccccc7=C(c7ccccc7)[NH2+]6)ccc5c4)cc32)=CCC1 to decrease its MR value.,C1=CC(n2c3ccccc3c3c4ccccc4c(-c4ccc5cc(-c6ccc7c(c6)c6ccccc6n7C6N=c7ccccc7=C[NH2+]6)ccc5c4)cc32)=CCC1
QED,Please optimize the molecule CN(C(=O)OCc1ccccc1)C(C)(Cc1ccc(O)cc1)[NH+]1CCCC1 to have a lower QED value.,CN(C(=O)OCc1ccccc1)C(C)(Cc1ccc(Cl)cc1)[NH+]1CCCC1
AtomNum,"There is a molecule consisting of 23 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",O=C([O-])NC(Cc1ccccc1)C1Cc2c(cccc2-c2ccccc2)O1
BondNum,"The molecule contains 12 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1cccc(O)c1NS(=O)(=O)CC1CCCCC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amide groups.",CCOc1cc(C2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)ccc1OCC(N)=O
AddComponent,Add a benzene ring to the molecule CO[SH](=O)=Nc1ccc(CNC(=O)COc2ccc(C(C)(C)C)c(F)c2)cc1F.,CC(C)(C)c1ccc(OCC(=O)NCc2ccc(N=[SH](=O)OCc3ccccc3)c(F)c2)cc1F
SubComponent,Substitute a CCCNc1nc(Cl)nc(NCC(C)C(C)C)n1 in the molecule halo with a aldehyde.,CC(=O)c1nc(NCCC)nc(NCC(C)C(C)C)n1
DelComponent,Modify the molecule amide by removing a NC(=O)C[NH+]1CCCC(C(=O)NCCc2ccncc2)C1.,O=C(NCCc1ccncc1)C1CCC[NH+]C1
LogP,Optimize the molecule Cc1c(CC(C)[NH3+])c2cc(Br)ccc2n1C to have a lower LogP value.,Cc1c(CC(C)[NH3+])c2cc(S)ccc2n1C
MR,Please modify the molecule C[NH2+]CC1C(c2sccc2Br)C1(C)C to decrease its MR value.,C[NH2+]CC1C(c2cccs2)C1(C)C
QED,Please modify the molecule CN(CCc1ccc(F)cc1)c1ccc(N)cc1 to decrease its QED value.,CN(CCc1ccc(C(=O)[OH])cc1)c1ccc(N)cc1
AtomNum,"The molecule is composed of 12 carbon atoms, 3 nitrogen atoms, 1 fluorine atom, and 1 iodine atom.",NNC(c1cncc(F)c1)c1cccc(I)c1
BondNum,"Please generate a molecule consisting 16 single bonds, 1 double bond, and 7 rotatable bonds.",CCCCC(CC)C(=O)C1CCCCC1CC
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 2 halo groups.",CC(C)CCCC(C)CCOCOc1cc(CCl)cc(-c2ccccc2)c1CCl
AddComponent,Modify the molecule CCc1cc2c(cc1N1CC(C)[NH2+]C(C)C1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O by adding a amine.,CCc1cc2c(cc1N1CC(C)[NH2+]C(C)(N)C1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O
SubComponent,Modify the molecule CCCNC(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4ccc(C)cc4F)c3C)CC2)cc1Cl by substituting a halo with a nitro.,CCCNC(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4ccc(C)cc4NO)c3C)CC2)cc1Cl
DelComponent,Modify the molecule COc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1C[NH+]1CCOCC1 by removing a benzene ring.,COC(C[NH2+]C(C)(C)CC(C)(C)C)[NH+]1CCOCC1
LogP,Optimize the molecule CC(NC(=O)CON=Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 to have a lower LogP value.,CC(NC(=O)CON=Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(Cl)c1
MR,Modify the molecule CC(C)[NH2+]Cc1ccc(Sc2nccc(=O)[nH]2)cc1Br to increase its MR value.,CC(=O)c1cc(Sc2nccc(=O)[nH]2)ccc1C[NH2+]C(C)C
QED,Optimize the molecule CC(C)(C)CC(C)(C)[NH2+]C1CCCc2ccc(O)cc21 to have a lower QED value.,CC(C)(C)CC(C)(C)[NH2+]C1CCCc2ccc(S)cc21
AtomNum,"Please generate a molecule with 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",NC(=S)CCN(C(=O)Cc1c(F)cccc1Cl)C1CC1
BondNum,"Please generate a molecule composed of 13 single bonds, 11 rotatable bonds, and 6 aromatic bonds.",CCC[NH+](CCC)CCOCCCc1ccccc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 hydroxyl group.",O=C([O-])c1c[nH+]c(Cc2cccc(O)c2)[nH]1
AddComponent,Modify the molecule BrCc1cnc(N2CCCCc3ccccc32)nc1 by adding a hydroxyl.,Oc1cccc2c1N(c1ncc(CBr)cn1)CCCC2
SubComponent,Modify the molecule nitrile by substituting a CNC(C)(C#N)CSc1nnnn1C with a thiol.,CNC(C)(S)CSc1nnnn1C
DelComponent,Modify the molecule amide by removing a CC(C)CNC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O.,CC(C)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O
LogP,Please optimize the molecule COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(CSc2ccc(C)cc2)n1C to have a higher LogP value.,COc1cc(Cl)c(Cc2ccccc2)cc1NC(=O)CSc1nnc(CSc2ccc(C)cc2)n1C
MR,Please optimize the molecule CC1CC2CN(C(=O)CC3=CCCCC3)CCC2O1 to have a higher MR value.,CC1CC2CN(C(=O)CC3=C(O)CCCC3)CCC2O1
QED,Please modify the molecule CC[NH2+]C1CCCCC1c1sccc1Cl to decrease its QED value.,CC[NH2+]C1CCCCC1c1cccs1
AtomNum,"There is a molecule consisting of 10 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",Cc1c(Cl)c(=O)[nH]c(=O)n1C1CC(O)C(CO)O1
BondNum,"Please generate a molecule consisting 14 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",CC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CC(C)O1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amine group, 1 nitro group, 1 halo group, and 1 sulfone group.",O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1
AddComponent,Modify the molecule O=C1C(O)=C(c2ccc(OCc3ccccc3)cc2)C(c2ccco2)N1c1cccc(Cl)c1 by adding a benzene ring.,O=C1C(O)=C(c2ccc(OCc3ccccc3)cc2)C(c2ccco2)N1c1cc(Cl)ccc1-c1ccccc1
SubComponent,Please substitute a CC(O)c1noc(-c2cc(Br)ccc2F)n1 in the molecule hydroxyl with a thiol.,CC(S)c1noc(-c2cc(Br)ccc2F)n1
DelComponent,Please remove a benzene ring from the molecule Clc1cccc(OCCCSc2nnc(NCC3CCCO3)s2)c1.,ClOCCCSc1nnc(NCC2CCCO2)s1
LogP,Modify the molecule CC1OC(c2[nH]c(C3(NC(=O)OCc4ccccc4)CCC(CO)OC3)nc(=O)c2[O-])O1 to have a higher LogP value.,CC1OC(c2[nH]c(C3(NC(=O)OCc4ccccc4)CCC(CBr)OC3)nc(=O)c2[O-])O1
MR,Please modify the molecule CCNC(NC1CCN(c2cccc(Cl)c2)C1)=[NH+]CCc1cccc(C(=O)N(C)C)c1 to decrease its MR value.,CCNC(NC1CCN(c2ccccc2)C1)=[NH+]CCc1cccc(C(=O)N(C)C)c1
QED,Optimize the molecule CN(CCSSCCN(C)c1ccc(C=Cc2n(C)c(Cl)c(Cl)[n+]2C)cc1)c1ccc(C=Cc2n(C)c(Cl)c(Cl)[n+]2C)cc1 to have a higher QED value.,CN(CCSSCCN(C)c1ccc(C=Cc2n(C)c(Cl)c(Cl)[n+]2C)cc1)c1ccc(C=Cc2n(C)c(Cl)c[n+]2C)cc1
AtomNum,"The molecule is composed of 22 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 6 aromatic bonds.",COc1cc(OC)c2c(c1)C(=O)N(CCO)C2C#N
FunctionalGroup,"Please generate a molecule consisting 1 ester group, 1 amide group, and 1 sulfide group.",CCC1CCCCN1C(=O)COC(=O)c1cccs1
AddComponent,Add a hydroxyl to the molecule COC(=O)CCSC(c1cccc(OCc2ccc3ccccc3n2)c1)C(O)(I)c1ccc2c(=O)cc(C#N)oc2c1.,COC(=O)CCSC(c1cc(O)cc(OCc2ccc3ccccc3n2)c1)C(O)(I)c1ccc2c(=O)cc(C#N)oc2c1
SubComponent,Modify the molecule CC[NH2+]CC(Cc1sccc1Br)C(C)C by substituting a halo with a carboxyl.,CC[NH2+]CC(Cc1sccc1C(=O)[OH])C(C)C
DelComponent,Modify the molecule benzene ring by removing a CC1(C)CCC2(COC(=O)c3ccccc3)CCC3(C)C(C(=O)CC4C5C=C(C#N)C(=O)C(C)(C)C5CCC43C)C2C1.,CC1(C)CCC2(COC=O)CCC3(C)C(C(=O)CC4C5C=C(C#N)C(=O)C(C)(C)C5CCC43C)C2C1
LogP,Optimize the molecule Cc1ncn(CCC2CCCC[NH+]2C)c(=O)c1Br to have a lower LogP value.,Cc1ncn(CCC2CCCC[NH+]2C)c(=O)c1S
MR,Please modify the molecule COc1ccc(C(CNC(=O)C(=O)NCCc2ccccc2)[NH+]2CCN(C)CC2)cc1 to decrease its MR value.,COc1ccc(C(CN(O)CCc2ccccc2)[NH+]2CCN(C)CC2)cc1
QED,Optimize the molecule CC(C[NH2+]C1CCC1)Cc1c(F)ccc(Br)c1F to have a lower QED value.,CC(=O)c1ccc(Br)c(F)c1CC(C)C[NH2+]C1CCC1
AtomNum,"Please generate a molecule consisting 26 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1cccc(OC)c1C(=O)NCC(c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CN(C)C(=O)C1C[NH2+]CCN1C(=O)c1cc(F)ccc1O
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",COc1cccc(N)c1C(=O)N(C)Cc1cccc(F)c1
AddComponent,Please add a benzene ring to the molecule CC(C(=O)OCC(=O)NC1CC1)N1C(=O)C2CC=CCC2C1=O.,CC(C(=O)OCC(=O)NC1CC1)N1C(=O)C2CC=C(c3ccccc3)CC2C1=O
SubComponent,Substitute a Brc1ccc2c(c1)CCC2[NH2+]CCc1ccccc1 in the molecule halo with a nitro.,ONc1ccc2c(c1)CCC2[NH2+]CCc1ccccc1
DelComponent,Remove a halo from the molecule Cn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(C4CC4)nn3)c12.,Cn1c(=O)c2ccccc2n2cnc(-n3cc(C4CC4)nn3)c12
LogP,Optimize the molecule Cc1cc(Cc2nc(C(C)[NH3+])cs2)ccc1F to have a lower LogP value.,Cc1cc(Cc2nc(C(C)[NH3+])cs2)ccc1O
MR,Please modify the molecule Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N2CC3CCC(O)C3C2)c1 to increase its MR value.,CC(=O)C1CCC2CN(C(=O)CSc3nnc(C)n3-c3cc(C)ccc3C)CC21
QED,Modify the molecule CC(C)C(C#N)C1(c2cc(Br)cs2)COC1 to have a lower QED value.,CC(C)C(C#N)C1(c2cccs2)COC1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",O=C(C1CCOC1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 5 rotatable bonds, and 10 aromatic bonds.",CC(C)c1nc2cc(NCCNC(=O)OC(C)(C)C)ccc2o1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, and 2 halo groups.",CCCc1nn(C)c2c1nc(N)n2-c1ccc(Cl)c(Br)c1
AddComponent,Add a amine to the molecule COC1C[NH2+]CC1NS(=O)(=O)c1cccnc1C#N.,COC1(N)C[NH2+]CC1NS(=O)(=O)c1cccnc1C#N
SubComponent,Substitute a COC(=O)c1cc(N)cc(Oc2cccc(F)c2)c1 in the molecule halo with a nitro.,COC(=O)c1cc(N)cc(Oc2cccc(NO)c2)c1
DelComponent,Modify the molecule amide by removing a CC(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(SCC(=O)Nc3cc(Cl)ccc3Cl)c2)cc1.,CC(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(Sc3cc(Cl)ccc3Cl)c2)cc1
LogP,Optimize the molecule COc1ccc(CC(C)(C)[NH2+]CC(O)c2ccc(OCc3ccccc3)c3c2OC(C)(C)C(=O)N3)cc1 to have a lower LogP value.,COc1ccc(CC(C)(CO)[NH2+]CC(O)c2ccc(OCc3ccccc3)c3c2OC(C)(C)C(=O)N3)cc1
MR,Modify the molecule CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)C2c2ccco2)cc1 to have a lower MR value.,CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3O)C2c2ccco2)cc1
QED,Please optimize the molecule CNC(=O)C1C=NC(C)=C(c2cc(C(F)(F)F)ncc2Cc2ccc(C#N)cn2)C1=O to have a higher QED value.,CNC(=O)C1C=NC(C)=C(c2cc(C(F)(F)F)ncc2Cc2ccccn2)C1=O
AtomNum,"The molecule consists of 24 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCCCC(Sc1nnc(COc2ccccc2)n1CCC(C)C)C(=O)Nc1cc(C)on1
BondNum,"The molecule has 9 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CC(C)Oc1ccccc1C(=O)c1cc(Cl)ccc1NC=O
FunctionalGroup,"The molecule contains 2 benzene ring groups, 2 nitro groups, and 1 sulfone group.",COc1ccc([N+](=O)[O-])cc1N(C(C)C(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-]
AddComponent,Add a benzene ring to the molecule CCc1ccc(C2(C)CC2C[NH2+]C2CC2)cc1.,CCc1ccc(C2(C)CC2C[NH2+]C2CC2)c(-c2ccccc2)c1
SubComponent,Substitute a halo in the molecule CC(=O)c1nc2cnc(Br)cn2c1C with a nitrile.,CC(=O)c1nc2cnc(C#N)cn2c1C
DelComponent,Modify the molecule CCOCC[NH+](CCOCC)CC(CBr)C(C)C by removing a halo.,CCOCC[NH+](CCOCC)CC(C)C(C)C
LogP,Please optimize the molecule COCCC(C)C(C[NH2+]C(C)(C)C)Cc1cccc(Br)c1 to have a lower LogP value.,COCCC(C)C(CBr)C[NH2+]C(C)(C)C
MR,Please modify the molecule COC1C(C)C(NC(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)C1(C)C to decrease its MR value.,COC1C(C)C(NC(=O)Nn2cnc(N(C)C)n2)C1(C)C
QED,Modify the molecule CCCC1CCCC[NH+]1CCCC#N to decrease its QED value.,CCCC1CCCC[NH+]1CCC
AtomNum,"The molecule is composed of 11 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Nc1nnc(-c2ccc(OCCC(=O)[O-])cc2)s1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CCC(O)CCNc1ccc(Br)cc1C(=O)[O-]
FunctionalGroup,There is a molecule consisting of and 2 amine groups.,NC(=NCC[NH+]1CCc2ccccc2C1)NC1CCCCCC1
AddComponent,Please add a nitrile to the molecule Cn1cnnc1CNS(=O)(=O)c1ccn[nH]1.,Cn1cnnc1CNS(=O)(=O)c1[nH]ncc1C#N
SubComponent,Please substitute a halo in the molecule CC(C)n1cc(C=NNCc2ccc(Cl)cc2)c2ccccc21 with a aldehyde.,CC(=O)c1ccc(CNN=Cc2cn(C(C)C)c3ccccc23)cc1
DelComponent,Remove a benzene ring from the molecule CCC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)cc1.,CCC(=O)N1CCC(Cc2ccccc2)CC1
LogP,Modify the molecule COc1ccc(C(Br)C(Br)C(=O)C2C(O)ONN2c2ccc(OC)cc2)cc1 to increase its LogP value.,COc1ccc(C(Br)C(Br)C(=O)C2CONN2c2ccc(OC)cc2)cc1
MR,Modify the molecule CC(C)Cn1c(CCC(N)=O)nn(C[NH+]2CCN(c3ncccn3)CC2)c1=S to increase its MR value.,CC(C)C(c1ccccc1)n1c(CCC(N)=O)nn(C[NH+]2CCN(c3ncccn3)CC2)c1=S
QED,Please optimize the molecule Cc1cccc(C)c1NC(=O)C(Sc1ccc(NC(=O)C2CC=CCC2C(=O)[O-])cc1)c1ccccc1 to have a lower QED value.,Cc1cccc(Cc2ccccc2)c1NC(=O)C(Sc1ccc(NC(=O)C2CC=CCC2C(=O)[O-])cc1)c1ccccc1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",Cc1ccc(Nc2nnc(SCC(=O)NC(N)=O)s2)cc1C
BondNum,"There is a molecule with 20 single bonds, 2 double bonds, and 3 rotatable bonds.",CCC1CCC[NH2+]C1CN1C(=O)CC2(CCCC2)C1=O
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, and 2 amide groups.",CC(C)COc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)OCC1CCCO1
AddComponent,Please add a hydroxyl to the molecule O=C(c1ccccc1F)N(CC[NH+]1CCOCC1)Cc1ccc2c(c1)OCO2.,O=C(c1cc(O)ccc1F)N(CC[NH+]1CCOCC1)Cc1ccc2c(c1)OCO2
SubComponent,Please substitute a CCCOc1nc(Cl)nc(Sc2ccccc2Cl)n1 in the molecule halo with a thiol.,CCCOc1nc(S)nc(Sc2ccccc2Cl)n1
DelComponent,Please remove a Cc1ccc(C(=O)NC2CCC(C([NH3+])C(=O)N3CCSC3)CC2)cc1 from the molecule benzene ring.,CC(=O)NC1CCC(C([NH3+])C(=O)N2CCSC2)CC1
LogP,Modify the molecule Nc1cc(S(=O)(=O)Cl)c(OC(F)(F)F)nc1Br to have a higher LogP value.,O=S(=O)(Cl)c1ccc(Br)nc1OC(F)(F)F
MR,Optimize the molecule CCOC(=O)C1C2Cc3ccc(OCc4ccccc4)cc3C21 to have a lower MR value.,CCOC(=O)C1C2Cc3ccc(OC)cc3C21
QED,Optimize the molecule Cc1nc(Nc2ccn[nH]2)sc1-c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 to have a lower QED value.,CC(=O)C(F)(F)c1cc(-c2sc(Nc3ccn[nH]3)nc2C)ccc1S(C)(=O)=O
AtomNum,"The molecule is composed of 15 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(C(=O)Cn2cnc3sccc3c2=O)cc1[N+](=O)[O-]
BondNum,"There is a molecule with 19 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",[NH3+]CC1(c2[nH]c3c(c2C(=O)[O-])CCc2cnc(Cl)cc2-3)C[NH+](CC2CC2)C1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 10 halo groups.",Fc1c(F)c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c1F
AddComponent,Please add a hydroxyl to the molecule CCCCCCCC1(C)C[NH+]=C(N)N1c1ccccc1F.,CCCC(O)CCCC1(C)C[NH+]=C(N)N1c1ccccc1F
SubComponent,Modify the molecule halo by substituting a CCOc1ccc(CC(=O)N2CCC(NC(=O)C(C)Cl)CC2)cc1 with a thiol.,CCOc1ccc(CC(=O)N2CCC(NC(=O)C(C)S)CC2)cc1
DelComponent,Modify the molecule amine by removing a CCn1ccc(CNc2ccc(F)c(OC)c2)c1.,CCn1ccc(Cc2ccc(F)c(OC)c2)c1
LogP,Please optimize the molecule CCOc1ccccc1NC(=O)OC1CCCN1C(=O)NCc1ccccc1 to have a lower LogP value.,CCOc1ccccc1NC(=O)OC1CCCN1C(=O)NC
MR,Please optimize the molecule [NH3+]C(Cc1ccc(O)cc1)C1(c2ccccc2)CCC1 to have a higher MR value.,[NH3+]C(Cc1ccc(S)cc1)C1(c2ccccc2)CCC1
QED,Please modify the molecule Nc1cc(CCc2ccc(C(F)(F)F)c(S(N)(=O)=O)c2)cnc1C[NH3+] to decrease its QED value.,Nc1cc(CCc2ccc(C(F)(F)S)c(S(N)(=O)=O)c2)cnc1C[NH3+]
AtomNum,"There is a molecule with 20 carbon atoms, 2 nitrogen atoms, 4 fluorine atoms, and 1 chlorine atom.",[NH3+]C(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1
BondNum,"The molecule is composed of 17 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",Nc1c(F)c(N2CC[NH2+]CC2)c(F)c2c1c(=O)c(C(=O)[O-])cn2C1CC1F
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,CC(C)c1cccc(C(C)C)c1N1CCN(C(=O)NCc2ccncc2)CC1
AddComponent,Modify the molecule CCCc1nnsc1C(=O)NCC1CCCCC1C(=O)[O-] by adding a benzene ring.,CCCc1nnsc1C(=O)NCC1CCC(c2ccccc2)CC1C(=O)[O-]
SubComponent,Please substitute a halo in the molecule COC1OC(COC(=O)c2ccccc2)CC(NC(=O)N(CCCl)N=O)C1O with a hydroxyl.,COC1OC(COC(=O)c2ccccc2)CC(NC(=O)N(CCO)N=O)C1O
DelComponent,Please remove a Cc1nn(C)c(CNc2cc(I)ccc2Cl)c1Cl from the molecule halo.,Cc1nn(C)c(CNc2ccccc2Cl)c1Cl
LogP,Modify the molecule CCCN1CC[NH+](Cc2cc(Br)ccc2O)CC1 to have a lower LogP value.,O=C(O)CCCN1CC[NH+](Cc2cc(Br)ccc2O)CC1
MR,Optimize the molecule OC1CCCC1c1cccc2c1OCC2 to have a higher MR value.,Oc1ccc(C2CCCC2O)c2c1CCO2
QED,Modify the molecule NC1=[NH+]C(CF)(c2cc(Nc3ncnc4cc(Cl)cnc34)ccc2F)C2CC2S1 to have a higher QED value.,NC1=[NH+]C(CF)(N(F)c2ncnc3cc(Cl)cnc23)C2CC2S1
AtomNum,"The molecule contains 19 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",C#CCn1c(C)c(C)c2cc(Cl)nc(OCc3ccc(F)cc3)c21
BondNum,"The molecule contains 8 single bonds, 1 triple bond, 4 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C#N)cc1CNc1cc(C)ccc1C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, and 1 ester group.",CCOC(=O)CCc1cc(C)c(O)cc1C
AddComponent,Please add a hydroxyl to the molecule CC(C)(C)C(P)(c1ccc(-c2ccccc2)cc1CP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)C(C)(C)C.,CC(C)(C)C(P)(c1ccc(-c2ccccc2)cc1CP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(O)(C3)C1)C2)C(C)(C)C
SubComponent,Substitute a Cc1ccc(NCc2cc(Cl)c3c(c2)OCCO3)cc1Cl in the molecule halo with a nitrile.,Cc1ccc(NCc2cc(C#N)c3c(c2)OCCO3)cc1Cl
DelComponent,Remove a CCOC(=O)c1ccc(NC(=O)COc2ccccc2C2c3sc(=O)[nH]c3SC3C4CC(C5C(=O)N(c6ccc(Br)cc6)C(=O)C45)C23)cc1 from the molecule halo.,CCOC(=O)c1ccc(NC(=O)COc2ccccc2C2c3sc(=O)[nH]c3SC3C4CC(C5C(=O)N(c6ccccc6)C(=O)C45)C23)cc1
LogP,Optimize the molecule CCN1CC[NH+](CC(O)COc2cc(C)cc(C)c2)CC1 to have a higher LogP value.,CCN1CC[NH+](CCCOc2cc(C)cc(C)c2)CC1
MR,Modify the molecule CCC1C(O)C2C3CCC(C(C)CCNC(=O)NS(=O)(=O)c4ccc(C5CCCCC5)cc4)C3(C)CCC2C2(C)CCC(O)CC12 to increase its MR value.,CCC1C(O)C2C3CCC(C(C)CCNC(=O)NS(=O)(=O)c4ccc(C5CCCCC5)cc4)C3(C)CCC2C2(C)CCC(O)CC12O
QED,Please modify the molecule Fc1ccc(OC2CC[NH+](C3CC[NH2+]CC3)CC2)c(Cl)c1 to increase its QED value.,N#Cc1ccc(OC2CC[NH+](C3CC[NH2+]CC3)CC2)c(Cl)c1
AtomNum,"There is a molecule with 10 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",Cc1nnsc1C(=O)NC1CCCC1C[NH3+]
BondNum,"Please generate a molecule with 8 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",COCCONCC=Cc1ccccc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 halo group, and 3 sulfide groups.",O=C(Nc1c(C2CC2)nsc1C#Cc1cc2sc(C3(C(=O)[O-])CC3)cc2s1)OCc1ccccc1Cl
AddComponent,Please add a hydroxyl to the molecule COCCc1nsc(N2CCCC(C)C2)n1.,CC1CCCN(c2nc(CCOCO)ns2)C1
SubComponent,Modify the molecule CC(=O)NC(=S)Nc1ccc(Oc2ccnc(NC(=O)N(C)CCO)c2)c(F)c1 by substituting a halo with a thiol.,CC(=O)NC(=S)Nc1ccc(Oc2ccnc(NC(=O)N(C)CCO)c2)c(S)c1
DelComponent,Modify the molecule benzene ring by removing a Cc1oc(-c2ccccc2)nc1C[NH+]1CC(C)OC2(CCOCC2)C1.,Cc1ocnc1C[NH+]1CC(C)OC2(CCOCC2)C1
LogP,Please modify the molecule [NH3+]C(CCC(=O)[O-])C(=O)NC(CO)C(=O)NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(=O)NC(C=O)Cc1ccccc1 to increase its LogP value.,[NH3+]C(CCC(=O)[O-])C(=O)NC(CO)C(=O)NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(=O)NCc1ccccc1
MR,Please optimize the molecule O=C([O-])c1nc2c(C(F)(F)F)cccn2c1-c1ccoc1 to have a higher MR value.,O=C([O-])c1nc2c(C(F)(F)S)cccn2c1-c1ccoc1
QED,Optimize the molecule O=C([O-])Cc1ccc2oc(-c3ccc(NC(=S)Nc4ccc(-c5nc6cc(CC(=O)[O-])ccc6o5)cc4)cc3)nc2c1 to have a higher QED value.,O=C([O-])Cc1ccc2oc(NC(=S)Nc3ccc(-c4nc5cc(CC(=O)[O-])ccc5o4)cc3)nc2c1
AtomNum,"There is a molecule with 47 carbon atoms, 6 oxygen atoms, 13 nitrogen atoms, and 1 sulfur atom.",CCC(=O)NCCCCCCCC(=O)NC1CCN(c2nc(N3CCC(NC(C)=O)CC3)nc(N3CCC(NC(=O)CCCCCNC(=O)CCCCC4SCC5NC(=O)NC54)CC3)n2)CC1
BondNum,"The molecule contains 14 single bonds, 3 double bonds, 9 rotatable bonds, and 22 aromatic bonds.",Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",CC1CCC(NC(=O)c2ccccc2[S-])CC1
AddComponent,Modify the molecule Cc1cscc1C(=O)OC1CC2CCC1(C)C2(C)C by adding a amine.,Cc1csc(N)c1C(=O)OC1CC2CCC1(C)C2(C)C
SubComponent,Substitute a hydroxyl in the molecule Cc1[nH+]cc(C(=O)[O-])n1CC(O)CO with a nitrile.,Cc1[nH+]cc(C(=O)[O-])n1CC(C#N)CO
DelComponent,Modify the molecule CCCCCN(C)CC([NH3+])c1ccc(C(C)C)cc1 by removing a benzene ring.,CCCCCN(C)CC([NH3+])C(C)C
LogP,Optimize the molecule C=CCC(C)NS(=O)(=O)c1cc(N)ccc1C(=O)OC to have a higher LogP value.,C=CCC(C)NS(=O)(=O)c1cc(N)cc(-c2ccccc2)c1C(=O)OC
MR,Please modify the molecule C[NH+]=C(NCCn1cc(C)cn1)NCc1ccc(C(F)(F)F)cc1 to decrease its MR value.,C[NH+]=C(NCCn1cc(C)cn1)NCc1ccc(C(F)F)cc1
QED,Optimize the molecule O=C(NC(CC[NH+]1CCC2(CCN(Cc3cccnc3)C2=O)CC1)c1ccccc1)C1CCOC1 to have a lower QED value.,NC1CC2(CC[NH+](CCC(NC(=O)C3CCOC3)c3ccccc3)CC2)C(=O)N1Cc1cccnc1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",N#CCC(=O)N1CCOc2ccc(F)cc2C1
BondNum,"Please generate a molecule composed of 13 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",[NH3+]NC(=O)N([NH3+])c1cc(OC(F)F)ccc1NC(=O)c1ccc2cc(Cl)ccc2c1
FunctionalGroup,"There is a molecule consisting of 2 amine groups, and 1 sulfide group.",NNC(Cc1nccs1)c1cccc2ncccc12
AddComponent,Modify the molecule CCC(C)C([NH3+])C(=O)NC(CS)C(=O)NCC(=O)NC(C(=O)[O-])C(C)CC by adding a hydroxyl.,CCC(C)C([NH3+])C(=O)NC(CS)C(=O)NC(O)C(=O)NC(C(=O)[O-])C(C)CC
SubComponent,Please substitute a halo in the molecule Cc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(N)=O)ccc3Cl)CC2)cc1NC(=O)C1CCCCC1 with a hydroxyl.,Cc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(N)=O)ccc3O)CC2)cc1NC(=O)C1CCCCC1
DelComponent,Please remove a CC1(C)CCCC1C(=O)N(CCC(=O)[O-])c1ccccc1 from the molecule benzene ring.,CC1(C)CCCC1C(=O)NCCC(=O)[O-]
LogP,Please optimize the molecule CCOC(=O)c1csc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)n1 to have a lower LogP value.,CCOC(=O)c1csc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1
MR,Please optimize the molecule Brc1ccc2nc3n4c(nnc-3c2c1)c(-c1ccccc1)cc1cccnc14 to have a lower MR value.,c1ccc(-c2cc3cccnc3n3c4nc5ccccc5c-4nnc23)cc1
QED,Please optimize the molecule Clc1cnccc1CC1CCCc2ccccc2C1Cl to have a lower QED value.,ONc1cnccc1CC1CCCc2ccccc2C1Cl
AtomNum,"Please generate a molecule with 16 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",Cc1cccc2sc(NC(=O)c3cccc4cn[nH]c34)nc12
BondNum,"The molecule consists of 26 single bonds, 3 double bonds, and 2 rotatable bonds.",CC12CC(C(Br)C(=O)[O-])C(=O)C=C1CCC1C2CCC2(C)C(O)CCC12
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)NCCc1c[nH]c2ccccc12
AddComponent,Modify the molecule Cc1ccc(C)c(C(Br)c2ccc(I)c(Cl)c2)c1 by adding a carboxyl.,Cc1ccc(CC(=O)O)cc1C(Br)c1ccc(I)c(Cl)c1
SubComponent,Modify the molecule halo by substituting a Nc1ccc(F)c(C(=O)Nc2ccc3ncsc3c2)c1F with a thiol.,Nc1ccc(S)c(C(=O)Nc2ccc3ncsc3c2)c1F
DelComponent,Remove a benzene ring from the molecule Cc1nc2cc(NC(=O)c3cc4cnccc4n3Cc3cccc(F)c3)ccc2n1C.,Cc1nc2cc(NC(=O)c3cc4cnccc4n3CF)ccc2n1C
LogP,Please optimize the molecule CC[NH+](Cc1ccccc1C#CCCO)CC1CCCO1 to have a higher LogP value.,CC(c1ccccc1)[NH+](Cc1ccccc1C#CCCO)CC1CCCO1
MR,Please optimize the molecule CCC(c1cc(C(F)(F)F)ccc1C(F)(F)F)[NH+]1CC(COc2cccc(C(C3CC3)C(C)C(=O)[O-])c2)C1 to have a higher MR value.,CCC(c1cc(C(F)(F)S)ccc1C(F)(F)F)[NH+]1CC(COc2cccc(C(C3CC3)C(C)C(=O)[O-])c2)C1
QED,Please modify the molecule O=Cc1ccc2oc(-c3cccc(F)c3)nc2c1 to decrease its QED value.,Nc1cc(F)cc(-c2nc3cc(C=O)ccc3o2)c1
AtomNum,"The molecule contains 21 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 6 fluorine atoms.",Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C(C#CCO)C2)cn1
BondNum,"There is a molecule consisting of 13 single bonds, 1 triple bond, 2 rotatable bonds, and 5 aromatic bonds.",C#CC[NH+]1CCN(c2ncc(C(F)(F)F)s2)CC1
FunctionalGroup,"The molecule contains 2 amide groups, and 2 sulfide groups.",CC(C)Cc1nnc(NC(=O)C2CCCN2C(=O)c2cccs2)s1
AddComponent,Please add a benzene ring to the molecule COc1cc(C)cc(C)c1S(=O)(=O)NCCC1CCC[NH2+]C1.,COc1cc(C)cc(C)c1S(=O)(=O)NCCC1C[NH2+]CC(c2ccccc2)C1
SubComponent,Please substitute a N#Cc1ccc(CCC(=O)N2CCCc3cc(NC(=O)c4ccccc4)ccc32)cc1 in the molecule nitrile with a carboxyl.,O=C([OH])c1ccc(CCC(=O)N2CCCc3cc(NC(=O)c4ccccc4)ccc32)cc1
DelComponent,Remove a halo from the molecule CSc1nc(-c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc(C(F)(F)F)n1.,CSc1nc(-c2ccc(=O)n(Cc3ccccc3)c2)cc(C(F)(F)F)n1
LogP,Modify the molecule CN(C)S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1 to decrease its LogP value.,CN(C)S(=O)(=O)c1ccc(NC(=O)CNC(=O)F)cc1
MR,Please optimize the molecule CC1=C(CCC(C)(O)C(O)CO)C2(C)CCCC(C)(C)C2CC1=O to have a higher MR value.,CC1=C(CCC(C)(C(=O)[OH])C(O)CO)C2(C)CCCC(C)(C)C2CC1=O
QED,Optimize the molecule CC1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cn2)CC(C)O1 to have a lower QED value.,CC1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cn2)CC(C)(O)O1
AtomNum,"There is a molecule consisting of 9 carbon atoms, and 2 nitrogen atoms.",NC1([NH3+])CCCCCCCC1
BondNum,"The molecule contains 17 single bonds, 2 double bonds, and 7 rotatable bonds.",C[NH2+]C(COC(C)(C)C)C(=O)NC(C(=O)OC)C(C)C
FunctionalGroup,The molecule has and 1 amide group.,CCCCN(CCCC[NH3+])C(=O)C[NH+]1CC(c2cc(OC)c3c(c2)OCO3)C(C(=O)[O-])C1CCc1ncccn1
AddComponent,Add a benzene ring to the molecule C=C(C)CC(=O)C1CCC2CCCCC2[NH2+]1.,C=C(C)CC(=O)C1CCC2CCCCC2(c2ccccc2)[NH2+]1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)Nc5cccc(F)c5)ccc4C)CC3)cc2)cc1 with a hydroxyl.,Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)Nc5cccc(O)c5)ccc4C)CC3)cc2)cc1
DelComponent,Remove a CC12C=CCCOC(=O)C1C1C(=O)N(CCCCCCO)C3C(=O)N(C(C)(C)C)CC=CC13S2 from the molecule hydroxyl.,CCCCCCN1C(=O)C2C3C(=O)OCCC=CC3(C)SC23C=CCN(C(C)(C)C)C(=O)C13
LogP,Modify the molecule CC(C)CNc1cncc(C(=O)N2CCC(C)CC2)c1 to decrease its LogP value.,CC(C)CNc1cncc(C(=O)N2CCC(C)CC2O)c1
MR,Please modify the molecule CCCCCCCCCCCCCCCCCCCCCC(C)CCCC(=O)OC to increase its MR value.,COC(=O)CCCC(C)CCCCCCCCCCCCCCCCCCCC(C)O
QED,Optimize the molecule CC(O)C(=O)N(C)CCc1ccc(Br)cc1 to have a lower QED value.,CC(O)C(=O)N(C)CCc1ccc(C#N)cc1
AtomNum,"The molecule consists of 18 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 fluorine atom.",CCN(Cc1ccccc1)C(=O)c1c[nH]c2ccc(F)cc12
BondNum,"Please generate a molecule composed of 12 single bonds, 1 triple bond, 3 rotatable bonds, and 5 aromatic bonds.",CCC1CCC(C#N)(C(O)c2ccoc2)CC1
FunctionalGroup,There is a molecule with and 1 amide group.,Cn1nccc1CCC(=O)N1CCCC1c1cccnc1
AddComponent,Add a benzene ring to the molecule CCC1CCCC1Nc1cccc(C#N)c1.,CCC1CCCC1Nc1cc(C#N)cc(-c2ccccc2)c1
SubComponent,Substitute a hydroxyl in the molecule CC(CC#N)C(O)c1cccc(Cl)c1 with a nitrile.,CC(CC#N)C(C#N)c1cccc(Cl)c1
DelComponent,Please remove a amide from the molecule O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CC2)cc1)NCc1ccco1.,O=C(NC1CC1)c1ccc(Cn2c(SCc3ccco3)nc3ccccc3c2=O)cc1
LogP,Please optimize the molecule CCOC(OCC)C(O)C(C)Cc1ccccc1 to have a higher LogP value.,CCOC(OCC)C(S)C(C)Cc1ccccc1
MR,Please optimize the molecule COc1cccc(N(CC(=O)NN=Cc2ccccc2OC)S(=O)(=O)c2ccccc2)c1 to have a lower MR value.,COc1ccccc1C=NNC(=O)CN(OC)S(=O)(=O)c1ccccc1
QED,Please optimize the molecule CCCN(CC)c1ccc(Br)cc1C=O to have a lower QED value.,CCCN(CC)c1cc(S)c(Br)cc1C=O
AtomNum,"The molecule contains 19 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(=O)Nc1nc2ccc(CCC(=O)NC3CCCCCC3)cc2s1
BondNum,"Please generate a molecule with 15 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(C(C)N2CCCC3C[NH2+]CC32)cc1C
FunctionalGroup,The molecule consists of and 1 amide group.,CC1(C)C(C(=O)N2CCC3(CCOCC3)CC2)C1(C)C
AddComponent,Please add a amine to the molecule CC(Oc1ccc(C[NH+]2CC(C(=O)N3CCc4nc(SC5CCCCC5)n(-c5ccccc5)c(=O)c4C3)C2)cn1)C(=O)[O-].,CC(Oc1ccc(C[NH+]2CC(C(=O)N3CCc4nc(SC5CCCCC5)n(-c5ccccc5)c(=O)c4C3N)C2)cn1)C(=O)[O-]
SubComponent,Please substitute a halo in the molecule NC(=O)c1cc2ccc(OC(=O)C(Cl)Cl)cc2oc1=O with a aldehyde.,CC(=O)C(Cl)C(=O)Oc1ccc2cc(C(N)=O)c(=O)oc2c1
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(-c2noc(-c3cc4n(n3)CC(c3ccccc3)OC4)n2)c1.,Cc1cccc(-c2noc(-c3cc4n(n3)CCOC4)n2)c1
LogP,Modify the molecule N#Cc1cc(NC(=O)Nc2ccc(OC(F)F)cc2)ccc1F to decrease its LogP value.,N#Cc1cc(NC(=O)Nc2ccc(OC(F)S)cc2)ccc1F
MR,Please optimize the molecule CC1CCCc2[nH+]c(S(=O)(=O)N3CCc4[nH]c5ccccc5c4C3)cn21 to have a higher MR value.,CC1CCCc2[nH+]c(S(=O)(=O)N3CCc4[nH]c5ccc(-c6ccccc6)cc5c4C3)cn21
QED,Modify the molecule c1ccc(N(c2cc3c4ccc5c6ccccc6oc5c4n4c3c(c2)c2ccc3c5ccccc5oc3c24)c2cccc3c2oc2ccccc23)cc1 to increase its QED value.,Oc1c(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc2c3ccc4c5ccccc5oc4c3n3c4c(ccc5c6ccccc6oc54)c1c23
AtomNum,"The molecule consists of 13 carbon atoms, 1 oxygen atom, and 1 chlorine atom.",CCCCCCCC1(CCl)CCCOC1
BondNum,"The molecule contains 10 single bonds, 2 double bonds, 5 rotatable bonds, and 10 aromatic bonds.",CCOC(=O)CCc1ccc(C(N)=[NH+]O)c2c1ccn2C
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,COc1cc(OC)cc(N2CCC(NC(=O)N3CC(C)CC(C(=O)[O-])C3)C2)c1
AddComponent,Modify the molecule CCC[NH2+]C1C(C[NH+](C)CCOCC)CCC1(C)C by adding a hydroxyl.,CCC[NH2+]C1C(C[NH+](C)CCOCC)CCC1(C)CO
SubComponent,Substitute a Cc1cc2[nH]c(=O)[nH]c2c(C)c1O in the molecule hydroxyl with a carboxyl.,Cc1cc2[nH]c(=O)[nH]c2c(C)c1C(=O)[OH]
DelComponent,Remove a hydroxyl from the molecule Cc1nccn1CCc1nc(CO)cs1.,Cc1csc(CCn2ccnc2C)n1
LogP,Modify the molecule CCN1C(=CC2=CC3=CC(=Cc4sc5ccc(Cl)cc5[n+]4CC)CCC3CC2)Sc2ccc(Cl)cc21 to have a lower LogP value.,CCN1C(=CC2=CC3=CC(=Cc4sc5ccccc5[n+]4CC)CCC3CC2)Sc2ccc(Cl)cc21
MR,Please optimize the molecule Cc1nc(NC(=O)COC(=O)C(NC(=O)c2ccco2)C(C)C)c(Cl)cc1Cl to have a higher MR value.,Cc1nc(NC(=O)COC(=O)C(NC(=O)c2ccc(-c3ccccc3)o2)C(C)C)c(Cl)cc1Cl
QED,Please optimize the molecule O=C(NCc1ccc2ncccc2c1)NCC1(O)CCCC1 to have a lower QED value.,O=C(NCc1ccc2ncccc2c1)NCC1(O)CCCC1O
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc(Cl)cc1S(=O)(=O)NCC(c1ccco1)[NH+](C)C
BondNum,"There is a molecule consisting of 24 single bonds, 1 double bond, 9 rotatable bonds, and 6 aromatic bonds.",COC1(CNC(=O)OCc2ccccc2)CCC(COC2CCCCO2)(OC)O1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 ketone group, and 5 halo groups.",CC(C)C(=O)c1nc(Oc2ccc(F)c(F)c2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
AddComponent,Add a amine to the molecule COc1ccc(Br)cc1CN(C)C(=O)CNC(=O)C([NH3+])C(C)C.,COc1ccc(Br)cc1C(N)N(C)C(=O)CNC(=O)C([NH3+])C(C)C
SubComponent,Modify the molecule halo by substituting a Cc1noc(Cn2cnc(S(=O)(=O)Cl)c2)n1 with a aldehyde.,CC(=O)S(=O)(=O)c1cn(Cc2nc(C)no2)cn1
DelComponent,Remove a thiol from the molecule CC(Cc1ccccc1C(=S)S)c1ccccc1.,CC(Cc1ccccc1C=S)c1ccccc1
LogP,Optimize the molecule C=CCc1cc(C=C2SC(=O)N(C(C)C(=O)OC)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 to have a lower LogP value.,C=CCc1cc(CC(C)(C(=O)S)C(=O)OC)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1
MR,Modify the molecule CC=Cn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccccc2)c1C(F)(F)F to decrease its MR value.,CC=Cn1nc(S(C)(=O)=O)c(-c2ccccc2)c1C(F)(F)F
QED,Modify the molecule Cc1ccc(S(=O)(=O)N2c3ccc(C(C(F)(F)F)C(F)(F)F)cc3CCC2CC(=O)NC2C3CCC(C3)C2CO)cc1 to have a higher QED value.,Cc1ccc(S(=O)(=O)N2c3ccc(C(C(F)(F)F)C(F)(F)F)cc3CCC2C2C3CCC(C3)C2CO)cc1
AtomNum,"The molecule consists of 30 carbon atoms, 9 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CCOC(=O)COc1cc(Br)c(C=c2sc3n(c2=O)C(c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC
BondNum,"The molecule has 11 single bonds, 4 rotatable bonds, and 15 aromatic bonds.",CCCc1nc2sc3c(OCC)ncnc3c2c2c1CCCC2
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 halo group.",Cc1nc(-c2ccncc2)nc(Cl)c1Cc1ccccc1
AddComponent,Modify the molecule Cc1ccc(Cn2nccc2NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cc1 by adding a amine.,Cc1ccc(C(N)n2nccc2NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cc1
SubComponent,Substitute a halo in the molecule CC(C)NC(=O)c1ccc2c(c1)ncn2CCNC(=O)Nc1ccc(Br)cc1F with a aldehyde.,CC(=O)c1ccc(NC(=O)NCCn2cnc3cc(C(=O)NC(C)C)ccc32)c(F)c1
DelComponent,Modify the molecule amine by removing a CN(CC1CCC1)c1ccc(C(F)(F)F)c(C(N)=[NH+]O)c1.,CN(CC1CCC1)c1ccc(C(F)(F)F)c(C=[NH+]O)c1
LogP,Modify the molecule Cc1ccc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)N4CCCC4)c3)CC2)cc1F to have a lower LogP value.,Cc1ccc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(NO)c(C(=O)N4CCCC4)c3)CC2)cc1F
MR,Please optimize the molecule CC(C)(C)OC(=O)C(C)(C)ON=C(C(=O)NC1C(=O)NC1CF)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 to have a higher MR value.,CC(C)(C)OC(=O)C(C)(CO)ON=C(C(=O)NC1C(=O)NC1CF)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
QED,Optimize the molecule C=CCN(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Cn1ccc(NC(=O)c2ccccc2)nc1=O to have a lower QED value.,C=CCN(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Cn1c(C(=O)O)cc(NC(=O)c2ccccc2)nc1=O
AtomNum,"The molecule has 20 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3ccccc3OC)S2(=O)=O)cc1
BondNum,"Please generate a molecule with 9 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",OCC[NH+](CCO)Cc1cccnc1Cl
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 2 amine groups, 1 nitro group, and 1 sulfone group.",CNS(=O)(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1
AddComponent,Please add a carboxyl to the molecule Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3ccncc3)c12.,Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3ccncc3C(=O)O)c12
SubComponent,Please substitute a Cc1ccc(C(C)Nc2ccc(C#N)cn2)cc1F in the molecule nitrile with a nitro.,Cc1ccc(C(C)Nc2ccc(NO)cn2)cc1F
DelComponent,Remove a O=c1ccn2c(n1)OC(CSc1cccc(OC(F)(F)F)c1)C2 from the molecule benzene ring.,O=c1ccn2c(n1)OC(CSOC(F)(F)F)C2
LogP,Modify the molecule Cc1cccc2c1CCN(C(=O)CCC(=O)[O-])C2 to have a higher LogP value.,Cc1cccc2c1CCC2CC(=O)[O-]
MR,Modify the molecule Cc1ncc2c(n1)CC[NH+](Cc1cc3ccccc3s1)C2 to increase its MR value.,Cc1ncc2c(n1)CC[NH+](Cc1cc3ccc(-c4ccccc4)cc3s1)C2
QED,Modify the molecule COc1cc(NC(C(=O)N2CCc3ccc(C(F)(F)F)cc32)c2ccc(Cl)cc2F)cc(OCCCC(=O)OC(C)(C)C)c1 to increase its QED value.,CC(=O)C(F)(F)c1ccc2c(c1)N(C(=O)C(Nc1cc(OC)cc(OCCCC(=O)OC(C)(C)C)c1)c1ccc(Cl)cc1F)CC2
AtomNum,"There is a molecule with 9 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 3 fluorine atoms.",C[NH+]=C(NCC1CC1)NCC(O)C(F)(F)F
BondNum,"Please generate a molecule consisting 5 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",O=CCCC(=O)C=Cc1ccccc1
FunctionalGroup,Please generate a molecule consisting and 1 amine group.,Nc1nc(=O)cc(-c2ccccn2)[nH]1
AddComponent,Add a hydroxyl to the molecule CCC[NH2+]C(C)Cc1csc(C(C)C[NH+](C)C)n1.,CCC[NH2+]C(C)Cc1nc(C(C)C[NH+](C)C)sc1O
SubComponent,Please substitute a CC(O)c1cnc(Cc2ccc(Br)cc2)o1 in the molecule hydroxyl with a aldehyde.,CC(=O)C(C)c1cnc(Cc2ccc(Br)cc2)o1
DelComponent,Please remove a hydroxyl from the molecule CC(Cl)C(Cl)=C(Cl)C(O)(O)O.,CC(Cl)C(Cl)=C(Cl)C(O)O
LogP,Modify the molecule CC([NH2+]CCNC(=O)C1CC1)c1cccnc1 to increase its LogP value.,CCCC[NH2+]C(C)c1cccnc1
MR,Modify the molecule Cc1ccc(S(=O)(=O)c2cc(-c3ccc(Cl)cc3)nc3c2ccc2ccccc23)cc1 to have a lower MR value.,Cc1ccc(S(=O)(=O)c2cc(-c3ccc(O)cc3)nc3c2ccc2ccccc23)cc1
QED,Please optimize the molecule CC(C)n1c(CC([NH3+])C(C)(C)C)nc2c(F)cccc21 to have a lower QED value.,CC(C)n1c(CC([NH3+])C(C)(C)C)nc2ccccc21
AtomNum,"The molecule consists of 8 carbon atoms, 3 oxygen atoms, and 1 bromine atom.",CCC(OC)C(C)(Br)C(=O)OC
BondNum,"The molecule contains 13 single bonds, 2 double bonds, 8 rotatable bonds, and 5 aromatic bonds.",CC[NH+](CC)CCOC(=O)c1[nH]cnc1N=NN(C)C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amide groups, and 1 nitro group.",O=C(NC1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCC1
AddComponent,Add a hydroxyl to the molecule C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1.,C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1O
SubComponent,Modify the molecule halo by substituting a CC1(O)CCCN(S(=O)(=O)c2cc(C(=O)[O-])sc2Br)CC1 with a aldehyde.,CC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N1CCCC(C)(O)CC1
DelComponent,Remove a amine from the molecule CS(=O)(=O)NC(=O)C1CC2(c3ccc(F)cc3)NC1CCC2[NH2+]Cc1cc(OC(F)(F)F)ccc1OC1CC1.,CS(=O)(=O)NC(=O)C1CC2(c3ccc(F)cc3)C([NH2+]Cc3cc(OC(F)(F)F)ccc3OC3CC3)CCC12
LogP,Please modify the molecule O=C(C[NH+]1CCN(C(=O)Cc2ccc(F)cc2)CC1)Nc1cc(Cl)ccc1F to increase its LogP value.,O=C(C[NH+]1CCN(C(=O)Cc2ccc(S)cc2)CC1)Nc1cc(Cl)ccc1F
MR,Modify the molecule CCOc1ccc(C2(C(O)C[NH3+])COC2)cc1 to increase its MR value.,CCOc1ccc(C2(C(O)C[NH3+])COC2)cc1N
QED,Modify the molecule COc1cccc(C2CC(Br)CN2S(=O)(=O)c2ccc(C)cc2)c1OC to have a higher QED value.,COc1cccc(C2CC(O)CN2S(=O)(=O)c2ccc(C)cc2)c1OC
AtomNum,"There is a molecule with 10 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC([NH2+]C(C)C(C)(C)O)c1ncc[nH]1
BondNum,"The molecule contains 17 single bonds, 2 double bonds, and 2 rotatable bonds.",CC1C[NH+](CC(=O)N2CCC(=O)CC2)CC(C)S1
FunctionalGroup,There is a molecule consisting of and 1 amine group.,C1=C[N+]2(N(c3ccc4ccc(-c5ccccn5)nc4c3)C3(C[NH+]4CCC4)CCC3)C=[NH+]C=C2C=N1
AddComponent,Add a hydroxyl to the molecule Cc1nn(C)c(C)c1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1.,Cc1nn(C)c(C)c1C(=O)Nc1cc(O)c(N2CC[NH2+]CC2)cn1
SubComponent,Please substitute a halo in the molecule C[NH2+]C(C)c1ccc(SCCCOC)c(Br)c1 with a nitrile.,C[NH2+]C(C)c1ccc(SCCCOC)c(C#N)c1
DelComponent,Modify the molecule benzene ring by removing a N#CC1(c2cccc(N)c2)CC2(COC2)C1.,N#CC1(N)CC2(COC2)C1
LogP,Modify the molecule Cc1nc(-c2cc(Br)c(Br)o2)nc(N)c1C to increase its LogP value.,Cc1cnc(-c2cc(Br)c(Br)o2)nc1C
MR,Optimize the molecule O=c1nc(Nc2ccc(Cl)cc2Cl)[nH]c2nccc(-c3ccc([N+](=O)[O-])cc3)c12 to have a lower MR value.,O=c1nc(-c2ccc(Cl)cc2Cl)[nH]c2nccc(-c3ccc([N+](=O)[O-])cc3)c12
QED,Please optimize the molecule CN(c1ccc(Oc2ccc(C(=O)NO)cn2)cc1)c1ncnc2ccccc12 to have a higher QED value.,CN(c1ccc(Oc2ccc(C(=O)NC(=O)[OH])cn2)cc1)c1ncnc2ccccc12
AtomNum,"The molecule has 18 carbon atoms, 2 nitrogen atoms, and 1 fluorine atom.",C[NH2+]C(c1ccncc1F)C12CC3CC(CC(C)(C3)C1)C2
BondNum,"The molecule consists of 6 single bonds, 1 double bond, 4 rotatable bonds, and 30 aromatic bonds.",Cn1c2nc(C(O)c3ccccn3)sc2c2cnn(Cc3cccc4[nH]ncc34)c(=O)c21
FunctionalGroup,Please generate a molecule with and 1 sulfone group.,CCOS(=O)(=O)C1=CC2C=CC1C2
AddComponent,Modify the molecule Cc1cnc(=O)n(CC(O)C2CCCC2)c1 by adding a hydroxyl.,O=c1ncc(CO)cn1CC(O)C1CCCC1
SubComponent,Modify the molecule CC1(c2ccc(F)c(S(N)(=O)=O)c2)OCCO1 by substituting a halo with a nitro.,CC1(c2ccc(NO)c(S(N)(=O)=O)c2)OCCO1
DelComponent,Please remove a hydroxyl from the molecule Cc1ccc(C)c(C(=O)Nc2cccc(C#CCO)c2)c1.,CC#Cc1cccc(NC(=O)c2cc(C)ccc2C)c1
LogP,Optimize the molecule CCCC[NH+](CC)CCC([NH2+]CCC)c1ccccc1Cl to have a lower LogP value.,CCCC[NH+](CC)CCC(Cl)[NH2+]CCC
MR,Modify the molecule CC1CCC(C)N(C(=O)c2ccc(I)c(O)c2)C1 to have a lower MR value.,CC1CCC(C)N(C(=O)[IH]O)C1
QED,Please optimize the molecule [NH3+]Cc1ccc(C(=O)c2cc(Br)ccc2F)cc1 to have a lower QED value.,[NH3+]CC(=O)c1cc(Br)ccc1F
AtomNum,"The molecule is composed of 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",CCCC(OC)C(Cc1cc(F)cc(Br)c1)NN
BondNum,"The molecule has 11 single bonds, 3 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cccnc3)c2C)cc1
FunctionalGroup,"There is a molecule consisting of 1 thioether group, and 1 thiol group.",CC(=CCCC(C)CCC1=CC=C(C)C(C)C1S)CCCC(C)=CCCC(C)C(=O)[O-]
AddComponent,Please add a benzene ring to the molecule Cn1cccc1C[NH+](Cc1ccco1)CC(C)(C)O.,Cn1cccc1C[NH+](Cc1cc(-c2ccccc2)co1)CC(C)(C)O
SubComponent,Please substitute a N#CC(CCl)c1ncc(F)cn1 in the molecule halo with a nitro.,N#CC(CNO)c1ncc(F)cn1
DelComponent,Modify the molecule COc1coc(C(=O)Nc2cc(Cl)ccc2Cl)cc1=O by removing a halo.,COc1coc(C(=O)Nc2ccccc2Cl)cc1=O
LogP,Please modify the molecule CCC1(CC)C(O)CC1c1ccc(F)cc1F to decrease its LogP value.,CCC1(CC)C(O)CC1c1ccc(O)cc1F
MR,Optimize the molecule [N-]=[N+]=C1CC=CC(Br)=C1Br to have a lower MR value.,[N-]=[N+]=C1C=C(Br)C=CC1
QED,Please modify the molecule Cc1nn(C)cc1NCc1ccccc1O to decrease its QED value.,Cc1nn(C)cc1NCO
AtomNum,"There is a molecule with 13 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",Cc1nn(C)c(C=N)c1C(=O)Nc1ccc([N+](=O)[O-])cc1
BondNum,"The molecule has 14 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",COc1cccc(F)c1C(C)[NH2+]CC(C)(C)C[NH+](C)C
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 halo group.",Clc1cccc(Cn2nc(C[NH2+]Cc3ccco3)c(-c3ccccc3)n2)c1
AddComponent,Add a hydroxyl to the molecule C=C(C)COOCCOC(=O)C(C)(C)CC.,CCC(C)(C)C(=O)OCCOOCC(C)=CO
SubComponent,Please substitute a CCNC(NCCS(=O)(=O)c1ccccc1F)=[NH+]Cc1ccc(CC)s1 in the molecule halo with a aldehyde.,CC(=O)c1ccccc1S(=O)(=O)CCNC(NCC)=[NH+]Cc1ccc(CC)s1
DelComponent,Please remove a Cc1nc(COc2ccccc2C(=O)NCc2ccccc2OC(F)(F)F)no1 from the molecule benzene ring.,Cc1nc(COC(=O)NCc2ccccc2OC(F)(F)F)no1
LogP,Modify the molecule Cc1cc(C)c(C2CCC(CC3CCC(=O)CC3)C2=O)c(C)c1 to have a lower LogP value.,CCCC1CCC(CC2CCC(=O)CC2)C1=O
MR,Modify the molecule C[NH2+]C(C(=O)NC(CCCC(CO)N(CCC(C)C)S(=O)(=O)c1ccc(CO)cc1)C(C)C)C(c1ccccc1)c1ccccc1 to decrease its MR value.,C[NH2+]C(C(=O)NC(CCCC(CO)N(CCC(C)C)S(=O)(=O)c1ccc(C)cc1)C(C)C)C(c1ccccc1)c1ccccc1
QED,Modify the molecule NNC(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1-c1ccccc1 to have a higher QED value.,NC(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1-c1ccccc1
AtomNum,"The molecule contains 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",CC(Oc1cccc2ccccc12)C(N)=S
BondNum,"Please generate a molecule composed of 6 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",Cc1nc2ccc(C(=O)[O-])cc2n1-c1ccc(F)c(Cl)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amide groups, 1 halo group, and 1 sulfide group.",O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCCC(=O)N1CCCCCC1
AddComponent,Add a hydroxyl to the molecule Cc1noc(-c2ccc(Br)cc2)c1C(O)c1cccc(-c2ccccc2)c1.,Cc1noc(-c2ccc(Br)cc2)c1C(O)c1cccc(-c2ccccc2)c1O
SubComponent,Please substitute a halo in the molecule CC1(C)C=C2C(=O)C(Br)OC(Br)=C2C1 with a carboxyl.,CC1(C)C=C2C(=O)C(C(=O)[OH])OC(Br)=C2C1
DelComponent,Remove a amide from the molecule O=C([O-])C1CC2CCCCC2N1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1.,O=C([O-])C1CC2CCCCC2N1S(=O)(=O)C1CC1C1CCC1
LogP,Modify the molecule COC(=O)C1CCN(C(=O)Cc2ccon2)c2ccccc21 to have a higher LogP value.,COC(=O)C1CCN(C(=O)Cc2ccon2)c2c(-c3ccccc3)cccc21
MR,Optimize the molecule O=C1OCc2ccc(Cl)cc2CN1Cc1ccccc1 to have a lower MR value.,O=C1OCc2ccc(O)cc2CN1Cc1ccccc1
QED,Please modify the molecule C[NH+](C)CCCNc1cc(NCCC2=CCCCC2)ncn1 to increase its QED value.,C[NH+](C)CCCNc1cc(CCC2=CCCCC2)ncn1
AtomNum,"There is a molecule with 21 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",COCc1nc2c(C(=O)NC(C#N)c3ccco3)cccn2c1C[NH+]1CCOCC1
BondNum,"The molecule contains 20 single bonds, 1 double bond, and 4 rotatable bonds.",O=C(CC1CCC[NH2+]C1)NC1CC[NH+](C2CC2)CC1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, and 1 halo group.",C[NH2+]CC(O)C(Oc1ccc(Cl)cc1)c1ccccc1
AddComponent,Modify the molecule N#Cc1ccnc(N2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)c1 by adding a aldehyde.,N#Cc1ccnc(N2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2CC=O)c1
SubComponent,Modify the molecule nitrile by substituting a Cc1nc(SC(C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c(C#N)c(C)c1C with a thiol.,Cc1nc(SC(C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c(S)c(C)c1C
DelComponent,Modify the molecule benzene ring by removing a O=c1n(Cc2ccc(C(F)(F)F)cc2)nc2c(NCc3ncco3)c(-c3ccc(Cl)cc3)cnn12.,O=c1n(Cc2ccc(C(F)(F)F)cc2)nc2c(NCc3ncco3)c(Cl)cnn12
LogP,Please modify the molecule CCCC(C)C(=O)Cc1cccc(C(F)(F)F)c1 to decrease its LogP value.,CCCC(C)C(=O)Cc1cccc(C(F)(F)C(=O)[OH])c1
MR,Please modify the molecule COc1ccc(CC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 to increase its MR value.,COc1ccc(CC(=O)NCc2ccc(COCC(O)(F)F)cc2)cc1
QED,Please optimize the molecule CCCCn1nc(C)c(C=CC(=O)Nc2ccccc2C[NH+]2CCCC2C(N)=O)c1Cl to have a lower QED value.,CCCCn1nc(C)c(C=CC(=O)Nc2ccccc2C[NH+]2CCCC2C(N)=O)c1C(=O)[OH]
AtomNum,"There is a molecule consisting of 23 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",O=C(CC1CN(C(=O)Nc2ccccc2)CC[NH2+]1)NCc1ccc2c(c1)CCC2
BondNum,"Please generate a molecule with 14 single bonds, 3 rotatable bonds, and 5 aromatic bonds.",Cc1nc(C2C[NH+](C(C)C)CCO2)sc1C(C)[NH3+]
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 hydroxyl groups.",COc1cc(C[NH2+]C2(CO)CCCC2)cc(OC)c1O
AddComponent,Add a hydroxyl to the molecule CCCCCCC(O)COC(O)C(O)C(O)C(O)C(O)CO.,CCCCCCC(O)COC(O)C(O)C(O)C(O)C(O)C(O)O
SubComponent,Modify the molecule halo by substituting a Cc1ccc(NC(=O)C[NH2+]C(C)(C(N)=O)c2ccccc2)c(Cl)c1 with a carboxyl.,Cc1ccc(NC(=O)C[NH2+]C(C)(C(N)=O)c2ccccc2)c(C(=O)[OH])c1
DelComponent,Modify the molecule CCC(C)n1ccc(CC(NN)c2ccc(SC)cc2)n1 by removing a amine.,CCC(C)n1ccc(CC(N)c2ccc(SC)cc2)n1
LogP,Please modify the molecule C=C(CCC1(O)OC2CC3C4CC=C5CC(O)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O to increase its LogP value.,C=C(CCC1(O)OC2CC3C4CC=C5CC(O)C(O)C(OC6OC(CO)C(O)C(O)C6O)(c6ccccc6)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O
MR,Optimize the molecule CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 to have a higher MR value.,CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccc(F)cc2O)CC1
QED,Optimize the molecule CCOC(=O)c1ccc(CCCBr)cc1CCl to have a higher QED value.,CCOC(=O)c1c(O)cc(CCCBr)cc1CCl
AtomNum,"There is a molecule consisting of 15 carbon atoms, 3 nitrogen atoms, and 1 chlorine atom.",CCC(CC)N(CCCl)c1cnc2ccccc2n1
BondNum,"The molecule contains 5 single bonds, 3 double bonds, and 6 aromatic bonds.",O=C1N=c2ccc(Cl)cc2=CC1F
FunctionalGroup,"The molecule has 2 benzene ring groups, and 4 amine groups.",Nc1ccc(Oc2[nH]ccc(=O)c2Oc2ccc(N)cc2N)c(N)c1
AddComponent,Please add a hydroxyl to the molecule COc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)[NH+]3CCN(c4nc5ccccc5s4)CC3)cc2c1.,COc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3O)[NH+]3CCN(c4nc5ccccc5s4)CC3)cc2c1
SubComponent,Modify the molecule halo by substituting a CC(=O)NC1CCCN(C(=O)c2cc(Cl)nnc2Cl)C1 with a nitro.,CC(=O)NC1CCCN(C(=O)c2cc(NO)nnc2Cl)C1
DelComponent,Please remove a amide from the molecule CCNC(NCCC(=O)N1CCCCC1C)=[NH+]Cc1cccc(OCC)c1OC(F)F.,CCNC(NC1CCCCC1C)=[NH+]Cc1cccc(OCC)c1OC(F)F
LogP,Modify the molecule [NH3+]C1CCC(NC(=O)CCn2nnc3ccccc3c2=O)CC1 to have a higher LogP value.,[NH3+]C1CCC(Cn2nnc3ccccc3c2=O)CC1
MR,Modify the molecule COc1ccccc1CCC(C)CC(C)CO to have a lower MR value.,COCCC(C)CC(C)CO
QED,Modify the molecule Fc1ccc(-c2cnnc(SCC[NH+]3CCOCC3)n2)cc1F to have a lower QED value.,Oc1ccc(-c2cnnc(SCC[NH+]3CCOCC3)n2)cc1F
AtomNum,"The molecule is composed of 21 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",COc1ccccc1CN(c1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1
BondNum,"The molecule consists of 17 single bonds, 4 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",Cc1cc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)n1CC(C)C
FunctionalGroup,"Please generate a molecule consisting 2 amide groups, and 1 halo group.",Cn1cc(NC(=O)CCn2cc(Br)cn2)c(C(=O)NCc2ccco2)n1
AddComponent,Please add a benzene ring to the molecule CC(C[NH+]1CCCCC1)S(=O)(=O)[O-].,CC(C[NH+]1CCCC(c2ccccc2)C1)S(=O)(=O)[O-]
SubComponent,Modify the molecule CCOC(=O)OCOC(=O)C1C2CCC(CC2)C1Nc1nc(-c2cnc3ncc(Cl)[nH]c2-3)nc(-c2ccc(Cl)s2)c1F by substituting a halo with a nitrile.,CCOC(=O)OCOC(=O)C1C2CCC(CC2)C1Nc1nc(-c2cnc3ncc(C#N)[nH]c2-3)nc(-c2ccc(Cl)s2)c1F
DelComponent,Please remove a halo from the molecule Cc1ccc(CC(CBr)(CBr)c2ccccc2Cl)c(Cl)c1.,Cc1ccc(CC(C)(CBr)c2ccccc2Cl)c(Cl)c1
LogP,Please modify the molecule CCN(Cc1nccn1C(F)F)C1CCC[NH2+]C1 to decrease its LogP value.,CC(=O)C(F)n1ccnc1CN(CC)C1CCC[NH2+]C1
MR,Modify the molecule OCC1OC(OCCCCC#CC=Cc2ccccc2)C=CC1O to have a higher MR value.,O=C([OH])CC1OC(OCCCCC#CC=Cc2ccccc2)C=CC1O
QED,Optimize the molecule O=C(NC(Cc1ccccc1)C(=O)NC1CC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 to have a lower QED value.,O=C(NC(Cc1ccccc1)C(=O)NC1CC1)C1CCN(C(=O)c2ccc(C(F)(F)S)cc2)CC1
AtomNum,"There is a molecule with 21 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 2 fluorine atoms.",COc1cc(-c2ccc(NCc3ncc(F)cc3F)nn2)ccc1-n1cnc(C)c1
BondNum,"The molecule has 12 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",[NH3+]Cc1c(C(F)F)cnc(OC(F)(F)F)c1S(=O)(=O)Cl
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amine group.",COc1ccc(CN(C)CC([NH3+])COc2cncc(-c3cc4c(cnc5cc(OC)c(OC)cc54)c(N)n3)c2)cc1
AddComponent,Add a benzene ring to the molecule COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O.,COc1cc(NC(=O)c2ccc(N3CCCC3c3ccccc3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O
SubComponent,Substitute a O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1c1cccnc1)c1ccco1 in the molecule hydroxyl with a carboxyl.,O=C([OH])C1=C(C(=O)c2ccco2)C(c2cccnc2)N(c2ccc(Cl)cc2)C1=O
DelComponent,Please remove a amine from the molecule COc1ccc(C(SCC2(C)OC(n3cnc4c(=O)nc([NH+]=CN(C)C)[nH]c43)C(O)=C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.,COc1ccc(C(SCC2(C)OC(n3cnc4c(=O)nc(CN(C)C)[nH]c43)C(O)=C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
LogP,Please optimize the molecule Cc1nc(-c2cccnc2)nc(NCC2(O)CCCC(C(F)(F)F)C2)c1C to have a higher LogP value.,Cc1nc(-c2cccnc2)nc(CC2(O)CCCC(C(F)(F)F)C2)c1C
MR,Modify the molecule [NH3+]C1(c2noc(-c3ccc(OC(F)F)cc3)n2)CCC1 to decrease its MR value.,[NH3+]C1(c2noc(OC(F)F)n2)CCC1
QED,Modify the molecule Clc1ccc(C=Cc2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1 to increase its QED value.,ClC=Cc1c2ccccc2c(-c2ccccc2)c2ccccc12
AtomNum,"Please generate a molecule consisting 54 carbon atoms, 9 oxygen atoms, and 2 nitrogen atoms.",COC(=O)c1nnc(C(=O)OC)c(C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccccc2)OCc2ccccc2)c1-c1ccccc1
BondNum,"Please generate a molecule consisting 6 single bonds, 4 rotatable bonds, and 15 aromatic bonds.",C[NH2+]Cc1ccnn1Cc1nn(C)c2ccccc12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 hydroxyl groups, and 1 halo group.",Cc1cn(C(c2ccccc2)C(O)CO)c2c(Cl)cccc12
AddComponent,Modify the molecule CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2C1c1cccc([N+](=O)[O-])c1 by adding a hydroxyl.,CCCCC(=O)N1c2ccccc2N=C2CC(C)(CO)CC(=O)C2C1c1cccc([N+](=O)[O-])c1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(-n2c3c(cc(C(=O)Nc4ccc(F)cc4)c2=O)C(=O)CCC3)cc1 with a aldehyde.,CC(=O)c1ccc(NC(=O)c2cc3c(n(-c4ccc(C)cc4)c2=O)CCCC3=O)cc1
DelComponent,Modify the molecule hydroxyl by removing a CCCC(O)c1ccccc1F.,CCCCc1ccccc1F
LogP,Modify the molecule COc1ccc(CCC(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1C to have a higher LogP value.,COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1C
MR,Please modify the molecule OC(Cc1nc(N2CCCCC2)no1)c1ccccc1 to increase its MR value.,OC(c1ccccc1)C(c1ccccc1)c1nc(N2CCCCC2)no1
QED,Modify the molecule Cc1cc(C)cc(C(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)c1 to have a lower QED value.,Cc1cc(C)cc(C(=O)Nc2ccc(Nc3cc(-n4ccnc4O)nc(C)n3)cc2)c1
AtomNum,"There is a molecule consisting of 24 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",O=C(COC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1)NCc1ccccc1F
BondNum,"Please generate a molecule consisting 12 single bonds, 2 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",COc1cc(NC(=O)COC(=O)c2oc3c(Cl)cccc3c2C)cc(OC)c1
FunctionalGroup,There is a molecule composed of and 3 halo groups.,CC(C)n1c(C(F)(F)F)nc2cccnc21
AddComponent,Modify the molecule COc1cc2c(cc1Nc1ncc(Cl)c(NC3C4C=CC(C4)C3C(N)=O)n1)CCCC([NH+]1CCOCC1)C2 by adding a amine.,COc1cc2c(cc1Nc1ncc(Cl)c(NC3C4C=CC(C4)C3(N)C(N)=O)n1)CCCC([NH+]1CCOCC1)C2
SubComponent,Modify the molecule Cc1ccc(C(=O)C=CCF)c(O)c1 by substituting a halo with a aldehyde.,CC(=O)CC=CC(=O)c1ccc(C)cc1O
DelComponent,Please remove a amide from the molecule Cc1cccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(C(C)(C)C)c3C)C2=O)c1.,Cc1cccc(N2C(=O)NC(=Cc3cc(C)n(C(C)(C)C)c3C)C2=O)c1
LogP,Modify the molecule COc1ccc(C2C(CO)OCCN2C(=O)CCc2cccnc2)cc1OC to increase its LogP value.,COc1ccc(C2C(C)OCCN2C(=O)CCc2cccnc2)cc1OC
MR,Modify the molecule C#Cc1cc(Cl)ccc1-c1ccc(OC)c2cccc(OC)c12 to increase its MR value.,C#Cc1cc(S)ccc1-c1ccc(OC)c2cccc(OC)c12
QED,Please modify the molecule COc1ccc(C(=O)NC(C)C)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2C)CC1 to decrease its QED value.,COc1ccc(C(=O)NC(C)C)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)Nc3ccc(S)cc3)c2C)CC1
AtomNum,"The molecule has 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",COC(=O)CC[NH+](Cc1ccc(C#N)cc1F)C(C)C
BondNum,"Please generate a molecule composed of 20 single bonds, 1 double bond, 8 rotatable bonds, and 12 aromatic bonds.",CCOc1c(OC)cc(CNC(=[NH+]C)N2CC[NH+](Cc3ccccc3)CC2)cc1OC
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 2 amine groups.",CC(C)C(C)C[NH2+]C(CC(N)=[NH+]O)c1ccccc1
AddComponent,Please add a benzene ring to the molecule CC(C)(c1cccc(C2=CCC(C(=O)[O-])=N2)c1)C(F)(F)F.,CC(C)(c1cccc(C2=CC(c3ccccc3)C(C(=O)[O-])=N2)c1)C(F)(F)F
SubComponent,Substitute a halo in the molecule O=C(SCCC(F)(F)CC(F)(F)C(F)CF)c1ccccc1 with a hydroxyl.,O=C(SCCC(O)(F)CC(F)(F)C(F)CF)c1ccccc1
DelComponent,Remove a halo from the molecule Nc1cc([S-])cc2sc(F)cc12.,Nc1cc([S-])cc2sccc12
LogP,Optimize the molecule CC(CNC(=O)C1[NH2+]CCc2ccccc21)S(C)=O to have a lower LogP value.,CC(CNC(=O)C1[NH2+]CCc2cccc(C(=O)O)c21)S(C)=O
MR,Please optimize the molecule CC[NH2+]Cc1cc(Cl)cc(S(=O)(=O)NCC(F)(F)F)c1C to have a higher MR value.,CC[NH2+]Cc1c(C)c(S(=O)(=O)NCC(F)(F)F)cc(Cl)c1O
QED,Please optimize the molecule C#CC(C)(C)[NH2+]Cc1cccc(Br)c1O to have a lower QED value.,C#CC(C)(C)[NH2+]Cc1cccc(C#N)c1O
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCCCCCCCC(CC(=O)Nc1ccccc1)CC(C)[N+](=O)[O-]
BondNum,"Please generate a molecule composed of 8 single bonds, 3 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCCNC(=O)C=Cc1ccc([N+](=O)[O-])[nH]1
FunctionalGroup,"The molecule consists of 1 aldehyde group, 1 amide group, and 1 halo group.",CC(CC(=O)N1CCCC2C(C=O)CCCC21)c1cn(C)c2nccc(-c3ccc(F)o3)c12
AddComponent,Please add a benzene ring to the molecule CC(C)CC(c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1.,CC(C)CC(c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F with a nitrile.,Cc1c(C#N)c(C(F)(F)F)nn1C(C)C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F
DelComponent,Please remove a COc1ccc(C)cc1NC(=O)C(C)OC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 from the molecule amide.,COc1ccc(C)cc1NC(=O)C(C)OC(=O)c1cc(OC)c(O)c(OC)c1
LogP,Modify the molecule Cc1ccc2nc(NC(=O)COC(=O)c3ccccc3SCC(=O)Nc3nc4ccc(C)cc4s3)sc2c1 to have a lower LogP value.,Cc1ccc2nc(NC(=O)COC(=O)SCC(=O)Nc3nc4ccc(C)cc4s3)sc2c1
MR,Optimize the molecule CCCCCC=CCC=CCC=CCC=CCCCCCCCC(=O)OC(CCCCCCCCCCC)CCCCCC(=O)[O-] to have a higher MR value.,CCCCCC=CCC=CCC=CCC=CCCCCCCCC(=O)OC(CCCCCC(=O)[O-])CCCC(CCCCCCC)C(=O)O
QED,Please optimize the molecule CCC1CCC(O)(C[NH2+]CCc2ccc(OC)cc2)CC1 to have a lower QED value.,COc1ccc(CC[NH2+]CC2(O)CCC(CCc3ccccc3)CC2)cc1
AtomNum,"The molecule is composed of 20 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CC(C)[NH+]1CCC(NC(=O)Nc2cccc(OCc3ccccn3)c2)C1
BondNum,"Please generate a molecule consisting 5 single bonds, 3 rotatable bonds, and 15 aromatic bonds.",Cc1ccc(CNc2nc3ccc(Cl)cc3s2)s1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 ketone group, and 1 ester group.",COC(=O)C(=C(Cc1ccccc1)C(=O)c1ccc(OC)cc1)c1cc(OC)c2c(c1)OCO2
AddComponent,Add a nitrile to the molecule CCn1c(C)cc(C=NNC(=O)c2cc3cc(Br)cc(OC)c3o2)c1C.,COc1cc(Br)cc2cc(C(=O)NN=Cc3cc(C)n(CCC#N)c3C)oc12
SubComponent,Substitute a halo in the molecule CCOC(=O)N1CCN(C(=O)COC(=O)c2sc3ccccc3c2Cl)CC1 with a hydroxyl.,CCOC(=O)N1CCN(C(=O)COC(=O)c2sc3ccccc3c2O)CC1
DelComponent,Modify the molecule amine by removing a Cc1ccc(C(=O)Nc2ccccc2N)cc1C.,Cc1ccc(C(=O)Nc2ccccc2)cc1C
LogP,Modify the molecule COc1cc(F)cc2c1cc(C(=O)[O-])n2C to have a lower LogP value.,COc1cccc2c1cc(C(=O)[O-])n2C
MR,Please optimize the molecule O=C([O-])c1ccc2c(=O)n(Cc3ccccc3)c(SCc3nc(=O)c4ccccc4[nH]3)nc2c1 to have a lower MR value.,Cn1c(SCc2nc(=O)c3ccccc3[nH]2)nc2cc(C(=O)[O-])ccc2c1=O
QED,Please optimize the molecule Cc1cc(C(C)NC(=O)C([NH3+])CCS(C)(=O)=O)c(C)s1 to have a higher QED value.,Cc1cc(C(C)C([NH3+])CS(C)(=O)=O)c(C)s1
AtomNum,"Please generate a molecule consisting 31 carbon atoms, and 2 nitrogen atoms.",CCCCCCCCCCCCCCCCCCC(C[N+](C)(C)C)[N+](C)(C)c1ccccc1
BondNum,"There is a molecule with 21 single bonds, 1 double bond, 8 rotatable bonds, and 16 aromatic bonds.",CCOC(=O)Cc1ccc(C)c(OCC[NH+]2CCN(c3nc4ccc(C(F)(F)F)cc4s3)CC2)c1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, and 1 sulfide group.",Cc1nc(-c2cccc(NC(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)c2)n[nH]1
AddComponent,Add a carboxyl to the molecule CC(=O)CCc1ccc(OCC(=O)Nc2ccccc2Br)cc1.,CC(=O)CCc1ccc(OCC(=O)Nc2c(Br)cccc2C(=O)O)cc1
SubComponent,Substitute a halo in the molecule CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C(F)(F)F)n(C3CC3)c(=O)c12 with a thiol.,CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C(F)(F)S)n(C3CC3)c(=O)c12
DelComponent,Remove a amide from the molecule O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1nc2ccccc2s1.,O=C(CC[SH]1C(=S)C1c1ccc2c(c1)OCO2)Nc1nc2ccccc2s1
LogP,Please optimize the molecule CCCNc1ncnc(OC(C)(C)C)c1OC to have a higher LogP value.,COc1c(NCCCc2ccccc2)ncnc1OC(C)(C)C
MR,Please optimize the molecule Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cs1 to have a lower MR value.,Cc1cc(C(=O)NS(=O)(=O)N(C)C)cs1
QED,Optimize the molecule Cc1ccc(S(=O)(=O)C2(C(O)c3ccccc3)OC2CO)cc1 to have a lower QED value.,Cc1ccc(S(=O)(=O)C2(C(Br)c3ccccc3)OC2CO)cc1
AtomNum,"The molecule contains 15 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC(C)Cc1ccc(C[NH2+]CCC(C)O)cc1
BondNum,"There is a molecule composed of 11 single bonds, 2 double bonds, 1 triple bond, 3 rotatable bonds, and 12 aromatic bonds.",CCc1cccc(-c2ccccc2C2(F)CC=CC(C#N)=C2F)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 1 sulfone group.",Cc1[nH]c(C(=O)N2CCN(c3ccccc3)CC2)c(C)c1S(=O)(=O)N1CCCCCC1
AddComponent,Modify the molecule COCC[NH+]1CCCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 by adding a hydroxyl.,COCC[NH+]1CCCN(C(=O)c2cc(Br)c(Cl)cc2O)CC1
SubComponent,Substitute a nitrile in the molecule CC[NH2+]C1CCCN(c2ccc(C#N)cc2)C1=O with a carboxyl.,CC[NH2+]C1CCCN(c2ccc(C(=O)[OH])cc2)C1=O
DelComponent,Modify the molecule CC1[NH2+]CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1C by removing a amide.,CC1[NH2+]CCN(C(=O)c2ccc(S(=O)(=O)N3CC3)cc2)C1C
LogP,Optimize the molecule CCOC(=O)C(OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(C)nn(C)c4c3)sc2c1-c1ccc(Cl)cc1 to have a lower LogP value.,CCOC(=O)C(OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(C)nn(C)c4c3)sc2c1-c1ccccc1
MR,Optimize the molecule CC1(C)CC(=O)N(CC(Cl)C#N)C1=O to have a higher MR value.,CC1(C)C(=O)N(CC(Cl)C#N)C(=O)C1O
QED,Optimize the molecule Fc1cccc(CC2(CCl)CCCOC2)c1Cl to have a higher QED value.,O=C([OH])c1cccc(CC2(CCl)CCCOC2)c1Cl
AtomNum,"Please generate a molecule with 12 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CC1CC(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1
BondNum,"Please generate a molecule with 15 single bonds, 1 double bond, and 7 rotatable bonds.",CC[NH2+]C(CN(CC)C1CCCC1)C(=O)[O-]
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 ester group.",CC(C)(C)OC(=O)N1CC(CO[Si](C)(C)C(C)(C)C)CC1C(=O)OCc1ccccc1
AddComponent,Add a nitrile to the molecule Cc1ccc(S(=O)(=O)c2nc(C=C3N(C)c4ccccc4C3(C)C)sc2Cl)cc1.,Cc1ccc(S(=O)(=O)c2nc(C=C3N(C)c4ccccc4C3(C)CC#N)sc2Cl)cc1
SubComponent,Please substitute a hydroxyl in the molecule Cc1ccc(C(O)C2OCCC2C)cn1 with a halo.,Cc1ccc(C(I)C2OCCC2C)cn1
DelComponent,Remove a benzene ring from the molecule O=c1occ(-c2ccccc2)n2c1cc1ccccc12.,O=c1occn2c1cc1ccccc12
LogP,Modify the molecule O=C([O-])CN1C(=O)C2(CCCC2)c2cc(F)ccc21 to decrease its LogP value.,O=C([O-])CN1C(=O)C2(CCCC2)c2cc(C(=O)[OH])ccc21
MR,Modify the molecule CCc1nnc(Nc2ccc(-c3cccc(Cl)c3)nn2)s1 to have a higher MR value.,CC(=O)c1cccc(-c2ccc(Nc3nnc(CC)s3)nn2)c1
QED,Modify the molecule CCC1CCCC(NC(=O)N2CCCCC2c2ccn[nH]2)C1 to have a lower QED value.,CCC1CCCC(NC(=O)N2CCC(S)CC2c2ccn[nH]2)C1
AtomNum,"The molecule contains 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1noc(C)c1N(C)CC(=O)N1CCCCC1C
BondNum,"There is a molecule consisting of 15 single bonds, 3 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)COc2cc(C)ccc2C(C)C)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 ester group.",CCOC(=O)C(CCc1ccccc1)CN(C)C(=O)N1Cc2ccccc2CC1C(=O)[O-]
AddComponent,Modify the molecule O=C(c1ccccc1S(O)(O)O)n1cnc2ccccc21 by adding a amine.,Nc1cccc2c1ncn2C(=O)c1ccccc1S(O)(O)O
SubComponent,Substitute a CCCc1nnsc1C(O)c1c(Br)cnn1CCC in the molecule halo with a carboxyl.,CCCc1nnsc1C(O)c1c(C(=O)[OH])cnn1CCC
DelComponent,Modify the molecule amide by removing a Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCc1cc(Cl)c2c(c1)OCCO2.,Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCc1cc(Cl)c2c(c1)OCCO2
LogP,Please modify the molecule CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 to decrease its LogP value.,CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1N
MR,Optimize the molecule CCCN(C(=O)CCC1CC[NH2+]CC1)C(CC)c1ccccc1 to have a lower MR value.,CCCN(CCC)C(=O)CCC1CC[NH2+]CC1
QED,Modify the molecule O=C(Cc1ccccc1)C1=C([O-])c2ccccc2CC1=O to decrease its QED value.,CC(=O)C1=C([O-])c2ccccc2CC1=O
AtomNum,"The molecule contains 34 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 iodine atom.",CCOc1cc(C2C3=C(CCCC3=O)N(CCCOC)C3=C2C(=O)CCC3)cc(I)c1OCc1cc(C)cc(C)c1
BondNum,"The molecule is composed of 13 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)C([NH2+]CCO)c1cccc(C(F)(F)F)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 sulfone group.",O=S(=O)(C1CC1c1ccccc1)N1CCOC2(CCOCC2)C1
AddComponent,Add a hydroxyl to the molecule C[NH+](C)CNc1ccc2ccccc2c1.,C[NH+](C)CNc1ccc2ccc(O)cc2c1
SubComponent,Substitute a hydroxyl in the molecule CCC(c1ccc(OC)cc1)C(O)(c1ccc(OC)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 with a carboxyl.,CCC(c1ccc(OC)cc1)C(C(=O)[OH])(c1ccc(OC)cc1)c1ccc(OCC[NH+]2CCCC2)cc1
DelComponent,Remove a hydroxyl from the molecule CC(C)(C)OC(=O)Nc1cccc(OC(=O)Oc2ccc([N+](=O)[O-])cc2)c1OC(=O)CCCCCCO.,CCCCCCC(=O)Oc1c(NC(=O)OC(C)(C)C)cccc1OC(=O)Oc1ccc([N+](=O)[O-])cc1
LogP,Modify the molecule Nc1ccc(Cl)c(NC(=O)C2COCCO2)c1 to increase its LogP value.,O=C(Nc1ccccc1Cl)C1COCCO1
MR,Please modify the molecule CCn1ncc2c3c(NCc4ccc(OC)c(Cl)c4)nnc(NCCCn4ccnc4)c3cnc21 to increase its MR value.,COc1ccc(CNc2nnc(NCCCn3ccnc3)c3cnc4c(cnn4CCc4ccccc4)c23)cc1Cl
QED,Please modify the molecule CC(C)[NH+]1CCN(C2CCN(C(=O)Nc3cnn4ccccc34)C2)CC1 to decrease its QED value.,CC(C)[NH+]1CCN(C2(c3ccccc3)CCN(C(=O)Nc3cnn4ccccc34)C2)CC1
AtomNum,"Please generate a molecule with 24 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCc1ccc(C(CNC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)[NH+](C)C)cc1
BondNum,"There is a molecule composed of 11 single bonds, 3 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",CC(=O)N(C)CCCn1c(=N)n(CC(=O)c2ccccc2)c2cccc(Cl)c21
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 2 halo groups, 1 sulfide group, and 1 sulfone group.",O=C(c1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
AddComponent,Modify the molecule O=C([O-])CCCNC(=S)NCC(=O)[O-] by adding a hydroxyl.,O=C([O-])CCCNC(=S)NC(O)C(=O)[O-]
SubComponent,Please substitute a halo in the molecule COc1ccc(-n2nc(C(F)F)cc2-c2ccc(OCCO[Si](C)(C)C(C)(C)C)cc2)cc1 with a nitro.,COc1ccc(-n2nc(C(F)NO)cc2-c2ccc(OCCO[Si](C)(C)C(C)(C)C)cc2)cc1
DelComponent,Please remove a amine from the molecule Cc1sc2cccc([S-])c2c1N.,Cc1cc2c([S-])cccc2s1
LogP,Optimize the molecule Cc1ccc(C2(O)CCC(C)(C)c3ccc(C4(C)OCCO4)cc32)cc1 to have a lower LogP value.,Cc1ccc(C2(O)c3cc(C4(C)OCCO4)ccc3C(C)(C)CC2N)cc1
MR,Optimize the molecule Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(N)=O)ccc2Cl)CC1)C(C)C to have a higher MR value.,CC(=O)c1ccc(C(N)=O)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)C(C)C)CC1
QED,Please optimize the molecule COC(=O)C=C1CC(Cc2ccccc2)(CC2CCCCO2)CO1 to have a lower QED value.,COC(=O)C=C1CC(C)(CC2CCCCO2)CO1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC1(C)Cc2c(sc3nc4n(c(=O)c23)CCN4CCc2ccccc2)CO1
BondNum,"There is a molecule with 16 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)c1ccc(N2CCC(OC3CCCC3)CC2)nc1
FunctionalGroup,The molecule contains and 2 amide groups.,CCC1CCC(N2C(=O)NC(=O)C(C)(C)C2=O)C1C
AddComponent,Modify the molecule CC(=O)c1cccc(OCCCC(=O)NC(C)(CC(=O)[O-])C(C)C)c1 by adding a hydroxyl.,CC(=O)c1cccc(OCCC(O)C(=O)NC(C)(CC(=O)[O-])C(C)C)c1
SubComponent,Please substitute a C[NH2+]C(C)c1ccc(Br)cc1SCc1ccccc1Cl in the molecule halo with a nitro.,C[NH2+]C(C)c1ccc(NO)cc1SCc1ccccc1Cl
DelComponent,Remove a benzene ring from the molecule Cc1cc(C)cc(Oc2coc3c(C[NH+]4CCC(C)CC4)c(=O)ccc-3c2O)c1.,CCOc1coc2c(C[NH+]3CCC(C)CC3)c(=O)ccc-2c1O
LogP,Please modify the molecule Cc1oc(COc2ccc(Br)cc2Cl)cc1C[NH2+]C1CC1 to decrease its LogP value.,Cc1oc(COc2c(O)cc(Br)cc2Cl)cc1C[NH2+]C1CC1
MR,Modify the molecule CC(C(=O)NN)[NH+]1C2CCC1CC2 to increase its MR value.,CC(C(=O)NN)[NH+]1C2CCC1C(c1ccccc1)C2
QED,Modify the molecule CCc1ccc(C(=O)c2c(C)cc(C)cc2OC)o1 to decrease its QED value.,CCc1ccc(C(=O)c2c(OC)cc(C)c(-c3ccccc3)c2C)o1
AtomNum,"The molecule contains 11 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",NS(=O)(=O)c1cccc(CNC2CCS(=O)(=O)C2)c1
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C(C)NC(=O)CCC[NH3+])cc1Br
FunctionalGroup,The molecule contains and 3 amine groups.,CC1Oc2cc(N)ccc2NC1=[NH+]C1CCCCC1
AddComponent,Please add a benzene ring to the molecule CCCC=CCCCCCN=CCCC.,CCCC=NCCCCCC(=CCCC)c1ccccc1
SubComponent,Please substitute a CCCCCCC(C(C)C(=O)O)C1(C2(CCc3ccccc3)N[N+](=O)CC2=O)CC1 in the molecule carboxyl with a aldehyde.,CC(=O)C(C)C(CCCCCC)C1(C2(CCc3ccccc3)N[N+](=O)CC2=O)CC1
DelComponent,Modify the molecule hydroxyl by removing a CCCCCCCC=CC=CC(O)C(COP(=O)([O-])OCC[NH3+])NC(=O)CCCCCCCCCCCCCCCCCC.,CCCCCCCC=CC=CCC(COP(=O)([O-])OCC[NH3+])NC(=O)CCCCCCCCCCCCCCCCCC
LogP,Optimize the molecule Cc1nc(C(=O)NC(CO)C(C)C)cs1 to have a higher LogP value.,Cc1nc(C(=O)NC(CO)C(C)Cc2ccccc2)cs1
MR,Modify the molecule CCc1c(C(=O)[O-])nnn1Cc1cc(F)cc(Br)c1 to increase its MR value.,CCc1c(C(=O)[O-])nnn1Cc1cc(Br)cc(C(=O)[OH])c1
QED,Modify the molecule CC[NH+](C)CC(CCNC(=O)c1ccc2c(c1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1c(F)cccc1F to decrease its QED value.,CC(=O)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(C(=O)NCCC(Cc3c(F)cccc3F)C[NH+](C)CC)cc12
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 oxygen atom, and 6 fluorine atoms.",Fc1ccc(-c2ccc(OC(F)(F)F)cc2)c(C(F)F)c1
BondNum,"There is a molecule consisting of 32 single bonds, 4 double bonds, 14 rotatable bonds, and 17 aromatic bonds.",CC[NH+](CC)CCN1C(=O)N(c2ccccc2)C2(CCN(C(=O)C(Cc3ccc(OC)cc3)NC(=O)C([NH3+])Cc3cncn3C)CC2)C1=O
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 2 amide groups, and 1 halo group.",CC(=O)NCCOc1ccc(NC(=O)c2c[nH]c(=O)n(Cc3ccccc3Cl)c2=O)cc1
AddComponent,Please add a thiol to the molecule CCC[NH2+]C1CCCCC1Cc1nc(C(F)(F)F)no1.,CCC[NH2+]C1(S)CCCCC1Cc1nc(C(F)(F)F)no1
SubComponent,Please substitute a hydroxyl in the molecule CCCC1CCCC(O)(c2ccc(CC)cc2)CC1 with a aldehyde.,CC(=O)C1(c2ccc(CC)cc2)CCCC(CCC)CC1
DelComponent,Modify the molecule COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2cccc(C)c2C)CC1 by removing a amide.,COc12ccc(S(=O)(=O)N3CCOCC3)cC1CN(c1cccc(C)c1C)CC2
LogP,Please optimize the molecule CCNC(NCC1CCN(CC(F)(F)F)C1)=[NH+]Cc1ccc(F)c(C)c1 to have a lower LogP value.,CCNC(NCC1CCN(CC(F)(F)S)C1)=[NH+]Cc1ccc(F)c(C)c1
MR,Please optimize the molecule Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3c(C)nn(C4CCS(=O)(=O)C4)c3n2)cc1 to have a higher MR value.,Cc1ccc(-c2cc(C(=O)Nc3cc(O)ccc3Cl)c3c(C)nn(C4CCS(=O)(=O)C4)c3n2)cc1
QED,Modify the molecule CCOC(=O)C1([NH2+]Cc2cccc(C(=O)Nc3sc4c(c3C(=O)Nc3ccc(CCc5ccc(C(=O)OC)cc5)cc3)CCCC4)c2)CC1 to increase its QED value.,CCOC(=O)C1([NH2+]Cc2cccc(C(=O)Nc3(-c4ccc(CCc5ccc(C(=O)OC)cc5)cc4)sc4c-3CCCC4)c2)CC1
AtomNum,"The molecule has 20 carbon atoms, and 3 oxygen atoms.",CCCCCCC(C)(CCCCCCCCCCC(=O)[O-])OC
BondNum,"Please generate a molecule with 21 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C(CCNC(=O)N1CCc2ccccc2C1)N1CCC2CCC(C1)[NH2+]2
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, 1 amine group, 1 halo group, and 1 nitrile group.",N#Cc1cc(F)cc(N)c1N1CC[NH+](CC(N)=O)CC1
AddComponent,Please add a hydroxyl to the molecule Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C(C)SCC(=O)Nc1ccc(F)cc1.,Cc1nn(-c2cccc(O)c2)c(C)c1NC(=O)COC(=O)C(C)SCC(=O)Nc1ccc(F)cc1
SubComponent,Substitute a halo in the molecule CC1(OCC(=O)NCC(F)(F)C(F)F)C[NH2+]C1 with a nitro.,CC1(OCC(=O)NCC(F)(NO)C(F)F)C[NH2+]C1
DelComponent,Remove a Cc1ccccc1OCC(O)C[NH+]1C(C)(C)C=CCC1(C)C from the molecule benzene ring.,COCC(O)C[NH+]1C(C)(C)C=CCC1(C)C
LogP,Modify the molecule CC(C(=O)Nc1ccc(Cl)c(C(=O)N2CCOCC2)c1)[NH+]1CCC(C(=O)Nc2ccc(Cl)c(C(=O)N3CCCCC3)c2)CC1 to have a lower LogP value.,CC(C(=O)Nc1ccc(Cl)c(C(=O)N2CCOCC2)c1)[NH+]1CCC(C(=O)Nc2ccc(Cl)c(C(=O)N3CCC(O)CC3)c2)CC1
MR,Please modify the molecule [NH3+]Cc1cccc2cccc(Br)c12 to decrease its MR value.,[NH3+]Cc1cccc2cccc(NO)c12
QED,Modify the molecule CN(CO)c1nc(NCO)nc(N(C)CO)n1 to have a higher QED value.,CN(CO)c1nc(NCO)nc(N(C)CF)n1
AtomNum,"The molecule contains 11 carbon atoms, and 8 nitrogen atoms.",Nc1nc(Cc2ccccn2)nc(-n2cncn2)n1
BondNum,"Please generate a molecule consisting 7 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",CNC(=O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1Cl
FunctionalGroup,Please generate a molecule with and 1 nitrile group.,COCCOCCOCCC#N
AddComponent,Add a hydroxyl to the molecule C=CC1CC(N2C(=C3CCC3)CC(CC)C3=C2C(C=CCCC)=C(C)CCC(C)=C3)CC(C)CC1Cc1ccccc1.,C=CC1CC(N2C(=C3CCC3)CC(CC)C3=C2C(C=CCCC)=C(C)CCC(C)=C3)CC(C)CC1Cc1ccccc1O
SubComponent,Modify the molecule halo by substituting a COC(=O)c1ccc(CNOCC(F)(F)F)nc1 with a aldehyde.,CC(=O)C(F)(F)CONCc1ccc(C(=O)OC)cn1
DelComponent,Remove a amine from the molecule CC(C)(C)[Si](OCC(O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NOCc1ccccc1)(c1ccccc1)c1ccccc1.,CC(C)(C)[Si](OCC(O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccccc1)(c1ccccc1)c1ccccc1
LogP,Optimize the molecule CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccccc2)cc1Cl to have a lower LogP value.,CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccccc2)cc1C#N
MR,Modify the molecule CCC(CC(=O)[O-])Nc1ccc(C(N)=O)cc1Br to decrease its MR value.,CCC(CC(=O)[O-])c1ccc(C(N)=O)cc1Br
QED,Modify the molecule N#Cc1ccnc(Oc2ccc(Br)cc2[N+](=O)[O-])c1 to increase its QED value.,N#Cc1ccnc(Oc2ccc(Br)cc2[SH]=O)c1
AtomNum,"There is a molecule composed of 13 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",N#Cc1cc(Br)ccc1NC(=O)c1cnc(N)c(Cl)c1
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",CCS(=O)(=O)Nc1ccc(OC2COC2)c(-c2cn(C)c3c(OC)nccc23)c1
FunctionalGroup,Please generate a molecule consisting and 1 sulfide group.,CC(C)c1csc(C2([NH2+]C3CC3)CCC(C)(C)CC2C)n1
AddComponent,Please add a benzene ring to the molecule O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1F.,O=Cc1ccc(-c2cc(-c3ccccc3)cc([N+](=O)[O-])c2)cc1F
SubComponent,Substitute a Cn1c(=O)c2c(nc(NCCO)n2CC(N)=O)n(C)c1=O in the molecule hydroxyl with a thiol.,Cn1c(=O)c2c(nc(NCCS)n2CC(N)=O)n(C)c1=O
DelComponent,Remove a halo from the molecule CC(C)([NH2+]Cc1ccc(Cl)c(F)c1)C(N)(I)c1ccnc2cc(Cl)ccc12.,CC(C)([NH2+]Cc1ccc(Cl)c(F)c1)C(N)(I)c1ccnc2ccccc12
LogP,Optimize the molecule CC1(C)NC(=O)N(CC(=O)NC2CCCC2Cc2ccc(F)cc2)C1=O to have a lower LogP value.,CC1(C)NC(=O)N(CC(=O)NC2C(N)CCC2Cc2ccc(F)cc2)C1=O
MR,Modify the molecule CCC1CCCCN1C(=O)COC(=O)COc1ccc(OC)cc1 to increase its MR value.,CCC1CCCCN1C(=O)C(OC(=O)COc1ccc(OC)cc1)C(=O)O
QED,Please optimize the molecule C=CCNC(=S)NNC(=O)c1sc(-c2ccc(Br)cc2)nc1C to have a lower QED value.,C=CCNC(=S)NNC(=O)c1sc(-c2ccc(NO)cc2)nc1C
AtomNum,"Please generate a molecule consisting 10 carbon atoms, and 3 oxygen atoms.",CCCOC(CCCO)OCCC
BondNum,"Please generate a molecule consisting 16 single bonds, 4 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",COC(=O)C(=Cc1sc(C)nc1C)NC(=O)c1c(C)cc(C(=O)NCc2cccc(O)c2)cc1C
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 2 halo groups.",CNC(=O)c1nc(C)nc(Cl)c1Cl
AddComponent,Modify the molecule CCOC(=O)C=CCCCCC1OC2(CCCCCCCCCCCCCCCOCC([NH3+])CO)CCC(O)C1O2 by adding a benzene ring.,CCOC(=O)C=CCCCCC1OC2(CCCCCCCCCCCCCC(COCC([NH3+])CO)c3ccccc3)CCC(O)C1O2
SubComponent,Substitute a C[NH2+]CC(c1nc2ccc(Br)cn2n1)C(C)C in the molecule halo with a thiol.,C[NH2+]CC(c1nc2ccc(S)cn2n1)C(C)C
DelComponent,Please remove a halo from the molecule CCc1ccccc1Nc1nc(N)nc(COC(=O)COc2cccc(F)c2)n1.,CCc1ccccc1Nc1nc(N)nc(COC(=O)COc2ccccc2)n1
LogP,Please modify the molecule C#CC(O)CC(NC(=O)OC(C)(C)C)C(C)C to decrease its LogP value.,C#CC(O)CC(C#N)(NC(=O)OC(C)(C)C)C(C)C
MR,Modify the molecule CCOCCCCNC(NCC(=O)Nc1cccnc1)=[NH+]C to have a higher MR value.,CCOCCCCNC(NCC(=O)Nc1cccnc1O)=[NH+]C
QED,Optimize the molecule Cc1nc(SCC(CBr)C(C)(C)C)nc(C)c1C to have a higher QED value.,Cc1nc(SCC(C)C(C)(C)C)nc(C)c1C
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 fluorine atom, and 1 bromine atom.",O=C1CC(c2ccccc2)C(=O)N1c1ccc(F)c(Br)c1
BondNum,"Please generate a molecule with 7 single bonds, 1 rotatable bond, and 11 aromatic bonds.",c1cc2cc(N3CCOCC3)ccc2cn1
FunctionalGroup,"Please generate a molecule consisting 1 ester group, and 1 nitrile group.",CCOC(=O)c1cnc(N(CCC#N)CC(C)C)nc1C
AddComponent,Add a benzene ring to the molecule CCC(CCCCCC(=O)CSC1CCC1SCC(C)=O)C(C)=O.,CCC(CCCCCC(=O)CSC1C(SCC(C)=O)CC1c1ccccc1)C(C)=O
SubComponent,Modify the molecule hydroxyl by substituting a O=C(CNC(=O)c1cc(O)c(O)c(O)c1)NC(COC1OC(CO)C(O)C(O)C1O)(COC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O with a nitrile.,N#Cc1cc(C(=O)NCC(=O)NC(COC2OC(CO)C(O)C(O)C2O)(COC2OC(CO)C(O)C(O)C2O)COC2OC(CO)C(O)C(O)C2O)cc(O)c1O
DelComponent,Remove a benzene ring from the molecule COc1ccc(CNC(=O)CC(C)=NNC(=O)Cc2csc(N)n2)cc1.,COCNC(=O)CC(C)=NNC(=O)Cc1csc(N)n1
LogP,Modify the molecule C=C(CN1CCOC(CC)C1)[B-](F)(F)F to have a lower LogP value.,C=C(CN1CCOC(CC)C1)[B-](F)(F)C(=O)[OH]
MR,Please modify the molecule COC(=O)C1(COCc2ccccc2)C=CC=C1 to decrease its MR value.,COCC1(C(=O)OC)C=CC=C1
QED,Modify the molecule CC12CCC(C1)C(C)(C)C2[NH2+]Cc1cccc(Cl)c1 to have a lower QED value.,CC12CCC(C1)C(C)(C)C2[NH2+]CCl
AtomNum,"The molecule consists of 38 carbon atoms, 6 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCCC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(C(N)=O)c4)c3)c3ccccc23)c(OC)c(S(C)=O)c1
BondNum,"There is a molecule with 6 single bonds, 4 rotatable bonds, and 17 aromatic bonds.",Cn1cnnc1-c1ccnc(NCc2ccc(Cl)cc2)c1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, and 1 sulfone group.",CCOc1cc(NS(=O)(=O)c2cnc[nH]2)ccc1OC
AddComponent,Modify the molecule CCCC1[NH2+]C(C)N(CCS(C)(=O)=O)C1=O by adding a hydroxyl.,CCC(O)C1[NH2+]C(C)N(CCS(C)(=O)=O)C1=O
SubComponent,Please substitute a Cn1nc2cc(N)ccc2c1Cl in the molecule halo with a hydroxyl.,Cn1nc2cc(N)ccc2c1O
DelComponent,Please remove a amide from the molecule CCOc1c(C(C)=CC(=O)NCc2ccc3c(c2)OCO3)cc2c3c(oc2c1C)CCCC3.,CCOc1c(C(C)Cc2ccc3c(c2)OCO3)cc2c3c(oc2c1C)CCCC3
LogP,Optimize the molecule COC1CNc2cc(Cl)cnc2NC1 to have a lower LogP value.,COC1CNc2ncc(Cl)cc2NC1N
MR,Modify the molecule CCOC(=O)CCNC(=O)COc1cc(-c2cc(F)c(F)c(F)c2)ccc1CCNS(=O)(=O)c1cc(C#N)ccc1OC to have a lower MR value.,CCOC(=O)CCOc1cc(-c2cc(F)c(F)c(F)c2)ccc1CCNS(=O)(=O)c1cc(C#N)ccc1OC
QED,Please optimize the molecule CCCCOc1ccc(C2C(C(=O)[O-])C(c3ccc4c(c3)OCCO4)C[NH+]2CC(=O)Nc2c(CC)cc(Cl)cc2CC)cc1 to have a lower QED value.,CCCCOc1ccc(C2C(C(=O)[O-])C(c3ccc4c(c3)OCCO4)C[NH+]2CC(=O)Nc2c(CC)cc(Cl)cc2CCc2ccccc2)cc1
AtomNum,"Please generate a molecule consisting 84 carbon atoms, 5 nitrogen atoms, and 2 silicon atoms.",[C-]#[N+]c1ccc(-n2c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc4n5-c4ccc(C#N)cc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1
BondNum,"The molecule contains 16 single bonds, 2 double bonds, 1 rotatable bond, and 12 aromatic bonds.",Cc1ccc2c(c1)C1C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)C1CN2C
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 1 halo group.",CCOc1ccc(C([NH3+])C(C)(C)c2ccccc2)cc1Br
AddComponent,Add a hydroxyl to the molecule CCc1ccc2c(COC(=O)c3ccc4c(c3)nnn4CC)cc(=O)oc2c1.,CCc1ccc2c(COC(=O)c3ccc4c(nnn4CC)c3O)cc(=O)oc2c1
SubComponent,Substitute a halo in the molecule CC(C)(C)c1[nH+]c(-c2ccnc(Cl)c2)cn1CC1CCOCC1 with a aldehyde.,CC(=O)c1cc(-c2cn(CC3CCOCC3)c(C(C)(C)C)[nH+]2)ccn1
DelComponent,Please remove a amide from the molecule CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CCN(C)c3ccccc3)c2)CC1.,CC[NH+]1CCN(S(=O)(=O)c2cccc(CN(C)c3ccccc3)c2)CC1
LogP,Optimize the molecule O=C(Nc1ccccc1)c1cccc(-n2cccc2)c1 to have a lower LogP value.,NC(=O)c1cccc(-n2cccc2)c1
MR,Please optimize the molecule CCc1ncc(C[NH2+]CC(C)c2ccccc2)s1 to have a lower MR value.,CCC[NH2+]Cc1cnc(CC)s1
QED,Modify the molecule CCCCC[SiH]1CCC(C2CCC(c3cc(F)c(OCC(F)F)c(F)c3)CC2)CC1 to have a higher QED value.,CCCCC[SiH]1CCC(C2CCC(c3cc(F)c(OCC(F)F)c(NO)c3)CC2)CC1
AtomNum,"There is a molecule with 23 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(CN(C(=O)c2ccc(-n3cccc3)cc2)C2CCS(=O)(=O)C2)cc1
BondNum,"There is a molecule consisting of 21 single bonds, 1 double bond, 6 rotatable bonds, and 5 aromatic bonds.",Cc1nn(CCO)c(C)c1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 1 nitro group, and 1 sulfone group.",COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NN=Cc1ccccc1[N+](=O)[O-]
AddComponent,Modify the molecule COc1cc(Br)cc(OC)c1C[NH3+] by adding a carboxyl.,COc1cc(Br)cc(OCC(=O)O)c1C[NH3+]
SubComponent,Please substitute a halo in the molecule O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(N4CC[NH2+]CC4)c(C(F)(F)F)c3)nc2n1C1Cc2ccccc2S(=O)(=O)N1 with a aldehyde.,CC(=O)C(F)(F)c1cc(Nc2ncc3cc(Nc4cccnc4)c(=O)n(C4Cc5ccccc5S(=O)(=O)N4)c3n2)ccc1N1CC[NH2+]CC1
DelComponent,Remove a benzene ring from the molecule CCCNS(=O)(=O)c1ccc(OCC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1.,CCCNS(=O)(=O)c1ccc(OCC(=O)NCCSc2nc[nH]n2)cc1
LogP,Modify the molecule CC(C)C([NH2+]CCN)C(=O)[O-] to have a higher LogP value.,CC[NH2+]C(C(=O)[O-])C(C)C
MR,Modify the molecule FC(F)(F)COCCC[NH2+]CCCn1ccnn1 to have a higher MR value.,O=C([OH])C(F)(F)COCCC[NH2+]CCCn1ccnn1
QED,Optimize the molecule CC(C)(C)c1cc(C(=O)Nc2cccc(Cl)n2)cc(Cl)n1 to have a higher QED value.,CC(C)(C)c1cc(C(=O)Nc2cccc(Cl)n2)ccn1
AtomNum,"There is a molecule with 31 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 2 chlorine atoms.",Cc1cc(C)cc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)C2c2cccc(OCc3ccccc3)c2)c1
BondNum,"The molecule is composed of 8 single bonds, 2 double bonds, 1 rotatable bond, and 6 aromatic bonds.",CC1C=Cc2nccc(P(=O)([O-])[O-])c2C1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",COc1cc(C(=O)N2CCOCC2)ccc1C(C)(C)C
AddComponent,Modify the molecule Cc1cc(NC(c2ccc(Cl)cc2)c2nccn2C)c2ccccc2[nH+]1 by adding a carboxyl.,Cc1cc(NC(C(=O)O)(c2ccc(Cl)cc2)c2nccn2C)c2ccccc2[nH+]1
SubComponent,Please substitute a halo in the molecule Nc1ccc(N2CC3(CC3)C2)c(Br)c1 with a hydroxyl.,Nc1ccc(N2CC3(CC3)C2)c(O)c1
DelComponent,Please remove a CC[NH2+]C(CCc1ccc(OC(F)(F)F)cc1)CC(C)C from the molecule benzene ring.,CC[NH2+]C(CCOC(F)(F)F)CC(C)C
LogP,Optimize the molecule CCOc1cc2c(cc1OCC)C(c1ccc(Br)cc1)N(c1ccc(C(=O)OC)cc1)C(=O)C2 to have a lower LogP value.,CCOc1cc2c(cc1OCC)C(c1ccc(O)cc1)N(c1ccc(C(=O)OC)cc1)C(=O)C2
MR,Please optimize the molecule CN(C)C(=O)c1ccc(NC(=O)C(F)(F)Cl)cc1Cl to have a lower MR value.,Cc1(Cl)cc(NC(=O)C(F)(F)Cl)ccC1
QED,Please modify the molecule CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C=Cc3ccc[n+](C)c3)CSC12)c1cscn1 to increase its QED value.,CON=C(C(=O)NC1C(=O)N2C=C(C=Cc3ccc[n+](C)c3)CSC12)c1cscn1
AtomNum,"The molecule contains 37 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",COc1ccc(N(C(=O)CN2C(=O)C(C)(Cc3nn(C)c4ccccc34)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1
BondNum,"The molecule contains 10 single bonds, 2 double bonds, 4 rotatable bonds, and 15 aromatic bonds.",CCc1cccc2c(-c3csc(CN4C(=O)CCC4=O)n3)c[nH]c12
FunctionalGroup,"The molecule contains 1 thioether group, and 1 sulfide group.",CCCn1c(SCC([NH2+]CC)C2CC2)n[nH]c1=O
AddComponent,Add a nitrile to the molecule CCCSc1ccc(CC)c(N(CON=C2CCC2)C(=O)C(Cl)CC)c1.,CCCSc1ccc(CCC#N)c(N(CON=C2CCC2)C(=O)C(Cl)CC)c1
SubComponent,Please substitute a halo in the molecule CCCNC(=O)c1ccccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(OC)c(NC(=O)c3ccc(F)cc3)c2)CC1 with a thiol.,CCCNC(=O)c1ccccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(OC)c(NC(=O)c3ccc(S)cc3)c2)CC1
DelComponent,Modify the molecule CCCNc1cc(COC)nc(N2CCCCCC2)n1 by removing a amine.,CCCc1cc(COC)nc(N2CCCCCC2)n1
LogP,Modify the molecule C[NH2+]C(c1ccc(C)c(F)c1)C1(OC)CCOCC1 to increase its LogP value.,C[NH2+]C(c1ccc(C)c(S)c1)C1(OC)CCOCC1
MR,Please optimize the molecule CN(C(=O)C(C)(C)C)c1ccc(S(=O)(=O)Cl)cc1 to have a lower MR value.,CN(C(=O)C(C)(C)C)S(=O)(=O)Cl
QED,Modify the molecule [CH]C(=O)OCC(COC(=O)COc1ccc(I)cc1)OP(=O)([O-])OCC[N+](C)(C)C to increase its QED value.,[CH]C(=O)OCC(COC(=O)COc1ccc(S)cc1)OP(=O)([O-])OCC[N+](C)(C)C
AtomNum,"There is a molecule consisting of 12 carbon atoms, and 3 nitrogen atoms.",CC(C)CC[NH2+]Cc1ccn(C(C)C)n1
BondNum,"The molecule consists of 22 single bonds, 4 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",C=CC(=O)N1CCC(Nc2cnc3c(n2)C(C(=O)NC(C)(C)C)=CCCC3)CC1C
FunctionalGroup,"The molecule has 3 benzene ring groups, and 2 amide groups.",CC(C)C(NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccccc1
AddComponent,Add a hydroxyl to the molecule COC(=O)C([NH3+])CCSCC(=O)NC1(C)CCS(=O)(=O)C1.,COC(=O)C([NH3+])CCSCC(=O)NC1(CO)CCS(=O)(=O)C1
SubComponent,Substitute a hydroxyl in the molecule O=C([O-])C(=O)c1cn(CC(O)CO)c2c(Cl)cccc12 with a nitro.,ONC(CO)Cn1cc(C(=O)C(=O)[O-])c2cccc(Cl)c21
DelComponent,Please remove a benzene ring from the molecule C[NH2+]Cc1ccc(N2CC(C)OC(C)C2)c(Cl)c1.,C[NH2+]C(Cl)N1CC(C)OC(C)C1
LogP,Please modify the molecule CCNC(NCc1ncc(C)s1)=[NH+]Cc1cccc(C[NH+]2CCOCC2)c1 to decrease its LogP value.,CCNC(NCc1ncc(C)s1)=[NH+]CC[NH+]1CCOCC1
MR,Please modify the molecule [NH3+]CC(CCSC(F)(F)F)Cc1ccc(Br)cc1 to increase its MR value.,CC(=O)C(F)(F)SCCC(C[NH3+])Cc1ccc(Br)cc1
QED,Modify the molecule Cc1ccc(N(C)CC(O)COCc2ccccc2F)c(C)c1 to decrease its QED value.,Cc1ccc(N(C)CC(COCc2ccccc2F)C(=O)[OH])c(C)c1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",Clc1cc2c(s1)CCCC2[NH2+]CCC1=CCCC1
BondNum,"The molecule has 8 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 10 aromatic bonds.",CCCc1c(-c2ccc([N+](=O)[O-])s2)sc(C#N)c1N
FunctionalGroup,"There is a molecule consisting of 2 thioether groups, and 2 sulfide groups.",C[NH2+]Cc1sc(N2CCCSCC2)nc1C(C)(C)C
AddComponent,Add a amine to the molecule C[Si](C)(C)C(P=Cc1ccccc1)[Si](C)(C)C.,C[Si](C)(C)C(P=Cc1ccccc1N)[Si](C)(C)C
SubComponent,Substitute a halo in the molecule CC1(CO)CCN(c2cc[nH+]c(Cl)c2)C1 with a thiol.,CC1(CO)CCN(c2cc[nH+]c(S)c2)C1
DelComponent,Modify the molecule COc1ccc(Cn2nnnc2C(c2ccccc2F)[NH+]2CCN(c3ccccc3F)CC2)cc1 by removing a halo.,COc1ccc(Cn2nnnc2C(c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)cc1
LogP,Please optimize the molecule CC[NH+]1CCOC(CNC(=O)N2CCC(CC(=O)[O-])C2)C1 to have a lower LogP value.,CC[NH+]1CCOC(CNC(=O)N2CC(O)C(CC(=O)[O-])C2)C1
MR,Modify the molecule N#Cc1ccnc(N2CC[NH+](CCCC(=O)NC(N)=O)CC2)c1 to have a higher MR value.,N#Cc1cc(C#N)nc(N2CC[NH+](CCCC(=O)NC(N)=O)CC2)c1
QED,Modify the molecule CCCC(C[NH2+]CC(C)C)OCCCc1ccncc1 to have a lower QED value.,CCCC(C[NH2+]CC(C)Cc1ccccc1)OCCCc1ccncc1
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",CC(C)c1nc(-c2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nc2)no1
BondNum,"Please generate a molecule composed of 26 single bonds, 1 double bond, 7 rotatable bonds, and 26 aromatic bonds.",CC(=O)C(OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)c(N3CCN(C(C)C(F)(F)F)CC3)nn4C)sc2c1-c1ccc(Cl)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 sulfone groups.",CCCCNC(=O)NS(=O)(=O)Cc1ccccc1S(C)(=O)=O
AddComponent,Please add a benzene ring to the molecule O=C(CSc1n[nH]c(-c2cccs2)n1)Nc1ccccc1N1CCCC1.,O=C(CSc1n[nH]c(-c2cccs2)n1)Nc1ccccc1N1CCCC1c1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1cc(C(=O)C(C)Cl)c(C)n1CCCn1ccnc1 with a nitrile.,Cc1cc(C(=O)C(C)C#N)c(C)n1CCCn1ccnc1
DelComponent,Remove a hydroxyl from the molecule COc1c2nc(cc3cc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c([nH]3)c(-c3cccc(N=C(O)CCC(=O)ON4C(=O)CCC4=O)c3)c3nc(cc4cc(-c5cc(C(=O)[O-])cc(C(=O)[O-])c5)c1[nH]4)C(C)(C)C3)C(C)(C)C2.,COc1c2nc(cc3cc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c([nH]3)c(-c3cccc(N=CCCC(=O)ON4C(=O)CCC4=O)c3)c3nc(cc4cc(-c5cc(C(=O)[O-])cc(C(=O)[O-])c5)c1[nH]4)C(C)(C)C3)C(C)(C)C2
LogP,Optimize the molecule O=C(NC1CC2CCC1C2)c1cc([N+](=O)[O-])ccc1Cl to have a lower LogP value.,O=[N+]([O-])c1c-c(Cl)(C2CC3CCC2C3)cc1
MR,Please optimize the molecule CCC[NH2+]C1C(=O)Nc2cc(-n3ccnc3C#N)ccc21 to have a lower MR value.,CCC[NH2+]C1C(=O)Nc2cc(-n3ccnc3)ccc21
QED,Please modify the molecule O=C(NC1CCCC1CO)c1cnc2ccccn2c1=O to increase its QED value.,CC1CCCC1NC(=O)c1cnc2ccccn2c1=O
AtomNum,"The molecule consists of 22 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cc1cc(-c2ncc(CNC(=O)n3cc(-c4ccccn4)cn3)cc2C)ccn1
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccc(CC(=O)CC2CCOC2)cc1Br
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfide group.",CCc1cc(C(=O)NCc2ccc(F)cc2)nc2cc(-c3ccsc3)nn12
AddComponent,Add a hydroxyl to the molecule CC(N)CS(=O)CCOCc1ccccc1.,CC(N)C(O)S(=O)CCOCc1ccccc1
SubComponent,Substitute a halo in the molecule C[NH2+]C(c1cccc(OC(F)(F)F)c1)C1(OC)CCC1 with a carboxyl.,C[NH2+]C(c1cccc(OC(F)(F)C(=O)[OH])c1)C1(OC)CCC1
DelComponent,Modify the molecule COc1ccc(Cl)c(N2Cc3ccc(N)cc3C2)c1 by removing a halo.,COc1cccc(N2Cc3ccc(N)cc3C2)c1
LogP,Modify the molecule C[NH2+]C(Cc1cc(Br)ccc1F)c1ccccc1Cl to have a lower LogP value.,CC(=O)c1ccc(F)c(CC([NH2+]C)c2ccccc2Cl)c1
MR,Optimize the molecule Cc1sc(C(Cl)c2ccc(Cl)cc2Cl)cc1Br to have a lower MR value.,Cc1sc(C(C#N)c2ccc(Cl)cc2Cl)cc1Br
QED,Please modify the molecule O=C(CC[NH+]1CCC(NC(=O)c2ccccc2)CC1)Nc1cccc(Cl)c1 to decrease its QED value.,Nc1ccc(NC(=O)CC[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1Cl
AtomNum,"Please generate a molecule with 16 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",CC(C)c1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)cc1Cl
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",COCC[NH2+]Cc1ccc(-n2cc(C(N)=O)cn2)c(F)c1
FunctionalGroup,"Please generate a molecule with 1 amine group, 1 halo group, and 1 sulfone group.",CCCCN(CCCC)S(=O)(=O)NCCc1cc(Cl)c2c(c1)OCCO2
AddComponent,Modify the molecule Cc1c(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cccc1[N+](=O)[O-] by adding a carboxyl.,Cc1c(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3C(=O)O)cc2)cccc1[N+](=O)[O-]
SubComponent,Modify the molecule halo by substituting a C[NH2+]Cc1sc(CSc2ccccc2Br)nc1C1CC1 with a carboxyl.,C[NH2+]Cc1sc(CSc2ccccc2C(=O)[OH])nc1C1CC1
DelComponent,Please remove a CCCCC(=O)OCC(=O)C1(OC(=O)CCCC)CCC2C3=C(C(O)CC21C)C1(C)C=CC(=O)C=C1CC3 from the molecule hydroxyl.,CCCCC(=O)OCC(=O)C1(OC(=O)CCCC)CCC2C3=C(CCC21C)C1(C)C=CC(=O)C=C1CC3
LogP,Modify the molecule CCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2Oc2ccccc2)c1 to have a lower LogP value.,CCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2O)c1
MR,Please modify the molecule Cc1nc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1 to decrease its MR value.,Cc1nc(-n2oc(-c3ccccc3)c-2)n[nH]1
QED,Please modify the molecule O=c1c(Cl)c(N2CCC(O)C2)cnn1-c1cccc(C(F)(F)F)c1 to increase its QED value.,O=c1cc(N2CCC(O)C2)cnn1-c1cccc(C(F)(F)F)c1
AtomNum,"The molecule is composed of 13 carbon atoms, 4 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",Cc1csc(Cc2nc3c(c(C(F)(F)F)n2)CC[NH2+]C3)n1
BondNum,"The molecule contains 18 single bonds, 3 double bonds, 1 triple bond, 7 rotatable bonds, and 10 aromatic bonds.",CC(CO)NC(=O)OCC1CCc2c(sc(NC(=O)C=Cc3ccco3)c2C#N)C1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ester group, 1 amine group, 2 halo groups, and 1 sulfone group.",Cc1c(CC(=O)Oc2c(Cl)cc(S(=O)(=O)[O-])cc2Cl)c(=O)oc2cc(N)ccc12
AddComponent,Please add a benzene ring to the molecule CC(=O)NC1CC[NH+](CC2(O)CC[NH+](Cc3ccc(OCC[NH+](C)C)cc3)C2)CC1.,CC(=O)NC1CC[NH+](CC2(O)CC[NH+](C(c3ccccc3)c3ccc(OCC[NH+](C)C)cc3)C2)CC1
SubComponent,Substitute a halo in the molecule Cc1c(C(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)c(-c2ccccc2)nn1-c1ccccc1 with a thiol.,Cc1c(C(=O)Nc2ccn(Cc3c(S)cccc3Cl)n2)c(-c2ccccc2)nn1-c1ccccc1
DelComponent,Please remove a C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccc(OCC)cc1 from the molecule amide.,C=CCn1c(Sc2cc(OC)ccc2OC)nnc1-c1ccc(OCC)cc1
LogP,Please optimize the molecule CCC(C)N(CC)c1cc(OC)ccc1C#N to have a higher LogP value.,CCC(C)N(CC)c1cc(OC)ccc1F
MR,Modify the molecule COc1ccc(-c2cc(C3C[NH+]4CCC3CC4COCc3ccccc3)n(C)n2)cc1 to have a lower MR value.,COCC1CC2CC[NH+]1CC2c1cc(-c2ccc(OC)cc2)nn1C
QED,Please optimize the molecule CNC(=O)c1ccc(C)c(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)Nc4cccc(F)c4)cc3C)CC2)c1 to have a lower QED value.,Cc1ccc(C(=O)NCN)cc1NC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(C(=O)Nc3cccc(F)c3)cc2C)CC1
AtomNum,"The molecule consists of 16 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",O=C([O-])c1c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)sc2c1CC[NH2+]C2
BondNum,"There is a molecule composed of 18 single bonds, 4 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C2=O)cc1C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, 2 halo groups, and 1 sulfone group.",CC(C)CCC(C)NS(=O)(=O)c1ccc(F)c(C[NH3+])c1F
AddComponent,Add a benzene ring to the molecule CN(C(=O)CSc1n[nH]c(-c2ccc(Br)cc2)n1)C1CCCCC1.,CN(C(=O)CSc1n[nH]c(-c2ccc(Br)cc2-c2ccccc2)n1)C1CCCCC1
SubComponent,Substitute a Nc1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 in the molecule halo with a thiol.,Nc1cccc(S(=O)(=O)N2CCN(c3cccc(S)c3)CC2)c1
DelComponent,Modify the molecule amine by removing a CCN(CC)C(=O)c1sc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C(=O)OC)c1C.,CCN(CC)C(=O)c1sc(C(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C(=O)OC)c1C
LogP,Please modify the molecule CCc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)C(CC)C(=O)NC)S(C)(=O)=O)cc1 to decrease its LogP value.,CCc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)C(CCC(=O)O)C(=O)NC)S(C)(=O)=O)cc1
MR,Please modify the molecule Nc1nc(-c2ccncc2)ncc1C(=O)NCC1CCCO1 to decrease its MR value.,O=C(NCC1CCCO1)c1cnc(-c2ccncc2)nc1
QED,Please optimize the molecule O=C([O-])Cc1nc2c(F)cccn2c1C[NH+]1CCCCC1 to have a lower QED value.,O=C([O-])Cc1nc2ccccn2c1C[NH+]1CCCCC1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, and 1 nitrogen atom.",Cc1cccc2c1C(c1cccc3c1CCCC3)[NH2+]CC2
BondNum,"There is a molecule consisting of 7 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",COc1ccc2cccc(C3([NH3+])CC3)c2c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 halo group, 1 thioether group, and 1 sulfide group.",COc1ccc2c(c1)CN(C(=O)CC[NH+]1CCC(O)(c3ccc(Cl)cc3)CC1)CCS2
AddComponent,Please add a benzene ring to the molecule CC(O)c1cc2ccc3cc([N+](=O)[O-])cc4ccc(c1)c2c34.,CC(O)(c1ccccc1)c1cc2ccc3cc([N+](=O)[O-])cc4ccc(c1)c2c34
SubComponent,Substitute a COCC[NH+](CCNc1ccc(Cl)cc1)C(C)C1CC1 in the molecule halo with a nitro.,COCC[NH+](CCNc1ccc(NO)cc1)C(C)C1CC1
DelComponent,Modify the molecule benzene ring by removing a CCOC(=O)C(Cc1ccc(-c2c(OC)cccc2OC)cc1)NC(=O)C1(C)CC(c2ccccc2)=NO1.,CCOC(=O)C(Cc1c(OC)cccc1OC)NC(=O)C1(C)CC(c2ccccc2)=NO1
LogP,Modify the molecule COC1(c2ccc(C3CC3)c(Cc3ccc4c(c3)OCCO4)c2)OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1 to have a higher LogP value.,COC1(c2ccc(C3CC3)c(Cc3ccc4c(c3)OCCO4)c2)OC(CC#N)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
MR,Please modify the molecule CCOC(C)OC(C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O[Si](CC)(CC)CC)C3(C)C(O)C(OC(C)=O)C(=C1C)C2(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C to increase its MR value.,CCOC(C)OC(C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3(O)C4(OC(C)=O)COC4CC(O[Si](CC)(CC)CC)C3(C)C(O)C(OC(C)=O)C(=C1C)C2(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C
QED,Modify the molecule Nc1ccc(OCCC(=O)Nc2cc(F)ccc2F)cc1 to decrease its QED value.,Nc1ccc(OCCC(=O)Nc2cccc(F)c2)cc1
AtomNum,"The molecule is composed of 24 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C(Nc1ccc(-c2ccc(C(=O)C3CCCC3C(=O)[O-])cc2)cc1)Nc1cccs1
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(C(=O)NN=C(c2ccc(F)cc2)c2ccc(N3CCOCC3)cc2)cc1
FunctionalGroup,"There is a molecule with 1 amide group, 1 amine group, and 1 nitrile group.",N#Cc1ccc2nc(Nc3cc(C(N)=O)ccn3)ccc2c1
AddComponent,Please add a benzene ring to the molecule CCOC(=O)c1ccc(OCc2ccc(C(=O)OC)cc2)c(CCc2ccccc2)c1.,CCOC(=O)c1ccc(OCc2ccc(C(=O)OC)cc2)c(CCc2ccccc2-c2ccccc2)c1
SubComponent,Substitute a halo in the molecule C[NH2+]C(c1ccc(Br)cn1)c1cnccc1C(F)(F)F with a carboxyl.,C[NH2+]C(c1ccc(C(=O)[OH])cn1)c1cnccc1C(F)(F)F
DelComponent,Modify the molecule benzene ring by removing a CS(=O)(=O)c1ccc(C(=N)COc2ccc(COc3ccc(CCC(=O)[O-])cc3)cc2)cc1.,CS(=O)(=O)c1ccc(C(=N)COCOc2ccc(CCC(=O)[O-])cc2)cc1
LogP,Modify the molecule COCCOCCOCC[NH2+]CCCO to increase its LogP value.,COCCOCCOCC[NH2+]CCCC(=O)[OH]
MR,Please optimize the molecule Cc1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1CO to have a lower MR value.,Cc1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C
QED,Please modify the molecule COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)NC(CC1CCCCC1)C(=O)NC(C(=O)NCC1CC(O)C(N2C=CC(O)NC2=O)O1)C(C)N(C)C(=O)C[NH3+] to decrease its QED value.,COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)NC(CC1CCCCC1)C(=O)NC(C(=O)NCC1CC(NO)C(N2C=CC(O)NC2=O)O1)C(C)N(C)C(=O)C[NH3+]
AtomNum,"There is a molecule with 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1cc(C(=O)[O-])c(C)n1-c1cccc2cccnc12
BondNum,"The molecule is composed of 14 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",O=C(CSc1nnc(NC(=O)c2ccc(Cl)cc2)s1)NCc1ccc2c(c1)OCO2
FunctionalGroup,The molecule is composed of and 3 amide groups.,O=C(CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCC[NH2+]1)NC(Cc1cnc[nH]1)C(=O)[O-]
AddComponent,Please add a benzene ring to the molecule Cc1ccc(NC(=O)c2cc(Cl)ccc2NCC2CC[NH+](C(C)C3CC3)CC2)nc1.,Cc1ccc(NC(=O)c2c(NCC3CC[NH+](C(C)C4CC4)CC3)ccc(Cl)c2-c2ccccc2)nc1
SubComponent,Substitute a CCOC(=O)c1c(N2CCN(c3ccc(Cc4ccccc4)cc3)CC2)[nH]c2ccc(O)cc12 in the molecule hydroxyl with a nitro.,CCOC(=O)c1c(N2CCN(c3ccc(Cc4ccccc4)cc3)CC2)[nH]c2ccc(NO)cc12
DelComponent,Please remove a amide from the molecule O=C(CSc1nnnn1CC1CCCO1)NC(c1ccccc1)c1ccc(Cl)cc1.,Clc1ccc(C(Sc2nnnn2CC2CCCO2)c2ccccc2)cc1
LogP,Please optimize the molecule CCCNc1cncc(NCc2cccc(C#N)c2)n1 to have a higher LogP value.,CCCNc1cncc(NCc2ccccc2)n1
MR,Modify the molecule CC(C)(C)S(=O)(=O)NC1CCC(CNc2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1 to decrease its MR value.,CC(C)(C)S(=O)(=O)NC1CCC(CNS(=O)(=O)NC2CCCCC2)CC1
QED,Please optimize the molecule CC(C)(C)c1ccccc1Oc1c(Cl)cccc1CCl to have a higher QED value.,CC(C)(C)Oc1c(Cl)cccc1CCl
AtomNum,"There is a molecule composed of 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 chlorine atoms.",CC(c1ccc(Cl)c(Cl)c1)c1nc(C2([NH3+])CCCC2)no1
BondNum,"The molecule has 17 single bonds, 4 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(=O)N1CCN(C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)CC1
FunctionalGroup,There is a molecule composed of and 1 amine group.,CCCNc1nc(-c2cnnn2C)nc(-n2cncn2)n1
AddComponent,Add a aldehyde to the molecule Fc1cc(Br)ccc1CNc1ccn(-c2ccccc2)n1.,O=CCc1ccc(-n2ccc(NCc3ccc(Br)cc3F)n2)cc1
SubComponent,Substitute a CCN(Cc1ccc(OCC[NH+]2CCCCCC2)cc1)c1cccc(O)c1 in the molecule hydroxyl with a nitrile.,CCN(Cc1ccc(OCC[NH+]2CCCCCC2)cc1)c1cccc(C#N)c1
DelComponent,Modify the molecule amine by removing a CC(Nc1ccccc1SC(F)F)c1ccncc1.,CC(c1ccncc1)c1ccccc1SC(F)F
LogP,Optimize the molecule CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2cnsc2)cc1OC to have a higher LogP value.,CC[NH+](CC)CCNC(=O)c1cc(-c2ccccc2)c(NC(=O)Nc2cnsc2)cc1OC
MR,Please optimize the molecule CNC(=O)c1ccc(CN(C)C(=O)c2ccc3c(c2)CC(C)N3S(C)(=O)=O)cc1 to have a lower MR value.,CNC(=O)CN(C)C(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
QED,Optimize the molecule CC1=NC(OCC(F)(F)F)CC=C1C[NH3+] to have a lower QED value.,[NH3+]CC1=CCC(OCC(F)(F)F)N=C1CO
AtomNum,"The molecule is composed of 19 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CSc1ccc(CCNC(=O)CCc2ccccc2C(=O)[O-])cc1
BondNum,"The molecule contains 6 single bonds, 4 rotatable bonds, and 17 aromatic bonds.",Fc1ccc(-c2noc(COc3cccc(I)c3)n2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 amide group, 2 thioether groups, and 1 sulfide group.",C=CC(=O)NCC1CCCCS1
AddComponent,Modify the molecule Cc1ccc2c(c1)N(C)C(=O)C=C(c1ccccc1)N2 by adding a hydroxyl.,Cc1ccc2c(c1)N(C)C(=O)C=C(c1ccc(O)cc1)N2
SubComponent,Substitute a CCc1c(C)[nH]c2c(Cl)cc(Nc3c[nH+]ccc3N)cc12 in the molecule halo with a aldehyde.,CC(=O)c1cc(Nc2c[nH+]ccc2N)cc2c(CC)c(C)[nH]c12
DelComponent,Modify the molecule benzene ring by removing a CCNC(=[NH+]CCNC(=O)c1cccc(OC)c1)N1CCC2(CCCC2)C1.,CCNC(=[NH+]CCNC(=O)OC)N1CCC2(CCCC2)C1
LogP,Please modify the molecule N#CC1CNCCN1Cc1nnnn1C1CC1 to decrease its LogP value.,OC1CNCCN1Cc1nnnn1C1CC1
MR,Please optimize the molecule CN1CC[NH+](C2=C(Cl)C(=O)N(c3ccccc3Sc3ccccc3)C2=O)CC1 to have a higher MR value.,CN1CC[NH+](C2=C(Cl)C(=O)N(c3ccccc3Sc3ccccc3)C2=O)C(O)C1
QED,Modify the molecule CCOP(=O)(CN=C(Cl)C(=O)C(C)(C)C)OCC to have a lower QED value.,CCOP(=O)(CN=C(NO)C(=O)C(C)(C)C)OCC
AtomNum,"There is a molecule consisting of 14 carbon atoms, and 4 nitrogen atoms.",Cc1cc(C#N)cc(Nc2cccc(C#N)c2)n1
BondNum,"Please generate a molecule with 23 single bonds, 3 double bonds, and 2 rotatable bonds.",CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CC1
FunctionalGroup,The molecule has and 1 benzene ring group.,COc1cccc(-c2ccc[nH]c2=O)c1
AddComponent,Please add a benzene ring to the molecule CNC(=O)Nc1c(CC=C(C)CCC(=O)OCC[NH+]2CCSC2)c(OC)c(C)c2c1C(=O)OC2.,CNC(=O)Nc1c(CC=C(C)CCC(=O)OCC[NH+]2CCSC2)c(OCc2ccccc2)c(C)c2c1C(=O)OC2
SubComponent,Modify the molecule halo by substituting a O=C(C1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1)N1CCCCC1 with a thiol.,O=C(C1CCN(c2cnn(Cc3ccccc3)c(=O)c2S)CC1)N1CCCCC1
DelComponent,Remove a CSc1ccc(NC(=O)C2(C(C)C)CC[NH2+]C2)cc1 from the molecule benzene ring.,CSNC(=O)C1(C(C)C)CC[NH2+]C1
LogP,Modify the molecule CC(C)(C)C(=O)Oc1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)c2c1C1c3ccccc3C2(COc2ccccc2)c2ccccc21 to decrease its LogP value.,CC(C)(C)C(=O)Oc1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2C(=O)[OH])c2c1C1c3ccccc3C2(COc2ccccc2)c2ccccc21
MR,Modify the molecule Nc1ccccc1-c1cc(NC2CC[NH+](Cc3ccccc3O)CC2)n2ncc(Br)c2n1 to have a higher MR value.,CC(=O)c1ccccc1C[NH+]1CCC(Nc2cc(-c3ccccc3N)nc3c(Br)cnn23)CC1
QED,Optimize the molecule O=C(NCC1CCCC1CO)c1cc(Cl)ccc1Cl to have a lower QED value.,CC(=O)c1ccc(Cl)c(C(=O)NCC2CCCC2CO)c1
AtomNum,"The molecule is composed of 16 carbon atoms, 4 nitrogen atoms, and 1 fluorine atom.",Nc1cccc2c1CN(c1nc3ccc(F)cc3[nH]1)CC2
BondNum,"There is a molecule with 8 single bonds, 1 rotatable bond, and 6 aromatic bonds.",CC1(C)OCC(c2ccncc2)O1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 3 halo groups, and 1 sulfone group.",CCN(CC1CCCC1)c1nc(C)c(C)cc1CN(c1ncc(OCCS(C)(=O)=O)cn1)C(C)c1cc(C)cc(C(F)(F)F)c1
AddComponent,Add a benzene ring to the molecule CCC1CCCCC1n1cc(CCBr)nn1.,CCC1CCCCC1(c1ccccc1)n1cc(CCBr)nn1
SubComponent,Modify the molecule halo by substituting a CCOC(=O)C(C(=O)OCC)c1cccc(F)c1-c1ncccn1 with a aldehyde.,CC(=O)c1cccc(C(C(=O)OCC)C(=O)OCC)c1-c1ncccn1
DelComponent,Please remove a benzene ring from the molecule C=C1CCC(OCCCCOc2ccc(OCCCCCCOC)cc2)CC1.,C=C1CCC(OCCCCOOCCCCCCOC)CC1
LogP,Modify the molecule Brc1cccc2c1NCCC1(CC1)N2 to have a lower LogP value.,N#Cc1cccc2c1NCCC1(CC1)N2
MR,Please modify the molecule Cc1ccc2nc(COC(=O)c3ccccc3Sc3ccccc3C#N)cc(=O)n2c1 to decrease its MR value.,Cc1ccc2nc(COC(=O)c3ccccc3Sc3ccccc3)cc(=O)n2c1
QED,Modify the molecule Oc1oc(-c2ccccc2)nc1C=NC1=CCSCC1 to have a lower QED value.,CC(=O)c1oc(-c2ccccc2)nc1C=NC1=CCSCC1
AtomNum,"The molecule contains 24 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",CCCCCCCCCCC(C[NH2+]CCOCCC(=O)[O-])CC(C)OCCOCCO
BondNum,"The molecule contains 14 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",CCCc1cccc(C(NN)C(C)(C)[NH+](CC)CC)c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, 2 amine groups, 1 halo group, and 1 sulfone group.",Nc1ccc(F)cc1C(=O)Nc1cccc(S(N)(=O)=O)c1
AddComponent,Modify the molecule CCc1nc(C)c(C(=O)[O-])c(SCC(C)C(N)=O)n1 by adding a benzene ring.,CCc1nc(C)c(C(=O)[O-])c(SCC(C)(C(N)=O)c2ccccc2)n1
SubComponent,Please substitute a hydroxyl in the molecule CC1CC(=O)N(Cc2ccc(O)cc2)C(=O)C1 with a carboxyl.,CC1CC(=O)N(Cc2ccc(C(=O)[OH])cc2)C(=O)C1
DelComponent,Remove a halo from the molecule COC(C)(CNC(=O)C(=O)NCCC1=CCCCC1)c1cccc(Cl)c1.,COC(C)(CNC(=O)C(=O)NCCC1=CCCCC1)c1ccccc1
LogP,Please optimize the molecule CCC(=CCO)[Si](C)(C)C to have a higher LogP value.,CC(=O)CC=C(CC)[Si](C)(C)C
MR,Optimize the molecule CC(C)(C)C(CCCl)NC(=O)c1csc2ccccc12 to have a lower MR value.,CCC(NC(=O)c1csc2ccccc12)C(C)(C)C
QED,Modify the molecule N#Cc1ccc(-c2cc(NC(=O)c3ccc(Cl)c(Oc4ncnc5c4OCCN5)c3)cc(C(F)(F)F)c2)cc1 to have a higher QED value.,O=C(Nc1cc(-c2ccccc2)cc(C(F)(F)F)c1)c1ccc(Cl)c(Oc2ncnc3c2OCCN3)c1
AtomNum,"The molecule contains 15 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 3 fluorine atoms, and 1 chlorine atom.",CC[N+]1(CCCl)C=C(C(=O)[O-])C(=O)c2c(C)c(F)c(F)c(F)c21
BondNum,"There is a molecule composed of 8 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCCCc1ccc(CNc2cccc(F)c2)cc1
FunctionalGroup,The molecule consists of and 1 amide group.,Cc1cc(C(=O)NC2(C)CCOC2C)nc2c1c(=O)n(C)c(=O)n2C
AddComponent,Modify the molecule CC1CCC[NH+](Cc2csc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)n2)C1 by adding a hydroxyl.,CC1CCC[NH+](Cc2csc(NC(=O)c3ccc(-c4nc5cc(O)ccc5s4)o3)n2)C1
SubComponent,Substitute a halo in the molecule O=C(NCc1cccc(N2CCOCC2)n1)c1cncc(C(F)(F)F)c1 with a thiol.,O=C(NCc1cccc(N2CCOCC2)n1)c1cncc(C(F)(F)S)c1
DelComponent,Remove a amide from the molecule CCn1cc(N)c(C(=O)Nc2ccc(C)c(C)c2)n1.,CCn1cc(N)-n1-c1ccc(C)c(C)c1
LogP,Modify the molecule CNC(=O)c1ccc(Cl)c(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3C)CC2)C(C)C)c1 to have a higher LogP value.,CNC(=O)c1ccc(Cl)c(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3C)CC2c2ccccc2)C(C)C)c1
MR,Optimize the molecule O=C([O-])CNC(=O)c1cccc(NC(=O)COC2CC[NH2+]CC2)c1 to have a lower MR value.,O=C([O-])CNC(=O)NC(=O)COC1CC[NH2+]CC1
QED,Optimize the molecule CCC(C=C(C)C)=NC(C)C to have a lower QED value.,CCC(C=C(C)CCC=O)=NC(C)C
AtomNum,"The molecule consists of 15 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",CCOC(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1
BondNum,"Please generate a molecule composed of 5 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",Nc1cc(C[NH3+])cnc1-c1ccc(O)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 1 thioether group, and 1 sulfide group.",CSc1ccccc1OCc1cc(C(=O)N(C)CC2(C)CC[NH+](C)C2)no1
AddComponent,Add a amine to the molecule CC[NH2+]C(CN(CC)C(C)CC)c1cc(C)ccc1C.,CC[NH2+]C(CN(CCN)C(C)CC)c1cc(C)ccc1C
SubComponent,Substitute a hydroxyl in the molecule COC1CCC[NH+](C(C)CC(N)=[NH+]O)C1 with a aldehyde.,CC(=O)[NH+]=C(N)CC(C)[NH+]1CCCC(OC)C1
DelComponent,Remove a halo from the molecule FC(F)c1cc2c([S-])cc(Cl)cc2s1.,FC(F)c1cc2c([S-])cccc2s1
LogP,Optimize the molecule COC(=O)c1ccc(Cc2cn(CC3CCN(C(=O)OC(C)(C)C)CC3)c3cc(F)ccc23)cc1 to have a lower LogP value.,COC(=O)c1ccc(Cc2cn(CC3CCN(C(=O)OC(C)(C)C)CC3)c3cc(C(=O)[OH])ccc23)cc1
MR,Modify the molecule C=CCOc1ccccc1CNN(C)C to have a lower MR value.,C=CCOCNN(C)C
QED,Please optimize the molecule OC(Cc1cc(F)cc(F)c1)C1CCOC2(CCSC2)C1 to have a higher QED value.,OC(Cc1cccc(F)c1)C1CCOC2(CCSC2)C1
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CC(C)CC(C)N(C)C(=O)N(C)C1COCC1C(=O)[O-]
BondNum,"There is a molecule composed of 27 single bonds, 5 double bonds, and 16 rotatable bonds.",CC(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C(=O)[O-])C(C)C
FunctionalGroup,Please generate a molecule with and 1 hydroxyl group.,CCC(O)(C(=O)[O-])c1ccc2c(c1)CCCC2
AddComponent,Please add a carboxyl to the molecule C1=CC(N(c2ccccc2)c2ccc3c(c2)CC3)=CCC1.,O=C(O)c1cccc(N(C2=CCCC=C2)c2ccc3c(c2)CC3)c1
SubComponent,Substitute a halo in the molecule Cn1c(CCl)c[nH+]c1SCC1CCOC1 with a thiol.,Cn1c(CS)c[nH+]c1SCC1CCOC1
DelComponent,Please remove a amine from the molecule CCNc1nsc2cccc(OC(F)F)c12.,CCc1nsc2cccc(OC(F)F)c12
LogP,Modify the molecule CC(C[NH+]1CCCCC1)NS(=O)(=O)c1[nH]ncc1C(=O)[O-] to increase its LogP value.,CC(C[NH+]1CCCCC1)S(=O)(=O)c1[nH]ncc1C(=O)[O-]
MR,Please optimize the molecule N#Cc1cc(C(F)F)nc(C(F)(F)F)c1Br to have a lower MR value.,FC(F)c1ccc(Br)c(C(F)(F)F)n1
QED,Please optimize the molecule CC(C)(C)[NH2+]Cc1coc(N2CCCSCC2)n1 to have a lower QED value.,CC(C)(C)[NH2+]Cc1coc(N2CCCSCC2C(=O)O)n1
AtomNum,"The molecule has 11 carbon atoms, 1 oxygen atom, and 1 chlorine atom.",CC(C)C(C)(CCl)CC1CCCO1
BondNum,"There is a molecule consisting of 8 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Nn1c(SCC(=O)[O-])nnc1-c1cc(Cl)ccc1Br
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 halo group.",CCC([NH3+])Cc1ccc(N(CC)c2ccc(F)cc2)nc1
AddComponent,Add a benzene ring to the molecule COc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1.,COc1ccc(CC(=O)Nc2c(-c3ccccc3)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
SubComponent,Please substitute a halo in the molecule CC(C(=O)N1CCC(C#N)CC1)n1cc(Cl)cn1 with a nitrile.,CC(C(=O)N1CCC(C#N)CC1)n1cc(C#N)cn1
DelComponent,Modify the molecule halo by removing a O=C([O-])Cc1c[nH]c(C(F)F)c([N+](=O)[O-])c1=O.,O=C([O-])Cc1c[nH]c(CF)c([N+](=O)[O-])c1=O
LogP,Please optimize the molecule CCC(=O)N(C(=O)OC(C)(C)C)C1C=CC(n2cnc3c(NC(CC)CC)nc(Cl)nc32)C1 to have a lower LogP value.,CCC(=O)N(C(=O)OC(C)(C)C)C1C=CC(n2cnc3c(NC(CC)CC)nc(NO)nc32)C1
MR,Optimize the molecule C[NH2+]C1CC[NH+](Cc2c(C)cc(C)cc2C)CC1 to have a higher MR value.,C[NH2+]C1(N)CC[NH+](Cc2c(C)cc(C)cc2C)CC1
QED,Optimize the molecule CCc1cccc(NC(N)=[NH+]CC2(c3ccc(Br)cc3)CCOCC2)c1 to have a lower QED value.,CCc1cccc(NC(N)=[NH+]CC2(c3ccc(O)cc3)CCOCC2)c1
AtomNum,"The molecule is composed of 15 carbon atoms, 2 nitrogen atoms, and 1 bromine atom.",CCc1c(C)nn(CC2(CBr)CCCCC2)c1C
BondNum,"There is a molecule composed of 11 single bonds, 2 double bonds, 3 rotatable bonds, and 15 aromatic bonds.",CC(=O)c1c[nH]c(C(=O)N2CCCC(c3nc4ccccc4o3)C2)c1
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 ester groups, and 1 amine group.",CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(C#CC[NH+](C)Cc4cccc(CC(=O)OC)c4)c(C(=O)OC)c3)c2n1
AddComponent,Add a hydroxyl to the molecule OCCCCOc1cncc(Cl)c1.,OCCCCOc1cnc(O)c(Cl)c1
SubComponent,Modify the molecule hydroxyl by substituting a CCCCCCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1O with a nitrile.,CCCCCCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1C#N
DelComponent,Please remove a CCOC(=O)CC(C(=O)OCC)[P+](CP(CP(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 from the molecule benzene ring.,CCOC(=O)CC(C(=O)OCC)[P+](CP(CPc1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
LogP,Please modify the molecule CC[NH2+]C(Cc1cn2ccsc2[nH+]1)c1ccoc1C to decrease its LogP value.,CC[NH2+]C(Cc1cn2c(C(=O)O)csc2[nH+]1)c1ccoc1C
MR,Please optimize the molecule CCc1cccc(C)c1NC(=O)CC[NH2+]C(C)C to have a lower MR value.,CCc1cccc(C)c1C[NH2+]C(C)C
QED,Modify the molecule COc1ccc(S(=O)(=O)N2CCCC(Oc3ccc(N(C)C)nn3)C2)cc1 to have a higher QED value.,COS(=O)(=O)N1CCCC(Oc2ccc(N(C)C)nn2)C1
AtomNum,"The molecule is composed of 13 carbon atoms, and 3 oxygen atoms.",CC(CO)(C(=O)[O-])c1ccc2c(c1)CCC2
BondNum,"There is a molecule with 8 single bonds, 5 rotatable bonds, and 21 aromatic bonds.",CSc1n[nH]c2ncnc(Nc3c(C)nn(Cc4ccccc4)c3C)c12
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",Cc1ccnc(N2CCC(C(=O)NC3CC(c4cccc(F)c4)[NH2+]N3)CC2)n1
AddComponent,Please add a benzene ring to the molecule CCc1cc(CC[NH+](C)CCC(C)[NH3+])ccc1OC.,CCc1cc(CC[NH+](C)CCC([NH3+])Cc2ccccc2)ccc1OC
SubComponent,Substitute a halo in the molecule Cc1ccccc1C(=O)Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1 with a thiol.,Cc1ccccc1C(=O)Nc1cccc(-c2cccc(-c3ccc(S)cc3)n2)c1
DelComponent,Please remove a CCNC(NCC)=[NH+]Cc1cc(Cl)c2c(c1)OCCO2 from the molecule amine.,CCNC(CC)=[NH+]Cc1cc(Cl)c2c(c1)OCCO2
LogP,Modify the molecule CCCCN(C)c1nccc2ccc(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)C[NH2+]Cc3cccc(CC)c3)cc12 to decrease its LogP value.,CCCCN(C)c1nccc2ccc(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)C[NH2+]Cc3cccc(CC)c3O)cc12
MR,Please optimize the molecule COC(=O)c1cccc(C(=O)Nc2nc3ccc(Cl)cn3n2)c1 to have a lower MR value.,COC(=O)c1cccc(C(=O)Nc2nc3ccc(C#N)cn3n2)c1
QED,Optimize the molecule CCOc1c(Cl)cc(C=CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1OC to have a lower QED value.,CCOc1c(S)cc(C=CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1OC
AtomNum,"There is a molecule composed of 13 carbon atoms, and 2 oxygen atoms.",CC(=O)c1ccccc1C1CCC(O)C1
BondNum,"Please generate a molecule composed of 14 single bonds, 1 triple bond, 7 rotatable bonds, and 18 aromatic bonds.",CCCCCc1ccc(-c2ccc(C#Cc3ccc(CCC)c(F)c3F)cc2)c(F)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 halo group, and 2 nitrile groups.",CCCCCC(C#N)(C#N)Cc1ccc(F)cc1
AddComponent,Please add a amine to the molecule CCC1COC(CCC2CCC(c3ccc(CCc4ccc(OCC(F)(F)F)c(F)c4)c(F)c3)CC2)OC1.,CCC1COC(CCC2(N)CCC(c3ccc(CCc4ccc(OCC(F)(F)F)c(F)c4)c(F)c3)CC2)OC1
SubComponent,Substitute a Oc1cncc2c1CCCO2 in the molecule hydroxyl with a nitrile.,N#Cc1cncc2c1CCCO2
DelComponent,Modify the molecule CCOC(=O)C1CCC[NH+](CCOC(c2ccc(O)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1 by removing a benzene ring.,CCOC(=O)C1CCC[NH+](CCOC(OC)(c2ccc(O)cc2)c2ccc(OC)cc2)C1
LogP,Modify the molecule COCC([NH3+])CCCc1cc(OC(F)(F)F)c(F)c(-c2cc3cn(-c4cc(F)c(C5CCCC(CC[NH+]=C(C)N)[NH2+]5)c(F)c4)c(=O)nc3[nH]2)c1 to decrease its LogP value.,COCC([NH3+])CCCc1cc(OC(F)(F)C#N)c(F)c(-c2cc3cn(-c4cc(F)c(C5CCCC(CC[NH+]=C(C)N)[NH2+]5)c(F)c4)c(=O)nc3[nH]2)c1
MR,Optimize the molecule O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 to have a higher MR value.,O=CCc1ccc(C(CC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1
QED,Modify the molecule Cn1nc(C(F)(F)C(F)(F)F)c(SC2CC2)c1-n1cc(-c2ccc(Cl)c(C(=O)NC3(C#N)CC3)c2)cn1 to decrease its QED value.,Cn1nc(C(F)(S)C(F)(F)F)c(SC2CC2)c1-n1cc(-c2ccc(Cl)c(C(=O)NC3(C#N)CC3)c2)cn1
AtomNum,"The molecule consists of 8 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C1NOCC1Nc1cccc(Cl)n1
BondNum,"There is a molecule consisting of 9 single bonds, 2 double bonds, 1 rotatable bond, and 6 aromatic bonds.",Cn1cc(Br)c(NC(=O)OC(C)(C)C)cc1=O
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 1 amide group.",CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2)cc1
AddComponent,Modify the molecule O=C(Cc1coc2cc3c(cc12)CCC3)OCC(=O)N1CCCC1c1ccc2c(c1)OCCO2 by adding a benzene ring.,O=C(Cc1coc2cc3c(cc12)CCC3)OCC(=O)N1C(c2ccccc2)CCC1c1ccc2c(c1)OCCO2
SubComponent,Substitute a halo in the molecule O=C(CCCN1C(=O)CNC1=O)OCc1ccc(Cl)c(Cl)c1 with a aldehyde.,CC(=O)c1ccc(COC(=O)CCCN2C(=O)CNC2=O)cc1Cl
DelComponent,Modify the molecule amine by removing a COc1cc2nc(NCc3cccnc3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC.,COc1cc2nc(Cc3cccnc3)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
LogP,Optimize the molecule COCC[NH2+]CCNC(=O)c1cc(C(F)(F)F)ccc1F to have a lower LogP value.,CC(=O)C(F)(F)c1ccc(F)c(C(=O)NCC[NH2+]CCOC)c1
MR,Modify the molecule CNc1ncnc2c(C3OC(CO)C(O)C3(C)O)coc12 to increase its MR value.,CNc1ncnc2c(C3OC(CC#N)C(O)C3(C)O)coc12
QED,Please modify the molecule O=S(=O)(Oc1c[nH]c2cc(Cl)c(Br)cc12)Oc1c[nH]c2cc(Cl)c(Br)cc12 to increase its QED value.,O=S(=O)(Oc1c[nH]c2cc(Cl)ccc12)Oc1c[nH]c2cc(Cl)c(Br)cc12
AtomNum,"The molecule is composed of 24 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4ccncc4)c(C)o3)cc2)o1
BondNum,"There is a molecule composed of 17 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",Cn1ccnc1C[NH2+]CCC1CCCN1C(=O)OC(C)(C)C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, and 1 amide group.",COC(=O)C1=CC2(c3ccccc3)C(=O)NCC(C)N2O1
AddComponent,Please add a benzene ring to the molecule Nc1nc(-c2ccc3c(c2)OCO3)nc2c1COCC2.,Nc1nc(-c2cc3c(c(-c4ccccc4)c2)OCO3)nc2c1COCC2
SubComponent,Substitute a halo in the molecule CC1(C)CC(NC(=O)c2c(C(F)(F)F)nc3ccccn23)C(C)(C)O1 with a nitrile.,CC1(C)CC(NC(=O)c2c(C(F)(F)C#N)nc3ccccn23)C(C)(C)O1
DelComponent,Please remove a halo from the molecule O=C(Nc1cc(Cl)ccc1Cl)N(CCCCO)C1CC1.,O=C(Nc1cccc(Cl)c1)N(CCCCO)C1CC1
LogP,Please optimize the molecule O=C1C(=O)N(Cc2ccncc2)C(c2c[nH]c3ccccc23)C1=C([O-])c1ccc(Br)cc1 to have a lower LogP value.,CC(=O)c1ccc(C([O-])=C2C(=O)C(=O)N(Cc3ccncc3)C2c2c[nH]c3ccccc23)cc1
MR,Please optimize the molecule O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)nc1 to have a lower MR value.,O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(O)s3)CC2)nc1
QED,Optimize the molecule Clc1cc(NC2CCCOC2)ccc1C[NH+]1CCOCC1 to have a lower QED value.,O=C(O)C1COCC(Nc2ccc(C[NH+]3CCOCC3)c(Cl)c2)C1
AtomNum,"The molecule has 15 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCCC(CNC(=O)N(C)C1CCCCCC1)C(=O)[O-]
BondNum,"There is a molecule consisting of 20 single bonds, 1 double bond, 1 triple bond, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)(F)CC(NC(c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1
FunctionalGroup,"Please generate a molecule composed of 2 amine groups, and 1 sulfone group.",CCCS(=O)(=O)O[NH+]=C(N)c1cccnc1
AddComponent,Modify the molecule COc1cccc(N2CCOC2c2ccn(-c3ccc(F)cc3)c2)c1 by adding a hydroxyl.,COc1ccc(O)c(N2CCOC2c2ccn(-c3ccc(F)cc3)c2)c1
SubComponent,Substitute a hydroxyl in the molecule CC(O)c1nccn1Cc1nc2ccccc2[nH]1 with a aldehyde.,CC(=O)C(C)c1nccn1Cc1nc2ccccc2[nH]1
DelComponent,Modify the molecule halo by removing a C=C(C)C(=O)OCCCC1(CCCOC(=O)C(=C)C)c2cc(-c3ccc4ccc5cc(C)cc6ccc3c4c56)ccc2-c2ccc(-c3ccc4ccc5cc(CC(F)(F)C(F)(F)F)cc6ccc3c4c56)cc21.,C=C(C)C(=O)OCCCC1(CCCOC(=O)C(=C)C)c2cc(-c3ccc4ccc5cc(C)cc6ccc3c4c56)ccc2-c2ccc(-c3ccc4ccc5cc(CC(F)C(F)(F)F)cc6ccc3c4c56)cc21
LogP,Modify the molecule CC1CC(C(=O)[O-])CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 to decrease its LogP value.,CC1CC(C(=O)[O-])CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2O)C1
MR,Modify the molecule O=C1COC(COc2ccc(I)c3cccnc23)CN1c1ccc(O)cc1 to have a higher MR value.,CC(=O)c1ccc(N2CC(COc3ccc(I)c4cccnc34)OCC2=O)cc1
QED,Modify the molecule O=C(O[Hg]Cc1cc[n+](-c2ccccc2)c2ccccc12)C(F)(F)F to increase its QED value.,O=C(O[Hg]Cc1cc[n+]c2ccccc12)C(F)(F)F
AtomNum,"The molecule is composed of 24 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 4 fluorine atoms.",CC(C)(CCOc1ccc(-c2noc(C(F)(F)F)n2)cc1C(N)=O)c1coc(-c2ccc(F)cc2)n1
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, 1 triple bond, 7 rotatable bonds, and 18 aromatic bonds.",COc1ccc(NC(=O)C(C#N)=Cc2ccc(Cc3cccc(F)c3)c(OC)c2)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 3 amide groups.",[NH3+]CCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])CC(=O)[O-])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]
AddComponent,Please add a hydroxyl to the molecule O=CCCC#Cc1ccc(F)c(Cl)c1.,O=CCCC#Cc1cc(Cl)c(F)cc1O
SubComponent,Substitute a halo in the molecule COCC[NH+](CCC(=O)c1cccc(Br)c1)CC(C)C with a hydroxyl.,COCC[NH+](CCC(=O)c1cccc(O)c1)CC(C)C
DelComponent,Remove a halo from the molecule CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CC[NH2+]CC3)cc2n1.,CC(C)(C)c1cc(C(F)F)n2nc(C3CC[NH2+]CC3)cc2n1
LogP,Please optimize the molecule CCCCC(CC)C([NH2+]CC)c1ccc(OCC)cc1 to have a higher LogP value.,CCCCC(CC)(c1ccccc1)C([NH2+]CC)c1ccc(OCC)cc1
MR,Please modify the molecule COC(=O)C1COCC[NH+]1CC(C)=CCl to decrease its MR value.,C=C(C)C[NH+]1CCOCC1C(=O)OC
QED,Modify the molecule Cc1cc(Br)ccc1C(Br)c1cc(Br)sc1C to have a higher QED value.,Cc1cc(O)ccc1C(Br)c1cc(Br)sc1C
AtomNum,"The molecule consists of 10 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCC[NH2+]CC(C)Cc1nccs1
BondNum,"The molecule has 19 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",C[NH+]=C(NCC1CCOc2ccccc21)N1CCN(c2cccc(OC)c2)CC1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 2 amide groups, 1 halo group, and 1 sulfide group.",CCCNC(=O)CN1C(=O)SC(=Cc2ccc(OCc3cccc(F)c3)cc2)C1=O
AddComponent,Please add a hydroxyl to the molecule Cc1ccnc(S(=O)(=O)NC(=O)CC2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cc(NC(=O)OC(C)(C)C)ccc3O2)c1.,Cc1ccnc(S(=O)(=O)NC(=O)CC2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3O)c3cc(NC(=O)OC(C)(C)C)ccc3O2)c1
SubComponent,Please substitute a CC(C)c1cc(-c2onc(C(N)=[NH2+])c2-c2ccc3c(c2)CC[NH+](C)C3)c(O)cc1O in the molecule hydroxyl with a aldehyde.,CC(=O)c1cc(O)c(C(C)C)cc1-c1onc(C(N)=[NH2+])c1-c1ccc2c(c1)CC[NH+](C)C2
DelComponent,Please remove a benzene ring from the molecule CN(c1ccc(CCC2CC2)cc1)c1ccc2c(c1)CC[NH2+]C2CNc1cnccc1C(=O)[O-].,CN(CCC1CC1)c1ccc2c(c1)CC[NH2+]C2CNc1cnccc1C(=O)[O-]
LogP,Optimize the molecule CC(C)c1n[nH]nc1C(O)C(C)[NH3+] to have a higher LogP value.,CC(Cc1ccccc1)c1n[nH]nc1C(O)C(C)[NH3+]
MR,Please optimize the molecule CCCCOCCOCC(=O)c1cc(Cl)ccc1Cl to have a lower MR value.,CCCCOCCOCC(=O)c1cccc(Cl)c1
QED,Please modify the molecule [NH3+]CC(Cc1ccccc1)c1ccc(F)c(F)c1 to increase its QED value.,[NH3+]CC(Cc1ccccc1C(=O)O)c1ccc(F)c(F)c1
AtomNum,"Please generate a molecule with 11 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",[C-]#[N+]c1cccc(C=CC(C)=O)c1
BondNum,"There is a molecule composed of 9 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C([NH3+])c2ccc(C(C)C)cc2)cc1Cl
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 amine groups, and 4 halo groups.",NC(=[NH2+])c1ccc(Oc2cc(Cl)cc(Cl)c2)c(F)c1Br
AddComponent,Please add a hydroxyl to the molecule CS(=O)(=O)CCCOc1cccc(C(=O)B=N)c1.,CS(=O)(=O)CCCOc1cc(O)cc(C(=O)B=N)c1
SubComponent,Please substitute a halo in the molecule COc1cc(SCC2CCCC2)c(F)cc1N with a carboxyl.,COc1cc(SCC2CCCC2)c(C(=O)[OH])cc1N
DelComponent,Modify the molecule halo by removing a COCCN1CCCC2(CCN(C(=O)c3ccc(Cl)s3)C2)C1=O.,COCCN1CCCC2(CCN(C(=O)c3cccs3)C2)C1=O
LogP,Please optimize the molecule CC(C)(C)c1ccccc1C(=O)NC1CC(C(=O)[O-])C1 to have a higher LogP value.,CC(C)(C)c1(C2CC(C(=O)[O-])C2)cccc-1
MR,Modify the molecule CCc1nn2cc(-c3cccc(Cl)c3Cl)[nH+]c2s1 to have a lower MR value.,CCc1nn2cc(-c3cccc(Cl)c3)[nH+]c2s1
QED,Optimize the molecule COc1ccc2c(c(C)c(C)n2C)c1F to have a higher QED value.,COc1ccc2c(c(C)c(C)n2CC#N)c1F
AtomNum,"The molecule consists of 18 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",O=C(NCCSCc1c(F)cccc1Cl)c1ccc2nccnc2c1
BondNum,"The molecule consists of 226 single bonds, 45 double bonds, 144 rotatable bonds, and 15 aromatic bonds.",CCC(C)C(NC(=O)C(CO)NC(=O)C(CCCC[NH3+])NC(=O)CNC(=O)C(CCCC[NH3+])NC(=O)C(CC(=O)[O-])NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCC(=O)[O-])NC(=O)C(CO)NC(=O)C(NC(=O)C(C)[NH3+])C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCC[NH3+])C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCC[NH3+])C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C(=O)NC1CCOC1=O)C(C)O
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 sulfone group.",O=S(=O)([O-])C1=CC=C2C(=CCc3cccnc3C2=C2CC[NH+](Cc3ccccc3)CC2)C1
AddComponent,Please add a carboxyl to the molecule Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(C)c(-c3cc4cnc(NC(C)C)nc4cc3OCc3ccccc3)c2)cc1.,Cc1ccc(-n2nc(C)c(C(=O)O)c2NC(=O)c2ccc(C)c(-c3cc4cnc(NC(C)C)nc4cc3OCc3ccccc3)c2)cc1
SubComponent,Substitute a halo in the molecule CCOc1cc(C=CC(C)=O)ccc1OCc1ccccc1F with a hydroxyl.,CCOc1cc(C=CC(C)=O)ccc1OCc1ccccc1O
DelComponent,Remove a benzene ring from the molecule Cc1ccc(S(=O)(=O)c2[nH]ncc2-c2ccccc2)cc1.,Cc1ccc(S(=O)(=O)c2ccn[nH]2)cc1
LogP,Please modify the molecule C[NH+]=C(NCCCOC)NC1C[NH+](C(C)C)CC1C to increase its LogP value.,C[NH+]=C(NCCCOC)NC1(c2ccccc2)C[NH+](C(C)C)CC1C
MR,Optimize the molecule CC(C)(C)c1ccc(C[NH2+]CC2CCSC2)cc1 to have a lower MR value.,CC(C)(C)C[NH2+]CC1CCSC1
QED,Please modify the molecule CCOC(=O)CC(Cc1ccc(-c2cc(Cl)ccc2Cl)cc1)NC(=O)CCC(=O)[O-] to increase its QED value.,CCOC(=O)CC(Cc1ccc(-c2cc(C#N)ccc2Cl)cc1)NC(=O)CCC(=O)[O-]
AtomNum,"Please generate a molecule consisting 29 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CCOC(=O)N(C)c1ccc(C(=C2CC[NH+](Cc3ccccc3)CC2)c2cccc(F)c2)cc1
BondNum,"The molecule has 15 single bonds, 3 double bonds, 9 rotatable bonds, and 11 aromatic bonds.",Cc1cc(NC(=O)CN(C)C(=O)CCCNC(=O)OCc2ccccc2)no1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 amine groups, and 1 sulfone group.",CCCNc1ccc(S(=O)(=O)NCC2CCC(C)C2)cc1
AddComponent,Add a hydroxyl to the molecule CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc(Cl)c1Cl.,CC(O)n1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc(Cl)c1Cl
SubComponent,Modify the molecule CN(C)S(=O)(=O)CC1C[NH+](Cc2cc(=O)c3cc(Cl)ccc3[nH]2)CC1O by substituting a halo with a carboxyl.,CN(C)S(=O)(=O)CC1C[NH+](Cc2cc(=O)c3cc(C(=O)[OH])ccc3[nH]2)CC1O
DelComponent,Please remove a benzene ring from the molecule CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2cc(C)ccc2C)CC1.,CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)nn2CC)CC1
LogP,Modify the molecule CCNC(=O)NC(=O)C(C)Oc1ccc(Br)cc1C=O to have a lower LogP value.,CCNC(=O)NC(=O)C(C)OC(=O)Br
MR,Modify the molecule O=C(Cn1cnc2ccc(F)cc2c1=O)N1CC[NH+](Cc2cccc3cccnc23)CC1 to have a higher MR value.,O=C(Cn1cnc2ccc(F)cc2c1=O)N1CC[NH+](Cc2cccc3c(-c4ccccc4)ccnc23)CC1
QED,Modify the molecule COc1ccc(C(=O)C2CC[NH+](C3CCN(C(=O)c4ccc(C)s4)CC3O)CC2)cc1 to decrease its QED value.,COc1ccc(C(=O)C2CC[NH+](C3CCN(C(=O)c4ccc(C)s4)CC3O)CC2)cc1O
AtomNum,"The molecule consists of 18 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCC1CCCCC1C([NH2+]C)C1(OC)CCC(C)CC1
BondNum,"The molecule has 23 single bonds, and 5 rotatable bonds.",CCC[NH2+]C(C1CCOC2(CCOC2)C1)C1COCCO1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 halo group.",O=C(NN=Cc1cc(Br)ccc1O)c1nn(-c2ccccc2)c2c1CCC2
AddComponent,Modify the molecule Cc1cc(C)cc(C(=O)NCC(=O)NC2CCC(C)CC2)c1 by adding a carboxyl.,Cc1cc(C)cc(C(=O)NCC(=O)NC2CCC(C)CC2C(=O)O)c1
SubComponent,Please substitute a halo in the molecule O=S1(=O)CCC(N(Cc2ccco2)CC(O)COc2ccc(Cl)cc2)C1 with a hydroxyl.,O=S1(=O)CCC(N(Cc2ccco2)CC(O)COc2ccc(O)cc2)C1
DelComponent,Remove a benzene ring from the molecule CCCN([O-])c1cccc(O)c1.,CCCN([O-])O
LogP,Modify the molecule C=CCc1cc(O)cc2oc3ccccc3c12 to increase its LogP value.,C=CCc1cc(Cl)cc2oc3ccccc3c12
MR,Modify the molecule ON=C(c1ccncc1)c1ccccn1 to increase its MR value.,CC(=O)N=C(c1ccncc1)c1ccccn1
QED,Modify the molecule COc1ccc(CCCNC(=O)c2ccc(F)c(F)c2F)cc1 to have a lower QED value.,O=C(NCCCc1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1F
AtomNum,"There is a molecule consisting of 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCC(O)C[NH+]1CCN(C(=O)C2Cc3ccccc3N2C(C)=O)CC1
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",CCC(NC(=O)C(C)Cl)c1nccs1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 1 nitro group.",COc1cc2c(cc1OC)N(C(=O)OCc1ccc([N+](=O)[O-])cc1)C(O)C1CCCN1C2=O
AddComponent,Please add a amine to the molecule CCNC(=O)c1cc(NC(=O)C2CCC(F)(F)CC2)nc2ccccc12.,CCNC(=O)c1cc(NC(=O)C2CCC(F)(F)CC2N)nc2ccccc12
SubComponent,Please substitute a hydroxyl in the molecule CCOCC(=O)NC(CCO)COC with a nitrile.,CCOCC(=O)NC(CCC#N)COC
DelComponent,Please remove a CCC(C)CNC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12 from the molecule hydroxyl.,CCC(C)CNC(=O)CCC(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
LogP,Modify the molecule FC(F)(F)c1cccc(N2CCC(=[NH+]CC=Cc3ccccc3)N2)c1 to have a lower LogP value.,OC(F)(F)c1cccc(N2CCC(=[NH+]CC=Cc3ccccc3)N2)c1
MR,Modify the molecule O=C(C1CC(Cc2ccc(F)cc2)=NO1)N1CC2CC3CC(C2)CC1C3 to increase its MR value.,O=C(C1CC(Cc2ccc(F)cc2)=NO1)N1CC2CC3CC(C2)C(O)C1C3
QED,Please modify the molecule C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(N2CCS(=O)(=O)CC2)nc2c(-c3ccc(Cl)nc3)cnn12 to increase its QED value.,C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(N2CCS(=O)(=O)CC2)nc2c(-c3cccnc3)cnn12
AtomNum,"Please generate a molecule with 13 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CCCNC(=O)CCn1c(N)nc2ccc(C)nc21
BondNum,"There is a molecule consisting of 19 single bonds, 3 double bonds, 1 triple bond, 8 rotatable bonds, and 23 aromatic bonds.",C[NH+](C1CC1)C(c1cccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C#N)c2)c1)c1cccc(S(C)(=O)=O)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 halo groups.",Cc1nn(C)c(N(C)Cc2cccc(F)c2)c1CBr
AddComponent,Add a benzene ring to the molecule O=C(Cc1ccc(F)cn1)N1CCOC(c2ncn3cc(-c4ccncc4)ccc23)C1.,O=C(Cc1ccc(F)cn1)N1CCOC(c2ncn3cc(-c4ccncc4)c(-c4ccccc4)cc23)C1
SubComponent,Please substitute a halo in the molecule COc1ccc(-c2nc3n(c2C[NH3+])CCCN3)cc1Br with a thiol.,COc1ccc(-c2nc3n(c2C[NH3+])CCCN3)cc1S
DelComponent,Remove a amine from the molecule CCn1cc(C)[nH+]c1NCCC1CCC(C)CC1.,CCn1cc(C)[nH+]c1CCC1CCC(C)CC1
LogP,Please optimize the molecule CC1(C)OCC(C2OC2c2ccc(S(=O)(=O)c3ccccc3)o2)O1 to have a lower LogP value.,CC1(C)OCC(C2OC2c2ccc([SH](=O)=O)o2)O1
MR,Optimize the molecule CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)C2c2cccc(OCc3ccccc3)c2)cc1 to have a lower MR value.,CCCOc1ccc(C([O-])=C(c2nc3ccc(OC)cc3s2)C(O)c2cccc(OCc3ccccc3)c2)cc1
QED,Modify the molecule Fc1cccc(Oc2cc(C(F)(F)F)nc(-n3ccc(C[NH2+]C4CC4)c3)n2)c1 to increase its QED value.,FOc1cc(C(F)(F)F)nc(-n2ccc(C[NH2+]C3CC3)c2)n1
AtomNum,"Please generate a molecule with 34 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 silicon atoms.",COc1c(NC(C)=O)cccc1C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C(=O)CO)S(=O)(=O)CC[Si](C)(C)C
BondNum,"The molecule has 10 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCCCCN(C)c1cccc(C[NH2+]C)n1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 3 halo groups, and 1 sulfone group.",O=C(NCc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
AddComponent,Modify the molecule CC(=O)N1CCC(NC(=O)c2ccc3c(C4CCCCC4)c4n(c3c2)CCOc2ccccc2-4)(C(=O)Cc2ccc(C=CC(=O)[O-])cc2)CC1 by adding a amine.,NCC(=O)N1CCC(NC(=O)c2ccc3c(C4CCCCC4)c4n(c3c2)CCOc2ccccc2-4)(C(=O)Cc2ccc(C=CC(=O)[O-])cc2)CC1
SubComponent,Modify the molecule halo by substituting a C[NH+](Cc1cc([O-])c2c(c1C(F)(F)F)CC1CC3C([NH+](C)C)C(=O)C(C(N)=O)C(=O)C3(O)C(=O)C1C2=O)CC1CCCCC1 with a nitro.,C[NH+](Cc1cc([O-])c2c(c1C(F)(F)NO)CC1CC3C([NH+](C)C)C(=O)C(C(N)=O)C(=O)C3(O)C(=O)C1C2=O)CC1CCCCC1
DelComponent,Remove a amine from the molecule CCC(CSC)Nc1nc(CCC(=O)OC)cs1.,CCC(CSC)c1nc(CCC(=O)OC)cs1
LogP,Please modify the molecule Nc1ccc(Br)c(Br)c1Cc1c(N)ccc(Br)c1Br to decrease its LogP value.,Nc1ccc(Br)c(Br)c1Cc1c(N)ccc(NO)c1Br
MR,Modify the molecule CCC(C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)NC(C)(C)C to have a lower MR value.,CCC(C)N(CC(=O)N1CCN(c2ccc(OC)nn2)CC1)C(=O)NC(C)(C)C
QED,Modify the molecule CCCCC(CC)C(=O)NCCCN(C(=O)Nc1ccc(C)cc1)c1ccc(F)cc1 to decrease its QED value.,CCCCC(CC)C(=O)NCCCN(C(=O)Nc1ccc(C)cc1)c1ccc(O)cc1
AtomNum,"There is a molecule with 15 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COc1cccc(-c2ccc(C(C)(C)C(=O)[O-])[nH]2)c1
BondNum,"Please generate a molecule consisting 11 single bonds, 8 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(C)c(OCCSc2nnc(COc3ccc(Cl)cc3)o2)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, 1 halo group, and 1 nitrile group.",N#CCc1cc(CF)ccc1O
AddComponent,Modify the molecule COc1ccc(C)cc1C[NH2+]C1CCOC1C1CC1 by adding a carboxyl.,COc1c(C[NH2+]C2CCOC2C2CC2)cc(C)cc1C(=O)O
SubComponent,Please substitute a Cc1cc(C)c[n+](NS(=O)(=O)C(F)(F)F)c1 in the molecule halo with a aldehyde.,CC(=O)C(F)(F)S(=O)(=O)N[n+]1cc(C)cc(C)c1
DelComponent,Modify the molecule COc1ccc(C(CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)[NH+](C)C)cc1 by removing a amide.,COc1ccc(C(CNS(=O)(=O)c2ccccc2)[NH+](C)C)cc1
LogP,Modify the molecule CC1(C)c2ccccc2C(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2cc3c4ccccc4n(-c4cc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)c4)c3cc21 to have a higher LogP value.,CC1(C)c2ccccc2C(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2-c2ccccc2)c2cc3c4ccccc4n(-c4cc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)c4)c3cc21
MR,Please optimize the molecule Cc1ccccc1C(CBr)(CBr)CCS(=O)(=O)C(C)(C)C to have a higher MR value.,Cc1ccc(S)cc1C(CBr)(CBr)CCS(=O)(=O)C(C)(C)C
QED,Please optimize the molecule Cc1ccc2c(C)c(Br)ccc2c1 to have a lower QED value.,Cc1ccc2c(C)cccc2c1
AtomNum,"Please generate a molecule consisting 7 carbon atoms, 2 oxygen atoms, 4 fluorine atoms, and 1 iodine atom.",[O-]c1c(F)cc(OC(F)(F)F)cc1I
BondNum,"The molecule consists of 12 single bonds, 3 rotatable bonds, and 34 aromatic bonds.",c1ccc(-c2c3ccccc3c(Sc3cccc4c3-c3ccccc3C43CCCCC3)c3ccncc23)cc1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 aldehyde group, and 4 halo groups.",Cc1ccc(Cl)cc1Oc1ccc(C=O)cc1C(F)(F)F
AddComponent,Please add a carboxyl to the molecule CC1CCC(C2=[NH+]CC(=O)N2)C1.,CC1CCC(C(=O)O)(C2=[NH+]CC(=O)N2)C1
SubComponent,Substitute a Cc1nc(Cn2nc(C)c(S(=O)(=O)Cl)c2C)sc1C in the molecule halo with a hydroxyl.,Cc1nc(Cn2nc(C)c(S(=O)(=O)O)c2C)sc1C
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(C[NH2+]C(C)(C)C)cc1OCCOCCO.,COC([NH2+]C(C)(C)C)OCCOCCO
LogP,Please optimize the molecule CC(C)[Si](Oc1cc(C(=O)[O-])c(F)cc1F)(C(C)C)C(C)C to have a lower LogP value.,CC(C)[Si](Oc1cc(C(=O)[O-])c(O)cc1F)(C(C)C)C(C)C
MR,Modify the molecule O=C(Cc1ccc(F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1 to increase its MR value.,O=C(Cc1ccc(F)cc1-c1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1
QED,Modify the molecule O=C([O-])c1ccc(S(=O)(=O)NCCC2CCC2)s1 to decrease its QED value.,O=C([O-])c1ccc(S(=O)(=O)CCC2CCC2)s1
AtomNum,"The molecule contains 23 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cn1c(=O)n(C2CCCCC2)c(=O)n(C2CCC(CC3CCCCC3)CC2)c1=O
BondNum,"There is a molecule with 18 single bonds, 3 double bonds, 10 rotatable bonds, and 10 aromatic bonds.",CCCCSc1nnc(SCC2=C(C(=O)OCC)C(c3cccs3)NC(=O)N2)s1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amine group.",Nc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3COCOC3)ccc12
AddComponent,Modify the molecule CCNC(NCCC(C)C)=[NH+]Cc1ccc(N2CCSCC2)cc1 by adding a aldehyde.,CCNC(NCCC(C)C)=[NH+]Cc1ccc(N2CCSCC2CC=O)cc1
SubComponent,Modify the molecule CNc1ccc(Cl)c(C[NH+]2CCCC(C)(O)CC2)n1 by substituting a hydroxyl with a thiol.,CNc1ccc(Cl)c(C[NH+]2CCCC(C)(S)CC2)n1
DelComponent,Remove a BCN(C)C(=O)C(C)(C)CC(=O)C(C)(C)C(=O)SC from the molecule amide.,BCCCCCC(=O)C(C)(C)C(=O)SC
LogP,Please optimize the molecule COc1ccc(OC(C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 to have a higher LogP value.,COc1ccc(OC2CN(S(=O)(=O)c3ccc(C)cc3C)CC2C)cc1
MR,Optimize the molecule CN(C)C(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 to have a higher MR value.,CN(C)C(=O)C1(c2ccc(S)c(Cl)c2)CCCCC1
QED,Modify the molecule O=C(Cc1ccc(Br)o1)C1CSCC[NH2+]1 to decrease its QED value.,O=C([OH])c1ccc(CC(=O)C2CSCC[NH2+]2)o1
AtomNum,"The molecule consists of 17 carbon atoms, and 2 nitrogen atoms.",C[NH+](C)CC1CC1c1cccc2cc(C#N)ccc12
BondNum,"There is a molecule consisting of 9 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",COC(=O)c1cc(C(C)C)n(-c2ccc(Cl)c(Cl)c2)n1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, 1 amide group, and 1 sulfone group.",COC(=O)c1nn(CCc2ccccc2)cc1NC(=O)CS(=O)(=O)c1ccccn1
AddComponent,Modify the molecule CCC(C)C(=O)Nc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCC(C)CC4)c3C)CC2)ccc1OC by adding a aldehyde.,COc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCC(C)CC4)c3C)CC2)cc1NC(=O)C(C)CCCC=O
SubComponent,Modify the molecule halo by substituting a O=C(Cl)c1cccc([N+](=O)[O-])c1Cc1ccccc1 with a carboxyl.,O=C([OH])C(=O)c1cccc([N+](=O)[O-])c1Cc1ccccc1
DelComponent,Modify the molecule amide by removing a NC(=O)CC([NH3+])C(=O)NCC(=O)NC(CO)C(=O)[O-].,NC(=O)C([NH3+])CC(=O)NC(CO)C(=O)[O-]
LogP,Please modify the molecule Cc1cccc(C(=O)Nc2cccc3c2CC[NH2+]C3)c1I to decrease its LogP value.,Cc1ccc-c1(I)-c1cccc2c1CC[NH2+]C2
MR,Modify the molecule CCCSc1nnc(NC(=O)C2Cc3cc(Cl)ccc3C(=O)O2)s1 to increase its MR value.,CCCSc1nnc(NC(=O)C2Cc3cc(S)ccc3C(=O)O2)s1
QED,Optimize the molecule Clc1cc(Sc2nc3ccccc3[nH]2)ccn1 to have a lower QED value.,Clc1nccc(Sc2nc3ccccc3[nH]2)c1-c1ccccc1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 7 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",COc1ccc(C=CC(=O)NC(C)C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1
BondNum,"The molecule contains 15 single bonds, 1 triple bond, and 7 rotatable bonds.",C#CC(CC)N(CCOC)CC1CCC[NH2+]1
FunctionalGroup,"There is a molecule composed of 1 amine group, and 1 nitrile group.",CC(C)N(CCC#N)c1ccc(N)c2cccnc12
AddComponent,Please add a thiol to the molecule O=C([O-])CSC1CC2CC1C1C(=O)NC(=O)C21.,O=C([O-])CSC1(S)CC2CC1C1C(=O)NC(=O)C21
SubComponent,Modify the molecule halo by substituting a CCCC(C(=O)Cl)=C(SC)SC with a carboxyl.,CCCC(C(=O)C(=O)[OH])=C(SC)SC
DelComponent,Modify the molecule amine by removing a C1=CC2(Cc3ccccc3N2)Oc2c1ccc1ccccc21.,C1=CC2(Cc3ccccc32)Oc2c1ccc1ccccc21
LogP,Please modify the molecule O=C1C(=O)N(c2cccc3ccccc23)C(c2ccc(O)c(Cl)c2)C1=C([O-])c1ccc(Cl)c(Cl)c1 to increase its LogP value.,O=C1C(=O)N(c2cccc3cccc(-c4ccccc4)c23)C(c2ccc(O)c(Cl)c2)C1=C([O-])c1ccc(Cl)c(Cl)c1
MR,Modify the molecule CCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])c(Oc2ccccc2)c1O to increase its MR value.,CCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])c(Oc2ccccc2)c1C#N
QED,Please optimize the molecule COCC(O)CN(C)S(=O)(=O)CCC(C)(C)C to have a lower QED value.,COCCCN(C)S(=O)(=O)CCC(C)(C)C
AtomNum,"The molecule contains 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=C(c1ncccn1)c1ccccc1NS(=O)(=O)c1ccccc1
BondNum,"There is a molecule composed of 9 single bonds, 3 double bonds, 6 rotatable bonds, and 21 aromatic bonds.",C[N+](C)(CCC(N)=O)c1cccc2cnn(S(=O)(=O)c3cccc4ccccc34)c12
FunctionalGroup,"The molecule has 1 hydroxyl group, and 1 amide group.",COc1ccc2c3c1OC1c4[nH]c(C(=O)N5CCC(CCO)CC5)c(C)c4CC4C(C2)[NH+](C)CCC314
AddComponent,Please add a hydroxyl to the molecule CCC(C)Nc1c(C2C(F)=CC=CC2(F)c2ccc(F)cc2)c(Cl)[nH+]c2nccnc12.,CCC(C)Nc1c(C2C(F)=CC=CC2(F)c2ccc(F)cc2)c(Cl)[nH+]c2ncc(O)nc12
SubComponent,Substitute a CC12CCC(O)CC13C=CC1(C(C(=O)c4ccccc4-c4ccccc4)=C3)C2CCC2(C)C1CCC2(O)CN(Cc1ccccc1)C(=O)Oc1ccc2ccccc2c1 in the molecule hydroxyl with a carboxyl.,CC12CCC(C(=O)[OH])CC13C=CC1(C(C(=O)c4ccccc4-c4ccccc4)=C3)C2CCC2(C)C1CCC2(O)CN(Cc1ccccc1)C(=O)Oc1ccc2ccccc2c1
DelComponent,Please remove a benzene ring from the molecule CC=Cc1ccc(N(c2cc(-c3cccc4sc5c6ccccc6ccc5c34)cc3ccccc23)c2cc3ccccc3c3c2sc2c4ccccc4c4ccccc4c23)cc1.,CC=CN(c1cc(-c2cccc3sc4c5ccccc5ccc4c23)cc2ccccc12)c1cc2ccccc2c2c1sc1c3ccccc3c3ccccc3c12
LogP,Modify the molecule O=C(CC[NH2+]CCC1=CCCCC1)NCCc1c[nH]c2ccccc12 to have a higher LogP value.,C1=C(CC[NH2+]CCCc2c[nH]c3ccccc23)CCCC1
MR,Please optimize the molecule Cc1noc(-c2ccc(C(=O)N3CCCN(C(=O)Cc4ccccn4)CC3)cc2)n1 to have a higher MR value.,Cc1noc(-c2ccc(C(=O)N3CCCN(C(=O)C(S)c4ccccn4)CC3)cc2)n1
QED,Please optimize the molecule CCc1ccc2oc(C(O)C(NC(=O)CCCCNC(=O)C([NH3+])CC3=CCN(C(N)=[NH2+])C3)C(=O)[O-])c(C)c2c1 to have a higher QED value.,CC(=O)C(c1oc2ccc(CC)cc2c1C)C(NC(=O)CCCCNC(=O)C([NH3+])CC1=CCN(C(N)=[NH2+])C1)C(=O)[O-]
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 3 fluorine atoms, and 1 bromine atom.",CC(NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1)c1ccc(Br)cc1
BondNum,"Please generate a molecule composed of 11 single bonds, 3 double bonds, 1 triple bond, 9 rotatable bonds, and 18 aromatic bonds.",N#CCCN(Cc1cccnc1)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 hydroxyl group.",CCC[NH+](CCC)CC(O)c1ccc(CC(C)C)cc1
AddComponent,Please add a amine to the molecule CCC([NH2+]CC1(CCO)CC1)c1ccccc1.,CCC([NH2+]CC1(C(N)CO)CC1)c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule Nc1cc(O)c2c(c1)CCC(=O)N2 with a aldehyde.,CC(=O)c1cc(N)cc2c1NC(=O)CC2
DelComponent,Remove a hydroxyl from the molecule CS(=O)(=O)N1CCC(CC(=O)NO)(c2ccc(Oc3ccc(Cl)cc3)cc2)S(=O)(=O)CC1.,CS(=O)(=O)N1CCC(CC(N)=O)(c2ccc(Oc3ccc(Cl)cc3)cc2)S(=O)(=O)CC1
LogP,Modify the molecule COC(=O)c1ccc(COC(C[NH3+])c2cccc(C(F)(F)F)c2)cc1 to have a lower LogP value.,COC(=O)c1ccc(COC(C[NH3+])c2cccc(C(F)(F)C(=O)[OH])c2)cc1
MR,Modify the molecule COC(=O)c1c(OC(C)C)ccc(S(C)(=O)=O)c1F to increase its MR value.,COC(=O)c1cc(S(C)(=O)=O)ccc1OC(C)C
QED,Modify the molecule O=c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cn1Cc1ccc(F)c(N2CCOCC2)c1 to have a higher QED value.,O=c1ccc(-c2nc(-c3ccc(OC(O)(F)F)cc3)no2)cn1Cc1ccc(F)c(N2CCOCC2)c1
AtomNum,"There is a molecule with 19 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 chlorine atoms.",CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(C)C)cc1
BondNum,"Please generate a molecule with 15 single bonds, 2 double bonds, 6 rotatable bonds, and 21 aromatic bonds.",C=[N+](c1ccc2[nH]c(C(=O)c3cnn(-c4ccc(OC)cc4C)c3N)cc2c1)N1CCOCC1
FunctionalGroup,"Please generate a molecule with 1 amine group, and 1 nitrile group.",CCC(C)[NH+](C)CCNc1cnc(C#N)cn1
AddComponent,Add a benzene ring to the molecule CC(=O)NC(CCSCc1ccc(Br)cc1)C(=O)[O-].,CC(=O)NC(CCSCc1ccc(Br)cc1-c1ccccc1)C(=O)[O-]
SubComponent,Modify the molecule hydroxyl by substituting a CCc1c2c(nc3ccc(OC(=O)OCCSC)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC with a aldehyde.,CC(=O)C1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC(=O)OCCSC)cc1c2CC
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)Nc5cccc(F)c5)ccc4C)CC3)c2)c1.,CC(=O)Nc1ccc(F)c(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4cccc(F)c4)ccc3C)CC2)c1
LogP,Please optimize the molecule Cc1ncn(-c2ccc(C(=O)NC3CCN(c4ncc(Cl)c5c(N)noc45)C3)c(Cl)c2)n1 to have a lower LogP value.,CC(=O)c1cnc(N2CCC(NC(=O)c3ccc(-n4cnc(C)n4)cc3Cl)C2)c2onc(N)c12
MR,Modify the molecule CC1COC(CBr)CN1c1ccc(C(C)(C)C)cn1 to have a lower MR value.,CC1CN(c2ccc(C(C)(C)C)cn2)C(C)CO1
QED,Please optimize the molecule Cc1cc(O)c(C2CCCCC2)cc1C12CC3CC(c4cc(C5CCCCC5)c(O)cc4C)(C1)CC(c1cc(C4CCCCC4)c(O)cc1C)(C3)C2 to have a lower QED value.,CC(=O)c1cc(C)c(C23CC4CC(c5cc(C6CCCCC6)c(O)cc5C)(CC(c5cc(C6CCCCC6)c(O)cc5C)(C4)C2)C3)cc1C1CCCCC1
AtomNum,"There is a molecule with 21 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",CC1CCCC(C)N1C(=O)COc1ccc(C(=O)NC(C(=O)[O-])C2CC2)cc1
BondNum,"Please generate a molecule consisting 12 single bonds, 5 rotatable bonds, and 17 aromatic bonds.",Cc1cccc(N2CCN(c3ccnc(NCc4ccco4)n3)CC2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ketone group, and 2 halo groups.",COCCCC([NH3+])C(=O)c1c(F)ccc(C)c1F
AddComponent,Add a aldehyde to the molecule O=C(c1ccc(Cn2cccn2)o1)N1CC(CO)CC(C[NH+]2CCOCC2)C1.,O=CCc1cc(C(=O)N2CC(CO)CC(C[NH+]3CCOCC3)C2)oc1Cn1cccn1
SubComponent,Modify the molecule NNc1ccc(C(=O)N2CCCC2CO)nc1 by substituting a hydroxyl with a nitrile.,N#CCC1CCCN1C(=O)c1ccc(NN)cn1
DelComponent,Modify the molecule amide by removing a Cc1cc(C)c(NC(=O)Cc2c(C)n(C)c3ccccc23)c(Cl)c1.,Cc1cc(C)c(-c2c(C)n(C)c3ccccc23)c(Cl)c1
LogP,Please modify the molecule Fc1ccc(CN2CC[NH+](C3C=CCCC3)CC2)c(Cl)c1 to decrease its LogP value.,Clc1ccccc1CN1CC[NH+](C2C=CCCC2)CC1
MR,Modify the molecule CCc1cnc(C(C)Nc2nc(C(C)C)ns2)s1 to increase its MR value.,CCc1cnc(C(C)Nc2nc(C(C)(C)N)ns2)s1
QED,Modify the molecule CC(C)CC([NH3+])C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCC1C[NH+]1CCCC1 to have a lower QED value.,CC(C)CC([NH3+])C(=O)NC(Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)N1CCCC1C[NH+]1CCCC1
AtomNum,"There is a molecule composed of 19 carbon atoms, and 2 nitrogen atoms.",Nc1cccc2c1C[NH+](Cc1ccc3c(c1)CCC3)CC2
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C2(CNC(=O)c3ccccc3)CC2)cc1
FunctionalGroup,The molecule has and 2 benzene ring groups.,CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc13)c1ccccc21
AddComponent,Please add a benzene ring to the molecule COc1cc(C=NNC(=O)C=Cc2ccccc2)ccc1OCc1ccccc1Cl.,COc1cc(C=NNC(=O)C=Cc2ccccc2-c2ccccc2)ccc1OCc1ccccc1Cl
SubComponent,Substitute a halo in the molecule Clc1ccc(CC[NH+]2CCC(c3ccccc3)(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 with a hydroxyl.,Oc1ccc(CC[NH+]2CCC(c3ccccc3)(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1
DelComponent,Please remove a benzene ring from the molecule COc1cc(C=C(C)C(C)[NH3+])ccc1O.,COC(O)=C(C)C(C)[NH3+]
LogP,Modify the molecule CN(Cc1ccccc1Br)S(=O)(=O)N1CC[NH2+]CC1 to have a lower LogP value.,O=S(=O)(N1CC[NH2+]CC1)N(CO)Cc1ccccc1Br
MR,Please modify the molecule CC(=O)N1CCN(C(=O)C(C)n2nc(C)ccc2=O)CC1 to decrease its MR value.,CC(=O)N1CCC(Cn2nc(C)ccc2=O)C1
QED,Please modify the molecule COC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)N(C(=O)CC(O)C([NH3+])Cc1ccccc1)C(=O)C(CC(C)C)NC(=O)COc1ccccc1 to increase its QED value.,CC(=O)C(CC(=O)N(C(=O)C(CC(C)C)NC(=O)COc1ccccc1)C(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)OC)C([NH3+])Cc1ccccc1
AtomNum,"There is a molecule composed of 32 carbon atoms, 6 oxygen atoms, and 3 fluorine atoms.",C=CCOc1ccc(-c2ccc(C(=O)Oc3ccccc3C(=O)OCCC(OCCCCC)C(F)(F)F)cc2)cc1
BondNum,"The molecule consists of 11 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCc1nnc(NC(=O)C(CC)C(N)=S)nc1CC
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, 1 nitrile group, and 1 sulfide group.",N#Cc1ccccc1Nc1ccsc1
AddComponent,Please add a carboxyl to the molecule Cc1ccccc1-c1nc(C[NH+](CCO)CCO)no1.,Cc1cccc(C(=O)O)c1-c1nc(C[NH+](CCO)CCO)no1
SubComponent,Please substitute a halo in the molecule [NH3+]C1CCOc2ccc(Br)c([N+](=O)[O-])c21 with a hydroxyl.,[NH3+]C1CCOc2ccc(O)c([N+](=O)[O-])c21
DelComponent,Modify the molecule halo by removing a O=C([O-])c1sc2c(Br)cccc2c1[S-].,O=C([O-])c1sc2ccccc2c1[S-]
LogP,Modify the molecule CC1(C)c2ccccc2-c2ccc(-c3cc4c(cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc(-c6cc(F)cc(F)c6)nc54)c4nc(-c5cc(F)cc(F)c5)ccc34)cc21 to increase its LogP value.,CC1(C)c2ccccc2-c2ccc(-c3cc4c(cc(-c5ccc6c(c5)C(C)(Cc5ccccc5)c5ccccc5-6)c5ccc(-c6cc(F)cc(F)c6)nc54)c4nc(-c5cc(F)cc(F)c5)ccc34)cc21
MR,Please optimize the molecule O=C([O-])CCCCCCCCCCCCCCCc1ccc(Cl)c(Cl)c1 to have a higher MR value.,NC(CCCCCCCCCC(=O)[O-])CCCCCc1ccc(Cl)c(Cl)c1
QED,Please modify the molecule CCN(CC)C(=O)CS(=O)CCCOc1cccc(C)c1 to decrease its QED value.,CCN(C(=O)CS(=O)CCCOc1cccc(C)c1)C(C)c1ccccc1
AtomNum,"The molecule consists of 9 carbon atoms, 1 nitrogen atom, 4 fluorine atoms, and 1 chlorine atom.",CC(C)([NH3+])c1c(F)c(F)c(F)c(Cl)c1F
BondNum,"There is a molecule consisting of 12 single bonds, 4 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",C=CCC1(C(=O)OCC)C(=O)C=CCC1c1ccccc1
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 1 amide group, and 1 halo group.",COc1cc(C=CC(=O)Nc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1C
AddComponent,Modify the molecule CCc1cc(Br)cc2ccc(C(=O)OC)nc12 by adding a carboxyl.,COC(=O)c1ccc2cc(Br)cc(C(C)C(=O)O)c2n1
SubComponent,Modify the molecule COc1ccc2c(C[NH2+]Cc3ccccc3Cl)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 by substituting a halo with a hydroxyl.,COc1ccc2c(C[NH2+]Cc3ccccc3O)c(C(=O)[O-])n(Cc3ccccc3C)c2c1
DelComponent,Modify the molecule nitrile by removing a C[NH+]1CC(=O)N(c2cccc(F)c2)CC12CCN(C(=O)c1cccc(C#N)c1)C2.,C[NH+]1CC(=O)N(c2cccc(F)c2)CC12CCN(C(=O)c1ccccc1)C2
LogP,Optimize the molecule CCOC1CC(C(=O)OCc2ccccc2)c2c(n(C(=O)OC(C)(C)C)c3ccc(Cl)cc23)O1 to have a lower LogP value.,CCOC1CC(C(=O)OCc2ccccc2)c2c(n(C(=O)OC(C)(C)C)c3ccccc23)O1
MR,Modify the molecule Cc1ccc(S(=O)CC(O)(CC(C)(C)c2cc(F)ccc2C)C(F)(F)F)cc1 to increase its MR value.,Cc1ccc(S(=O)CC(O)(CC(C)(CC(=O)O)c2cc(F)ccc2C)C(F)(F)F)cc1
QED,Modify the molecule CC(NC(=O)COc1ccccc1N)c1ccccc1Br to decrease its QED value.,CC(NC(=O)COc1ccccc1N)c1ccccc1O
AtomNum,"The molecule has 26 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC(=O)N2CCCCC2)cc1
BondNum,"The molecule contains 16 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",COc1cc(I)c(C(=O)Nc2ccc(NC3CCCCC3)cc2)cc1OC
FunctionalGroup,The molecule contains and 1 benzene ring group.,CCOC(C[NH3+])COc1ccccc1C(C)(C)C
AddComponent,Modify the molecule CCOC(=O)C(C[NH3+])C(C(=O)OCc1ccccc1)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 by adding a aldehyde.,CCOC(=O)C(C[NH3+])(CC=O)C(C(=O)OCc1ccccc1)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1
SubComponent,Substitute a CC[NH2+]C(C)c1ccc(N2CCCC(COC)C2)cc1Cl in the molecule halo with a aldehyde.,CC(=O)c1cc(N2CCCC(COC)C2)ccc1C(C)[NH2+]CC
DelComponent,Please remove a benzene ring from the molecule CC(C)c1nn(Cc2ccccc2)c2cc(OCCNC(=O)OCc3ccccc3)ccc12.,COC(=O)NCCOc1ccc2c(C(C)C)nn(Cc3ccccc3)c2c1
LogP,Modify the molecule O=C1OC2(c3cc(I)c(O)cc3Oc3cc(O)c(I)cc32)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 to decrease its LogP value.,O=C1OC2(c3ccc(O)cc3Oc3cc(O)c(I)cc32)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
MR,Optimize the molecule CCCn1cccc1C[NH2+]CC1(O)CCOCC1 to have a higher MR value.,CCCn1cccc1C[NH2+]CC1(Br)CCOCC1
QED,Please optimize the molecule Cc1cc(OCc2ccc(C[NH2+]C(C)C)cn2)ccc1F to have a lower QED value.,CC(=O)c1ccc(OCc2ccc(C[NH2+]C(C)C)cn2)cc1C
AtomNum,"The molecule consists of 13 carbon atoms, 1 nitrogen atom, and 2 fluorine atoms.",C=C(C)CC(Cc1ccc(F)cc1F)[NH2+]C
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCNC(=O)C1(C)CCC[NH+]1Cc1cccc(F)c1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, and 1 ester group.",COc1ccc(C(OCC2OC(n3ccc(=O)[nH]c3=O)C(OCO[Si](C(C)C)(C(C)C)C(C)C)C2OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1
AddComponent,Please add a hydroxyl to the molecule Cc1nn(-c2ccccc2)c(C)c1C(=O)NC(C)C(C)CO.,Cc1nn(-c2ccccc2O)c(C)c1C(=O)NC(C)C(C)CO
SubComponent,Modify the molecule halo by substituting a CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1 with a carboxyl.,CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC(=O)Nc1cccc(C(F)(F)C(=O)[OH])c1
DelComponent,Modify the molecule halo by removing a COc1ccccc1-n1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nccs1.,COc1ccccc1-n1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1nccs1
LogP,Optimize the molecule CC=CC[NH2+]CCN(C)CCOC to have a higher LogP value.,CC=C(C[NH2+]CCN(C)CCOC)c1ccccc1
MR,Please modify the molecule CCOC(C#N)=Cc1cc(F)ccc1C#N to increase its MR value.,CC(=O)C(=Cc1cc(F)ccc1C#N)OCC
QED,Please modify the molecule C=C1C([NH2+]C(C)C(=O)NC2=[NH+]CC=N2)CC2C(C)(CO)C(O)CCC2(C)C1CC(Nc1ccccn1)C1=CC(=Cc2ccc3c(c2)ncn3C)OC1=O to increase its QED value.,CC(=O)CC1(C)C(O)CCC2(C)C(CC(Nc3ccccn3)C3=CC(=Cc4ccc5c(c4)ncn5C)OC3=O)C(=C)C([NH2+]C(C)C(=O)NC3=[NH+]CC=N3)CC12
AtomNum,"There is a molecule with 24 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",O=CN1CC(C(=O)Nc2ccc(Cl)cc2)C(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
BondNum,"The molecule has 20 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CN(C(=O)NC1c2ccccc2CC12CCOCC2)C1CCNC1=O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 aldehyde group, and 1 halo group.",O=Cc1cc(F)ccc1Cc1ccncc1
AddComponent,Please add a benzene ring to the molecule COc1ccc(C2CC(c3cccs3)=NN2C(=O)CSc2ccccn2)cc1OC.,COc1ccc(C2CC(c3cccs3)=NN2C(=O)CSc2ccccn2)cc1OCc1ccccc1
SubComponent,Modify the molecule halo by substituting a O=[N+]([O-])c1ccc(NNS(=O)(=O)c2cnc(Cl)c(Br)c2)cc1 with a nitrile.,N#Cc1ncc(S(=O)(=O)NNc2ccc([N+](=O)[O-])cc2)cc1Br
DelComponent,Remove a benzene ring from the molecule CN(C)C(=O)c1cccc(CCNC(=O)C2CC[NH2+]C2)c1.,CN(C)C(=O)CCNC(=O)C1CC[NH2+]C1
LogP,Please optimize the molecule O=C1CC(c2cccc(-c3cccnc3)c2)=Nc2cc(F)c(F)cc2N1 to have a lower LogP value.,O=C1CC(c2cccc(-c3cccnc3)c2)=Nc2cc(C(=O)[OH])c(F)cc2N1
MR,Modify the molecule OC1(C(F)F)CC[NH+](Cc2ccc(Cl)cc2F)CC1 to have a higher MR value.,Fc1cc(Cl)ccc1C[NH+]1CCC(S)(C(F)F)CC1
QED,Please optimize the molecule O=[N+](O)c1cc[n+]([O-])c(CO)c1 to have a lower QED value.,O=CCC(O)c1cc([N+](=O)O)cc[n+]1[O-]
AtomNum,"The molecule consists of 16 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",C[NH+]=C(NCCCOC1CCOCC1)NCCCn1cccn1
BondNum,"The molecule contains 15 single bonds, 2 double bonds, and 1 rotatable bond.",CC(C)(C)COC(=O)N1CCC(=C(F)F)CC1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ester group, 1 amide group, and 3 halo groups.",O=C(OCc1ccccc1)C1CCCN1C(CC(=O)N1C(=O)OCC1Cc1ccccc1)C(F)(F)F
AddComponent,Modify the molecule O=C1C(c2cccs2)=C([NH+]2CCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 by adding a hydroxyl.,O=C1C(c2cccs2)=C([NH+]2CCC(O)C2)C(=O)N1c1ccc(Cl)c(Cl)c1
SubComponent,Substitute a halo in the molecule CCOc1ccc(F)cc1-c1cc(C(=O)OC)nc(N(C)C)n1 with a thiol.,CCOc1ccc(S)cc1-c1cc(C(=O)OC)nc(N(C)C)n1
DelComponent,Please remove a CC=C=C(N(Sc1ccccc1)C(=O)OC(C)(C)C)[Si](C)(C)C from the molecule benzene ring.,CC=C=C(N(S)C(=O)OC(C)(C)C)[Si](C)(C)C
LogP,Please modify the molecule Brc1ccc(C[n+]2csc3ccccc32)cc1 to decrease its LogP value.,c1ccc(C[n+]2csc3ccccc32)cc1
MR,Optimize the molecule COC(=O)c1ccc([O-])c(S(=O)(=O)Cl)c1 to have a lower MR value.,COC(=O)c1ccc([O-])c([SH](=O)=O)c1
QED,Modify the molecule CC1CC1CN(Cc1ccccc1)c1cc(-c2ncc(C(C)(Cc3ccccc3)NC(=O)[O-])o2)cc(N(C)S(C)(=O)=O)n1 to increase its QED value.,CC1CC1CN(Cc1ccccc1)c1cc(-c2ncc(C(C)(C)NC(=O)[O-])o2)cc(N(C)S(C)(=O)=O)n1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",CC(=O)N1CCN(C(C#N)c2ccccc2F)CC1
BondNum,"Please generate a molecule with 49 single bonds, 9 double bonds, and 41 rotatable bonds.",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(COCCC(C(=O)[O-])[N+](C)(C)C)COC(=O)CCCCCCCC=CCCCCCCCCCCC
FunctionalGroup,Please generate a molecule consisting and 2 hydroxyl groups.,CC(C)(C)C1CCC(Oc2ccc3cc(C([NH3+])(CO)CO)ccc3c2)CC1
AddComponent,Modify the molecule OCc1ccc(CC[NH2+]Cc2cnc3ccsc3c2)cc1 by adding a benzene ring.,OCc1ccc(CC[NH2+]Cc2cnc3ccsc3c2)cc1-c1ccccc1
SubComponent,Substitute a CC(=O)Oc1ccccc1OC(C)C(=O)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 in the molecule halo with a carboxyl.,CC(=O)Oc1ccccc1OC(C)C(=O)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)C(=O)[OH])cc32)CC1
DelComponent,Modify the molecule halo by removing a CC(C)(C)C(Cc1nc(-c2ccccc2F)c(Sc2ccc(Cl)nc2)s1)NC(=O)[O-].,CC(C)(C)C(Cc1nc(-c2ccccc2)c(Sc2ccc(Cl)nc2)s1)NC(=O)[O-]
LogP,Please modify the molecule C#CCOc1ccc(N(CCCl)CCCl)cc1 to increase its LogP value.,C#CC(Oc1ccc(N(CCCl)CCCl)cc1)c1ccccc1
MR,Please modify the molecule Cc1cc(C)c2c(c1)sc(=NC(=O)c1ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc1)n2C to increase its MR value.,Cc1cc(C)c2c(c1)sc(=NC(=O)c1ccc([N-]S(=O)(=O)c3ccc(S)cc3)cc1)n2C
QED,Please modify the molecule CCOc1ccc(C=C(C#N)C(=O)c2ccsc2)cc1 to increase its QED value.,CCOc1ccc(C=C(O)C(=O)c2ccsc2)cc1
AtomNum,"There is a molecule consisting of 29 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccccc1C
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCOc1cccnc1NC(=O)C1CCCO1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 thioether group, and 1 sulfide group.",Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NCc2ccco2)c(C)c1
AddComponent,Please add a hydroxyl to the molecule CC1CCC2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)C2C1.,CC1CCC2C(=O)N(N(C(=O)c3ccccc3[N+](=O)[O-])C(O)C(=O)c3ccc(Br)cc3)C(=O)C2C1
SubComponent,Please substitute a halo in the molecule Cc1ccc(F)cc1NC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(Cl)c(C(=O)Nc4ccccc4)c3)CC2)c1C with a thiol.,Cc1ccc(S)cc1NC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(Cl)c(C(=O)Nc4ccccc4)c3)CC2)c1C
DelComponent,Please remove a benzene ring from the molecule Cc1cc(NC(=O)OC(C)(C)C)ccc1OC(C)C.,CC(C)ON(C)C(=O)OC(C)(C)C
LogP,Please modify the molecule C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1C1COc2ccccc2O1 to increase its LogP value.,C=CCn1c(Sc2sc3c(c2C#N)CCC3)nnc1C1COc2ccccc2O1
MR,Modify the molecule CCOCCCC(=O)N(C)CCCCCO to increase its MR value.,CCOCCCC(=O)N(C)C(CCCCO)C(=O)O
QED,Modify the molecule CCCNc1nnc(C[NH+]2CCSC(C)C2)s1 to have a higher QED value.,CCCc1nnc(C[NH+]2CCSC(C)C2)s1
AtomNum,"Please generate a molecule with 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",Nc1cccc(OCc2csc(-c3ccccc3)n2)c1
BondNum,"There is a molecule with 17 single bonds, 2 double bonds, 8 rotatable bonds, and 10 aromatic bonds.",CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnnn1C1CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 1 nitrile group.",CC1C(C(C)(C)O)CCN1c1ccc(C#N)cc1
AddComponent,Add a hydroxyl to the molecule CCOc1ccccc1C(=O)NCCCC(=O)NCc1cccc(C(F)(F)F)c1.,CCOc1ccc(O)cc1C(=O)NCCCC(=O)NCc1cccc(C(F)(F)F)c1
SubComponent,Substitute a halo in the molecule [NH3+]C1CN(S(=O)(=O)c2ccc(Br)cc2Br)C1 with a hydroxyl.,[NH3+]C1CN(S(=O)(=O)c2ccc(O)cc2Br)C1
DelComponent,Modify the molecule benzene ring by removing a NS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1C1N[NH2+][NH2+]N1.,NS(=O)(=O)c1nccc(CO)c1C1N[NH2+][NH2+]N1
LogP,Modify the molecule CC(=O)N(CCNS(=O)(=O)c1ccccc1C)C1CCCCC1 to decrease its LogP value.,CC(=O)N(CCNS(C)(=O)=O)C1CCCCC1
MR,Modify the molecule COC(=O)C1Cc2c([nH]c3ccccc23)C(Cc2ccc(Cl)cc2)(C(F)(F)F)N1 to have a lower MR value.,COC(=O)C1Cc2c([nH]c3ccccc23)C(CCl)(C(F)(F)F)N1
QED,Modify the molecule O=C(NC(C1CC1)C(F)(F)F)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCC(O)(CO)CC3)ccc2c1=O to decrease its QED value.,O=C(NC(C1CC1)C(O)(F)F)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCC(O)(CO)CC3)ccc2c1=O
AtomNum,"There is a molecule with 12 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",[NH3+]CCSC1CC([NH3+])(CC(=O)[O-])C(CC(=O)[O-])CC1O
BondNum,"There is a molecule with 20 single bonds, 4 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C1(C(=O)OCC)C(C(C)=O)C(=O)N1Cc1ccc(OC)cc1OC
FunctionalGroup,"There is a molecule composed of 1 amide group, and 1 sulfide group.",CCCc1ccc(C(=O)Nc2nc(CC)c(C)s2)o1
AddComponent,Modify the molecule COC(=O)c1cnc(NCC(C)c2ccccc2)s1 by adding a nitrile.,COC(=O)c1cnc(NCC(C)c2ccccc2C#N)s1
SubComponent,Substitute a CCSCc1ccc(F)c(C#CCCO)c1 in the molecule halo with a hydroxyl.,CCSCc1ccc(O)c(C#CCCO)c1
DelComponent,Please remove a CC(=NNC(N)=O)c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 from the molecule benzene ring.,CC(=NNC(N)=O)NC(=O)c1c[nH]c2ccccc12
LogP,Please modify the molecule COc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(Cl)cc2)cc1 to decrease its LogP value.,COc1ccc(CN2C(=O)c3oc4ccc(C(=O)[OH])cc4c(=O)c3C2c2ccc(Cl)cc2)cc1
MR,Please optimize the molecule NC(=O)CN1CC[NH+](CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 to have a higher MR value.,NC(=O)CN1CC[NH+](CC(=O)NCC2(c3ccccc3)CCCC(c3ccccc3)C2)CC1
QED,Optimize the molecule Cc1nn(CC(C)C)c(C)c1CC(=O)NC(C)c1ccccc1Cl to have a lower QED value.,Cc1nn(C(c2ccccc2)C(C)C)c(C)c1CC(=O)NC(C)c1ccccc1Cl
AtomNum,"The molecule has 23 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",COc1ccc(Cl)cc1N1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O
BondNum,"The molecule contains 5 single bonds, 3 rotatable bonds, and 23 aromatic bonds.",Cc1nc(Nc2cccc(F)c2)c2ccccc2c1-c1ccncc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[NH+](C)Cc1ccccc1C)C2=O
AddComponent,Please add a hydroxyl to the molecule CCC[NH2+]C(Cc1cc(Br)cs1)C1C[NH+](C(C)C)CCO1.,CC(O)C[NH2+]C(Cc1cc(Br)cs1)C1C[NH+](C(C)C)CCO1
SubComponent,Please substitute a halo in the molecule CC(C)(C)CCOCc1cnc(Cl)cn1 with a carboxyl.,CC(C)(C)CCOCc1cnc(C(=O)[OH])cn1
DelComponent,Please remove a amide from the molecule Nc1nccn2c(C3CCN(C(=O)CSc4ccncc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.,Nc1nccn2c(C3CCC(Sc4ccncc4)C3)nc(-c3cc4ccccc4[nH]3)c12
LogP,Optimize the molecule CCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2OC(C)=O to have a lower LogP value.,CC(=O)OC1CCc2cc(OCCc3nc(-c4ccccc4)oc3C(C)O)ccc21
MR,Please optimize the molecule Cn1ccnc1C(NS(=O)(=O)c1ccccc1Cl)c1ccccc1 to have a lower MR value.,Cn1ccnc1C(c1ccccc1)S(=O)(=O)c1ccccc1Cl
QED,Please modify the molecule CCCCCc1cccc(OC(C)O)c1CCCCC to increase its QED value.,CCCCCc1cccc(OC(C)C(=O)[OH])c1CCCCC
AtomNum,"The molecule contains 17 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCc1cnc(CNc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)s1
BondNum,"There is a molecule consisting of 11 single bonds, 1 double bond, 4 rotatable bonds, and 18 aromatic bonds.",O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, and 4 halo groups.",OCc1c(C2(C(F)F)CC2)ccc(F)c1Cl
AddComponent,Add a amine to the molecule CC(C)OP(=O)(OC(=O)c1ccccc1)C(Cl)(Cl)P(=O)(OC(C)C)OC(C)C.,CC(C)OP(=O)(OC(=O)c1ccccc1N)C(Cl)(Cl)P(=O)(OC(C)C)OC(C)C
SubComponent,Please substitute a halo in the molecule COc1ccc(-n2c(=S)[nH]c3cc(Cl)ccc3c2=O)c(OC)c1 with a aldehyde.,CC(=O)c1ccc2c(=O)n(-c3ccc(OC)cc3OC)c(=S)[nH]c2c1
DelComponent,Please remove a COc1cc2c(cc1OC)C(COc1ccc(F)cc1)N(C(=S)Nc1ccc(I)cc1)CC2 from the molecule amine.,COc1cc2c(cc1OC)C(COc1ccc(F)cc1)N(C(=S)c1ccc(I)cc1)CC2
LogP,Please optimize the molecule COc1cccc(C(CNC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)[NH+](C)C)c1 to have a lower LogP value.,COc1cccc(C(CNC(=O)Nc2ccc(N(C)C)cc2C(F)F)[NH+](C)C)c1
MR,Modify the molecule CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nccs1)OC)N(C)C(=O)C(NC(=O)C1(NC(=O)CCOCCOCCOCCOCCOCCOCNC(=O)OCc2ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCN3C(=O)C=CC3=O)C(C)C)cc2)CCCC1)C(C)C to have a lower MR value.,CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nccs1)OC)N(C)C(=O)C(NC(=O)C1(NC(=O)CCOCCOCCOCCOCCOCCOCNC(=O)OCNC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)CCCC1)C(C)C
QED,Optimize the molecule O=C(NCc1ccco1)C(=O)NN=Cc1cnc2ccccc2n1 to have a lower QED value.,O=C(NN=Cc1cnc2ccccc2n1)C(=O)NC(c1ccccc1)c1ccco1
AtomNum,"The molecule contains 46 carbon atoms, 13 oxygen atoms, and 7 nitrogen atoms.",CCCCC(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1C)NC(=O)C(CCC(=O)[O-])NC(=O)C(CC(=O)[O-])NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)C(N)=O
BondNum,"There is a molecule with 13 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCNc1ncc([N+](=O)[O-])c(N2CCCNC(=O)C2)n1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, and 2 amide groups.",C=CCN(CCCCC)C(=O)C1N(C(C)(C)CO)C(=O)C2C(C(=O)[O-])C3C=CC21O3
AddComponent,Modify the molecule O=c1cc(NCCCC(F)(F)F)[nH]c(C2CC2)n1 by adding a benzene ring.,O=c1cc(NC(CCC(F)(F)F)c2ccccc2)[nH]c(C2CC2)n1
SubComponent,Modify the molecule Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cccc(C(=O)NCc4ccc(F)cc4)c3)CC2)cccc1C(=O)NC1CCCC1 by substituting a halo with a hydroxyl.,Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cccc(C(=O)NCc4ccc(O)cc4)c3)CC2)cccc1C(=O)NC1CCCC1
DelComponent,Please remove a Clc1cc(Cl)cc(Cc2nccc(-c3c[nH]c4ccncc34)n2)c1 from the molecule halo.,Clc1cccc(Cc2nccc(-c3c[nH]c4ccncc34)n2)c1
LogP,Please modify the molecule CCCC(C[NH3+])C(=O)NCCC1CCCO1 to increase its LogP value.,CCC(C[NH3+])CCC1CCCO1
MR,Modify the molecule CCC[NH2+]Cc1cc(-c2cccc(C)c2)ccc1F to increase its MR value.,CCC[NH2+]Cc1cc(-c2cccc(C)c2)ccc1C#N
QED,Modify the molecule COc1cc(CO)ccc1OCC1CO1 to decrease its QED value.,CC(=O)Cc1ccc(OCC2CO2)c(OC)c1
AtomNum,"Please generate a molecule with 23 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",O=C(C[NH+]1CCCOCC1)Nc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(F)(F)F
BondNum,"The molecule contains 15 single bonds, 3 rotatable bonds, and 46 aromatic bonds.",Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc23)c(C)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amide groups, and 1 sulfone group.",CC(NC(=O)c1oc2ccccc2c1CS(C)(=O)=O)c1ccc(NC(=O)C2CC2)cc1
AddComponent,Please add a benzene ring to the molecule CC1CCCC1Nc1cncc(Cl)n1.,CC1CC(c2ccccc2)CC1Nc1cncc(Cl)n1
SubComponent,Substitute a hydroxyl in the molecule CCOC(=O)c1ncc2cccnc2c1O with a thiol.,CCOC(=O)c1ncc2cccnc2c1S
DelComponent,Remove a amine from the molecule C[NH+]=C(NCCc1nc2ccccc2[nH]1)N1CC[NH+](Cc2ccon2)CC1.,CC(NCCc1nc2ccccc2[nH]1)N1CC[NH+](Cc2ccon2)CC1
LogP,Optimize the molecule CC(C)[NH2+]Cc1ccc(C(N)=O)cc1Cl to have a higher LogP value.,CC(C)[NH2+]C(c1ccccc1)c1ccc(C(N)=O)cc1Cl
MR,Modify the molecule Cc1cccc(C(N)=S)c1N1CCOCC1 to increase its MR value.,Cc1ccc(O)c(C(N)=S)c1N1CCOCC1
QED,Modify the molecule CC1(O)CCOC2(CCN(C(=O)CCN3CCCCC3=O)CC2)C1O to increase its QED value.,CC1(C#N)CCOC2(CCN(C(=O)CCN3CCCCC3=O)CC2)C1O
AtomNum,"The molecule consists of 18 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",CCc1cccc(OCC(=O)OCC(=O)Nc2ccc(F)cc2)c1
BondNum,"The molecule is composed of 21 single bonds, 2 double bonds, 15 rotatable bonds, and 16 aromatic bonds.",CCCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C1CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 amide groups.",O=C(Nc1ccccn1)C1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1
AddComponent,Add a hydroxyl to the molecule CCCc1cc(C(=O)NC(C)(C)C2CC2)cc(NN)n1.,CCCc1cc(C(=O)NC(C)(C)C2CC2)c(O)c(NN)n1
SubComponent,Please substitute a halo in the molecule C[NH+]=C(NCCCc1ccc(Cl)cc1Cl)NCC1CC[NH+](C)CC1 with a thiol.,C[NH+]=C(NCCCc1ccc(S)cc1Cl)NCC1CC[NH+](C)CC1
DelComponent,Remove a CN(CCC#N)C(=O)NCC1(C(=O)[O-])CC1 from the molecule nitrile.,CCN(C)C(=O)NCC1(C(=O)[O-])CC1
LogP,Please modify the molecule O=C(c1ccc2nc[nH]c2c1)N1CCCN(C(=O)C(F)(F)F)CC1 to decrease its LogP value.,O=C(c1ccc2nc[nH]c2c1)N1CCCN(C(=O)C(O)(F)F)CC1
MR,Modify the molecule C[Si](C)(CCCOCC(O)C[NH+]1CCOCC1)O[Si](C)(C)O[Si](C)(C)CCCOCC(O)C[NH+]1CCOCC1 to increase its MR value.,C[Si](C)(CCCOCC(O)C[NH+]1CCOCC1)O[Si](C)(C)O[Si](C)(C)CCCOCC(C#N)C[NH+]1CCOCC1
QED,Please modify the molecule O=C([O-])CC1C2CCCC1CSC2 to increase its QED value.,O=C([O-])CC1C2CCCC1C(O)SC2
AtomNum,"The molecule is composed of 17 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",O=C(CC1C=CCC1)NC1CCCN(C(=O)N2CCCC2)C1
BondNum,"Please generate a molecule with 10 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",CCN(C(=O)C1[NH2+]CCc2ccccc21)c1ccccc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, and 3 halo groups.",O=C(Cc1ccc(C(F)(F)F)cc1)NCCC[NH+]1CCN(c2ccccc2)CC1
AddComponent,Modify the molecule O=c1c2ccc(OCC3CC[NH2+]CC3)cc2ncn1CCCc1ccccc1 by adding a carboxyl.,O=C(O)C1(COc2ccc3c(=O)n(CCCc4ccccc4)cnc3c2)CC[NH2+]CC1
SubComponent,Please substitute a COC(=O)CC1COc2ccc(O)cc21 in the molecule hydroxyl with a thiol.,COC(=O)CC1COc2ccc(S)cc21
DelComponent,Remove a amine from the molecule Cc1nn(C)c(Cl)c1COC(=O)c1ccc(N)cc1F.,Cc1nn(C)c(Cl)c1COC(=O)c1ccccc1F
LogP,Please modify the molecule Cc1cc(C)c(C(=O)NCC(C(=O)[O-])C2CCOCC2)o1 to increase its LogP value.,Cc1cc(C)(CC(C(=O)[O-])C2CCOCC2)-o1
MR,Please modify the molecule N#CCCNC(=O)C[NH2+]CC1CCCCC1O to increase its MR value.,N#CCCNC(=O)C[NH2+]CC1CCCCC1C#N
QED,Optimize the molecule CCCN(C)c1cc(N(C)CC[NH3+])nc(C)n1 to have a lower QED value.,CCC(C(=O)O)N(C)c1cc(N(C)CC[NH3+])nc(C)n1
AtomNum,"Please generate a molecule with 14 carbon atoms, 1 nitrogen atom, and 3 chlorine atoms.",CC1CCC(C[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1
BondNum,"Please generate a molecule composed of 16 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1CCCC(Nc2ccc(N3CCCC3)cc2)CC1
FunctionalGroup,Please generate a molecule consisting and 1 nitrile group.,CCc1oc(-c2cc3ccccc3o2)cc1C#N
AddComponent,Please add a hydroxyl to the molecule CCC(C)CC(=O)N(NC(=O)C[NH+]1CCCC1)C(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c1ccc2ccccc2c1.,CCC(C)CC(=O)N(NC(=O)C[NH+]1CCCC1)C(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c1ccc2ccccc2c1O
SubComponent,Please substitute a halo in the molecule Cc1scnc1-c1cc2cnc(Nc3ccc(N4CC[NH2+]CC4)c(F)c3)nc2n(Cc2nccn2S(=O)(=O)c2nccs2)c1=O with a aldehyde.,CC(=O)c1cc(Nc2ncc3cc(-c4ncsc4C)c(=O)n(Cc4nccn4S(=O)(=O)c4nccs4)c3n2)ccc1N1CC[NH2+]CC1
DelComponent,Please remove a benzene ring from the molecule Cc1cccc(CNC(=O)c2n[nH]c3c2CN(C(=O)c2ccccc2F)CC3)c1.,CCNC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2
LogP,Modify the molecule O=S(=O)([O-])OCC1OC(c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)C(O)C(O)C1O to have a higher LogP value.,ONc1cc(O)c2c(c1C1OC(COS(=O)(=O)[O-])C(O)C(O)C1O)OC(c1ccc(O)c(O)c1)C(O)C2
MR,Please modify the molecule COc1cc(-c2ccc(Br)nn2)ccc1OCC(C)C to decrease its MR value.,COc1cc(-c2ccc(S)nn2)ccc1OCC(C)C
QED,Please optimize the molecule Cn1c2c(c3cccc(C(O)c4ccccc4)c31)CCC2 to have a higher QED value.,Cn1c2c(c3cccc(C(C(=O)[OH])c4ccccc4)c31)CCC2
AtomNum,"There is a molecule composed of 7 carbon atoms, 3 nitrogen atoms, 3 fluorine atoms, and 1 boron atom.",CCCCc1cn(C[B-](F)(F)F)nn1
BondNum,"The molecule is composed of 8 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",Nc1cc(CC([NH3+])CSc2ccc(F)cc2)ccn1
FunctionalGroup,Please generate a molecule with and 1 halo group.,Cc1ccc2c(C)c(Br)n(C3CC3)c2c1
AddComponent,Modify the molecule Clc1ccc(Oc2ccc(CC=CCC[NH+]3CCOCC3)cc2)cc1 by adding a hydroxyl.,OC1COCC[NH+]1CCC=CCc1ccc(Oc2ccc(Cl)cc2)cc1
SubComponent,Modify the molecule CC=CC(c1ccc(Br)cc1)N(C)Oc1ccc2c(c1)CCN=C2 by substituting a halo with a aldehyde.,CC(=O)c1ccc(C(C=CC)N(C)Oc2ccc3c(c2)CCN=C3)cc1
DelComponent,Please remove a benzene ring from the molecule CC(O)c1cccc(SCc2cn3ccsc3[nH+]2)c1.,CC(O)SCc1cn2ccsc2[nH+]1
LogP,Optimize the molecule CN(C)c1cc[n+](CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 to have a lower LogP value.,CC(=O)c1ccc2c(c1)N(C(=O)C[n+]1ccc(N(C)C)cc1)c1ccccc1S2
MR,Modify the molecule COc1cc(-c2cc(C(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)c3ccccc3n2)cc(OC)c1OC to increase its MR value.,COc1cc(-c2cc(C(=O)Nc3ncc(S(=O)(=O)c4ccc(I=O)cc4)s3)c3ccccc3n2)cc(OC)c1OC
QED,Modify the molecule CC(C)(C)OC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CBr to decrease its QED value.,CC(C)(C)OC(=O)NC(Cc1cc(F)cc(F)c1)C(Br)CBr
AtomNum,"The molecule has 29 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",CSc1ccc(C2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4cccn4-c4ccc(Br)cc4)c(=O)n32)cc1
BondNum,"Please generate a molecule composed of 12 single bonds, 5 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1=O
FunctionalGroup,The molecule consists of and 1 amide group.,Cc1ccn2ncc(C(=O)N3CCC(N4CC[NH2+]CC4)C3)c2n1
AddComponent,Add a hydroxyl to the molecule COC(=O)CCCCCCCNC(=O)C[NH3+].,COC(=O)CCC(O)CCCCNC(=O)C[NH3+]
SubComponent,Modify the molecule COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)C2c2cc(Cl)c(OC)c(OC)c2)cc1 by substituting a hydroxyl with a halo.,COc1ccc(C2=C(Cl)C(=O)N(c3cccc(C#N)c3)C2c2cc(Cl)c(OC)c(OC)c2)cc1
DelComponent,Modify the molecule CCOc1nc2c(NCCO)ccc(N)c2s1 by removing a amine.,CCOc1nc2c(NCCO)cccc2s1
LogP,Please optimize the molecule C[NH+]=C(NCCS(=O)(=O)NCC1CCC1)NCc1ccc(Cl)cc1Cl to have a lower LogP value.,C[NH+]=C(NCCS(=O)(=O)NCC1CCC1)NCc1ccc(C#N)cc1Cl
MR,Optimize the molecule CCCC(OC)c1cc2c(=O)n(CS(N)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F to have a higher MR value.,CCCC(OC)c1cc2c(=O)n(CS(N)(=O)=O)c(=O)[nH]c2cc1C(F)(F)NO
QED,Modify the molecule Cc1ncsc1CCC(=O)N1CCC(CCC(=O)NCc2cccc(Cl)c2)CC1 to have a higher QED value.,Cc1ncsc1CCC(=O)N1CCC(CCC(=O)NCc2cccc(C#N)c2)CC1
AtomNum,"There is a molecule composed of 24 carbon atoms, and 4 chlorine atoms.",Clc1cccc([Sn](c2cccc(Cl)c2)(c2cccc(Cl)c2)c2cccc(Cl)c2)c1
BondNum,"Please generate a molecule with 13 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CN(C(=O)NCC1CCOC1)c1ccccc1C(=O)[O-]
FunctionalGroup,"Please generate a molecule composed of 2 thioether groups, and 1 sulfide group.",CC1(C)SC2(CCCCCCCCCCC2)[NH2+]C1C(=O)[O-]
AddComponent,Modify the molecule O=C(NC1CCN(C(=O)Nc2ccc(F)cn2)CC1)c1ccc(F)cc1F by adding a hydroxyl.,O=C(NC1CCN(C(=O)Nc2cc(O)c(F)cn2)CC1)c1ccc(F)cc1F
SubComponent,Modify the molecule halo by substituting a CC1(C)CCCC1C([NH3+])Cc1cncc(Br)c1 with a carboxyl.,CC1(C)CCCC1C([NH3+])Cc1cncc(C(=O)[OH])c1
DelComponent,Modify the molecule CCCC1[NH2+]C(CC)N(C2CC(OC)C2(C)C)C1=O by removing a amide.,CCC[NH2+]C(CC)C1CC(OC)C1(C)C
LogP,Modify the molecule Oc1ccc(CNc2cccc(F)c2F)cc1Br to have a higher LogP value.,CC(=O)c1cccc(NCc2ccc(O)c(Br)c2)c1F
MR,Modify the molecule CN(C)OOSc1cc(F)ccc1CN1Cc2c(c([O-])c3ncccc3c2N(C)S(C)(=O)=O)C1=O to have a higher MR value.,CN(C)OOSc1cc(NO)ccc1CN1Cc2c(c([O-])c3ncccc3c2N(C)S(C)(=O)=O)C1=O
QED,Please modify the molecule CCCCCCCC(C)Nc1ccc2c(c1)CCC(=O)N2 to decrease its QED value.,CC(O)CCCCCC(C)Nc1ccc2c(c1)CCC(=O)N2
AtomNum,"Please generate a molecule consisting 6 carbon atoms, 3 oxygen atoms, 3 sulfur atoms, and 1 phosphorus atom.",O=P([O-])([O-])SSSc1ccccc1
BondNum,"The molecule has 18 single bonds, 4 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(S(=O)(=O)NC(C(N=C(c2ccccc2)c2ccccc2)C(=O)OC(C)(C)C)C(C)(C)Cl)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfone group.",Cc1ncoc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
AddComponent,Modify the molecule CCC(C)C(=O)OC1CC(C)=CC2=CC(=O)C(C)C(CCC3CC(O)C(=O)C(=O)O3)C21 by adding a benzene ring.,CC1=CC2=CC(=O)C(C)C(CCC3CC(O)C(=O)C(=O)O3)C2C(OC(=O)C(C)CCc2ccccc2)C1
SubComponent,Substitute a OCc1cc(F)cnc1OCC=Cc1ccccc1 in the molecule hydroxyl with a nitrile.,N#CCc1cc(F)cnc1OCC=Cc1ccccc1
DelComponent,Modify the molecule halo by removing a CC(C)n1cc(CCC(=O)[O-])c2cc(F)ccc21.,CC(C)n1cc(CCC(=O)[O-])c2ccccc21
LogP,Modify the molecule CS(=O)(=O)CCC(=O)NC1CCC(CC[NH+]2CCN(c3noc4c3CC(F)(Cl)C=C4)CC2)CC1 to have a lower LogP value.,CS(=O)(=O)CCC(=O)NC1CCC(CC[NH+]2CCN(c3noc4c3CC(O)(Cl)C=C4)CC2)CC1
MR,Please modify the molecule CC1CCC(CNC(=O)CC2CCC(=O)NC2)CC1 to increase its MR value.,CC1(CC=O)CCC(CNC(=O)CC2CCC(=O)NC2)CC1
QED,Please optimize the molecule CC(=O)Nc1ccc(Nc2ncnc(N3CCN(c4ccccn4)CC3)c2[N+](=O)[O-])cc1 to have a lower QED value.,CC(=O)Nc1ccc(Nc2ncnc(N3CCN(c4ccccn4)CC3)c2[N+](=O)[O-])cc1O
AtomNum,"The molecule is composed of 60 carbon atoms, and 5 nitrogen atoms.",CC=Cc1c(C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3cccc(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c3)C(C)(C)c3ccccc3-5)cc12
BondNum,"The molecule has 17 single bonds, and 2 rotatable bonds.",CCC1(C)CCN(C2C[NH2+]CCC2C)CC1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 halo group.",CCOCc1nc(Cc2ccccc2Cl)n(C2CC[NH+](C)CC2)n1
AddComponent,Modify the molecule c1ccc2c(-n3c4ccccc4c4cc(-c5cc(-c6ccc(N(c7ccc8c(c7)oc7ccccc78)c7ccc8c(c7)oc7ccccc78)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)c5)ccc43)cccc2c1 by adding a aldehyde.,O=CCc1cccc2c(-n3c4ccccc4c4cc(-c5cc(-c6ccc(N(c7ccc8c(c7)oc7ccccc78)c7ccc8c(c7)oc7ccccc78)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)c5)ccc43)cccc12
SubComponent,Modify the molecule halo by substituting a Cc1ccc(C)n1-c1nc(CC(=O)N2CCC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cs1 with a nitro.,Cc1ccc(C)n1-c1nc(CC(=O)N2CCC[NH+](Cc3ccc(C(F)(F)NO)cc3)CC2)cs1
DelComponent,Modify the molecule benzene ring by removing a C#Cc1ccc(NC(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cc1.,C#CNC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1
LogP,Optimize the molecule COc1cc(C2c3cc4c(cc3C(NC(=S)Nc3ccccc3C(F)(F)F)C3COC(=O)C23)OCO4)cc(OC)c1OC to have a lower LogP value.,COc1cc(C2c3cc4c(cc3C(NC(=S)c3ccccc3C(F)(F)F)C3COC(=O)C23)OCO4)cc(OC)c1OC
MR,Optimize the molecule CC(C)C(CCO)Nc1nc(N)nc2sccc12 to have a higher MR value.,CC(C)(O)C(CCO)Nc1nc(N)nc2sccc12
QED,Modify the molecule CC(O)Cc1c(Br)ccc(Cl)c1F to have a higher QED value.,CC(O)Cc1cc(Cl)ccc1Br
AtomNum,"Please generate a molecule with 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CN(C)C(=O)OC(c1cccs1)c1cnccc1Cl
BondNum,"Please generate a molecule with 20 single bonds, 3 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCOCC3)C2c2ccccc2Br)s1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 1 halo group.",Cc1ccccc1CCC(=O)NC1(CCl)CCCC1
AddComponent,Add a benzene ring to the molecule COC(=O)Cc1csc(NC2CCC(SC)CC2)n1.,COC(=O)Cc1csc(NC2CCC(SC)CC2c2ccccc2)n1
SubComponent,Please substitute a COc1c(C=NNC(=O)c2ccc3cc(Br)ccc3c2)cc(Br)c([O-])c1Br in the molecule halo with a hydroxyl.,COc1c(C=NNC(=O)c2ccc3cc(O)ccc3c2)cc(Br)c([O-])c1Br
DelComponent,Please remove a O=C(C1CC1)N1CCCC(C[NH2+]Cc2ccccc2OCc2c(F)cccc2Cl)C1 from the molecule amide.,CCC1CCCC1C[NH2+]Cc1ccccc1OCc1c(F)cccc1Cl
LogP,Please modify the molecule NS(=O)(=O)CCNCc1ccn(-c2ccccc2)n1 to increase its LogP value.,NS(=O)(=O)CCNCc1ccn(-c2ccccc2-c2ccccc2)n1
MR,Modify the molecule C=C(C)C(=O)OCCC[Si]C(Cl)Cl to decrease its MR value.,C=C(C)C(=O)OCCC[Si]C(Cl)C#N
QED,Modify the molecule N#Cc1c(NC(=O)C=Cc2ccccc2O)sc2c1CCN(C(=O)[O-])C2 to have a lower QED value.,N#Cc1c(NC(=O)C=CO)sc2c1CCN(C(=O)[O-])C2
AtomNum,"There is a molecule consisting of 9 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CC(C)CNC(=O)c1cc(N)cs1
BondNum,"There is a molecule with 8 single bonds, 6 rotatable bonds, and 21 aromatic bonds.",FCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2ncnc12
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, and 4 halo groups.",N=C(c1n[nH]c(C(F)(F)F)n1)c1c[nH+]ccc1NCc1ccccc1F
AddComponent,Add a benzene ring to the molecule Cc1nn(-c2ccccc2)nc1C(=O)NCc1nc2ccccc2[nH]1.,Cc1nn(-c2ccccc2)nc1C(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1
SubComponent,Please substitute a CSCCN(C)S(=O)(=O)c1ccc(N)c(Br)c1 in the molecule halo with a nitro.,CSCCN(C)S(=O)(=O)c1ccc(N)c(NO)c1
DelComponent,Modify the molecule amide by removing a [NH3+]C(Cc1ccccc1)C(O)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)[O-].,[NH3+]C(Cc1ccccc1)OC(Cc1ccc2ccccc2c1)C(=O)[O-]
LogP,Please modify the molecule O=C([O-])OC1CCCN2C(=O)CC(N3C(=O)c4ccccc4C3=O)C(=O)N12 to increase its LogP value.,O=C([O-])OC1(N2C(=O)c3ccccc3C2=O)CCCN2C(=O)C21
MR,Modify the molecule CC12C[NH+](CCCCCCO)CC(C)(O1)c1c2c(O)n(-c2ccc(C#N)c(C(F)(F)F)c2)c1O to have a lower MR value.,CC12C[NH+](CCCCCCO)CC(C)(O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O
QED,Please optimize the molecule CC(=O)NC(COc1ccc(Br)cc1F)C(=O)[O-] to have a lower QED value.,CC(=O)NC(COc1ccc(Br)cc1)C(=O)[O-]
AtomNum,"There is a molecule with 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCC[NH2+]C(SC)=C(C#N)C(=O)c1ccc(Cl)cc1
BondNum,"There is a molecule with 14 single bonds, 2 double bonds, 10 rotatable bonds, and 5 aromatic bonds.",CCC(CC)c1cc(C(=O)NCCCCCC(=O)[O-])on1
FunctionalGroup,"The molecule has 1 ketone group, 1 amide group, 1 halo group, and 1 sulfone group.",C=CC1CC1(CC(=O)C1CC(Oc2nccc3ccc(F)cc23)CN1C(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1CC1
AddComponent,Modify the molecule COc1cc(Br)cnc1C=O by adding a benzene ring.,O=Cc1ncc(Br)cc1OCc1ccccc1
SubComponent,Please substitute a halo in the molecule Nc1c(F)cccc1NCCn1ccnc1 with a nitrile.,N#Cc1cccc(NCCn2ccnc2)c1N
DelComponent,Remove a halo from the molecule CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6nccn6)(c6ccc(Cl)cc6Cl)O5)cc4C)CC3)cc2)c1=O.,CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6nccn6)(c6ccccc6Cl)O5)cc4C)CC3)cc2)c1=O
LogP,Modify the molecule COC(=O)CCCc1ccc(Oc2cccc(OC)c2)cc1C(=O)NC(C)c1cccc2ccccc12 to decrease its LogP value.,COC(=O)CCCc1ccc(Oc2cc(OC)ccc2O)cc1C(=O)NC(C)c1cccc2ccccc12
MR,Modify the molecule COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(CC#N)cc1)C(C)=O to have a lower MR value.,COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)Oc1ccc(CC#N)cc1)C(C)=O
QED,Modify the molecule CC1(C)Cc2cc(C(O)c3csc(I)c3)ccc2O1 to decrease its QED value.,CC1(C)Cc2cc(C(Br)c3csc(I)c3)ccc2O1
AtomNum,"Please generate a molecule with 29 carbon atoms, and 6 oxygen atoms.",O=C(Oc1ccc(OCCCOC2CCCCO2)cc1)C1CC2CC1CC2OCc1ccccc1
BondNum,"The molecule has 6 single bonds, 2 double bonds, 6 rotatable bonds, and 29 aromatic bonds.",[Fe]=P(c1ccccc1)(c1ccccc1)c1ccc(P(=[Fe])(c2ccccc2)c2ccccc2)o1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, 1 amine group, and 1 sulfone group.",CCCCC(NS(=O)(=O)c1cccc(C)c1)C(=O)OCC
AddComponent,Add a carboxyl to the molecule CC12CNCCC[NH+]1CCCN2.,CC12CNC(C(=O)O)CC[NH+]1CCCN2
SubComponent,Substitute a [NH3+]CC1CC(c2cccc(C(F)(F)F)c2)=NO1 in the molecule halo with a carboxyl.,[NH3+]CC1CC(c2cccc(C(F)(F)C(=O)[OH])c2)=NO1
DelComponent,Please remove a CC(O)(Cc1cccc(F)c1)c1ccsc1-c1cccs1 from the molecule halo.,CC(O)(Cc1ccccc1)c1ccsc1-c1cccs1
LogP,Modify the molecule CCC(NC(=O)Oc1cc(C(=O)N2CCCC2C)n2c1COCC2)c1ccc(C(F)(F)F)s1 to have a lower LogP value.,CCC(NC(=O)Oc1cc(C(=O)N2CCCC2C)n2c1COCC2)c1ccc(C(O)(F)F)s1
MR,Please optimize the molecule COc1cc(C)cc(Cn2cc(CNC(=O)c3cccnc3Nc3cccc(F)c3)nn2)c1 to have a higher MR value.,CC(=O)c1cccc(Nc2ncccc2C(=O)NCc2cn(Cc3cc(C)cc(OC)c3)nn2)c1
QED,Modify the molecule CC(=O)c1c[nH]c(=O)n(Cc2cccc(Cl)c2)c1=O to decrease its QED value.,CC(=O)c1c[nH]c(=O)n(Cc2cccc(C(=O)[OH])c2)c1=O
AtomNum,"There is a molecule consisting of 18 carbon atoms, 1 oxygen atom, and 2 bromine atoms.",BrCC(CC1CCC2(CCCCC2)O1)c1ccccc1Br
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 2 rotatable bonds, and 15 aromatic bonds.",Cn1ccnc1C(=O)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amine groups, 1 halo group, 1 sulfide group, and 1 sulfone group.",Nc1ccc(F)c(S(=O)(=O)NCc2csc(=O)[nH]2)c1
AddComponent,Modify the molecule COc1ccc(N(C)C(=O)c2cc(C)on2)cn1 by adding a hydroxyl.,COc1ccc(N(C)C(=O)c2noc(C)c2O)cn1
SubComponent,Substitute a Cc1cc(C)cc(C(Br)Cc2ccc(F)cc2)c1 in the molecule halo with a thiol.,Cc1cc(C)cc(C(S)Cc2ccc(F)cc2)c1
DelComponent,Remove a COc1ccc(Cc2ccc(O)c(C)c2O)cc1 from the molecule benzene ring.,COCc1ccc(O)c(C)c1O
LogP,Modify the molecule C=Cn1cc(CNc2cc(C(N)=O)ccc2F)cn1 to decrease its LogP value.,C=Cn1cc(CNc2cc(C(N)=O)ccc2C#N)cn1
MR,Please optimize the molecule N#CCCCc1c(O)ccc2c1OCO2 to have a lower MR value.,N#CCCCc1cccc2c1OCO2
QED,Modify the molecule CCC(C)C[NH+](CC)C1CC(C)CCC1O to increase its QED value.,CCC(C)C[NH+](CC)C1CC(C)CCC1F
AtomNum,"Please generate a molecule with 28 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCC(C)c1ccc(N=Cc2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1
BondNum,"There is a molecule consisting of 9 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C[NH2+]Cc1ccccc1O)N(C)C
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 1 sulfide group, and 1 sulfone group.",Cc1cccc2sc(N3CC[NH+](CCNC(=O)c4ccc(S(=O)(=O)N(C)c5ccccc5)cc4)CC3)nc12
AddComponent,Please add a benzene ring to the molecule COc1ccccc1OCC(=O)NC1CC[NH+](CC(N)=O)CC1.,COc1c(OCC(=O)NC2CC[NH+](CC(N)=O)CC2)cccc1-c1ccccc1
SubComponent,Please substitute a halo in the molecule O=C(NC1CCN(C(=O)NCc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 with a aldehyde.,CC(=O)c1ccc(CNC(=O)N2CCC(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1
DelComponent,Please remove a halo from the molecule O=C(COC(=O)c1ccccc1SCc1ccccc1F)NC(=O)NC1CC1.,O=C(COC(=O)c1ccccc1SCc1ccccc1)NC(=O)NC1CC1
LogP,Modify the molecule CC(O)N(S(C)(=O)=O)S(C)(=O)=O to have a higher LogP value.,CCN(S(C)(=O)=O)S(C)(=O)=O
MR,Please optimize the molecule CCc1ccsc1CNc1cnn(CCOC)c(=O)c1Br to have a lower MR value.,CCc1ccsc1CNc1cnn(CCOC)c(=O)c1S
QED,Please optimize the molecule COC(=O)C1(O)CC(C)(C)[NH+](CCO)C2(CCCCC2)C1 to have a higher QED value.,CC[NH+]1C(C)(C)CC(O)(C(=O)OC)CC12CCCCC2
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",CCCC1CC(C(=O)NCc2ccc(OC(F)(F)F)cc2)NN1
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",CCNc1ccc(C(=O)N(C)Cc2ccsc2)c(C)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amide groups, and 1 sulfide group.",Cc1csc(-c2cccc(C(=O)N3CCN(C(=O)CC[NH+](C)C)CC3)c2)n1
AddComponent,Please add a amine to the molecule CC[NH+](CC(=O)[O-])C1CC(NC(=O)NCc2cccc(OC(C)(C)C)n2)C1.,CC[NH+](CC(=O)[O-])C1CC(NC(=O)NCc2ccc(N)c(OC(C)(C)C)n2)C1
SubComponent,Substitute a hydroxyl in the molecule COCC(C)(O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 with a nitrile.,COCC(C)(C#N)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1
DelComponent,Remove a amide from the molecule CC[NH+]1CCOCC1C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C.,CC[NH+]1CCOCC1c1ccc2c(c1)nc(C1CC1)n2C
LogP,Modify the molecule CCN(CC)[Si]C=CC(C)C to decrease its LogP value.,CCN([Si]C=CC(C)C)C(C)CC=O
MR,Optimize the molecule CCN1CC[NH+](Cc2ccccc2CNC(=O)NC2C3CC4CC(C3)CC2C4)CC1 to have a lower MR value.,CCN1CC[NH+](CCNC(=O)NC2C3CC4CC(C3)CC2C4)CC1
QED,Optimize the molecule COc1ccc(F)cc1CCNS(=O)(=O)Cc1ccc(C)cc1 to have a lower QED value.,COc1ccc(F)cc1CCNS(=O)(=O)Cc1ccc(C)c(O)c1
AtomNum,"The molecule consists of 15 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",OCC1CCC[NH+]1Cc1ccc2c(c1)CCC2
BondNum,"There is a molecule consisting of 29 single bonds, 2 double bonds, and 9 rotatable bonds.",C=C(C)C(=O)OC(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 2 amine groups, and 1 halo group.",CC1CCCC1Nc1c(Cl)cc(N)cc1C(N)=O
AddComponent,Modify the molecule C#CCCSc1ccc(F)cc1N by adding a benzene ring.,C#CCCSc1c(N)cc(F)cc1-c1ccccc1
SubComponent,Please substitute a halo in the molecule FC(F)(F)c1ccnc(Nc2ccc3c(c2)OCCCO3)n1 with a nitrile.,N#CC(F)(F)c1ccnc(Nc2ccc3c(c2)OCCCO3)n1
DelComponent,Modify the molecule hydroxyl by removing a C[NH2+]CC1CCCCN1CCOCCO.,CCOCCN1CCCCC1C[NH2+]C
LogP,Please optimize the molecule C[NH+]1CCC(C(Cl)C(=O)[O-])CC1 to have a lower LogP value.,C[NH+]1CCC(CC(=O)[O-])CC1
MR,Optimize the molecule COc1ccc2c(-c3cccc(I)c3)noc2c1OC to have a lower MR value.,COc1ccc2c(-c3cccc(NO)c3)noc2c1OC
QED,Please modify the molecule Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccc(COc5ccc([N+](=O)[O-])cc5Cl)o4)c23)s1 to decrease its QED value.,CC(=O)C(F)c1cc(-c2ccc(C)s2)c2c(NC(=O)c3ccc(COc4ccc([N+](=O)[O-])cc4Cl)o3)c(C(N)=O)sc2n1
AtomNum,"The molecule is composed of 12 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COc1cc(CC(O)C2CC2)ccc1[N+](=O)[O-]
BondNum,"There is a molecule consisting of 15 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1([NH+]2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)CC1
FunctionalGroup,"Please generate a molecule composed of 3 amide groups, and 1 sulfide group.",CCC1NC(=O)C2CC(NC(=O)c3cccs3)CN2C1=O
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(Oc2ccccc2NC(=O)COC(=O)C2CCCN2S(C)(=O)=O)cc1.,Cc1ccc(Oc2ccccc2NC(=O)COC(=O)C2CC(O)CN2S(C)(=O)=O)cc1
SubComponent,Modify the molecule hydroxyl by substituting a C=C(C)C(=C)CC(O)C1=CCCC(=O)C1(C)C with a thiol.,C=C(C)C(=C)CC(S)C1=CCCC(=O)C1(C)C
DelComponent,Modify the molecule amide by removing a CCOc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1S(=O)(=O)N1CCCC1.,CCOc1ccc(NC(=O)OCc2ccccc2)cc1S(=O)(=O)N1CCCC1
LogP,Modify the molecule C[NH+](C)CCNc1cncc(C(=O)N2CCCCCC2)c1 to increase its LogP value.,C[NH+](C)CCc1cncc(C(=O)N2CCCCCC2)c1
MR,Optimize the molecule Cc1ccc(-c2nccc(C[NH2+]CC(C)C)n2)cc1Br to have a higher MR value.,Cc1ccc(-c2nccc(C[NH2+]CC(C)C)n2)c(O)c1Br
QED,Optimize the molecule NNc1cc(N)ccc1[N+](=O)[O-] to have a lower QED value.,NNN[N+](=O)[O-]
AtomNum,"The molecule contains 29 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",Cc1ccccc1-n1c(SCc2nc(C(=O)NCCC[NH+]3CCCCC3C)cs2)nnc1-c1ccccc1Cl
BondNum,"The molecule is composed of 13 single bonds, 2 double bonds, 10 rotatable bonds, and 28 aromatic bonds.",COC(=O)c1cncc(OCCOc2ccc(-n3cnc4cc(C(=O)NCc5cccnc5)ccc43)cc2)c1
FunctionalGroup,"The molecule contains 1 hydroxyl group, and 1 amine group.",OCCn1cc(NCC2CCOCC2)cn1
AddComponent,Please add a amine to the molecule CCOC1CCC[NH+](CC(=O)NCCCOC)C1.,CCOC1CCC[NH+](CC(=O)NCCC(N)OC)C1
SubComponent,Substitute a hydroxyl in the molecule COc1ncc(-c2ccccc2)c2sc(NC(=O)c3ccc(C(=O)N(C)CCO)cc3)nc12 with a nitro.,COc1ncc(-c2ccccc2)c2sc(NC(=O)c3ccc(C(=O)N(C)CCNO)cc3)nc12
DelComponent,Please remove a halo from the molecule Cc1cccc(N2CCN(C(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)CC2)c1C.,Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)n1
LogP,Please modify the molecule Cn1c(C(F)(F)F)nc2cc(NC(=O)c3noc4c3CC(C(C)(C)C)CC4)ccc21 to decrease its LogP value.,Cn1c(C(O)(F)F)nc2cc(NC(=O)c3noc4c3CC(C(C)(C)C)CC4)ccc21
MR,Modify the molecule CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)NCCOc1ccccc1F to have a higher MR value.,CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)NCCOc1ccccc1NO
QED,Modify the molecule Cc1nc2cc(C3CCC[NH+]3CC3CC=CCC3)[nH]n2c(=O)c1CCC(=O)NC1CC1 to increase its QED value.,Cc1nc2cc(C3CCC[NH+]3CC3CC=CCC3)[nH]n2c(=O)c1CC1CC1
AtomNum,"The molecule consists of 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",Cc1ccc(C([NH3+])CCc2ccco2)cc1Cl
BondNum,"There is a molecule with 9 single bonds, 3 double bonds, and 6 rotatable bonds.",O=C(O)CCC(N[P+](=O)O)C(=O)O
FunctionalGroup,"The molecule contains 1 amide group, and 1 halo group.",Cc1c(CNC(=O)c2ccc(Br)cn2)cnn1C
AddComponent,Modify the molecule CCCCCNC(=O)C1CCCN(c2nccnc2Sc2ccccc2)C1 by adding a hydroxyl.,CCCCCNC(=O)C1CCCN(c2nccnc2Sc2ccc(O)cc2)C1
SubComponent,Modify the molecule CCc1ccccc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3ccc(C)cc3F)ccc2C)CC1 by substituting a halo with a thiol.,CCc1ccccc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3ccc(C)cc3S)ccc2C)CC1
DelComponent,Modify the molecule Fc1ccc(-c2csc3ncnc(NCc4coc(-c5cccs5)n4)c23)cc1 by removing a halo.,c1ccc(-c2csc3ncnc(NCc4coc(-c5cccs5)n4)c23)cc1
LogP,Modify the molecule CCn1ccnc1C[NH+](C)Cc1cccc2nonc12 to have a lower LogP value.,CCn1cc(O)nc1C[NH+](C)Cc1cccc2nonc12
MR,Optimize the molecule CN1C(=CC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(F)(F)F)C(C)(C)c2ccccc21 to have a lower MR value.,CN1C(=CC(=O)C[NH+](C)CC(=O)NC(F)(F)F)C(C)(C)c2ccccc21
QED,Optimize the molecule CC(C)CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C to have a higher QED value.,CC(C)CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(c1ccccc1)C(C)C
AtomNum,"The molecule is composed of 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",COc1cc(Cl)cc(C2(C)CCC[NH2+]2)c1OC1CCC1
BondNum,"Please generate a molecule with 7 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccco1
FunctionalGroup,There is a molecule with and 1 sulfide group.,C[NH2+]CC1CCC1c1ccns1
AddComponent,Add a benzene ring to the molecule Cc1cc(N2CCCC([NH+]3CCN(Cc4ncnn4C)CC3)C2=O)n(C)n1.,Cc1nn(C)c(N2CCCC([NH+]3CCN(Cc4ncnn4C)CC3)C2=O)c1-c1ccccc1
SubComponent,Substitute a CC(C)(C)OCC(=O)NCc1ccc(C[NH3+])cc1F in the molecule halo with a hydroxyl.,CC(C)(C)OCC(=O)NCc1ccc(C[NH3+])cc1O
DelComponent,Please remove a OCCCCC[NH2+]Cc1ccc(Cl)s1 from the molecule hydroxyl.,CCCCC[NH2+]Cc1ccc(Cl)s1
LogP,Modify the molecule Cc1ccc2cccc(O[Al]Cl)c2n1 to decrease its LogP value.,CC(=O)[Al]Oc1cccc2ccc(C)nc12
MR,Modify the molecule CC(OC(=O)CCCNC(=O)c1ccsc1)C(=O)N1CCN(c2ncccn2)CC1 to have a higher MR value.,CC(OC(=O)CC(O)CNC(=O)c1ccsc1)C(=O)N1CCN(c2ncccn2)CC1
QED,Modify the molecule O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccc(F)cc1 to have a lower QED value.,O=C(CSc1nc2cccc(O)c2c(=O)n1Cc1ccco1)NCc1ccc(F)cc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",C[NH2+]C(CC1CCOC1)c1ccccc1OC(F)(F)F
BondNum,"There is a molecule with 11 single bonds, 2 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",CC(COc1ccccc1)OCC(C)OS(=O)(=O)[O-]
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 2 amide groups, 2 halo groups, 1 thioether group, and 1 sulfide group.",CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3Cl)n2-c2cccc(C)c2)cc1
AddComponent,Add a thiol to the molecule CC(C)(C)N1CCC(=O)N(c2cccc(C#N)c2)C1=O.,CC(C)(C)N1CC(S)C(=O)N(c2cccc(C#N)c2)C1=O
SubComponent,Please substitute a hydroxyl in the molecule Cc1c(CN2OC(C[NH3+])C(C(C)O)C2C(=O)NC2CC3CC(C2C)C3(C)C)cccc1-c1cc(C(=O)NC(Cc2ccccc2)C[NH+](C)C)cc(N(C)C)c1 with a carboxyl.,Cc1c(CN2OC(C[NH3+])C(C(C)C(=O)[OH])C2C(=O)NC2CC3CC(C2C)C3(C)C)cccc1-c1cc(C(=O)NC(Cc2ccccc2)C[NH+](C)C)cc(N(C)C)c1
DelComponent,Please remove a CNc1cccc(C(N)=O)c1I from the molecule halo.,CNc1cccc(C(N)=O)c1
LogP,Optimize the molecule CCCn1c(=O)n(C2CC[NH+](CCCCn3sc4cc(O)c(Cl)c([O-])c4c3=O)CC2)c2ccccc21 to have a lower LogP value.,CCCn1c(=O)n(C2CC[NH+](CCCCn3sc4cc(O)cc([O-])c4c3=O)CC2)c2ccccc21
MR,Optimize the molecule CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](C2CCCC2)CC1 to have a higher MR value.,CC(C)C(NC(=O)OCc1ccc(N)cc1)C(=O)N1CC[NH+](C2CCCC2)CC1
QED,Please optimize the molecule CC(=O)Oc1ccccc1C=NNC(=O)CNc1cccc2ccccc12 to have a lower QED value.,CC(=O)Oc1ccccc1C=NNC(=O)CNc1cccc2ccc(O)cc12
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC([NH2+]C1CC2CCC1C2(C)C)C(=O)[O-]
BondNum,"The molecule consists of 19 single bonds, 3 double bonds, 8 rotatable bonds, and 29 aromatic bonds.",COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)C5CCN(C(=O)OCc6ccccc6)CC5)cc4)nnc3c2)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amine group.",CNc1cc[nH+]c(-c2cccc(C)c2)c1
AddComponent,Please add a benzene ring to the molecule C=Cc1c(O)c(O)c2ccccc2c1O.,C=Cc1c(O)c(O)c2cc(-c3ccccc3)ccc2c1O
SubComponent,Modify the molecule halo by substituting a COc1ccc(C(=O)NC(C)C)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)N3CCCC3)ccc2Cl)CC1 with a hydroxyl.,COc1ccc(C(=O)NC(C)C)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)N3CCCC3)ccc2O)CC1
DelComponent,Modify the molecule Fc1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cc1F by removing a halo.,Fc1cc2nc(Nc3ccccc3Cl)[nH]c2cc1F
LogP,Modify the molecule COc1ccc(C(C)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 to have a lower LogP value.,COc1ccc(C(C)NC(=S)Nc2ccc(C(=O)[OH])c(Cl)c2)cc1
MR,Please optimize the molecule Cc1noc(C)c1C(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1 to have a higher MR value.,Cc1noc(C)c1C(=O)N1CC(=O)N(c2ccc(Cl)nn2)C(N)C1
QED,Please modify the molecule Cc1cnc(NC(=O)c2c(Cl)cccc2Cl)s1 to decrease its QED value.,Cc1cnc(NC(=O)c2c(O)cccc2Cl)s1
AtomNum,"There is a molecule with 23 carbon atoms, 12 oxygen atoms, 1 sulfur atom, and 8 fluorine atoms.",CCOCOC1C2OC(c3ccccc3)OCC2OC(OC)C1OS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(=O)[O-]
BondNum,"The molecule consists of 13 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(C)c1OC(=O)CC(C(=O)OC(C)(C)C)c1ccccc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",O=C(COc1ccc2c(c1)CCCC2)NN=Cc1ccccc1O
AddComponent,Modify the molecule CCC1CCCCC1OCc1nc2c(N)cccc2o1 by adding a carboxyl.,CCC1(C(=O)O)CCCCC1OCc1nc2c(N)cccc2o1
SubComponent,Please substitute a O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 in the molecule halo with a aldehyde.,CC(=O)c1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccccc1F
DelComponent,Remove a CC1(O)CC23CC1CCC2C(C)(O)C1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1(O)C(O)C3 from the molecule hydroxyl.,CC1(O)CC23CCC4(O)C(C(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C(C)(O)C2CCC1C3
LogP,Please optimize the molecule CCC(O)(CC)C(O)Cc1cc(F)ccc1C to have a lower LogP value.,CCC(O)(CC)C(O)Cc1c(C)ccc(F)c1O
MR,Optimize the molecule CCCCCC=CC(Sc1ccccc1)C1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(O)C1CC=CCCCC(=O)[O-] to have a higher MR value.,CCCCCC=CC(Sc1ccccc1)C1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(NO)C1CC=CCCCC(=O)[O-]
QED,Modify the molecule Cc1cc(C)c(C(N)=S)c(Nc2ccnn2C(C)C)n1 to increase its QED value.,Cc1cc(C)c(C(N)=S)c(-c2ccnn2C(C)C)n1
AtomNum,"The molecule contains 39 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",Cc1cc(C(=O)NC2CCCCC2C)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1
BondNum,"Please generate a molecule composed of 14 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",Nc1ccc(N2CCC([NH3+])C2)nc1N1CCCC1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 ketone group, 1 ester group, 2 amide groups, and 2 halo groups.",O=C(COC(=O)c1ccc(N2C(=O)CC([NH2+]CCc3c[nH]c4ccccc34)C2=O)cc1)c1ccc(Cl)c(Cl)c1
AddComponent,Please add a benzene ring to the molecule COC(=O)C(Nc1nc(N)nc(Cl)c1N=Nc1ccc(Cl)cc1)C(=O)CSSCC(=O)C(Nc1nc(N)nc(Cl)c1N=Nc1ccc(Cl)cc1)C(=O)OC.,COC(=O)C(Nc1nc(N)nc(Cl)c1N=Nc1ccc(Cl)cc1)C(=O)CSSCC(=O)C(Nc1nc(N)nc(Cl)c1N=Nc1ccc(Cl)cc1)C(=O)OCc1ccccc1
SubComponent,Modify the molecule Cn1c(C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)cc2cccc(-c3ccccc3F)c21 by substituting a halo with a thiol.,Cn1c(C(=O)Nc2ccc(S)cc2-c2nn[n-]n2)cc2cccc(-c3ccccc3F)c21
DelComponent,Modify the molecule amine by removing a CCN(C)C(=O)c1c(Nc2ccc(C[NH+]3CCN(C)CC3)cn2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.,CCN(C)C(=O)c1c(Oc2cc(F)c3[nH]c(C)cc3c2F)ncnc1-c1ccc(C[NH+]2CCN(C)CC2)cn1
LogP,Modify the molecule CC(C)c1ccc(C(Cl)C(C(F)(F)F)C(F)(F)F)cc1 to increase its LogP value.,CC(C)c1ccc(C(Cl)C(c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1
MR,Modify the molecule C1=CCC(CNc2cccc(-n3cnnc3)c2)CC1 to increase its MR value.,Nc1nncn1-c1cccc(NCC2CC=CCC2)c1
QED,Optimize the molecule O=NC(CCC(=O)[O-])c1ccc(-c2ncc(Cl)s2)cc1 to have a lower QED value.,O=NC(CCC(=O)[O-])c1ccc(-c2nccs2)cc1
AtomNum,"Please generate a molecule with 21 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CC(C)(O)COCC(C)(C)Nc1cc(-c2ccncc2)[nH+]c2cnccc12
BondNum,"There is a molecule composed of 9 single bonds, 2 double bonds, 3 rotatable bonds, and 18 aromatic bonds.",CCc1ccc(-c2ccc3c(c2)-c2cc(CC)ccc2C(=O)C3=O)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, and 2 ketone groups.",O=C1CC2(CC[NH+](CCCn3cc(C(=O)c4ccccc4)c4cccc(O)c43)CC2)Oc2ccccc21
AddComponent,Modify the molecule Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1nc(OC(=O)[O-])ccc12 by adding a carboxyl.,Cc1ccc(C(=O)O)nc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1nc(OC(=O)[O-])ccc12
SubComponent,Modify the molecule hydroxyl by substituting a O=C(P(=O)(O)O)[P+](O)(O)O with a nitrile.,N#CP(=O)(O)C(=O)[P+](O)(O)O
DelComponent,Remove a amide from the molecule COc1ccc2cc(C)c3nn(CC(=O)N(C)C4CCCCC4)c(=O)n3c2c1.,COc1ccc2cc(C)c3nn(C4(C)CCCCC4)c(=O)n3c2c1
LogP,Modify the molecule CC(C)NS(=O)(=O)c1ccccc1NCCCC[NH+](C)C to decrease its LogP value.,CC(C)NS(=O)(=O)c1ccc(O)cc1NCCCC[NH+](C)C
MR,Modify the molecule Cc1cccc(CCC(O)c2cccc(C)c2C)c1 to have a higher MR value.,Cc1cccc(CCC(C#N)c2cccc(C)c2C)c1
QED,Please optimize the molecule O=C(CNC(=O)c1n[nH]c2c1CC1CC21)c1ccccc1 to have a lower QED value.,Nc1ccc(C(=O)CNC(=O)c2n[nH]c3c2CC2CC32)cc1
AtomNum,"There is a molecule consisting of 16 carbon atoms, and 5 nitrogen atoms.",[NH3+]CCNc1c2c(nc3cc(C4CCC4)nn13)CCCC2
BondNum,"The molecule contains 6 single bonds, 4 rotatable bonds, and 16 aromatic bonds.",[NH3+]Cc1cccc2[nH]c(COc3ccccc3O)cc12
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 2 amine groups, 7 halo groups, 1 sulfide group, and 2 sulfone groups.",O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c(Cl)s1
AddComponent,Modify the molecule COC(=O)COc1ccc(NC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)cc1 by adding a hydroxyl.,COC(=O)COc1ccc(NC(=O)c2cc(O)ccc2CSc2nc3nc(C)cc(C)n3n2)cc1
SubComponent,Please substitute a halo in the molecule C[NH2+]Cc1ccc(C)c(-c2ccc(OC)cc2F)c1 with a nitro.,C[NH2+]Cc1ccc(C)c(-c2ccc(OC)cc2NO)c1
DelComponent,Modify the molecule O=C(NCC1CCN(c2ccc(F)c(F)c2)C1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 by removing a halo.,O=C(NCC1CCN(c2cccc(F)c2)C1)N1CC[NH+](Cc2ccc(Cl)s2)CC1
LogP,Please optimize the molecule NC(=O)C1CCN(C(=S)NCCc2ccccc2F)CC1 to have a higher LogP value.,Fc1ccccc1CCNC(=S)N1CCCC1
MR,Please modify the molecule CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(F)c3)C2c2ccc(N(C)C)cc2)cc1 to increase its MR value.,CCCOc1ccc(C2=C(C#N)C(=O)N(c3cccc(F)c3)C2c2ccc(N(C)C)cc2)cc1
QED,Please modify the molecule Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)CC(C)O to increase its QED value.,Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(C)O
AtomNum,"The molecule is composed of 15 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1ccccc1NNC(=O)CC1(O)CCCCC1
BondNum,"The molecule consists of 11 single bonds, 7 rotatable bonds, and 9 aromatic bonds.",COCC([NH2+]Cc1c(OC)nc2sccn12)C(C)C
FunctionalGroup,"The molecule is composed of 1 amide group, and 2 halo groups.",CC(=O)Nc1ccc(Cl)nc1F
AddComponent,Add a hydroxyl to the molecule O=C(NC1CCCN(C(=O)N2CCCCCC2)C1)c1cccnc1.,O=C(NC1(O)CCCN(C(=O)N2CCCCCC2)C1)c1cccnc1
SubComponent,Please substitute a Cc1cc(CCl)ccc1N(C)Cc1ccc(Cl)s1 in the molecule halo with a hydroxyl.,Cc1cc(CO)ccc1N(C)Cc1ccc(Cl)s1
DelComponent,Please remove a halo from the molecule O=C([O-])c1ccc(C(F)(F)F)nc1NC1CCSCC1.,O=C([O-])c1ccc(C(F)F)nc1NC1CCSCC1
LogP,Modify the molecule CC[NH+](CC(=O)c1cccc(F)c1)Cc1ccccn1 to have a lower LogP value.,CC[NH+](CC(=O)c1ccccc1)Cc1ccccn1
MR,Please modify the molecule O=C([O-])c1ccc(C2(NS(=O)(=O)c3ccc(Br)cc3)Cc3ccccc3N2)cc1 to decrease its MR value.,ONc1ccc(S(=O)(=O)NC2(c3ccc(C(=O)[O-])cc3)Cc3ccccc3N2)cc1
QED,Modify the molecule CCS(=O)(=O)N1CC2CN(C(=O)CCC(C)C)CC2(c2nc(C)no2)C1 to increase its QED value.,CCS(=O)(=O)N1CC2CC(CC(C)C)C2(c2nc(C)no2)C1
AtomNum,"The molecule consists of 24 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",CCCOc1ccc(C2=C([NH+]3CC(C)OC(C)C3)C(=O)N(Cc3ccco3)C2=O)cc1
BondNum,"There is a molecule composed of 12 single bonds, 1 double bond, and 6 rotatable bonds.",CCN(CC)C(=O)N(CC)CCOC
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 2 amine groups.",CC(CC(N)=[NH+]O)[NH2+]CC1CCOCC1
AddComponent,Please add a aldehyde to the molecule CCCC(C)Nc1ccc(C)cc1.,Cc1ccc(NC(C)CCCCC=O)cc1
SubComponent,Modify the molecule halo by substituting a COc1cc(C=C2SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 with a aldehyde.,CC(=O)c1ccc(CN2C(=O)SC(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)cc1Cl
DelComponent,Remove a amide from the molecule Cc1nn(C)c(C)c1C1C(NC(=O)N2CCC(C)CC(C)C2)CC(=O)N1C.,Cc1nn(C)c(C)c1CC(C)NC(=O)N1CCC(C)CC(C)C1
LogP,Please modify the molecule CC(=O)c1ccccc1C(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)C1 to decrease its LogP value.,CC(=O)c1ccccc1C(=O)N1CCN(C(=O)c2cc(C(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)C1
MR,Optimize the molecule CNc1ccc2c(c1)N(C(C)C)C(=O)C(C)S2 to have a higher MR value.,CC1Sc2ccc(NCO)cc2N(C(C)C)C1=O
QED,Please optimize the molecule NS(=O)(=O)c1cccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)c[nH+]c3c2)c1 to have a lower QED value.,O=C(NCC(F)(F)F)Nc1cccc(-c2c[nH+]c3cc(-c4cccc([SH](=O)=O)c4)ccn23)c1
AtomNum,"The molecule contains 20 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",COCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)C(C)Cl
BondNum,"Please generate a molecule consisting 5 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",NC(=O)C=Cc1c(O)cccc1Cl
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfone group.",COc1ccc(S(=O)(=O)Nc2c(C(=O)[O-])[nH]c3ccc(F)cc23)cc1
AddComponent,Modify the molecule C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](OC)(OC)OC by adding a hydroxyl.,C=C(C)C(=O)OC(O)CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](OC)(OC)OC
SubComponent,Modify the molecule halo by substituting a COC(C)C(O)c1ccccc1Cl with a carboxyl.,COC(C)C(O)c1ccccc1C(=O)[OH]
DelComponent,Modify the molecule O=C(NO)c1cc(-c2ccc(C#CC#CC3CC(CO)C3)cc2)nc2cc[n+](O)cc12 by removing a benzene ring.,O=C(NO)c1cc(C#CC#CC2CC(CO)C2)nc2cc[n+](O)cc12
LogP,Optimize the molecule CC(O)c1cccc(N2CCC(Cc3ccc(Cl)cc3)(C(=O)[O-])CC2)n1 to have a lower LogP value.,CC(O)c1cccc(N2CCC(Cc3ccccc3)(C(=O)[O-])CC2)n1
MR,Please optimize the molecule CC([NH2+]C(c1ccccc1)C(C)C)c1ccc(Br)cc1F to have a lower MR value.,CC([NH2+]C(c1ccccc1)C(C)C)c1ccc(C#N)cc1F
QED,Modify the molecule Cc1ccc(NC(=O)COC(=O)c2nn(-c3ccccc3)cc2O)cc1C to have a lower QED value.,Cc1ccc(NC(=O)COC(=O)c2nn(-c3ccccc3)cc2O)c(C(=O)O)c1C
AtomNum,"The molecule contains 13 carbon atoms, and 11 oxygen atoms.",COC1(CO)OC(COC2(CO)OC(CO)C(O)C2O)C(O)C1O
BondNum,"There is a molecule with 25 single bonds, 3 double bonds, 3 triple bonds, 10 rotatable bonds, and 6 aromatic bonds.",CCCCN(CCCC)c1ccc(C=CC2=C(C#N)C(=C(C#N)C#N)OC2(C)C(F)(F)F)c(OC)c1
FunctionalGroup,"The molecule consists of 1 amide group, and 1 sulfone group.",CS(=O)(=O)N1CC[NH+](CC(=O)N2CCCCCC2)CC1
AddComponent,Please add a amine to the molecule CCOOCCN(CP(=O)(OCC)OCC)P(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)CC1O.,CCOOCCN(CP(=O)(OCC)OCC)P(=O)([O-])OCC1OC(N)(n2cnc3c(N)ncnc32)CC1O
SubComponent,Please substitute a COCCC([NH3+])C(=O)Nc1ccc(OCC(F)(F)F)cc1 in the molecule halo with a nitrile.,COCCC([NH3+])C(=O)Nc1ccc(OCC(F)(F)C#N)cc1
DelComponent,Please remove a O=C1SC(=Cc2cccc(Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] from the molecule nitro.,O=C1SC(=Cc2cccc(Cl)c2)C(=O)N1Cc1([O-])cccc-1O
LogP,Please modify the molecule Cc1cc(C)cc(N(C)C(=O)C2CC23CC[NH2+]CC3)c1 to decrease its LogP value.,Cc1cc(C)cc(N(C)C(=O)C2CC23CC[NH2+]C(O)C3)c1
MR,Please modify the molecule Cc1cc(N)c(Cl)cc1N(C)CC(C)C#N to increase its MR value.,Cc1cc(N)c(Cl)cc1N(C)CC(C#N)CO
QED,Modify the molecule O=C([O-])C1CCc2cccc(O)c2N1 to increase its QED value.,O=C([OH])c1cccc2c1NC(C(=O)[O-])CC2
AtomNum,"The molecule consists of 27 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCc4ccccc43)cc2c1
BondNum,"Please generate a molecule composed of 9 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",NC(=O)NCCNS(=O)(=O)c1ccc(Cl)c(N)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 amine groups.",CCc1cc(C(NN)c2ccc(C)c(C)c2)n(CC)n1
AddComponent,Modify the molecule CC(C)COCCn1c(C(C)Cl)nc2cnccc21 by adding a hydroxyl.,CC(C)COCCn1c(C(C)Cl)nc2cnc(O)cc21
SubComponent,Modify the molecule CC(C)C(=O)NC(C)c1ccc(NS(C)(=O)=O)c(F)c1 by substituting a halo with a hydroxyl.,CC(C)C(=O)NC(C)c1ccc(NS(C)(=O)=O)c(O)c1
DelComponent,Modify the molecule benzene ring by removing a CCOC(=O)c1cnc(SC)nc1C(=O)c1cccc(C[NH+]2CCCCC2)c1.,CCOC(=O)c1cnc(SC)nc1C(=O)C[NH+]1CCCCC1
LogP,Modify the molecule NC(=O)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1 to decrease its LogP value.,NC(=O)NC(=O)COC(=O)C1CCCCC1
MR,Modify the molecule CC[NH2+]CC(C)(CCOC)C1CC1 to increase its MR value.,COCCC(C)(C[NH2+]C(C)O)C1CC1
QED,Modify the molecule CC(C)N(C)c1cncc(CCl)n1 to have a lower QED value.,CC(C)N(C)c1cncc(CNO)n1
AtomNum,"The molecule is composed of 19 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CCCCCN(Cc1nc(C(=O)OCC)cs1)C(=O)Nc1ccccc1Br
BondNum,"Please generate a molecule with 21 single bonds, 1 double bond, 11 rotatable bonds, and 22 aromatic bonds.",C[NH+](C)CCNC(=O)COc1ccc(-c2nc3[nH+]cc(Cl)c(NC4(Cc5ccc(F)cc5)CC[NH2+]C4)c3[nH]2)cc1
FunctionalGroup,The molecule is composed of and 1 amine group.,c1cc2[nH]ncc2cc1OCCc1ccc2c(n1)NCCC2
AddComponent,Add a benzene ring to the molecule Cc1[nH]c(NN)nc1-c1ccccn1.,Cc1[nH]c(NN)nc1-c1ccc(-c2ccccc2)cn1
SubComponent,Substitute a halo in the molecule [NH3+]C(CSC(F)C(F)Cl)C(=O)[O-] with a thiol.,[NH3+]C(CSC(S)C(F)Cl)C(=O)[O-]
DelComponent,Modify the molecule CCCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OCC by removing a halo.,CCCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC
LogP,Modify the molecule COC(=O)C1(C)C(c2ccccc2)OC(=O)N1Cc1ccccc1 to have a lower LogP value.,COC(=O)C1(C)C(c2ccccc2)OC(=O)N1C
MR,Modify the molecule Cc1cc(C(=O)NC2(C)CC2)cc(S(N)(=O)=O)c1Br to have a lower MR value.,Cc1cc(C(=O)NC2(C)CC2)cc(S(N)(=O)=O)c1C(=O)[OH]
QED,Please optimize the molecule Cc1cccc(Br)c1C(=O)C1CCCS1 to have a lower QED value.,Cc1cccc(C#N)c1C(=O)C1CCCS1
AtomNum,"The molecule consists of 20 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 3 fluorine atoms.",Cc1ccc(Nc2cc(-c3ccccc3)nc(NCCO)n2)cc1C(F)(F)F
BondNum,"There is a molecule composed of 10 single bonds, 2 double bonds, 1 triple bond, 7 rotatable bonds, and 17 aromatic bonds.",N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)C(=O)NCc1ccco1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",CN(Cc1ccc(F)cc1)C(=O)c1nc[nH]c1C(=O)[O-]
AddComponent,Modify the molecule CCOC(=O)C1=NN(N=O)C2C(=O)N(c3cc(C)cc(C)c3)C(=O)C12 by adding a amine.,CCOC(=O)C1=NN(N=O)C2C(=O)N(c3cc(C)cc(C)c3N)C(=O)C12
SubComponent,Please substitute a NC(=[NH+]O)C(COCc1ccccc1)NC(=O)[O-] in the molecule hydroxyl with a nitrile.,N#C[NH+]=C(N)C(COCc1ccccc1)NC(=O)[O-]
DelComponent,Please remove a benzene ring from the molecule CCN(c1ccc(NC(=O)COC(=O)C(CO)NC(=O)c2ccccc2)cc1)C(C)C.,CCN(NC(=O)COC(=O)C(CO)NC(=O)c1ccccc1)C(C)C
LogP,Please modify the molecule O=C([O-])c1cn(Cc2ccc3c(c2)CC(O)CC3)c2cccc(F)c2c1=O to increase its LogP value.,O=C([O-])c1cn(Cc2ccc3c(c2)CC(O)(c2ccccc2)CC3)c2cccc(F)c2c1=O
MR,Modify the molecule CC(CC#N)NC(=O)C(C)(C)C(C)(C)[NH3+] to have a higher MR value.,CC(NC(=O)C(C)(C)C(C)(C)[NH3+])C(C#N)c1ccccc1
QED,Optimize the molecule CN(C)c1cccc2cccc([Si]3(O[Si]4(c5cccc6cccc(N(C)C)c56)CCC4)CCC3)c12 to have a lower QED value.,CN(C)c1cccc2cccc([Si]3(O[Si]4(c5cccc6cccc(N(C)C)c56)CC(c5ccccc5)C4)CCC3)c12
AtomNum,"The molecule is composed of 17 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",COc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)cc1Cl
BondNum,"Please generate a molecule with 16 single bonds, 4 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCOc1cc(C=C2SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1O
FunctionalGroup,There is a molecule consisting of and 4 ester groups.,CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)c1nnc2n(C(C)=O)c(=O)cc(C)n12
AddComponent,Modify the molecule CCOc1ccccc1C(=O)NC(C)C1CCCO1 by adding a amine.,CCOc1ccccc1C(=O)NC(C)C1CCC(N)O1
SubComponent,Modify the molecule halo by substituting a COc1ccc(C(=O)C2=C(OCc3ccccc3)C(=O)N(c3ccc(C(F)(F)F)cc3)C2c2ccccc2)cc1 with a carboxyl.,COc1ccc(C(=O)C2=C(OCc3ccccc3)C(=O)N(c3ccc(C(F)(F)C(=O)[OH])cc3)C2c2ccccc2)cc1
DelComponent,Remove a amine from the molecule CC(C)Cc1nnc(NC2C(C)CCCC2C)s1.,CC(C)Cc1nnc(C2C(C)CCCC2C)s1
LogP,Modify the molecule C=CC(=O)Nc1cccc(N(C(=O)NCc2ccc(F)c(C)c2)c2cc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncn2)c1 to increase its LogP value.,COc1cc(N2CC[NH+](C)CC2)ccc1Nc1cc(N(C(=O)NCc2ccc(F)c(C)c2)c2cccc(C)c2)ncn1
MR,Please modify the molecule CC(c1ccc(C#CCO)cc1)N1CCCCCC1=O to increase its MR value.,CC(=O)CC#Cc1ccc(C(C)N2CCCCCC2=O)cc1
QED,Modify the molecule COc1ccccc1-c1ccc(=O)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)n1 to increase its QED value.,COc1ccc(=O)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)n1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC1CC(NC(=O)NCC(O)C2CCOCC2)CC[NH+]1C
BondNum,"The molecule is composed of 12 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(C([NH3+])C2CCCC(C)C2)cc1C
FunctionalGroup,"The molecule is composed of 1 ketone group, and 1 ester group.",CCOC(=O)C1CC=CCCCCCCC=CCCC1=O
AddComponent,Add a benzene ring to the molecule CC1CCC2C(=O)NC(=O)C12.,CC1CCC2(c3ccccc3)C(=O)NC(=O)C12
SubComponent,Substitute a halo in the molecule Cc1ccnc(N2CCN(C(=O)C=CC(F)(F)F)CC2)c1 with a nitrile.,Cc1ccnc(N2CCN(C(=O)C=CC(F)(F)C#N)CC2)c1
DelComponent,Modify the molecule benzene ring by removing a CC[NH+](CC)CCCN(CCC[NH+](CC)CC)C(=O)c1ccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)OC)ccc23)cc1.,CC[NH+](CC)CCCN(CCC[NH+](CC)CC)C(=O)N=C(c1ccccc1)c1c(O)[nH]c2cc(C(=O)OC)ccc12
LogP,Optimize the molecule CCNC(=[NH+]CCNC(=O)c1ccccc1F)N(C)Cc1cc(Cl)cn1C to have a lower LogP value.,CCNC(=[NH+]CCNC(=O)c1ccccc1C(=O)[OH])N(C)Cc1cc(Cl)cn1C
MR,Please modify the molecule COc1ccc(Br)cc1C1Nc2ccccc2C(=O)N1C to decrease its MR value.,COc1ccc(Br)cc1C1c2ccccc2C(=O)N1C
QED,Please optimize the molecule CCc1cc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C[NH+]2CCC([NH+]3CCCCC3)CC2)cc(CC)c1CC to have a higher QED value.,CCC(C)C(CC)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC([NH+]2CCCCC2)CC1
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 fluorine atom, and 1 bromine atom.",OCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F
BondNum,"There is a molecule with 28 single bonds, 6 double bonds, 14 rotatable bonds, and 24 aromatic bonds.",Cc1ccc(S(=O)(=O)NC(=O)NCCOc2ccc(C(C)(C)C)cc2Sc2cc(C(C)(C)C)ccc2OCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
FunctionalGroup,The molecule has and 3 ester groups.,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC
AddComponent,Modify the molecule CCC(C)C(=O)Nc1ccc2c(c1)C(=O)OC2 by adding a benzene ring.,CCC(C)(C(=O)Nc1ccc2c(c1)C(=O)OC2)c1ccccc1
SubComponent,Modify the molecule CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCC(C)CC4)o3)c(=O)n2C1c1ccc(Cl)cc1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(C2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(N5CCC(C)CC5)o4)c(=O)n32)cc1
DelComponent,Please remove a amide from the molecule O=C([O-])CCOc1cccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)c1.,O=C([O-])CCOc1cccc(C(SC=S)c2cccc(Cl)c2)c1
LogP,Please modify the molecule Cc1ccc(NCc2ccc(Cl)cc2)cc1C(F)(F)F to decrease its LogP value.,Cc1ccc(NCc2ccc(Cl)cc2O)cc1C(F)(F)F
MR,Please modify the molecule CCOC(=O)Cc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1 to increase its MR value.,CCOC(=O)Cc1ccc(NC(=O)c2cccn(Cc3ccc(S)cc3)c2=O)cc1
QED,Modify the molecule CC[NH2+]C(c1cncc(OC)c1)c1csc(I)c1 to increase its QED value.,CC[NH2+]C(c1ccsc1)c1cncc(OC)c1
AtomNum,"There is a molecule with 18 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 chlorine atoms.",O=C(NCC1CCC[NH2+]C1)c1cccnc1Oc1ccc(Cl)cc1Cl
BondNum,"Please generate a molecule with 18 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CCc1cnc(C)nc1N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 halo group.",COC1CCCOC12CCN(C(=O)CCc1cccc(F)c1)CC2
AddComponent,Modify the molecule O=C(CCC1CCCC1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 by adding a benzene ring.,O=C(CCC1CCCC1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OC(c2ccccc2)CCO3)cc1
SubComponent,Please substitute a hydroxyl in the molecule OB(O)c1ccc2csnc2c1 with a aldehyde.,CC(=O)B(O)c1ccc2csnc2c1
DelComponent,Remove a CC([NH2+]CCSCCCO)c1ccc(Br)cc1Br from the molecule halo.,CC([NH2+]CCSCCCO)c1ccccc1Br
LogP,Please modify the molecule CC(C)Oc1ccc2c(c1)C(c1cc(N3CCC(F)(F)CC3)ncn1)NN2 to decrease its LogP value.,CC(C)Oc1ccc2c(c1)C(c1cc(N3CCC(F)(C#N)CC3)ncn1)NN2
MR,Please optimize the molecule CC(Oc1cccc2ccccc12)C(=O)Nc1ccc(CC#N)cc1 to have a lower MR value.,Cc1ccc(NC(=O)C(C)Oc2cccc3ccccc23)cc1
QED,Modify the molecule CSCCSc1ccc(SCCSC)cc1 to have a lower QED value.,CSCCSSCCSC
AtomNum,"There is a molecule consisting of 29 carbon atoms, 8 oxygen atoms, 9 nitrogen atoms, and 1 phosphorus atom.",CCCCOC(=O)C(C)NP(=O)(OCC1OC(n2cnc3c(OC)nc(N)nc32)C(C)(N=[N+]=[N-])C1O)Oc1cccc2ccccc12
BondNum,"The molecule is composed of 17 single bonds, 3 double bonds, and 7 rotatable bonds.",CCN(CC(=O)NC)C(=O)NCC1(CC(=O)[O-])CCC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 thioether group, and 1 sulfide group.",COc1ccc(CSc2cnn(C)c2)cc1C=CC(=O)[O-]
AddComponent,Please add a carboxyl to the molecule Nc1cccc2c1CC[NH+](Cc1ccc(F)c(Cl)c1)C2.,Nc1cccc2c1CC[NH+](Cc1cc(Cl)c(F)cc1C(=O)O)C2
SubComponent,Substitute a halo in the molecule CC[NH+](CCc1ccncc1)CC(Cl)c1ccc(C)cc1C with a nitrile.,CC[NH+](CCc1ccncc1)CC(C#N)c1ccc(C)cc1C
DelComponent,Please remove a benzene ring from the molecule CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4cnc(OCCC[NH+]5CCOCC5)cc4[nH+]3)cc2)no1.,CC(C)(C)c1cc(NC(=O)Nc2cn3cnc(OCCC[NH+]4CCOCC4)cc3[nH+]2)no1
LogP,Please modify the molecule CCN(CC)C(=O)C=CCN(C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1 to increase its LogP value.,CCN(CC)C(=O)C=CCN(C(=O)c1ccc(C(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1
MR,Modify the molecule O=c1oc2cc(NC3COC(CO)C(O)C3O)ccc2cc1I to have a higher MR value.,O=c1oc2c(-c3ccccc3)c(NC3COC(CO)C(O)C3O)ccc2cc1I
QED,Optimize the molecule CC(C)c1nn(-c2cccc(Cl)c2)c2c1C[NH2+]CC2 to have a lower QED value.,CC(C)c1nn(-c2cccc(C#N)c2)c2c1C[NH2+]CC2
AtomNum,"The molecule has 12 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 fluorine atom.",Cc1csc(CNS(=O)(=O)c2ccc(F)c(C[NH3+])c2)n1
BondNum,"The molecule is composed of 14 single bonds, 3 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",CC1CCCCN1S(=O)(=O)c1cccc(C(=O)OCc2csc(-c3ccccn3)n2)c1
FunctionalGroup,Please generate a molecule with and 1 nitrile group.,CCc1c[nH+]c(CC)n1C#N
AddComponent,Modify the molecule Cn1cc(-c2ccc(Cc3[nH]nc4ccc(NS(C)(=O)=O)cc34)cc2)cn1 by adding a amine.,Cn1cc(-c2ccc(Cc3[nH]nc4ccc(NS(C)(=O)=O)cc34)c(N)c2)cn1
SubComponent,Please substitute a hydroxyl in the molecule CC(CCO)Sc1cc(S(=O)(=O)N(C)C)ccc1N with a carboxyl.,CC(CCC(=O)[OH])Sc1cc(S(=O)(=O)N(C)C)ccc1N
DelComponent,Modify the molecule benzene ring by removing a CC(C)CC([NH2+]Cc1cocn1)c1ccccc1.,CC(C)CC[NH2+]Cc1cocn1
LogP,Modify the molecule CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(COC6(C(=O)[O-])CC(O)C(O)C(C(O)C(O)CO)O6)C(O)C(O)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O to have a higher LogP value.,CC(=O)NC1C(OC2C(OC3C(O)C(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)OC(OC4C(CO)OC(OC5C(O)CC(O)OC5COC5OC(C)C(O)C(O)C5O)C(NC(C)=O)C4O)C3O)OC(CO)C(O)C2O)OC(CO)C(OC2OC(COC3(C(=O)[O-])CC(O)C(O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O
MR,Modify the molecule Cc1cccc(C)c1NC(=O)C[NH+](C)C(C)c1ccccc1Cl to decrease its MR value.,Cc1cccc(C)c1NC(=O)C[NH+](C)C(C)c1ccccc1
QED,Please optimize the molecule CC1CCC(C(C)(C)c2ccccc2)C(OC(=O)C2OC2(C)c2ccccc2)C1 to have a lower QED value.,CC1CCC(C(C)(C)c2ccccc2)C(OC(=O)C2OC2(C)c2ccccc2CC=O)C1
AtomNum,"The molecule consists of 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(Oc1ccc(C2=CC[NH2+]CC2)cc1)C(N)=O
BondNum,"There is a molecule consisting of 13 single bonds, 2 double bonds, 1 rotatable bond, and 6 aromatic bonds.",CN1CCN(C(=O)c2cccc(F)c2N)C(C)(C)C1=O
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 1 halo group, and 1 sulfone group.",Cc1cc(C)c(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c(C)c1
AddComponent,Modify the molecule Cc1ccc(CNC(=O)c2csc(Nc3ccccc3C)n2)cc1 by adding a benzene ring.,Cc1ccc(CNC(=O)c2csc(Nc3ccccc3Cc3ccccc3)n2)cc1
SubComponent,Substitute a halo in the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(Cl)c(C(=O)N(C)C)c3)CC2)cccc1C(=O)N1CCCCC1 with a thiol.,Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(S)c(C(=O)N(C)C)c3)CC2)cccc1C(=O)N1CCCCC1
DelComponent,Modify the molecule Cc1ccc(-n2ccc(C[NH2+]C(C)(C)C)n2)cc1C by removing a benzene ring.,CCn1ccc(C[NH2+]C(C)(C)C)n1
LogP,Please optimize the molecule CC(Cl)C(C)(C)Nc1ccc(S(C)(=O)=O)cc1 to have a lower LogP value.,CC(NO)C(C)(C)Nc1ccc(S(C)(=O)=O)cc1
MR,Please modify the molecule Cc1occc1CN(C)C(=O)c1ccccc1CC[NH3+] to decrease its MR value.,Cc1occc1Cc1cccc-1(C)CC[NH3+]
QED,Modify the molecule CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 to increase its QED value.,CCN(C1CCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CN(C(=O)C1CC2CCCC(C1)C2=O)C1CCC1
BondNum,"The molecule has 9 single bonds, 4 rotatable bonds, and 49 aromatic bonds.",CC1(C)c2ccccc2-c2nc(-c3cccc(-c4nc5ccccc5o4)c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 sulfone group.",CC(C)c1cc(C(=O)N2CCC(C)S(=O)(=O)CC2)c2ccccc2n1
AddComponent,Add a hydroxyl to the molecule CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(CO)COC4(C(=O)[O-])CC(O)C(NC(=O)CO)C(C(O)C(O)COC(C)=O)O4)O3)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCC.,CCCCCCCCCCCCCC=CC(O)(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(CO)COC4(C(=O)[O-])CC(O)C(NC(=O)CO)C(C(O)C(O)COC(C)=O)O4)O3)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCC
SubComponent,Modify the molecule halo by substituting a COc1ccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1S(=O)(=O)NC1CC1 with a nitrile.,COc1ccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2C#N)cc1S(=O)(=O)NC1CC1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1.,Cc1ccc(S(=O)(=O)N(C)Cc2nc(C)no2)cc1
LogP,Optimize the molecule CCOC1CC(NC(NCCCCn2cnnc2)=[NH+]C)C12CCCC2 to have a higher LogP value.,CCOC1CC(NC(CCCCn2cnnc2)=[NH+]C)C12CCCC2
MR,Optimize the molecule COC(=O)c1nnn(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1ccc(CO)cc1 to have a higher MR value.,COC(=O)c1nnn(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1ccc(CNO)cc1
QED,Please modify the molecule Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(C(C(=O)c3ccc(OC(F)F)cc3)C3CC[NH2+]CC3)cc2)cc1 to decrease its QED value.,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(C(C(=O)c3ccc(OC(F)F)c(-c4ccccc4)c3)C3CC[NH2+]CC3)cc2)cc1
AtomNum,"The molecule consists of 37 carbon atoms, 6 oxygen atoms, and 5 nitrogen atoms.",CC1CC[NH+](CCCN(Cc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)C(=O)Nc2ccc3c(c2)OCCO3)CC1
BondNum,"There is a molecule consisting of 19 single bonds, 3 double bonds, 3 rotatable bonds, and 18 aromatic bonds.",CC(=O)NC1C[NH+](CC2Cc3ccccc3C2)CCC1=C1c2ccccc2C=Cc2ccccc21
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, 1 amine group, 1 thioether group, 1 sulfide group, and 1 sulfone group.",CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1
AddComponent,Modify the molecule O=S1(=O)CCCN1CCSc1nc2cc(Cl)ccc2o1 by adding a benzene ring.,O=S1(=O)CC(c2ccccc2)CN1CCSc1nc2cc(Cl)ccc2o1
SubComponent,Please substitute a CC[NH2+]C1COc2c(Br)cc(Cl)c(F)c21 in the molecule halo with a carboxyl.,CC[NH2+]C1COc2c(C(=O)[OH])cc(Cl)c(F)c21
DelComponent,Please remove a halo from the molecule CCc1ccsc1CNc1cc(C(=O)[O-])cc(Cl)n1.,CCc1ccsc1CNc1cc(C(=O)[O-])ccn1
LogP,Please modify the molecule COc1cccc(C=CNC(=O)Nc2ccccc2Br)c1 to increase its LogP value.,COc1cccc(C=CNC(=O)Nc2cccc(-c3ccccc3)c2Br)c1
MR,Please modify the molecule COc1ccc(C(O)c2cc(Cl)c(Br)s2)c(OC)c1OC to increase its MR value.,COc1cc(CC=O)c(C(O)c2cc(Cl)c(Br)s2)c(OC)c1OC
QED,Please optimize the molecule CC(C)Oc1cccc(C([NH3+])CC(C)(C)C)c1 to have a lower QED value.,CC(C)Oc1cccc(C([NH3+])CC(C)(C)Cc2ccccc2)c1
AtomNum,"There is a molecule consisting of 7 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 3 fluorine atoms, 1 bromine atom, and 1 iodine atom.",N#Cc1ncc(I)c(OC(F)(F)F)c1Br
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",CCCC1(C(=O)[O-])CCCN(C(=O)c2cccn2C)C1
FunctionalGroup,The molecule has and 1 nitrile group.,N#CC1CCCC1NC(=O)N1CCCCC1c1ccn[nH]1
AddComponent,Add a benzene ring to the molecule Cc1cncn1C1CC[NH2+]CC1C.,Cc1cncn1C1CC[NH2+]CC1Cc1ccccc1
SubComponent,Substitute a COc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(C(F)(F)F)cccc3s2)cc1 in the molecule halo with a aldehyde.,CC(=O)C(F)(F)c1cccc2sc(NC(=O)CS(=O)(=O)c3ccc(OC)cc3)nc12
DelComponent,Modify the molecule halo by removing a Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2ccc(Cl)cc2C(=O)NC2CCCC2)CC1.,Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1
LogP,Modify the molecule Cc1ccc(C(C)(C)COCCO)cc1 to have a lower LogP value.,CC(C)(C)COCCO
MR,Modify the molecule C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)CC(C)C#N)c1 to decrease its MR value.,C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(CC)CC(C)C#N)c1
QED,Modify the molecule COC(=O)C(Cc1cccc(C#N)c1)C(C)NC(=O)c1ccc(-c2ccncc2)s1 to have a lower QED value.,COC(=O)C(Cc1cccc(Br)c1)C(C)NC(=O)c1ccc(-c2ccncc2)s1
AtomNum,"Please generate a molecule with 25 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COCCCn1c(C)cc(C(=O)COC(=O)c2ccccc2NC(=O)CSc2nccn2C)c1C
BondNum,"The molecule is composed of 14 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",C[NH+]1CCN(C(=O)c2nnn(-c3ccc(NC(=O)c4ccco4)cc3)c2N)CC1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 hydroxyl group, and 2 ester groups.",CCOc1ccc(C(=O)Oc2ccc(C(=O)OCCO)cc2)cc1
AddComponent,Modify the molecule O=c1nc(-c2ccco2)[nH]c2c1C[NH+](Cc1ccccc1OC(F)F)CC2 by adding a amine.,Nc1ccc(OC(F)F)c(C[NH+]2CCc3[nH]c(-c4ccco4)nc(=O)c3C2)c1
SubComponent,Modify the molecule Cc1cccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1C by substituting a halo with a nitrile.,Cc1cccc(NC(=O)CN(c2cccc(C#N)c2Cl)S(C)(=O)=O)c1C
DelComponent,Modify the molecule amine by removing a CCOC(=O)c1ccc(NC(=S)NCCN2C(=O)CSC2=O)cc1.,CCOC(=O)c1ccc(C(=S)NCCN2C(=O)CSC2=O)cc1
LogP,Modify the molecule COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nc(C)cs4)C3c3ccc(F)cc3)oc12 to have a lower LogP value.,COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nc(C)cs4)C3F)oc12
MR,Modify the molecule COC(=O)c1ccc(COc2ccccc2-c2csc(NC(C)=O)n2)cc1 to have a lower MR value.,COC(=O)c1ccc(COc2csc(NC(C)=O)n2)cc1
QED,Please modify the molecule CC(C)CCCC(C)C1CCC2C3CCC4CC(C)(O)C(C)(O)CC4(C)C3CCC12C to decrease its QED value.,CC(C)CCCC(C)C1CCC2C3CCC4CC(C)(O)C(C)CC4(C)C3CCC12C
AtomNum,"The molecule is composed of 8 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",CCC(C(N)=S)N(CCO)CC(F)F
BondNum,"There is a molecule consisting of 15 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",COc1ccc(-c2nn(C3CCCCC3)c3c2C[NH2+]CC3)cc1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 3 halo groups.",Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)C[NH+](Cc1ccc(C(F)(F)F)cc1)C(C(=O)[O-])C2
AddComponent,Add a hydroxyl to the molecule COC(=O)c1nc2c(C(F)(F)F)cccc2[nH]1.,COC(=O)c1nc2c(C(F)(F)F)ccc(O)c2[nH]1
SubComponent,Substitute a halo in the molecule CC(=O)CCCCCCC(=O)Oc1ccc(F)c(C(F)(F)F)c1 with a thiol.,CC(=O)CCCCCCC(=O)Oc1ccc(S)c(C(F)(F)F)c1
DelComponent,Remove a benzene ring from the molecule CC(=NNC(=O)c1ccc(C)cc1)c1oc(C)cc1C.,CC(=O)NN=C(C)c1oc(C)cc1C
LogP,Modify the molecule COc1cc(C(=O)NCCCN(C)c2ccccc2)ccc1OC(F)F to have a lower LogP value.,COc1cc(C(=O)NCCCN(C)c2ccccc2)ccc1OC(O)F
MR,Please modify the molecule CCC(C)C(NC(=O)Nc1nnc(C)s1)C(=O)[O-] to increase its MR value.,CCC(CO)C(NC(=O)Nc1nnc(C)s1)C(=O)[O-]
QED,Modify the molecule Cc1ccc(OCC(=O)NC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c(C)c1 to have a lower QED value.,Cc1ccc(OCC(=O)NC2CCN(C(=O)COc3ccc(C(=O)[OH])cc3)CC2)c(C)c1
AtomNum,"The molecule has 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",O=C([O-])c1ncsc1C12CC3CC(CC(C3)C1)C2
BondNum,"Please generate a molecule composed of 15 single bonds, 2 double bonds, 6 rotatable bonds, and 10 aromatic bonds.",O=C(CSc1nnc(NC(=O)c2ccc(Br)o2)s1)NC1CCCCC1
FunctionalGroup,The molecule has and 1 amide group.,O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCCC1CC1CCCCC1
AddComponent,Modify the molecule Cc1ccc(-c2csc3nc(Cl)nc(N4CCCC4C(=O)[O-])c23)c(C)c1 by adding a amine.,Cc1ccc(-c2csc3nc(Cl)nc(N4CCC(N)C4C(=O)[O-])c23)c(C)c1
SubComponent,Substitute a CC(Br)C[NH+](C)Cc1cc(F)ccc1Cl in the molecule halo with a aldehyde.,CC(=O)C(C)C[NH+](C)Cc1cc(F)ccc1Cl
DelComponent,Modify the molecule halo by removing a Clc1cnc2cnc(Cl)nc2c1.,Clc1ncc2ncccc2n1
LogP,Please modify the molecule CCCOCCC(C[NH3+])(C(=O)OC)c1ccc(C)cc1 to decrease its LogP value.,CCCOCCC(C)(C[NH3+])C(=O)OC
MR,Modify the molecule CCC(C)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CC)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C to have a higher MR value.,CCC(C)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CC)COP(=O)([O-])OCC(S)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
QED,Modify the molecule O=C(CSc1cnc2ccccc2n1)c1ccc(Cl)c(Cl)c1 to have a higher QED value.,O=C(CSc1cnc2ccccc2n1)c1cccc(Cl)c1
AtomNum,"The molecule is composed of 14 carbon atoms, 5 oxygen atoms, and 1 fluorine atom.",COC(=O)CC(=Cc1ccc(OC)cc1F)C(=O)OC
BondNum,"There is a molecule composed of 19 single bonds, 1 double bond, 12 rotatable bonds, and 11 aromatic bonds.",CCNC(NCCCc1c(C)noc1C)=[NH+]Cc1ccc(C)cc1OCCOCC
FunctionalGroup,"There is a molecule composed of 1 ester group, 1 amine group, and 1 halo group.",CCOC(=O)C1CCNc2[nH+]cc(Cl)n21
AddComponent,Add a hydroxyl to the molecule CCCC(c1nnnn1CCOC)[NH+]1CCN(c2ccccc2F)CC1.,CCCC(c1nnnn1CC(O)OC)[NH+]1CCN(c2ccccc2F)CC1
SubComponent,Substitute a [N-]=[N+]=C1CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1O in the molecule hydroxyl with a halo.,[N-]=[N+]=C1CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1Cl
DelComponent,Please remove a halo from the molecule CCn1ncc(Br)c1C1CC(C)CCC1C[NH2+]C.,CCn1nccc1C1CC(C)CCC1C[NH2+]C
LogP,Modify the molecule CCC(C)NC(=O)c1cccc(C)c1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)NC3CCCC3)ccc2C)CC1 to have a higher LogP value.,CCC(C)NC(=O)c1cccc(C)c1NC(=O)CCC1CC[NH+](C(C)C(=O)Nc2cc(C(=O)NC3CCCC3)ccc2C)C1
MR,Please modify the molecule CC(C)N(CCC(N)=S)C(=O)c1ccc(F)c(Br)c1 to increase its MR value.,CC(C)N(CCC(N)=S)C(=O)c1cccc(Br)c1
QED,Modify the molecule CC(C)n1ccc(NC(=O)C2CCC(=O)CC2)n1 to decrease its QED value.,CC(C)n1ccc(C2CCC(=O)C2)n1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
BondNum,"Please generate a molecule with 12 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC1(C)C(O)CC1Nc1cc(F)c(F)cc1F
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ester group, 2 halo groups, and 1 sulfide group.",CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(OC)c(I)c3)c(=O)n2C1c1cc(OC)ccc1OC
AddComponent,Please add a amine to the molecule CSCCC(C)[NH2+]C1CCC(C)CC1.,CC1CCC([NH2+]C(C)CCSCN)CC1
SubComponent,Please substitute a halo in the molecule Cc1occc1C(=O)Cc1ccccc1Br with a nitrile.,Cc1occc1C(=O)Cc1ccccc1C#N
DelComponent,Remove a halo from the molecule CC(C)(C)OC(=O)NC1CC(C2CC2)CN(c2ccc(F)c3nccnc23)C1.,CC(C)(C)OC(=O)NC1CC(C2CC2)CN(c2cccc3nccnc23)C1
LogP,Modify the molecule CCOc1cc2c(cc1CNC(NCCCCC(=O)OC)=[NH+]C)OC(C)C2 to decrease its LogP value.,CCOc1cc2c(cc1CNC(NCCCCC(=O)OC)=[NH+]C)OC(C)C2O
MR,Optimize the molecule CCCCC(Oc1ccc(Cl)cc1Br)C(=O)OC to have a higher MR value.,CCCCC(Oc1ccc(S)cc1Br)C(=O)OC
QED,Optimize the molecule O=C(NCCc1cccc(F)c1F)N1CCC(N2CCNC2=O)CC1 to have a lower QED value.,CC(=O)c1cccc(CCNC(=O)N2CCC(N3CCNC3=O)CC2)c1F
AtomNum,"Please generate a molecule with 20 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",COC(=O)c1sc(NC(=O)C(Sc2ccccc2)c2ccccc2)nc1C
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC[NH+]1CCN(C(=O)c2ccccc2N)CC1C
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, and 2 halo groups.",CC(CCc1ccc(Br)cc1)NC(=O)C=Cc1ccc(F)cc1
AddComponent,Add a hydroxyl to the molecule CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)C.,CCCCCCCCCCCCCOC(=O)C(CC)(CCO)C(=O)Oc1ccccc1C(C)C
SubComponent,Modify the molecule CCCC(C)NC(=O)C(c1ccccc1C)N(CCO)C(=O)CNC(=O)OC(C)(C)C by substituting a hydroxyl with a carboxyl.,CCCC(C)NC(=O)C(c1ccccc1C)N(CCC(=O)[OH])C(=O)CNC(=O)OC(C)(C)C
DelComponent,Modify the molecule O=C(CN1c2cccc3cccc(c23)S1(=O)=O)OCC(=O)N1CCOC1=O by removing a amide.,O=C(CN1c2cccc3cccc(c23)S1(=O)=O)OC1COC1=O
LogP,Optimize the molecule CC(=O)Nc1sc2c(c1C(c1cccnc1)[NH+]1CCCC1)CCCC2 to have a higher LogP value.,c1cncc(C(c2csc3c2CCCC3)[NH+]2CCCC2)c1
MR,Please optimize the molecule CCNC(NCCCOCc1ccco1)=[NH+]CC(CCO)CC(C)C to have a higher MR value.,CCNC(NCCCOCc1ccco1)=[NH+]CC(CCS)CC(C)C
QED,Please optimize the molecule CC(C)Oc1ccc2ccccc2c1CNc1cccc([N+](=O)[O-])c1 to have a lower QED value.,CC(C)Oc1ccc2ccccc2c1Cc1cccc([N+](=O)[O-])c1
AtomNum,"The molecule consists of 8 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCCC(O)Cc1[nH]cc[nH+]1
BondNum,"Please generate a molecule consisting 16 single bonds, 3 double bonds, and 4 rotatable bonds.",CC(C)=CC(=O)N1CCC(NC(=O)CC(C)C)CC1
FunctionalGroup,There is a molecule consisting of and 2 benzene ring groups.,C#CCOC1C(C=Cc2ccc(OCc3ccccc3)c(OC)c2)OC2OC(C)(C)OC21
AddComponent,Please add a hydroxyl to the molecule O=C(NCC1CCS(=O)(=O)C1)C1CCC[NH2+]1.,O=C(NCC1CCS(=O)(=O)C1)C1CC(O)C[NH2+]1
SubComponent,Substitute a halo in the molecule Cc1c(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)N4CCC(C)CC4)c3)CC2)cccc1C(=O)N1CCCC(C)C1 with a hydroxyl.,Cc1c(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3ccc(O)c(C(=O)N4CCC(C)CC4)c3)CC2)cccc1C(=O)N1CCCC(C)C1
DelComponent,Remove a benzene ring from the molecule CC(=O)c1cccc(S(=O)(=O)NCCCI)c1.,CC(=O)S(=O)(=O)NCCCI
LogP,Please modify the molecule O=C(Nc1ccccc1F)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 to increase its LogP value.,CC(=O)c1ccccc1NC(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
MR,Optimize the molecule Cc1nnc2c(NC(C)(C)C(C)(C)O)nccn12 to have a lower MR value.,Cc1nnc2c(C(C)(C)C(C)(C)O)nccn12
QED,Please optimize the molecule C[NH+]1CCCCC1CNS(=O)(=O)c1cc(C[NH3+])cs1 to have a higher QED value.,C[NH+]1CCCCC1CS(=O)(=O)c1cc(C[NH3+])cs1
AtomNum,"The molecule contains 14 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CN(Cc1ccc(Br)cc1)C(=O)c1cc(Br)cn1C1CC1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 2 halo groups.",CC[NH2+]C(c1ccn(Cc2cccc(F)c2Cl)c1)C(C)C
AddComponent,Modify the molecule CCC(C)C([NH3+])C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CS)C(=O)[O-] by adding a hydroxyl.,CCC(C)C([NH3+])C(=O)NC(CCC(O)[NH+]=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CS)C(=O)[O-]
SubComponent,Please substitute a Cc1cc(F)ccc1C=C(CCl)C(C)C in the molecule halo with a nitrile.,Cc1cc(C#N)ccc1C=C(CCl)C(C)C
DelComponent,Modify the molecule hydroxyl by removing a O=C(Cn1cc(Cl)ccc1=O)c1c(O)oc2cccc[n+]12.,O=C(Cn1cc(Cl)ccc1=O)c1coc2cccc[n+]12
LogP,Please modify the molecule S=C1COc2c(ccc(Cl)c2Br)N1 to decrease its LogP value.,Oc1ccc2c(c1Br)OCC(=S)N2
MR,Please modify the molecule CC1(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CC1 to increase its MR value.,CC1(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CC1O
QED,Please modify the molecule CCNc1cncc(Oc2cccc(CO)c2)c1 to decrease its QED value.,CCNc1cncc(OCO)c1
AtomNum,"The molecule has 7 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",[NH3+]CCC([NH3+])=C(CC(=O)[O-])C(=O)[O-]
BondNum,"Please generate a molecule composed of 33 single bonds, 5 double bonds, and 16 rotatable bonds.",CCCCP(=O)([O-])C1=CC(NC(=O)CCCCCNC(=O)CCCCC2SCC3NC(=O)NC32)CC1
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 1 sulfide group.",CC(C)c1csc2nnc(CO)n12
AddComponent,Modify the molecule CCOC(=O)c1ccc(Nc2cnn(CC)c2)c(N)c1 by adding a hydroxyl.,CCOC(=O)c1cc(N)c(Nc2cnn(CC)c2)cc1O
SubComponent,Modify the molecule halo by substituting a Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cccc1C(=O)N1CCCCC1 with a hydroxyl.,Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3ccc(O)c(F)c3)CC2)cccc1C(=O)N1CCCCC1
DelComponent,Remove a benzene ring from the molecule O=S(=O)(Cc1ccccc1C(c1ccccc1)c1ccccc1)N1CC[NH2+]CC1.,O=S(=O)(Cc1ccccc1Cc1ccccc1)N1CC[NH2+]CC1
LogP,Optimize the molecule CCCCCCCCCC(=O)OCC[NH+]1CCC(C2CC(Cl)=CC3=C2SC2C=CC(F)=CC2=CO3)CC1 to have a lower LogP value.,CCCCCCCCCC(=O)OCC[NH+]1CCC(C2CC(S)=CC3=C2SC2C=CC(F)=CC2=CO3)CC1
MR,Please optimize the molecule CCC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3cccc(C(=O)NCc4ccc(F)cc4)c3)C(C)C)CC2)c1 to have a higher MR value.,CCC(C)NC(=O)c1ccc(S)c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3cccc(C(=O)NCc4ccc(F)cc4)c3)C(C)C)CC2)c1
QED,Optimize the molecule CC(C)(C)OC(=O)NCc1nnc(-c2ccc(Br)cc2)o1 to have a higher QED value.,CC(C)(C)OC(=O)NCc1nnc(-c2ccc(C#N)cc2)o1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1
BondNum,"There is a molecule composed of 15 single bonds, 1 double bond, 9 rotatable bonds, and 6 aromatic bonds.",CN(CCO)C(=O)CCc1ccc(OCC[NH+](C)C)c(N)c1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 4 halo groups, 1 thioether group, and 1 sulfide group.",Cc1cc(SCc2nn(-c3ccc(Cl)c(C(F)(F)F)c3)nc2C)ccc1OCC(=O)[O-]
AddComponent,Please add a benzene ring to the molecule CCOC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1.,COc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)OCCc3ccccc3)CC2)cc1[N+](=O)[O-]
SubComponent,Substitute a halo in the molecule COc1cc(Br)c(C2(C[NH3+])CCC2)c(F)c1OC with a aldehyde.,CC(=O)c1cc(OC)c(OC)c(F)c1C1(C[NH3+])CCC1
DelComponent,Remove a benzene ring from the molecule CC(=O)OC(C[NH+](C)Cc1cccc(B2OC(O)=CN(C)C=C(O)O2)c1)c1ccc2ccccc2c1.,CC(=O)OC(C[NH+](C)CB1OC(O)=CN(C)C=C(O)O1)c1ccc2ccccc2c1
LogP,Please optimize the molecule CC(C)C=NOCc1cccc(-c2ccccc2)c1 to have a lower LogP value.,CC(C)C=NOCc1ccccc1
MR,Please modify the molecule O=C(Nc1n[nH]c(C(=O)[O-])c1Br)c1ccccc1C(S)c1cccc2cccnc12 to decrease its MR value.,O=C([O-])c1cc(NC(=O)c2ccccc2C(S)c2cccc3cccnc23)n[nH]1
QED,Please optimize the molecule CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NS(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)cc3)cc2C(=O)N2Cc3ccccc3CC2CO)n1 to have a higher QED value.,CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NS(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)cc3)cc2C(=O)N2Cc3ccccc3CC2C)n1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 2 nitrogen atoms, and 3 fluorine atoms.",C[NH+](Cc1ccccc1)CC(N)CC(F)(F)F
BondNum,"There is a molecule with 11 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCCCc1cc(CC)cc2c1CCCC2
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 2 amide groups, and 1 halo group.",COc1cc(C=NNC(=O)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1
AddComponent,Add a hydroxyl to the molecule [NH3+]CCCc1cnn(Cc2cccc(Br)c2)c1.,[NH3+]CCCc1cnn(Cc2cc(Br)ccc2O)c1
SubComponent,Please substitute a COC1CC([NH2+]CC(O)COCC(C)C)C1(C)C in the molecule hydroxyl with a halo.,COC1CC([NH2+]CC(I)COCC(C)C)C1(C)C
DelComponent,Remove a Cc1ccc(NCCc2nccs2)c(C(=O)[O-])c1 from the molecule benzene ring.,CN(CCc1nccs1)C(=O)[O-]
LogP,Optimize the molecule CC(C)(CCC#N)C[NH2+]CC(O)c1cc(Cl)c2c(c1)OCCO2 to have a higher LogP value.,CCC(C)(C)C[NH2+]CC(O)c1cc(Cl)c2c(c1)OCCO2
MR,Modify the molecule NC(=S)C[NH+]1CCC(NS(=O)(=O)c2ccccc2Br)CC1 to have a lower MR value.,NC(=S)C[NH+]1CCC(NS(=O)(=O)c2ccccc2C(=O)[OH])CC1
QED,Please modify the molecule O=C(Nc1ccc(CNS(=O)(=O)c2cccc(Cl)c2F)cc1)c1ccco1 to increase its QED value.,O=C(NCNS(=O)(=O)c1cccc(Cl)c1F)c1ccco1
AtomNum,"There is a molecule composed of 17 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",CCN(Cc1cccc(F)c1)S(=O)(=O)c1cccc(C(=O)OC)c1
BondNum,"The molecule contains 13 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",O=C(C[NH2+]CC1CCOCC1)Nc1ccc(Br)cc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 ester group, and 1 nitro group.",COc1ccc([N+](=O)[O-])cc1COC(=O)CCOc1cc(C)ccc1C
AddComponent,Please add a benzene ring to the molecule CC1CN(c2nc3ccc(C(F)(F)F)cc3s2)CC[NH2+]1.,CC1[NH2+]CCN(c2nc3ccc(C(F)(F)F)cc3s2)C1c1ccccc1
SubComponent,Modify the molecule Cc1ccc(-c2nc3nc(C)cc(N4CCN(c5ccc(F)cc5)CC4)n3n2)cc1 by substituting a halo with a hydroxyl.,Cc1ccc(-c2nc3nc(C)cc(N4CCN(c5ccc(O)cc5)CC4)n3n2)cc1
DelComponent,Modify the molecule CCCCC(CC)CNC(NCC1CN(C)CC[NH+]1C)=[NH+]C by removing a amine.,CCCCC(CC)CNC(CC1CN(C)CC[NH+]1C)=[NH+]C
LogP,Modify the molecule CCC[NH2+]C(c1cc(F)ccc1Cl)C1CC1(C)C to decrease its LogP value.,CCC[NH2+]C(C(=O)O)(c1cc(F)ccc1Cl)C1CC1(C)C
MR,Please modify the molecule C[NH2+]C(CCCc1ccccc1)C1CCCS1 to increase its MR value.,C[NH2+]C(CCCc1cccc(-c2ccccc2)c1)C1CCCS1
QED,Optimize the molecule COc1ccccc1N1CC(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)CC1=O to have a higher QED value.,COc1ccccc1N1CC(C(=O)Nc2nc(-c3ccccc3OCF)cs2)CC1=O
AtomNum,"The molecule contains 16 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",Cc1cc(C)c2c(CC(=O)NC(C)(C)C)coc2c1
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 6 rotatable bonds, and 23 aromatic bonds.",Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",CCOc1ccc(C(C)NC(=O)c2ccc3c(=O)n(CCCOC)c(=S)[nH]c3c2)cc1OCC
AddComponent,Modify the molecule CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl by adding a aldehyde.,CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1c(Cl)ccc([N+](=O)[O-])c1CC=O
SubComponent,Please substitute a halo in the molecule CSc1nc2nc(C)c(CC(=O)Nc3ccc(-n4cncn4)c(F)c3)c(C)n2n1 with a carboxyl.,CSc1nc2nc(C)c(CC(=O)Nc3ccc(-n4cncn4)c(C(=O)[OH])c3)c(C)n2n1
DelComponent,Modify the molecule amine by removing a CCOC(=O)c1sc(Nc2ncccn2)nc1-c1cccc(C)n1.,CCOC(=O)c1sc(-c2ncccn2)nc1-c1cccc(C)n1
LogP,Please optimize the molecule N#CC(=Cc1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2[nH]1 to have a lower LogP value.,N#CC(=Cc1cc(Cl)c2c(c1)OCC(C#N)CO2)c1nc2ccccc2[nH]1
MR,Modify the molecule NC(=S)c1cccnc1Oc1ccc(F)c(C(F)(F)F)c1 to have a higher MR value.,NC(=S)c1cccnc1Oc1cc(-c2ccccc2)c(F)c(C(F)(F)F)c1
QED,Please optimize the molecule CC(=O)SCCCCCCCCCCCCN1C=CC(=CC(C#N)=c2ccc(=C(C#N)C#N)cc2)c2ccccc21 to have a higher QED value.,CC(=O)SCCCCCCCCCCCCN1C=C(O)C(=CC(C#N)=c2ccc(=C(C#N)C#N)cc2)c2ccccc21
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 fluorine atom.",O=C1C([NH2+]C2CC2)CCN1Cc1cccc(F)c1
BondNum,"The molecule consists of 10 single bonds, 1 rotatable bond, and 6 aromatic bonds.",Cc1ccc(N2CCCC([NH3+])C2)c(Cl)c1
FunctionalGroup,There is a molecule with and 1 sulfide group.,CC(C)(C)c1coc(C2CCC[NH+](Cc3nnc(C4CC4)s3)C2)n1
AddComponent,Add a hydroxyl to the molecule CC(C(=O)c1cccc(Br)c1)C(=O)c1cn(C)nn1.,Cn1cc(C(=O)C(C)(O)C(=O)c2cccc(Br)c2)nn1
SubComponent,Modify the molecule halo by substituting a O=C([O-])COc1ccc(Cc2cn(C(c3ccccc3)c3ccccc3)c3cc(Cl)ccc23)c(Cl)c1 with a nitrile.,N#Cc1ccc2c(Cc3ccc(OCC(=O)[O-])cc3Cl)cn(C(c3ccccc3)c3ccccc3)c2c1
DelComponent,Remove a hydroxyl from the molecule CCCC[NH2+]C1C=CC(O)C(O)C1O.,CCCC[NH2+]C1C=CC(O)CC1O
LogP,Please modify the molecule Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cccc(Cl)c2C)CC1 to increase its LogP value.,CC(=O)c1ccc(CNC(=O)c2ccc(C)c(NC(=O)C(C)[NH+]3CCC(C(=O)Nc4cccc(Cl)c4C)CC3)c2)cc1
MR,Please optimize the molecule CC(C(=O)Nc1cccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)c1)n1cccn1 to have a higher MR value.,CC(C(=O)Nc1cccc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1)n1cccn1
QED,Modify the molecule COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 to have a higher QED value.,COS(=O)(=O)N(CCCN1CCCC1=O)Cc1cc2c(C)cc(C)cc2[nH]c1=O
AtomNum,"The molecule consists of 14 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCN(C)C(=O)CCN1C(=O)COc2ccccc21
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 1 triple bond, and 1 rotatable bond.",CC1CCC(C)N(C(=O)C(C)C#N)C1
FunctionalGroup,"Please generate a molecule with 1 nitro group, and 2 halo groups.",O=C([O-])C(F)(Br)[N+](=O)[O-]
AddComponent,Please add a benzene ring to the molecule Cc1ccnc(N2C[NH2+][NH2+]C2)c1.,Cc1ccnc(N2C[NH2+][NH2+]C2)c1-c1ccccc1
SubComponent,Please substitute a halo in the molecule Cn1cc(C(=O)[O-])c2c(Br)cccc21 with a aldehyde.,CC(=O)c1cccc2c1c(C(=O)[O-])cn2C
DelComponent,Modify the molecule halo by removing a [NH3+]CCn1c(-c2ccncc2)nc2cc(F)ccc21.,[NH3+]CCn1c(-c2ccncc2)nc2ccccc21
LogP,Please optimize the molecule COc1cnn(C(C)C)c1C(=O)Cc1ccc(C)c(C)c1 to have a lower LogP value.,COc1cnn(C(C)C)c1C(=O)Cc1ccc(CO)c(C)c1
MR,Please optimize the molecule O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 to have a lower MR value.,O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3ccccc3Cl)nc2c1
QED,Modify the molecule O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccccc1Cl to have a higher QED value.,O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccccc1
AtomNum,"The molecule consists of 10 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CNC(=O)Oc1c(C)ncc(CO)c1C
BondNum,"There is a molecule with 11 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccccc1OCCC1=CC[NH2+]CC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",COC(C(=O)NC(C[NH3+])C1CCCC1)c1ccccc1
AddComponent,Please add a hydroxyl to the molecule CCc1nc2c(cnn2-c2ccccc2)c(=O)n1CCOC.,COCCn1c(C(C)O)nc2c(cnn2-c2ccccc2)c1=O
SubComponent,Modify the molecule hydroxyl by substituting a O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(SC(F)F)cc1 with a carboxyl.,O=C(NCCC[NH+]1CCC(C(=O)[OH])CC1)c1ccc(SC(F)F)cc1
DelComponent,Please remove a amide from the molecule CCN(CC)C(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3cc(C(=O)NC(C)C)ccc3C)CC2)c1C.,CCN(CC)C(=O)c1cccc(NC(=O)C[NH+]2CCC(CCC(=O)Nc3cc(C(=O)NC(C)C)ccc3C)C2)c1C
LogP,Optimize the molecule C=CCN(Cc1ccccc1)C(=O)C1C2C(=O)N(C(C)CO)C(C(=O)N(CC=C)C(C)(C)CC(C)(C)C)C23CCC1(CC)O3 to have a higher LogP value.,C=CCN(Cc1ccccc1)C(=O)C1C2C(=O)N(C(C)CC(=O)[OH])C(C(=O)N(CC=C)C(C)(C)CC(C)(C)C)C23CCC1(CC)O3
MR,Optimize the molecule COCC1(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)CC[NH2+]CC1 to have a lower MR value.,COCC1(C(=O)NCN(C(C)=O)C2CC2)CC[NH2+]CC1
QED,Please optimize the molecule CC(=NNc1ccc(F)cc1)c1ccccc1F to have a lower QED value.,CC(=NNc1ccc(O)cc1)c1ccccc1F
AtomNum,"There is a molecule with 17 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(N)ccc23)c1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccc(N(C)C)cc3)c12
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 nitrile group.",N#Cc1cccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c1
AddComponent,Please add a benzene ring to the molecule O=C([O-])Cc1cccc(OCC(=O)N2CCCCC2)c1.,O=C([O-])Cc1cccc(OCC(=O)N2CCC(c3ccccc3)CC2)c1
SubComponent,Modify the molecule hydroxyl by substituting a COOC(OC)(C1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)CC1O)C(c1ccccc1)(c1ccccc1)c1ccccc1 with a carboxyl.,COOC(OC)(C1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)CC1C(=O)[OH])C(c1ccccc1)(c1ccccc1)c1ccccc1
DelComponent,Please remove a benzene ring from the molecule CCCc1ccccc1-n1c(CCl)nc2cc(Cl)ccc21.,CCCn1c(CCl)nc2cc(Cl)ccc21
LogP,Please optimize the molecule CC(C)=CC1C(C(=O)OCC=CCc2cccc(Cl)c2)C1(C)C to have a lower LogP value.,CC(C)=CC1(O)C(C(=O)OCC=CCc2cccc(Cl)c2)C1(C)C
MR,Please optimize the molecule O=C(Cc1c[nH]c2ccccc12)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 to have a lower MR value.,Fc1ccc2c(C3CCC(c4c[nH]c5ccccc45)C3)c[nH]c2c1
QED,Modify the molecule COC(=O)C([NH2+]CCN=[N+]=[N-])c1ccc(Br)s1 to decrease its QED value.,COC(=O)C([NH2+]CCN=[N+]=[N-])(c1ccccc1)c1ccc(Br)s1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",Nc1cccc(SCc2coc(-c3ccccc3)n2)c1
BondNum,"There is a molecule with 10 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCCCN(CC)c1ncnc(Cl)c1CO
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 2 halo groups, and 1 sulfone group.",CS(=O)(=O)N1CCC(C2CCN(C(=O)C(Cc3cc(Cl)c([O-])c(Cl)c3)OC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)CC2)CC1
AddComponent,Add a amine to the molecule OCCn1ccn2nc(-c3cnccn3)cc12.,Nc1cn2nc(-c3cnccn3)cc2n1CCO
SubComponent,Substitute a Cc1ccc(C(=O)N2CCC(O)(C[NH+](C)C)C2)s1 in the molecule hydroxyl with a nitro.,Cc1ccc(C(=O)N2CCC(C[NH+](C)C)(NO)C2)s1
DelComponent,Modify the molecule halo by removing a O=C(C1CCCCCCC1)N(CCCl)CC(F)F.,CCN(CC(F)F)C(=O)C1CCCCCCC1
LogP,Please modify the molecule CC[NH+](CC)CCOC(=O)C1CNc2c1c1cc(F)ccc1[nH]c2=O to decrease its LogP value.,CC[NH+](CC)CCOC(=O)C1CNc2c1c1cc(C#N)ccc1[nH]c2=O
MR,Optimize the molecule COc1cccc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)Nc4ccc(F)cc4)cc3C)CC2)c1 to have a higher MR value.,CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)Nc4cccc(OC)c4)CC3)c(C)c2)cc1
QED,Modify the molecule CCCC1(C[NH+](CC)C2CCCC2)CC[NH2+]C1 to decrease its QED value.,CCCC1(C[NH+](CC)C2(O)CCCC2)CC[NH2+]C1
AtomNum,"The molecule is composed of 23 carbon atoms, and 2 oxygen atoms.",C#CC(C=Cc1ccccc1)OC(=O)C1C(C=C2CCCC2)C1(C)C
BondNum,"The molecule contains 13 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",COc1ccc([N+](=O)[O-])cc1OCC(=O)N(C)Cc1ccc(SC)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, and 2 halo groups.",COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1
AddComponent,Modify the molecule O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2)C1CCC1 by adding a benzene ring.,O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc(C(F)(F)F)cc1-c1ccccc1)CC2)C1CCC1
SubComponent,Modify the molecule N#Cc1cccc(OCc2ccc(CC(=O)NN)cc2)c1 by substituting a nitrile with a halo.,NNC(=O)Cc1ccc(COc2cccc(F)c2)cc1
DelComponent,Please remove a CC(C[NH+]1CCC(c2ccc(Cl)cc2)CC1)C(C=O)Nc1nnc(-c2ccccc2)o1 from the molecule halo.,CC(C[NH+]1CCC(c2ccccc2)CC1)C(C=O)Nc1nnc(-c2ccccc2)o1
LogP,Please modify the molecule Nc1cc(N)c(Cl)c(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 to decrease its LogP value.,CC(=O)c1c(N)cc(N)cc1OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
MR,Optimize the molecule CCCNS(=O)(=O)N(CC)CC(C)C#N to have a higher MR value.,CCCNS(=O)(=O)N(CC)CC(C)S
QED,Modify the molecule CNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(C(=O)Nc4ccc(F)cc4)cc3)CC2)c1 to increase its QED value.,CNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)NC(=O)Nc3ccc(F)cc3)CC2)c1
AtomNum,"There is a molecule consisting of 26 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",Cc1cc(C(C)C)cc2c1N(C(=O)OC(C)(C)C)C1(C)CCCC3CCCCC231
BondNum,"The molecule contains 12 single bonds, 3 double bonds, 1 rotatable bond, and 6 aromatic bonds.",O=C(N=C1CCCc2[nH]c(=O)ccc21)C1CCOC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",O=C(NC1CCC(c2ccccc2)CC1)N1CCC(C(=O)N2CCCC2)C1
AddComponent,Modify the molecule O=C(NC1CCN(C(=O)NCc2ccccc2F)CC1)c1cncc(Br)c1 by adding a benzene ring.,O=C(NC1CCN(C(=O)NCc2ccccc2F)CC1)c1cncc(Br)c1-c1ccccc1
SubComponent,Please substitute a Fc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)o1 in the molecule halo with a aldehyde.,CC(=O)c1ccccc1CSc1nnc(COc2ccc(Cl)cc2)o1
DelComponent,Remove a Cc1cc(I)cc(C[NH2+]CCN(C)C)c1O from the molecule halo.,Cc1cccc(C[NH2+]CCN(C)C)c1O
LogP,Please optimize the molecule O=[N+]([O-])OCCBr to have a lower LogP value.,O=[N+]([O-])OCC(O)Br
MR,Optimize the molecule Cc1ccc(Cc2nc(Cl)cc(C(C)(C)C)n2)cc1 to have a higher MR value.,CC(=O)c1cc(C(C)(C)C)nc(Cc2ccc(C)cc2)n1
QED,Modify the molecule CC(O)C#Cc1ccc([O-])c2c1CC1CC3C([NH+](C)C)C(=O)C(C(N)=O)C(=O)C3(O)C(=O)C1C2=O to increase its QED value.,CC(O)C#Cc1ccc([O-])c2c1CC1CC3C([NH+](C)C)C(=O)C(=O)C3(O)C(=O)C1C2=O
AtomNum,"The molecule contains 15 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1ccc2c(c1)nc(-c1ccncc1)n2CC(=O)[O-]
BondNum,"Please generate a molecule with 17 single bonds, 3 double bonds, 7 rotatable bonds, and 5 aromatic bonds.",CCC(CC)OC1C=C(C(=O)c2cccs2)CC(NC(C)=O)C1C
FunctionalGroup,Please generate a molecule composed of and 1 sulfide group.,Cc1cscc1-c1noc(C2[NH2+]CC3CCCC32)n1
AddComponent,Add a carboxyl to the molecule COc1cc2c(nc1OC)c(-c1cc3c(C[NH2+]C4CC[NH+](C)CC4)ccnc3[nH]1)cn2C.,COc1cc2c(nc1OC)c(-c1cc3c(C[NH2+]C4CC[NH+](C)CC4C(=O)O)ccnc3[nH]1)cn2C
SubComponent,Modify the molecule halo by substituting a O=C([O-])c1cc(F)cc(Cn2ccc(C(F)(F)F)n2)c1 with a nitro.,ONc1cc(Cn2ccc(C(F)(F)F)n2)cc(C(=O)[O-])c1
DelComponent,Please remove a benzene ring from the molecule CCCCCCCCCCCCCCCCCCOc1cc(OCCCOc2ccccc2)cc(N(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)c1.,CCCCCCCCCCCCCCCCCCOc1cc(OCCCOc2ccccc2)cc(N(CC(=O)OC)CC(=O)OCc2ccccc2)c1
LogP,Modify the molecule CCCCC[NH2+]CC1CCC1 to increase its LogP value.,CCCC(C[NH2+]CC1CCC1)c1ccccc1
MR,Modify the molecule CC1C[NH+](C)CCN1C(=O)C=Cc1cnn(-c2ccccc2)c1 to have a higher MR value.,CC1C[NH+](C)CCN1C(=O)C=Cc1cnn(-c2cccc(O)c2)c1
QED,Modify the molecule COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2)c2ccccc2)cc1 to increase its QED value.,COc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2-n2ccnc2)cc1
AtomNum,"There is a molecule with 58 carbon atoms, and 4 nitrogen atoms.",N#Cc1ccc(-c2c3ccccc3c(-c3ccc(C#N)cc3)c3c2nc(-c2ccc(C=Cc4ccc(C(c5ccccc5)c5ccccc5)cc4)cc2)n3-c2ccccc2)cc1
BondNum,"The molecule is composed of 20 single bonds, 2 double bonds, and 2 rotatable bonds.",O=C(NCC1=CCOCC1)N1CCCC2(CCCC2)C1
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 hydroxyl groups, and 1 amide group.",Cc1cc2cccc(C)c2nc1-c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O
AddComponent,Modify the molecule CS(=O)(=O)N(c1cccc(CC2C[NH+](Cc3ccc(Cl)c(Cl)c3)CCO2)c1)S(C)(=O)=O by adding a hydroxyl.,CS(=O)(=O)N(c1cccc(C(O)C2C[NH+](Cc3ccc(Cl)c(Cl)c3)CCO2)c1)S(C)(=O)=O
SubComponent,Substitute a N#Cc1cc(Br)c(=O)n2c1CSCC2 in the molecule nitrile with a aldehyde.,CC(=O)c1cc(Br)c(=O)n2c1CSCC2
DelComponent,Remove a hydroxyl from the molecule CC1=C(c2ccc(O)cc2F)C(c2ccc(OCC[NH+]3CC(CF)C3)cc2)Oc2cc(O)ccc21.,CC1=C(c2ccccc2F)C(c2ccc(OCC[NH+]3CC(CF)C3)cc2)Oc2cc(O)ccc21
LogP,Optimize the molecule O=C(CCc1ccccc1O)N1CCCC1Cc1ccccc1 to have a lower LogP value.,CC1CCCN1C(=O)CCc1ccccc1O
MR,Please optimize the molecule Cc1ccc(C2=NN(C(=O)C[NH+]3CCN(c4ccccc4)CC3)C(c3ccco3)C2)cc1 to have a higher MR value.,Cc1ccc(C2=NN(C(=O)C[NH+]3CCN(c4ccccc4)CC3)C(N)(c3ccco3)C2)cc1
QED,Modify the molecule CCCC1CN(C(=O)c2c[nH]c(C)cc2=O)CC1NS(C)(=O)=O to have a lower QED value.,CCCC1CN(C(=O)c2c[nH]c(CO)cc2=O)CC1NS(C)(=O)=O
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CCn1cnnc1CNC(=O)c1ccccc1CC[NH3+]
BondNum,"Please generate a molecule composed of 5 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",O=C(C=Cc1ccc(F)cc1)c1cc2cc(Br)ccc2o1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ester group, and 1 amide group.",COC(=O)c1ccc(CCNC(=O)CCc2ncc(-c3ccccc3)o2)cc1
AddComponent,Add a hydroxyl to the molecule Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc2c1C(O)=C2.,Cc1cc(OCC2(C)COC2)cc(C)c1-c1c(O)ccc2c1C(O)=C2
SubComponent,Please substitute a halo in the molecule Cc1cc(F)cc2c(NC3CC3)c3c([nH+]c12)CCOC3 with a nitro.,Cc1cc(NO)cc2c(NC3CC3)c3c([nH+]c12)CCOC3
DelComponent,Modify the molecule amide by removing a O=C(Nc1cccc(C(F)(F)F)c1)C1CCCN(c2ccc(-c3ccccc3)nn2)C1.,FC(F)(F)c1cccc(C2CCN(c3ccc(-c4ccccc4)nn3)C2)c1
LogP,Optimize the molecule Nc1ncnc2c1C[NH2+]CC2 to have a higher LogP value.,Nc1nc(-c2ccccc2)nc2c1C[NH2+]CC2
MR,Modify the molecule CNC(=O)c1nnc(-c2ccccc2N)s1 to increase its MR value.,CNC(=O)c1nnc(-c2cc(CC=O)ccc2N)s1
QED,Optimize the molecule CCC([NH3+])c1cccc(S(=O)(=O)N2C(C)CCC2CC)c1 to have a lower QED value.,CCC1CCC(C)N1S(=O)(=O)C([NH3+])CC
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",CCCC1CCCCN1S(=O)(=O)c1cccc(CCl)c1C
BondNum,"The molecule contains 13 single bonds, 1 double bond, 2 triple bonds, 3 rotatable bonds, and 27 aromatic bonds.",Cn1c(=NC#N)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cc(C(F)(F)F)ccc4F)ccc3ncc21
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",CC(C[NH3+])CNC(=O)C(C)NS(=O)(=O)c1ccc(Cl)cc1
AddComponent,Add a amine to the molecule CC(C)(C)C1=CCN(C(=O)NCc2ccccc2-n2ccnc2)CC1.,CC(C)(C)C1=CCN(C(=O)NC(N)c2ccccc2-n2ccnc2)CC1
SubComponent,Modify the molecule CC(=O)N(CC(=O)NCc1ccccc1)c1cc(Cl)cc(Cl)c1 by substituting a halo with a hydroxyl.,CC(=O)N(CC(=O)NCc1ccccc1)c1cc(O)cc(Cl)c1
DelComponent,Modify the molecule amide by removing a CC(=O)N1CC[NH+](C)C(c2nnc3ccc(C(=O)NC4CCCCCC4)cn23)C1.,C[NH+]1CCCC1c1nnc2ccc(C(=O)NC3CCCCCC3)cn12
LogP,Please optimize the molecule Cc1nn(Cc2cccc(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)c2)c(C)c1Cl to have a higher LogP value.,Cc1nn(Cc2cccc(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4C#N)c2)c(C)c1Cl
MR,Please modify the molecule O=C(c1cccc(CN2C(=O)c3ccccc3C2=O)c1)N1CCCC2(CC2)C1 to increase its MR value.,O=C(c1cccc(CN2C(=O)c3ccccc3C2=O)c1)N1CC(c2ccccc2)CC2(CC2)C1
QED,Modify the molecule CN1C(c2cccc(C(F)(F)F)c2)=C(c2ccccc2)c2cccc3cccc1c23 to have a higher QED value.,CN1C(c2cccc(C(F)F)c2)=C(c2ccccc2)c2cccc3cccc1c23
AtomNum,"The molecule is composed of 17 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",CC1C2(C)OC(=N)C1(C#N)C(C#N)(C#N)C(c1cccc([N+](=O)[O-])c1)O2
BondNum,"Please generate a molecule consisting 6 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",Cc1nc2cccc(C(=O)[O-])c2n1Cc1ccccc1F
FunctionalGroup,"Please generate a molecule with 4 benzene ring groups, and 2 amine groups.",CCCCCCCC(C)(c1ccc(Cc2ccc(N)cc2C)cc1)c1ccc(Cc2ccc(N)cc2C)cc1
AddComponent,Modify the molecule CC(=O)Cc1cccc(C(=O)NC(C(=O)N2CCC(O)(c3ccc(Cl)cc3)C(C)(C)C2)C(C)C)n1 by adding a benzene ring.,CC(=O)Cc1ccc(-c2ccccc2)c(C(=O)NC(C(=O)N2CCC(O)(c3ccc(Cl)cc3)C(C)(C)C2)C(C)C)n1
SubComponent,Substitute a CCC(C)CSCc1cc(N)cc(Br)c1 in the molecule halo with a thiol.,CCC(C)CSCc1cc(N)cc(S)c1
DelComponent,Remove a COc1ccc(Br)c(NC(=O)C2CSc3ccccc32)c1 from the molecule halo.,COc1cccc(NC(=O)C2CSc3ccccc32)c1
LogP,Please optimize the molecule CCC1NC(=O)C(NC(=O)c2ccc(OCc3ccccc3F)cc2)CCCCNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC1=O to have a lower LogP value.,CCC1NC(=O)C(NC(=O)c2ccc(OCc3ccccc3O)cc2)CCCCNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC1=O
MR,Please optimize the molecule Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cccc1C(=O)NC1CCCCC1C to have a higher MR value.,Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(C(F)(F)F)c3)(c3ccccc3)CC2)cccc1C(=O)NC1CCCCC1C
QED,Modify the molecule COC(=O)C1C[NH+](CC(=O)Nc2ccccc2)CC1C to decrease its QED value.,COC(=O)C1C[NH+](c2ccccc2)CC1C
AtomNum,"The molecule is composed of 16 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)ccc21
BondNum,"There is a molecule composed of 5 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",CC(C)=C(C)c1cccc(O)c1
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,CCOCC(NC(=O)c1ccn(C(C)C)n1)C(C)C
AddComponent,Modify the molecule COCCNC(=O)c1cn(C)c2ccc(F)cc2c1=O by adding a nitrile.,COCCNC(=O)c1cn(C)c2c(C#N)cc(F)cc2c1=O
SubComponent,Substitute a halo in the molecule CONCc1cccc2n[nH]c(Cl)c12 with a hydroxyl.,CONCc1cccc2n[nH]c(O)c12
DelComponent,Please remove a CCOc1cc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc(F)cc1 from the molecule amide.,CCOc1cc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C(C)C(C)(CC)N=3)ccc1OCc1ccc(F)cc1
LogP,Modify the molecule CC[NH2+]Cc1cccc(OCc2cc(F)ccc2Cl)c1 to decrease its LogP value.,CC[NH2+]Cc1cccc(OCc2cc(C#N)ccc2Cl)c1
MR,Please modify the molecule CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)C(SCCC[NH+]2CCOCC2)C(=O)N(C)C(C(C)CC)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C to decrease its MR value.,CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)C(SCCC[NH+]2CCOCC2)C(=O)N(C)C(C(C)CC)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(=O)N(C)CC(CC(C)C)(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C
QED,Modify the molecule CC(C)(C)OC(=O)N1CC=C(c2cnc(COc3ccc(-n4cncn4)cc3)cn2)CC1 to increase its QED value.,CC(C)(C)OC(=O)N1CC=C(c2cnc(COc3ccc(-n4cncn4)cc3)cn2)C(O)C1
AtomNum,"There is a molecule with 10 carbon atoms, 2 nitrogen atoms, and 1 chlorine atom.",Cc1c[nH+]ccc1NCC(C)CCl
BondNum,"Please generate a molecule composed of 27 single bonds, 3 double bonds, 12 rotatable bonds, and 18 aromatic bonds.",CCCN1C(=O)C(CCCCNC(=O)N(c2ccccc2)c2ccccc2)NC(=O)C12CC[NH+](CCc1ccccc1)CC2
FunctionalGroup,There is a molecule consisting of and 1 amide group.,CC(C)CNC(=O)N1CCCC(CC(=O)N2CC3C[NH2+]CC3C2)C1
AddComponent,Please add a hydroxyl to the molecule C=C1Oc2cc3cc(C)ccc3cc2C=C1C#N.,C=C1Oc2cc3cc(C)ccc3c(O)c2C=C1C#N
SubComponent,Modify the molecule halo by substituting a CCNC(NC1CCCC(S(=O)CC)C1)=[NH+]CCSCc1ccccc1F with a aldehyde.,CC(=O)c1ccccc1CSCC[NH+]=C(NCC)NC1CCCC(S(=O)CC)C1
DelComponent,Please remove a amide from the molecule CC1CCC(CO)CN1C(=O)C1CC(=O)N(Cc2ccccc2)C1.,CC(Cc1ccccc1)C(=O)N1CC(CO)CCC1C
LogP,Modify the molecule Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc4c(c3)OC(C[NH3+])C4)nc21 to have a lower LogP value.,Cn1c(=O)c(-c2c(Cl)cccc2C#N)cc2cnc(Nc3ccc4c(c3)OC(C[NH3+])C4)nc21
MR,Modify the molecule CCC1CCC(C[NH2+]C)C(Cc2c(Cl)c(C)nn2CC)C1 to have a higher MR value.,CCC1CCC(C[NH2+]C)C(Cc2c(NO)c(C)nn2CC)C1
QED,Please optimize the molecule Cc1cc(C(=O)N(C)C)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(F)c(NC(=O)c3ccccc3F)c2)CC1 to have a lower QED value.,Cc1cc(C(=O)N(C)C)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(O)c(NC(=O)c3ccccc3F)c2)CC1
AtomNum,"The molecule consists of 12 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CCOC(=O)c1coc(N2CCCN(C)C(=O)C2)n1
BondNum,"Please generate a molecule composed of 15 single bonds, 2 double bonds, 1 triple bond, 8 rotatable bonds, and 12 aromatic bonds.",CCCN(CCC)C(=O)c1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 4 halo groups.",Cc1c(OCc2ccc(Cl)cc2)c(C(F)(F)F)nn1-c1ccccc1
AddComponent,Modify the molecule NS(=O)(=O)c1ccc(OCC2Cc3ccccc32)c(Cl)c1 by adding a thiol.,NS(=O)(=O)c1ccc(OCC2Cc3cccc(S)c32)c(Cl)c1
SubComponent,Modify the molecule hydroxyl by substituting a [N-]=[N+]=NCc1ccccc1C1OC(c2ccc(OCCCO)cc2)=NC1(Cc1ccccc1)C(=O)NNCCCc1ccccc1 with a nitro.,[N-]=[N+]=NCc1ccccc1C1OC(c2ccc(OCCCNO)cc2)=NC1(Cc1ccccc1)C(=O)NNCCCc1ccccc1
DelComponent,Remove a Bc1ccc(OCC(C)COc2ccc(Bc3ccc(OBC4CO4)cc3)cc2)cc1 from the molecule benzene ring.,Bc1ccc(OCC(C)COBc2ccc(OBC3CO3)cc2)cc1
LogP,Optimize the molecule Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)s5)s4)c(-c4sc(C)cc4-c4ccc(-c5ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)s5)s4)s3)s2)s1 to have a lower LogP value.,Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C#C[Si](C(C)C)(C(C)C)C(C)CN)s5)s4)c(-c4sc(C)cc4-c4ccc(-c5ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)s5)s4)s3)s2)s1
MR,Please optimize the molecule CN(C)C(=O)CN1C(=O)C2CC=C(Cl)CC2C1=O to have a higher MR value.,CN(CO)C(=O)CN1C(=O)C2CC=C(Cl)CC2C1=O
QED,Modify the molecule O=C(NCc1ccco1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 to have a lower QED value.,O=C(NCc1ccco1)N1CCN(S(=O)(=O)c2cc(S)ccc2Cl)CC1
AtomNum,"There is a molecule composed of 17 carbon atoms, and 9 oxygen atoms.",CCCc1c(C(=O)Oc2cc(C(=O)[O-])cc(O)c2O)cc(O)c(O)c1O
BondNum,"Please generate a molecule composed of 9 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C(C=Cc1ccccc1)CC(O)C(F)(F)F
FunctionalGroup,Please generate a molecule with and 1 sulfoxide group.,C[NH2+]Cc1cncn1C1CCS(=O)CC1
AddComponent,Modify the molecule C[NH2+]C1CCN(C(C)C(=O)NCC(C)C)C1 by adding a hydroxyl.,C[NH2+]C1CCN(C(C)C(=O)NCC(C)(C)O)C1
SubComponent,Please substitute a nitrile in the molecule CCN(CC(C)C#N)C(=O)c1ccc(Br)s1 with a aldehyde.,CC(=O)C(C)CN(CC)C(=O)c1ccc(Br)s1
DelComponent,Remove a benzene ring from the molecule c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc(-n8c9ccccc9c9ccc(-c%10cccc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)c%11)c%10)cc98)cc7)cc6)c5c4)c3)c2)cc1.,c1ccc(-c2cccc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc(-n8c9ccccc9c9ccc(-c%10cccc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)c%11)c%10)cc98)cc7)cc6)c5c4)c3)c2)cc1
LogP,Modify the molecule COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(SC#N)c1O to have a higher LogP value.,COc1c(O)c(SC#N)cc(C=C(C#N)c2nc3ccccc3[nH]2)c1-c1ccccc1
MR,Please optimize the molecule CC(=O)c1cccc(N2CC[NH2+]C(CO)C2=O)c1 to have a higher MR value.,CC(=O)c1cccc(N2CC[NH2+]C(CC#N)C2=O)c1
QED,Modify the molecule COc1cccc(-c2cc(C3(C(=O)Nc4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)CC3)no2)c1 to decrease its QED value.,COc1cc(O)cc(-c2cc(C3(C(=O)Nc4ccc(S(=O)(=O)Nc5onc(C)c5C)cc4)CC3)no2)c1
AtomNum,"The molecule consists of 13 carbon atoms, 4 oxygen atoms, and 1 sulfur atom.",CC=CC1=C(S(=O)(=O)c2ccccc2)CC(=O)O1
BondNum,"Please generate a molecule with 21 single bonds, 2 double bonds, 11 rotatable bonds, and 12 aromatic bonds.",CCCCCCCC1CCC(c2ccc(C(=O)Oc3ccc(OC(=O)CC)cc3)cc2)CC1
FunctionalGroup,"The molecule consists of 1 amide group, and 1 sulfide group.",O=C(C[NH+]1CC(c2nc(-c3cccs3)no2)C1)Nc1cccnc1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(N(CC(C)C)CC(C)C)c(CCl)c1.,Cc1ccc(N(CC(C)C)CC(C)C)c(C(Cl)c2ccccc2)c1
SubComponent,Modify the molecule N#Cc1c(N)nsc1NCc1ccccc1C(F)(F)F by substituting a halo with a hydroxyl.,N#Cc1c(N)nsc1NCc1ccccc1C(O)(F)F
DelComponent,Please remove a benzene ring from the molecule CCCNc1nccc(-c2nc(C3OCC(C)(C(=O)NC4CC4)CO3)oc2-c2ccc(F)cc2)n1.,CCCNc1nccc(-c2nc(C3OCC(C)(C(=O)NC4CC4)CO3)oc2F)n1
LogP,Modify the molecule CNc1cc(-c2cncc(-c3cccc(C(=O)N4CCCC4)c3)c2)nc(-c2ccccn2)n1 to have a higher LogP value.,CNc1cc(-c2cncc(-c3cc(C(=O)N4CCCC4)ccc3-c3ccccc3)c2)nc(-c2ccccn2)n1
MR,Optimize the molecule CCOC(=O)c1ccc(N2C(=O)C(CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1 to have a higher MR value.,CC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCNC(C)=O)cc1
QED,Please modify the molecule Cc1ccc(C)c(SCC(=O)Nc2cccc(NC(N)=O)c2)c1 to increase its QED value.,Cc1ccc(C)c(Sc2cccc(NC(N)=O)c2)c1
AtomNum,"There is a molecule consisting of 38 carbon atoms, and 7 nitrogen atoms.",c1ccc(-c2ccccc2-n2nc3cc(-c4cccc(-c5ccccn5)n4)cc(-c4cccc(-c5ccccn5)n4)c3n2)cc1
BondNum,"There is a molecule with 31 single bonds, 5 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CNC(=O)c1cc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)N4CCC(C)CC4)ccc3Cl)CC2)ccc1Br
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 halo group.",CCC[NH2+]C(C)c1ccc(OCC2CC2)cc1Cl
AddComponent,Add a hydroxyl to the molecule CCC[NH2+]C1CCCCC1Cc1[nH+]ccn1CC.,CCC[NH2+]C1CCCCC1Cc1[nH+]ccn1CCO
SubComponent,Substitute a halo in the molecule CCOc1n[nH]c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 with a aldehyde.,CC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1nc(OCC)n[nH]1
DelComponent,Modify the molecule halo by removing a CC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1.,CC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1
LogP,Modify the molecule CCN(CC1(C=O)CCCC(C)C1)c1ccc(F)cc1 to decrease its LogP value.,CCN(CC1(C=O)CCCC(C)C1)c1ccc(F)c(N)c1
MR,Modify the molecule C[P+]1(O)OCC(c2ccc(C(=O)O)cc2)CO1 to increase its MR value.,C[P+]1(S)OCC(c2ccc(C(=O)O)cc2)CO1
QED,Please modify the molecule CSC1=[NH+]C2(CC(c3ccc(C)cc3)c3c(C)cc(OC(C)=O)cc3O2)CC(C)(C)N1 to decrease its QED value.,CSC1=[NH+]C2(CC(c3ccc(C)cc3)c3c(C)cc(OC(C)=O)cc3O2)C(c2ccccc2)C(C)(C)N1
AtomNum,"The molecule is composed of 10 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC1(C)C(O)CC1NC(=O)n1ccnc1
BondNum,"The molecule has 13 single bonds, 2 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",CC(C)N1CC(C(c2ccccc2)c2cccc(F)c2)n2ncc(=O)c([O-])c2C1=O
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 2 amide groups.",C#Cc1ccc(C(C(=O)Nc2ccc(OC)cc2)N(CCCC)C(=O)C(C)NC(=O)OC(C)(C)C)cc1
AddComponent,Modify the molecule COc1ccc(C(=O)Nc2cccc(CN(CCC[NH3+])C(=O)C3CCCCC3)c2)cc1 by adding a carboxyl.,[NH3+]CCCN(Cc1cccc(NC(=O)c2ccc(OCC(=O)O)cc2)c1)C(=O)C1CCCCC1
SubComponent,Modify the molecule CC(C)NCC(C)S(=O)(=O)Nc1ccc(Cl)cc1 by substituting a halo with a carboxyl.,CC(C)NCC(C)S(=O)(=O)Nc1ccc(C(=O)[OH])cc1
DelComponent,Please remove a halo from the molecule Cc1c(CCC(=O)NC(C)C)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12.,Cc1c(CCC(=O)NC(C)C)c(=O)oc2cc3occ(-c4ccccc4)c3cc12
LogP,Modify the molecule CNc1cc(NCc2cccc3ccccc23)nc(N)n1 to have a higher LogP value.,Cc1cc(NCc2cccc3ccccc23)nc(N)n1
MR,Modify the molecule CCN(c1nc(N)ncc1C)C(C)C to have a lower MR value.,CCN(c1ncncc1C)C(C)C
QED,Optimize the molecule CC(O)C(C)Cc1c(F)ccc(Br)c1F to have a higher QED value.,CC(O)C(C)Cc1cccc(Br)c1F
AtomNum,"The molecule consists of 9 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCCNc1ncnc2scc(Cl)c12
BondNum,"Please generate a molecule consisting 6 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",COC(=O)c1nc(C)cc(-c2ccccc2)c1C
FunctionalGroup,The molecule contains and 1 sulfide group.,COC1CCCC(OCC[NH2+]Cc2cccs2)C1
AddComponent,Modify the molecule CC(C=O)=CCC12C(C)C3C(CCC1(C)C)C32 by adding a amine.,CC(C=O)=CCC12C(C)C3C(CCC1(C)CN)C32
SubComponent,Modify the molecule halo by substituting a Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1 with a thiol.,Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(S)cc3)CC2)c(C)c1
DelComponent,Please remove a COc1ccc(NC(=O)NC(=O)COC(=O)CC(NC(C)=O)c2cccs2)cc1 from the molecule amide.,COc1ccc(NC(=O)NC(=O)COC(=O)CCc2cccs2)cc1
LogP,Please modify the molecule OC1CCCC2C3=C4C(CC5CCCC6CCC(C(O)C3O)C4C65)C12 to decrease its LogP value.,O=CCC1C2CCCC3CCC4C(O)C(O)C5=C(C1C1C(O)CCCC51)C4C32
MR,Please modify the molecule O=C(Nc1ccc(OCC2CCCCO2)cc1)c1cncs1 to increase its MR value.,O=C(Nc1ccc(OCC2CCCC(c3ccccc3)O2)cc1)c1cncs1
QED,Modify the molecule CCCC(CC[NH3+])CCC(=O)NOCC to have a higher QED value.,CCCC(CC[NH3+])COCC
AtomNum,"There is a molecule consisting of 24 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, 1 chlorine atom, and 1 iodine atom.",O=C(CC1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1cccc(F)c1)Nc1ccc(I)cc1
BondNum,"Please generate a molecule with 10 single bonds, 8 rotatable bonds, and 11 aromatic bonds.",CC[NH2+]Cc1occc1COc1cccc(COC)c1
FunctionalGroup,"Please generate a molecule consisting 1 amine group, and 1 halo group.",CCC(CC)Cn1c(N)nc2cc(Cl)ccc21
AddComponent,Add a hydroxyl to the molecule CC(C)C(c1nc(C2CCCS2)no1)C(C)O.,CC(C)C(c1nc(C2CCCS2)no1)C(C)(O)O
SubComponent,Please substitute a halo in the molecule CC(NC(=O)C[NH+]1CCn2c(n[nH]c2=O)C1)c1ccc(Cl)cc1Cl with a nitrile.,CC(NC(=O)C[NH+]1CCn2c(n[nH]c2=O)C1)c1ccc(C#N)cc1Cl
DelComponent,Modify the molecule CN(Cc1ccc(F)cc1)c1cnc2nc(N)nc(N)c2n1 by removing a halo.,CN(Cc1ccccc1)c1cnc2nc(N)nc(N)c2n1
LogP,Modify the molecule [NH3+]CCNC(=O)C1N(C(=O)c2cccc(F)c2)CCCN1C(=O)c1ccc(Cl)cc1Cl to decrease its LogP value.,[NH3+]CCNC(=O)C1N(C(=O)c2cccc(NO)c2)CCCN1C(=O)c1ccc(Cl)cc1Cl
MR,Optimize the molecule CCC(C)C(NN)c1cc(Br)ccc1N to have a lower MR value.,CCC(C)C(NN)c1cc(C#N)ccc1N
QED,Modify the molecule CCCS(=O)Cc1cccc([N+](=O)[O-])c1C(=O)[O-] to decrease its QED value.,CCCS(=O)C(C(=O)[O-])[N+](=O)[O-]
AtomNum,"The molecule is composed of 20 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",C=CCCC(CC(C)C)N(C(=O)Nc1n[nH]c(=S)s1)C(=O)OCc1ccccc1
BondNum,"Please generate a molecule consisting 15 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CNC(=O)C1CCCC[NH+]1Cc1cc(C[NH3+])ccc1OC
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amine groups, 1 halo group, and 1 sulfone group.",Nc1cccc(Cl)c1S(=O)(=O)NC1CCOCC1
AddComponent,Modify the molecule Cc1c(Br)cc(C(=O)OC(C)CC(C)C)cc1S(=O)(=O)Cl by adding a hydroxyl.,CC(C)CC(C)OC(=O)c1cc(Br)c(CO)c(S(=O)(=O)Cl)c1
SubComponent,Please substitute a halo in the molecule CCCc1[nH]c(-c2ncc(Br)cc2Br)nc(=O)c1Br with a nitro.,CCCc1[nH]c(-c2ncc(NO)cc2Br)nc(=O)c1Br
DelComponent,Modify the molecule halo by removing a CCC(C)SCC([NH2+]C)c1c(Cl)ccc(F)c1F.,CCC(C)SCC([NH2+]C)c1cccc(F)c1F
LogP,Modify the molecule Cc1nc(N)nc(C)c1N=Nc1ccccc1Cl to have a lower LogP value.,Cc1nc(N)nc(C)c1N=Nc1ccccc1NO
MR,Please modify the molecule Cc1cc2c(cc1C)NC(C)C(O)C(=O)N2 to increase its MR value.,Cc1cc2c(c(O)c1C)NC(C)C(O)C(=O)N2
QED,Modify the molecule Cc1ccc(S(=O)(=O)N2CC(C(=O)[O-])=CCC2c2ccc(F)cc2)cc1 to decrease its QED value.,Cc1ccc(S(=O)(=O)N2CC(C(=O)[O-])=CCC2c2ccc(NO)cc2)cc1
AtomNum,"There is a molecule composed of 18 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",C=CC(=O)NCCCCOc1c(C)cccc1C(C)(C)C
BondNum,"The molecule contains 21 single bonds, and 6 rotatable bonds.",CCOC(OCC)C([NH3+])C1CCOC2(CCOCC2)C1
FunctionalGroup,Please generate a molecule with and 4 ester groups.,O=C(OCC1CO1)C1(C(=O)OCC2CO2)CCCC1(C(=O)OCC1CO1)C(=O)OCC1CO1
AddComponent,Please add a benzene ring to the molecule CC(=CC(=NCc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1)c1ccc(-c2ccccc2)cc1)c1cccc(-c2cccnc2)c1.,CC(=CC(=NCc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1)c1ccc(-c2ccccc2)cc1)c1cccc(-c2cncc(-c3ccccc3)c2)c1
SubComponent,Substitute a FC(F)(F)Cc1ccc2[nH+]c(Br)cn2c1 in the molecule halo with a nitrile.,N#CC(F)(F)Cc1ccc2[nH+]c(Br)cn2c1
DelComponent,Remove a benzene ring from the molecule CCCCCn1c(NC2CC[NH+](CCC(CN(C)C(=O)c3cc(-c4cn[nH]n4)ccc3OC)c3ccc(F)cc3)CC2)nc2ccccc21.,CCCCCn1c(NC2CC[NH+](CCC(F)CN(C)C(=O)c3cc(-c4cn[nH]n4)ccc3OC)CC2)nc2ccccc21
LogP,Optimize the molecule CCC(Sc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 to have a lower LogP value.,CCC(Sc1ccc(Cl)c(C(=O)O)c1)C(=O)N1CCc2ccccc21
MR,Please modify the molecule Cn1nc(C2CCC[NH2+]2)cc1-c1ccc(Br)cc1 to decrease its MR value.,Cn1nc(C2CCC[NH2+]2)cc1-c1ccc(O)cc1
QED,Modify the molecule Cc1ccc(Oc2ccc(F)cc2CO)c(C)c1 to have a lower QED value.,Cc1ccc(Oc2c(O)cc(F)cc2CO)c(C)c1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",[NH3+]C1CCCc2c1c(-c1ccccc1F)nn2CC(=O)[O-]
BondNum,"Please generate a molecule composed of 15 single bonds, 5 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",CCn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc2c1=O
FunctionalGroup,"The molecule consists of 1 amine group, and 1 sulfone group.",CCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3)C1
AddComponent,Add a benzene ring to the molecule O=C(Nc1ccc(N2CCCC2)c(F)c1)c1ccc(-n2cccn2)nc1.,O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cnc(-n2cccn2)c(-c2ccccc2)c1
SubComponent,Please substitute a halo in the molecule Cc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)Oc3ccc(F)cc3)n2)cc1 with a hydroxyl.,Cc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)Oc3ccc(O)cc3)n2)cc1
DelComponent,Remove a CCCCc1ccc(NC(=O)CSc2nc(=O)cc(-c3ccc(OC)cc3)[nH]2)cc1 from the molecule benzene ring.,CCCCNC(=O)CSc1nc(=O)cc(-c2ccc(OC)cc2)[nH]1
LogP,Please optimize the molecule CCC(C)(C)NC(=O)CN(CC1CC1)CC1CCC[NH2+]1 to have a higher LogP value.,CCC(C)(C)N(CC1CC1)CC1CCC[NH2+]1
MR,Modify the molecule C[NH2+]C(Cc1cccc(OC)c1)C1CCC(C)O1 to have a lower MR value.,C[NH2+]C(COC)C1CCC(C)O1
QED,Please modify the molecule Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)COCCCOCCCCCOc2ccc(N3C(=O)N(c4ccccc4)C(=O)C3(C)C)cc2)C(C)(C)C)cc1 to decrease its QED value.,Cc1ncsc1-c1ccc(CNC(=O)C2CC(S)CN2C(=O)C(NC(=O)COCCCOCCCCCOc2ccc(N3C(=O)N(c4ccccc4)C(=O)C3(C)C)cc2)C(C)(C)C)cc1
AtomNum,"The molecule contains 13 carbon atoms, 3 nitrogen atoms, and 1 bromine atom.",Cc1ccc(N)c(Nc2cccc(Br)c2C)n1
BondNum,"The molecule contains 6 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(OC(=O)N(C)c2ccccc2)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 ketone groups, 1 thioether group, and 1 sulfide group.",COc1ccc(-n2c(SC(C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)nnc2-c2ccncc2)cc1
AddComponent,Add a hydroxyl to the molecule O=C([O-])C(NC(=O)N1CCC2(CCCC2)CC1)C1CC1.,O=C([O-])C(NC(=O)N1CCC2(CCCC2)C(O)C1)C1CC1
SubComponent,Please substitute a hydroxyl in the molecule CCC(CO)(CO)Nc1nc2nc(N3CC[NH2+]CC3)nc(N3CCCC3)c2nc1Cl with a carboxyl.,CCC(CO)(CC(=O)[OH])Nc1nc2nc(N3CC[NH2+]CC3)nc(N3CCCC3)c2nc1Cl
DelComponent,Remove a benzene ring from the molecule COC(=O)c1ccc(C(C)(O)c2cc(C)ccc2C)o1.,CCC(C)(O)c1ccc(C(=O)OC)o1
LogP,Optimize the molecule COC(=O)C1CCC(OC(C)=O)C(C#N)N1 to have a higher LogP value.,COC(=O)C1CCC(OC(C)=O)C1C#N
MR,Optimize the molecule Cc1ccc(NC(=O)COc2ccc(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1C to have a lower MR value.,Cc1ccc(NC(=O)COc2ccc(C=C(NO)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)cc1C
QED,Modify the molecule CC#CC12OC(=O)C=C(C)C1(OCOCc1ccccc1)CCC(C)C2OCOCc1ccccc1 to have a higher QED value.,CC#CC12OC(=O)C=C(C)C1(OCOCc1ccccc1)CCC(C)C2OCOCc1ccccc1O
AtomNum,"The molecule is composed of 17 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 3 fluorine atoms, and 3 chlorine atoms.",Oc1cc(Cl)c(C2=[NH+]CC(c3cn4cc(C(F)(F)F)cc(Cl)c4[nH+]3)=N2)cc1Cl
BondNum,"The molecule consists of 15 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 halo group.",O=C(CC[NH+]1CCCCCC1)Nc1ccccc1Cl
AddComponent,Modify the molecule COC1=C2c3cc(OC)c(CO)cc3OCC2Oc2c1ccc1c2CC(OS(=O)(=O)c2ccc(C)cc2)C(C)(C)O1 by adding a aldehyde.,COC1=C2c3cc(OC)c(CO)cc3OCC2Oc2c3c(cc(CC=O)c21)OC(C)(C)C(OS(=O)(=O)c1ccc(C)cc1)C3
SubComponent,Modify the molecule halo by substituting a CCOCCCn1nc(NC(=O)c2cc(O)cc(F)c2)nc1C(F)(F)F with a carboxyl.,CCOCCCn1nc(NC(=O)c2cc(O)cc(C(=O)[OH])c2)nc1C(F)(F)F
DelComponent,Remove a hydroxyl from the molecule C[NH+](C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(=O)C3C(=O)c4c(ccc(NC(=O)C[NH2+]CC5CCC5)c4[O-])CC3CC12.,C[NH+](C)C1C(=O)C(C(N)=O)C(=O)C2C(=O)C3C(=O)c4c(ccc(NC(=O)C[NH2+]CC5CCC5)c4[O-])CC3CC21
LogP,Modify the molecule [NH3+]CCOc1ccc(-n2cncc2-c2ccccc2)cc1 to decrease its LogP value.,NC(C[NH3+])Oc1ccc(-n2cncc2-c2ccccc2)cc1
MR,Please modify the molecule COC(=O)c1cc(NC(=O)CCC2CC[NH2+]C2)c(OC)c(OC)c1 to decrease its MR value.,COC(=O)c1cc(CC2CC[NH2+]C2)c(OC)c(OC)c1
QED,Modify the molecule OC(C[NH2+]C1CCOC1)c1ccc(OC(F)F)cc1 to increase its QED value.,FC(F)Oc1ccc(CC[NH2+]C2CCOC2)cc1
AtomNum,"The molecule consists of 19 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCCC[NH+](C=C(C#N)C(=O)NCCc1ccc(O)cc1)CCC
BondNum,"The molecule has 16 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccc(OC)c(CNC(=O)N2CCCC(C(=O)[O-])C2)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 3 halo groups.",CC(C)C([NH3+])c1cc(Cl)cc(Cl)c1Cl
AddComponent,Please add a carboxyl to the molecule CNC(C)(C#N)CN1CCN(C)c2ccccc21.,CNC(C)(C#N)CN1CCN(C)c2c(C(=O)O)cccc21
SubComponent,Substitute a halo in the molecule COc1ccc(-c2[nH]c(OCCN3CCC(F)(F)C3)nc3ncc(C#N)c2-3)c(Cl)c1OC with a nitro.,COc1ccc(-c2[nH]c(OCCN3CCC(F)(NO)C3)nc3ncc(C#N)c2-3)c(Cl)c1OC
DelComponent,Modify the molecule halo by removing a Nc1cc(-c2cc3c(F)cccc3s2)on1.,Nc1cc(-c2cc3ccccc3s2)on1
LogP,Optimize the molecule O=C(NCCC(O)c1ccsc1)NC(c1ccccc1)c1ccccc1 to have a lower LogP value.,O=C(NCCC(O)c1ccsc1)NCc1ccccc1
MR,Modify the molecule CCC[NH2+]C1CC(OCCOCCCOC)C1 to increase its MR value.,CCC[NH2+]C1CC(OCCOC(CCOC)C(=O)O)C1
QED,Modify the molecule COc1cc(Br)c(C=CC(C)O)cc1OC to decrease its QED value.,COc1ccc(C=CC(C)O)cc1OC
AtomNum,"Please generate a molecule consisting 32 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 3 chlorine atoms.",Cc1ccc(COc2ccc(N3C(=O)NC(=O)C(=Cc4ccc(OCc5ccc(Cl)c(Cl)c5)c(Cl)c4)C3=O)cc2)cc1
BondNum,"The molecule is composed of 25 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(=[NH+]CC2CC2)NC1c1cccc(C(F)(F)F)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, and 1 amide group.",O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1c2ccccc2cc2ccccc12
AddComponent,Modify the molecule CC(C)(Nc1ccc(C(N)=O)c(C(F)(F)F)c1)C(=O)[O-] by adding a carboxyl.,CC(C)(Nc1ccc(C(N)=O)c(C(F)(F)F)c1C(=O)O)C(=O)[O-]
SubComponent,Modify the molecule halo by substituting a CCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCC3)c2)CC1 with a nitrile.,CCC(C)NC(=O)c1ccc(C#N)cc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCC3)c2)CC1
DelComponent,Please remove a hydroxyl from the molecule C[NH+](Cc1nc(N)c2c3c(sc2n1)CCCC3)C1(CO)CCOC1.,C[NH+](Cc1nc(N)c2c3c(sc2n1)CCCC3)C1(C)CCOC1
LogP,Please modify the molecule CCN(C(=O)c1cc(OC)n(C)n1)C(C)(C)C(=O)[O-] to decrease its LogP value.,CCN(C(=O)c1cc(OC)n(C)n1)C(C)(CN)C(=O)[O-]
MR,Please optimize the molecule CC(C)(C)[Si](C)(C)OCC1OC([n+]2cccc(C(N)=O)c2)C(F)C1O[Si](C)(C)C(C)(C)C to have a higher MR value.,CC(C)(C)[Si](C)(C)OCC1(O)OC([n+]2cccc(C(N)=O)c2)C(F)C1O[Si](C)(C)C(C)(C)C
QED,Optimize the molecule CC1=C(C2=CC[NH+]3CCCCC3C2)C(=S)C(c2cccc(Cl)c2)=N1 to have a lower QED value.,CC1=C(C2=CC[NH+]3CCC(CC=O)CC3C2)C(=S)C(c2cccc(Cl)c2)=N1
AtomNum,"The molecule has 21 carbon atoms, and 5 nitrogen atoms.",CCCn1ccnc1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc23)CC1
BondNum,"The molecule has 12 single bonds, 3 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",Cn1c(Cl)c[nH+]c1COC(=O)c1ccc(N2CCCS2(=O)=O)cc1
FunctionalGroup,The molecule consists of and 3 halo groups.,COc1cc(F)nc(OC)c1C(F)F
AddComponent,Add a aldehyde to the molecule CCCCN1C(=O)c2cccc3c(-c4cc(C5=C(c6cc(-c7ccc8c9c(cccc79)C(=O)N(CCCC)C8=O)sc6C)C(F)(F)C(F)(F)C5(F)F)c(C)s4)ccc(c23)C1=O.,CCCCN1C(=O)c2cccc3c(-c4cc(C5=C(c6cc(-c7ccc8c9c(cc(CC=O)cc79)C(=O)N(CCCC)C8=O)sc6C)C(F)(F)C(F)(F)C5(F)F)c(C)s4)ccc(c23)C1=O
SubComponent,Substitute a C=CCC(C(=O)OC(C)(C)C)C(O)CCC=C(C)C in the molecule hydroxyl with a nitrile.,C=CCC(C(=O)OC(C)(C)C)C(C#N)CCC=C(C)C
DelComponent,Modify the molecule benzene ring by removing a Cc1cc(C)n(Cc2ccc(C(C)C(=O)[O-])cc2)n1.,Cc1cc(C)n(CC(C)C(=O)[O-])n1
LogP,Optimize the molecule Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1)C2=O to have a higher LogP value.,Cc1ccc2c(c1)C(=O)N(Cc1ccnn1Cc1ccc(N(C)C)cc1)C2=O
MR,Modify the molecule COC(=O)Cc1cccc(-c2cccc(C[NH3+])c2)c1 to increase its MR value.,COC(=O)Cc1cccc(-c2cccc(C([NH3+])c3ccccc3)c2)c1
QED,Optimize the molecule COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCOCCn1cccc([O-])c1=O to have a lower QED value.,COc1cc2ncnc(Nc3ccc(C#N)c(Cl)c3)c2cc1OCCOCCn1cccc([O-])c1=O
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",C[NH+](C)C(CNC(=O)C=Cc1ccc2c(c1)OCCO2)c1cccs1
BondNum,"Please generate a molecule consisting 13 single bonds, 2 double bonds, 5 rotatable bonds, and 10 aromatic bonds.",COCCNC(=O)NC(=O)Cn1c(C(F)(F)F)nc2ccccc21
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 2 amide groups, and 1 halo group.",Cc1ccc(C(=O)N2CCC(NC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1
AddComponent,Add a hydroxyl to the molecule Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NC(C)C(C)C)nc1C(=O)N1CCCC1C.,CC(C)C(C)NC(=O)c1nc(C(=O)N2CCCC2C)c(-c2cnc(NC(C)(C)C)cc2CO)s1
SubComponent,Modify the molecule halo by substituting a COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C)cc2)cc1Br with a carboxyl.,COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)[OH])cc3)c2C)c2ccc(C)cc2)cc1Br
DelComponent,Remove a benzene ring from the molecule CCC[NH2+]CC(OCc1ccccc1)c1ccccc1Cl.,CCC[NH2+]CC(OC)c1ccccc1Cl
LogP,Modify the molecule CCc1ccc(C(c2ccc(CC)cc2)C(Cl)(Cl)Cl)cc1 to decrease its LogP value.,CCc1ccc(C(c2ccc(C(C)O)cc2)C(Cl)(Cl)Cl)cc1
MR,Please modify the molecule Cc1cc(OCC(CO)OCc2ccccc2)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 to increase its MR value.,Cc1cc(OCC(CO)OCc2ccccc2N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1
QED,Modify the molecule CC(C)(C)OC(=O)N1CCc2c(I)cccc21 to have a higher QED value.,CC(C)(C)OC(=O)N1CCc2c(S)cccc21
AtomNum,"There is a molecule composed of 23 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 chlorine atoms.",CC(=O)N(C(C)=O)c1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc3c(cc12)CCCC3
BondNum,"Please generate a molecule consisting 6 single bonds, 1 double bond, 3 rotatable bonds, and 22 aromatic bonds.",O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1nnc(-c2ccccc2Cl)o1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 2 amide groups.",CC(COc1ccccc1NC(=O)C(=O)Nc1ccccc1OCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
AddComponent,Add a benzene ring to the molecule CC(C#N)(CCS(=O)(=O)[O-])N=NC(C)(C#N)CCS(=O)(=O)[O-].,CC(C#N)(CCS(=O)(=O)[O-])N=NC(C)(C#N)C(CS(=O)(=O)[O-])c1ccccc1
SubComponent,Please substitute a halo in the molecule COC(C[NH3+])c1nc2cc(Br)ccc2n1C with a nitro.,COC(C[NH3+])c1nc2cc(NO)ccc2n1C
DelComponent,Modify the molecule amide by removing a CC(C)(C)OCC(=O)Nc1ccc2oc(C3CC3)nc2c1.,CC(C)(C)Oc1ccc2oc(C3CC3)nc2c1
LogP,Modify the molecule CC1C(=O)NC(=[NH+]CC(=O)[O-])N=C1F to decrease its LogP value.,CC(=O)C1=NC(=[NH+]CC(=O)[O-])NC(=O)C1C
MR,Please optimize the molecule COc1cc(CC[NH2+]C(C)c2ccc(F)cc2)ccc1NC(=O)Nc1cnc(C#N)cn1 to have a lower MR value.,COc1cc(CC[NH2+]C(C)c2ccc(F)cc2)ccc1NC(=O)Nc1cnccn1
QED,Optimize the molecule O=C1NCCc2nc(OCc3ccccc3F)ccc21 to have a lower QED value.,O=C1NCCc2nc(OCc3ccccc3)ccc21
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CCCC(C[NH3+])C(=O)NC1CCSc2ccc(F)cc21
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(C(=O)N(CCO)C2CCC2)c(F)c1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 1 ester group, 1 amine group, and 10 halo groups.",O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1F
AddComponent,Please add a hydroxyl to the molecule O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCc1csc(-c2ccco2)n1.,O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCc1csc(-c2ccc(O)o2)n1
SubComponent,Substitute a [NH3+]CC1(C(=O)Nc2ccc(Br)nc2)CC1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(NC(=O)C2(C[NH3+])CC2)cn1
DelComponent,Modify the molecule benzene ring by removing a O=C1OC(O)(c2ccc(CO)cc2)C2(Br)CCCCC12.,O=C1OC(O)(CO)C2(Br)CCCCC12
LogP,Modify the molecule Cc1ccc2oc(-c3cccc(N(C)C(=O)C(F)(F)F)c3)nc2c1 to increase its LogP value.,Cc1cc2nc(-c3cccc(N(C)C(=O)C(F)(F)F)c3)oc2cc1-c1ccccc1
MR,Please modify the molecule CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3cccc4ccccc34)cc2)c(C#N)c(OS(=O)(=O)C(F)(F)F)n1 to decrease its MR value.,CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3cccc4ccccc34)cc2)c(C#N)c(OS(=O)(=O)C(F)F)n1
QED,Modify the molecule N#Cc1nc(N2CCCC2)c(C#N)nc1N1CCCC1 to decrease its QED value.,CC(=O)c1nc(N2CCCC2)c(C#N)nc1N1CCCC1
AtomNum,"There is a molecule with 7 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CSC(=NC[NH+](C)C)NC(C)=O
BondNum,"There is a molecule composed of 9 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",NNC(CCc1ccncc1)Cc1ccc(F)c(F)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 amide groups.",CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCCC2=CCCCC2)c1=O
AddComponent,Add a hydroxyl to the molecule O=[N+]([O-])c1ccc(Oc2ccc(CCl)c(Cl)c2)c(F)c1.,O=[N+]([O-])c1ccc(Oc2ccc(CCl)c(Cl)c2)c(F)c1O
SubComponent,Substitute a halo in the molecule Fc1cc(OC(F)(F)C2CCC(C3CCCCC3)CC2)cc(P)c1F with a nitro.,ONc1cc(OC(F)(F)C2CCC(C3CCCCC3)CC2)cc(P)c1F
DelComponent,Please remove a c1cc(NC2CCCCCCC2)cc(-c2ccn[nH]2)c1 from the molecule benzene ring.,c1cc(NC2CCCCCCC2)[nH]n1
LogP,Please modify the molecule CC(C)c1c(Cl)c(Cl)c(S(=O)(=O)[O-])c(Cl)c1Cl to decrease its LogP value.,CC(C)c1c(Cl)cc(S(=O)(=O)[O-])c(Cl)c1Cl
MR,Modify the molecule O=C(CNc1ccnc(Cl)n1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 to have a lower MR value.,Clc1nccc(NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)n1
QED,Please optimize the molecule CC1=Cc2ccccc2C1C1C(c2c(F)c(F)c(F)c(F)c2F)=C(c2c(F)c(F)c(F)c(F)c2F)c2c(-c3c(F)c(F)c(F)c(F)c3F)cccc21 to have a higher QED value.,CC1=Cc2ccccc2C1C1C(c2c(F)c(F)c(F)c(F)c2C#N)=C(c2c(F)c(F)c(F)c(F)c2F)c2c(-c3c(F)c(F)c(F)c(F)c3F)cccc21
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",O=C(Cc1ccc2ccccc2c1)Nc1cc(C2CCCC2)[nH]n1
BondNum,"The molecule has 21 single bonds, 1 double bond, and 3 rotatable bonds.",CC(C)C1[NH2+]C2(CCCC2)C(=O)N1CC1(C)CCCC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, 1 halo group, 1 sulfide group, and 1 sulfone group.",COc1ccc(Br)cc1S(=O)(=O)NC(C)Cc1ccsc1
AddComponent,Modify the molecule Cc1cc(C)n(CC(=O)N2CCCC(c3cc(C[NH+](C)C)n(C)n3)C2)c(=O)n1 by adding a hydroxyl.,Cc1nc(=O)n(CC(=O)N2CCCC(c3cc(C[NH+](C)C)n(C)n3)C2)c(C)c1O
SubComponent,Please substitute a hydroxyl in the molecule CC(=O)Nc1ccc(O)c(CN2CCCC2=O)c1 with a nitro.,CC(=O)Nc1ccc(NO)c(CN2CCCC2=O)c1
DelComponent,Remove a CCn1nc(NC(=O)NC2CCCNC2=O)cc1C1CC1 from the molecule amide.,CCn1nc(NC(=O)NC2CC2)cc1C1CC1
LogP,Modify the molecule O=S(=O)(Cl)c1cc(F)ccc1OCc1ccccc1 to decrease its LogP value.,O=S(=O)(S)c1cc(F)ccc1OCc1ccccc1
MR,Please optimize the molecule Cc1cnn(CCn2c(=O)[nH]c(Cl)c(C(C)C)c2=O)c1 to have a lower MR value.,Cc1cnn(CCn2c(=O)[nH]c(C#N)c(C(C)C)c2=O)c1
QED,Optimize the molecule COc1ccc(S(=O)(=O)NC(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)C(C)C)cc1 to have a lower QED value.,COc1ccc(S(=O)(=O)NC(C(=O)NCC2(c3cccc(NO)c3)CCOCC2)C(C)C)cc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",C=CCCC(=O)N(CCC)CC1CCC[NH2+]C1
BondNum,"The molecule consists of 28 single bonds, 3 double bonds, 6 rotatable bonds, and 22 aromatic bonds.",C[NH+]1CCC(F)(c2ccc(-c3cc4c(-c5cccc(N6CCOC7C=C(C8CC8)C=CC7C6=O)c5CO)ccnc4[nH]3)cc2)CC1
FunctionalGroup,"The molecule consists of 1 ester group, and 1 sulfone group.",COC(=O)C(C1CC1)S(C)(=O)=O
AddComponent,Modify the molecule CC(CN(C)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1)C(=O)[O-] by adding a benzene ring.,CC(CN(C)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c(-c2ccccc2)n1)C(=O)[O-]
SubComponent,Please substitute a hydroxyl in the molecule CSc1ccc(C[NH2+]Cc2cccc(OCC(O)C[NH+]3CCOCC3)c2)cc1 with a aldehyde.,CC(=O)C(COc1cccc(C[NH2+]Cc2ccc(SC)cc2)c1)C[NH+]1CCOCC1
DelComponent,Please remove a benzene ring from the molecule CCCC(CC=N)CCC1Cc2ccccc2C1Oc1ccc(NC(=O)OCc2ccccc2)cc1.,CCCC(CC=N)CCC1Cc2ccccc2C1Oc1ccc(NC(=O)OC)cc1
LogP,Please modify the molecule CS(=O)(=O)N1CCNC(=O)C1c1ccccc1Cl to decrease its LogP value.,CS(=O)(=O)N1CCNC(=O)C1c1ccccc1
MR,Please modify the molecule CC1CCC(CO)(NS(=O)(=O)C2CCOCC2)CC1 to increase its MR value.,CC1CCC(CO)(NS(=O)(=O)C2CCOC(c3ccccc3)C2)CC1
QED,Modify the molecule COc1ccc(NC(=O)COC(=O)C(C(C)C)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 to increase its QED value.,COc1ccc(NC(=O)COC(=O)C(C(C)C)N2C(=O)c3c(S)c(Br)c(Br)c(Br)c3C2=O)cc1
AtomNum,"Please generate a molecule consisting 31 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",COc1cc(CN(C)c2ccc(OCc3c(C4CC4)cnn3-c3ccccc3OC(F)(F)F)cc2C)ccc1C(=O)[O-]
BondNum,"There is a molecule with 148 single bonds, 7 double bonds, and 109 rotatable bonds.",CCCCCCCCCCCCCCCCCCC(C)CC(C)C=C(C)C(=O)OC1C(O)C(COC(=O)C(C)C(O)C(C)CC(C)CCCCCCCCCCCCCCCCCC)OC(OC2OC(CO)C(OC(=O)C(C)C(O)C(C)CC(C)CCCCCCCCCCCCCCCCCC)C(O)C2OC(=O)C(C)=CC(C)CC(C)CCCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCCCC
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 halo group, 3 thioether groups, and 3 sulfide groups.",CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1nccs1
AddComponent,Please add a aldehyde to the molecule Cc1nnc(Oc2cccnc2C(=O)[O-])s1.,O=CCCc1nnc(Oc2cccnc2C(=O)[O-])s1
SubComponent,Please substitute a CCCCOCCNS(=O)(=O)c1ccc(F)c(C#N)c1 in the molecule nitrile with a halo.,CCCCOCCNS(=O)(=O)c1ccc(F)c(Cl)c1
DelComponent,Remove a amide from the molecule Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C.,Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
LogP,Please modify the molecule COC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 to decrease its LogP value.,COC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(CC(=O)O)cc2C)c1
MR,Modify the molecule Cc1sc2nc(C[NH+](C)CC(N)=O)nc(Cl)c2c1C to decrease its MR value.,C[NH+]Cc1nc(Cl)c2c(C)c(C)sc2n1
QED,Optimize the molecule CN(c1ccc2sc(C(=O)Nc3ccc(F)cc3)cc2c1)S(C)(=O)=O to have a lower QED value.,CN(c1ccc2sc(C(=O)Nc3ccc(F)cc3)cc2c1)S(=O)(=O)CS
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)cc1C
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CCCc1c(O)ccc(C(=O)CCC(F)(F)F)c1O
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, and 1 halo group.",CCCn1cnnc1C(C(=O)OCC)c1cccc(Cl)c1
AddComponent,Please add a hydroxyl to the molecule NC(=S)CNC(=O)C(=O)NC1COc2ccccc21.,NC(=S)CNC(=O)C(=O)NC1COc2c(O)cccc21
SubComponent,Substitute a halo in the molecule COc1cc(NC(C)=O)c(Cl)cc1C(N)=O with a hydroxyl.,COc1cc(NC(C)=O)c(O)cc1C(N)=O
DelComponent,Modify the molecule nitrile by removing a COc1cc2c(cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)oc1ccccc12.,COc1cc2c(cc1NC(=O)CCc1c(C)cc(=O)[nH]c1C)oc1ccccc12
LogP,Modify the molecule C[NH2+]Cc1csc(-c2ccc3c(c2)ncn3C)n1 to have a lower LogP value.,C[NH2+]Cc1csc(-c2cc3ncn(C)c3cc2CC=O)n1
MR,Optimize the molecule CN(C)c1cccc(C(=O)OCc2nnc(-c3cccs3)o2)c1 to have a lower MR value.,CN(C)C(=O)OCc1nnc(-c2cccs2)o1
QED,Please optimize the molecule Cc1ncc2c(-c3ccc(F)cc3)csc2n1 to have a higher QED value.,Cc1ncc2c(-c3ccc(NO)cc3)csc2n1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cc1cccc(-c2noc(C([NH3+])Cc3cnc[nH]3)n2)n1
BondNum,"There is a molecule consisting of 16 single bonds, 2 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CCN(CC)c1ccc(N(CCNC(=O)Cc2ccc(F)cc2)C(C)=O)c(C)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, and 1 halo group.",Cc1ccc2cc(C(=O)NCCNC(=O)Cc3cccc(F)c3)c(C)nc2c1
AddComponent,Add a benzene ring to the molecule CC1CN2C(=O)c3c([O-])c(=O)ccn3NC2CO1.,CC1OCC2Nn3ccc(=O)c([O-])c3C(=O)N2C1c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cc1cc(F)ccc1CCNC(=O)NCC(C)CCO with a thiol.,Cc1cc(S)ccc1CCNC(=O)NCC(C)CCO
DelComponent,Please remove a amide from the molecule O=C(C1CCCC1)N1CCC(c2nc(Cc3cccs3)no2)C1.,c1csc(Cc2noc(C3CCC4CCCC43)n2)c1
LogP,Please optimize the molecule CC1C[NH+](Cc2ccccc2)CCC1[NH+]1CCCCC1 to have a lower LogP value.,CC1C(O)[NH+](Cc2ccccc2)CCC1[NH+]1CCCCC1
MR,Modify the molecule O=C(NC1CCCC[NH2+]C1)NC1CC(c2ccccc2F)C1 to have a higher MR value.,Nc1ccc(C2CC(NC(=O)NC3CCCC[NH2+]C3)C2)c(F)c1
QED,Please modify the molecule C[NH+](C)CCNC(=O)C1CCc2nc3c(cc2C1)nc1ccccn13 to increase its QED value.,C[NH+](C)CC1CCc2nc3c(cc2C1)nc1ccccn13
AtomNum,"The molecule consists of 17 carbon atoms, 2 oxygen atoms, and 2 silicon atoms.",CC=CC[Si](C)C1(C2([Si](C)C)CCCCO2)CCCCO1
BondNum,"The molecule contains 17 single bonds, 4 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CC(CNS(C)(=O)=O)c1ccc(Oc2ccc3c(c2)S(=O)(=O)NC2CCCN32)cc1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 thioether group, and 1 sulfide group.",CCN(CC)c1ccc(-c2nnc(SCc3nnc(Cc4ccccc4)o3)n2C)cc1
AddComponent,Add a hydroxyl to the molecule CC(C)N(CC(F)(F)F)C(=O)C=Cc1cccc(N)c1.,CC(CO)N(CC(F)(F)F)C(=O)C=Cc1cccc(N)c1
SubComponent,Modify the molecule CCCC(CO)(OC)C(F)C#CC(=O)[O-] by substituting a hydroxyl with a carboxyl.,CCCC(CC(=O)[OH])(OC)C(F)C#CC(=O)[O-]
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(-c2[nH]c(=O)cc3ccccc23)c1.,Cc1[nH]c(=O)cc2ccccc12
LogP,Modify the molecule O=C1C(=O)N(CCC2CCCC2)c2cccc(Br)c21 to decrease its LogP value.,O=C1C(=O)N(CCC2CCC(S)C2)c2cccc(Br)c21
MR,Modify the molecule CCCCOc1ccc(C(OO)C2CCC(CCCC)CC2)cc1 to increase its MR value.,CCCCOc1ccc(C(OS)C2CCC(CCCC)CC2)cc1
QED,Please optimize the molecule NC(=S)c1ccc(Oc2ccccc2CO)cc1Cl to have a higher QED value.,Cc1ccccc1Oc1ccc(C(N)=S)c(Cl)c1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(C)c1cc(C(=O)OC2CCCCN(C(N)=O)C2)c(NC(N)=O)s1
BondNum,"The molecule consists of 24 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",O=C1N(C2CCC(O)CC2)CCC12CCCN(c1cc(C(F)(F)F)c3ccccc3n1)C2
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 1 halo group.",CCOc1ccc(-c2cc(-c3ccc(C[NH3+])cc3)co2)cc1Cl
AddComponent,Please add a amine to the molecule CC(=O)NC(CCSCc1nc2ccccc2[nH]1)C(=O)[O-].,CC(=O)NC(CCSCc1nc2cc(N)ccc2[nH]1)C(=O)[O-]
SubComponent,Substitute a halo in the molecule O=C(NC(C(=O)N1CC(Cl)C2OCC(=O)C21)C1CCCC1)c1ncc(-c2cccnn2)s1 with a hydroxyl.,O=C(NC(C(=O)N1CC(O)C2OCC(=O)C21)C1CCCC1)c1ncc(-c2cccnn2)s1
DelComponent,Modify the molecule halo by removing a O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)N1CCc2c(F)cc(F)cc21.,O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)N1CCc2ccc(F)cc21
LogP,Please optimize the molecule Cc1cc(C)cc(NS(=O)(=O)c2ccc(F)c(C#N)c2)c1 to have a higher LogP value.,Cc1cc(C)cc(S(=O)(=O)c2ccc(F)c(C#N)c2)c1
MR,Optimize the molecule CC(=O)CC(C)(C)CC=C(C)CC(C)(C)CC=C(C)C(N)=O to have a higher MR value.,CC(=O)CC(C)(CC=C(C)CC(C)(C)CC=C(C)C(N)=O)CCC=O
QED,Please modify the molecule CNC(=O)c1cccnc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F to increase its QED value.,Cc1(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nccc-1
AtomNum,"The molecule consists of 17 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",CC(C)(C)OC(=O)N1CCC(CN2CCCC(C(F)(F)F)C2)CC1
BondNum,"The molecule contains 18 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CCOc1cc(C[NH+]2CCC([NH3+])C(O)C2)ccc1OCC=C(C)C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 ketone group.",COc1ccc(C(=O)CC2CCCC[NH+]2C)cc1
AddComponent,Add a hydroxyl to the molecule Cc1ccc(NC(=O)C(C)NC(=O)c2ccc(Br)s2)cc1S(N)(=O)=O.,Cc1ccc(NC(=O)C(C)(O)NC(=O)c2ccc(Br)s2)cc1S(N)(=O)=O
SubComponent,Please substitute a CCOc1cc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Br)c1OCC(=O)Nc1ccccc1F in the molecule halo with a carboxyl.,CCOc1cc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(C(=O)[OH])c1OCC(=O)Nc1ccccc1F
DelComponent,Remove a Cc1cccc(-c2cccc(N3CC[NH+](CCCCC4(C(=O)NCC(F)(F)F)c5ccccc5-c5ccccc54)CC3)c2)c1 from the molecule halo.,Cc1cccc(-c2cccc(N3CC[NH+](CCCCC4(C(=O)NCC(F)F)c5ccccc5-c5ccccc54)CC3)c2)c1
LogP,Please optimize the molecule CCCC1[NH2+]CCc2c(C)cc(Cl)cc21 to have a lower LogP value.,CC(=O)c1cc(C)c2c(c1)C(CCC)[NH2+]CC2
MR,Modify the molecule Cc1cc(Br)ccc1Oc1cncc(C[NH2+]C2CC2)c1 to have a higher MR value.,CC(=O)c1ccc(Oc2cncc(C[NH2+]C3CC3)c2)c(C)c1
QED,Please optimize the molecule COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)C2c2cccs2)c1 to have a lower QED value.,COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)C2c2cccs2)c1N
AtomNum,"There is a molecule consisting of 25 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)N(C)c3ccccc32)cc1
BondNum,"There is a molecule with 21 single bonds, 5 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CC1=C(C(=O)OCC[NH+](C)Cc2ccccc2)C(c2cccc(Cl)c2)C2C(=N1)COCCS2(=O)=O
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 2 amide groups.",COc1ccccc1CNC(=O)C1CCCN(C(=O)c2cc(C)cc(C)c2)C1
AddComponent,Please add a benzene ring to the molecule N#Cc1ccccc1COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1.,N#Cc1ccccc1COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1c1ccccc1
SubComponent,Substitute a CCC(CO)NC(=O)c1ccc(Cl)s1 in the molecule hydroxyl with a halo.,CCC(CF)NC(=O)c1ccc(Cl)s1
DelComponent,Remove a hydroxyl from the molecule CC([NH3+])c1ccn(CCOCCO)c1.,CCOCCn1ccc(C(C)[NH3+])c1
LogP,Modify the molecule O=C1CC2CCC(C1)[NH+]2CC1CCC(F)(F)CC1 to decrease its LogP value.,O=C1CC2CCC(C1)[NH+]2CC1CCC(F)(S)CC1
MR,Please optimize the molecule CC(=O)c1cccn2c(C3CC3)nc(Cl)c12 to have a higher MR value.,O=C(Cc1ccccc1)c1cccn2c(C3CC3)nc(Cl)c12
QED,Please optimize the molecule COC(C)(CNC(=O)c1c(-c2ccccc2Cl)noc1C)c1cccc(Cl)c1 to have a higher QED value.,COC(C)(Cc1(C)onc-1-c1ccccc1Cl)c1cccc(Cl)c1
AtomNum,"The molecule is composed of 11 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",C[NH+](CCO)CC(=O)c1ccc(O)cc1
BondNum,"There is a molecule consisting of 13 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",CC1CCC(C(C)C)C(OC(=O)c2cccc3cc4ccccc4cc23)C1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",Cc1nn(CC(=O)NCCC[NH+]2CCCCCC2)c(=O)c2cc(-c3ccccc3)nn12
AddComponent,Add a carboxyl to the molecule CC(C)(C)N(C(=O)[O-])c1ccccc1CCC(=O)c1nccn1-c1cccc2ccccc12.,CC(C)(C)N(C(=O)[O-])c1ccccc1CCC(=O)c1nccn1-c1cc(C(=O)O)cc2ccccc12
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(Oc3ccc(-c4cccc(C)c4)cc3-c3ccnc(CO)c3)c(C#N)c2)c(C)c1 with a nitro.,COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(Oc3ccc(-c4cccc(C)c4)cc3-c3ccnc(CNO)c3)c(C#N)c2)c(C)c1
DelComponent,Please remove a CCC(Nc1cccnn1)c1ncc[nH]1 from the molecule amine.,CCC(c1cccnn1)c1ncc[nH]1
LogP,Modify the molecule c1ccc(C[NH2+]CCC2CO2)cc1 to have a lower LogP value.,NC(C[NH2+]Cc1ccccc1)C1CO1
MR,Modify the molecule O=C(Nc1cccnc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)C1 to decrease its MR value.,O=C(Nc1cccnc1)N1CCC(=COc2ccc(C(F)(F)F)cn2)C1
QED,Optimize the molecule CCCC(CC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 to have a lower QED value.,CCCC(CC)NC(=O)c1ccc(NO)c([N+](=O)[O-])c1
AtomNum,"There is a molecule composed of 16 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",C=CCOCC(NC(=O)c1ccccc1SC(C)C)C(=O)[O-]
BondNum,"Please generate a molecule with 36 single bonds, 4 double bonds, 13 rotatable bonds, and 24 aromatic bonds.",CNc1ccccc1CCN(C=O)C1CCN(C(=O)OC(Cc2cc(Cl)c(N)c(C(F)(F)F)c2)C(=O)N2CCN(c3ccc(C(=O)Oc4ccccc4)cn3)CC2)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 halo group.",CC(C1CC1)N(C)c1ccc(C(=O)[O-])c(F)c1
AddComponent,Add a benzene ring to the molecule CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1cccc(OCc2ccccc2)c1.,CC(C)CC(=O)C1=C(O)C(=O)N(Cc2cc(-c3ccccc3)co2)C1c1cccc(OCc2ccccc2)c1
SubComponent,Please substitute a halo in the molecule CCc1nnsc1C(=O)N1CC(=O)N(CC(F)(F)F)C1 with a thiol.,CCc1nnsc1C(=O)N1CC(=O)N(CC(F)(F)S)C1
DelComponent,Please remove a C=C1Oc2ccc(OC)cc2C1O from the molecule hydroxyl.,C=C1Cc2cc(OC)ccc2O1
LogP,Modify the molecule COc1ccc(C=N[N+]2=C(N)SC3CS(=O)(=O)CC32)cc1 to increase its LogP value.,COc1ccc(C=N[N+]2=CSC3CS(=O)(=O)CC32)cc1
MR,Please modify the molecule CC[NH2+]Cc1ccc(Cl)cc1Sc1n[nH]c(=O)n1C to increase its MR value.,CC[NH2+]Cc1ccc(NO)cc1Sc1n[nH]c(=O)n1C
QED,Please modify the molecule Nc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)o1 to decrease its QED value.,c1coc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1
AtomNum,"There is a molecule with 14 carbon atoms, 2 oxygen atoms, and 2 fluorine atoms.",Cc1c(F)cccc1-c1cc(F)cc(C(=O)[O-])c1
BondNum,"There is a molecule composed of 14 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2)cc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 2 halo groups.",O=C(Nc1cccc(Br)c1)Nc1ccc(C(=O)[O-])c(F)c1
AddComponent,Add a benzene ring to the molecule Cc1nc(NN)cc(NC2CC[NH+](C)CC2)n1.,Cc1nc(NN)cc(NC2CC[NH+](C)CC2c2ccccc2)n1
SubComponent,Please substitute a CN(c1ncc(N)cc1Cl)C1CC1 in the molecule halo with a nitro.,CN(c1ncc(N)cc1NO)C1CC1
DelComponent,Modify the molecule halo by removing a CC1OCCC1(O)C[NH2+]Cc1ccc(Cl)c(Cl)c1.,CC1OCCC1(O)C[NH2+]Cc1cccc(Cl)c1
LogP,Modify the molecule Cc1cc(C)c(OCc2csc(C(=O)Nc3ncn(Cc4c(Cl)cccc4Cl)n3)c2)c(C)c1 to have a lower LogP value.,Cc1cc(C)c(OCc2csc(C(=O)Nc3ncn(Cc4c(Cl)cccc4NO)n3)c2)c(C)c1
MR,Please modify the molecule Nc1ncc(C[NH+]2CCCC(C(=O)N3CCOCC3)C2)s1 to decrease its MR value.,Nc1ncc(C[NH+]2CCCC3COCCC32)s1
QED,Modify the molecule CCC=CC(C(=O)NCCCC)C(O)c1ccccc1 to have a lower QED value.,CCC=CC(CO)C(=O)NCCCC
AtomNum,"There is a molecule consisting of 13 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",C[NH2+]Cc1nc(C(C)C)ncc1N(C)CCSC
BondNum,"Please generate a molecule composed of 8 single bonds, 3 rotatable bonds, and 5 aromatic bonds.",CC(C)C(F)(C[NH3+])c1cnn(C)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",CCC[NH2+]C(C)c1cccc(NC(=O)C2CCCOC2)c1
AddComponent,Modify the molecule NC(=S)c1cnc(N2CCCOCC2)cn1 by adding a hydroxyl.,NC(=S)c1cnc(N2CCCOCC2)c(O)n1
SubComponent,Modify the molecule O=S(=O)(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(F)cc1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(Cn2cc(NS(=O)(=O)c3ccc(F)cc3)cn2)cc1
DelComponent,Modify the molecule CC1(COc2ccc(Cl)cc2C=C2C(=O)Nc3cc(Cl)ccc32)COC1 by removing a halo.,CC1(COc2ccc(Cl)cc2C=C2C(=O)Nc3ccccc32)COC1
LogP,Please optimize the molecule COC(=O)NC(C)C(=O)N(C)Cc1cnccn1 to have a higher LogP value.,COC(=O)N(C)C(C)c1cnccn1
MR,Modify the molecule CC(C)Oc1ccc(C(Cl)c2cc(Br)ccc2Cl)cc1 to decrease its MR value.,CC(C)OC(Cl)c1cc(Br)ccc1Cl
QED,Optimize the molecule CC1CCc2nc(N)nc(CC3CC(=O)NC(=O)C3)c2C1 to have a higher QED value.,CC1CCc2ncnc(CC3CC(=O)NC(=O)C3)c2C1
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc(NC(=O)COc2cccc(C(=O)NCc3ccccc3)c2)cc1C
BondNum,"There is a molecule consisting of 11 single bonds, 2 double bonds, and 2 rotatable bonds.",CC(C)(C(=O)N1CCCC1)C(N)=S
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 1 amide group, 1 halo group, and 1 sulfone group.",CCOc1ccccc1N(CC(=O)NN=Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
AddComponent,Add a hydroxyl to the molecule C=CN1C(=CCCC)CCC1c1ccc(C#N)cc1F.,C=CN1C(=C(O)CCC)CCC1c1ccc(C#N)cc1F
SubComponent,Substitute a halo in the molecule Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)NCC(=O)Nc1ccccc1Br with a hydroxyl.,Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)NCC(=O)Nc1ccccc1O
DelComponent,Remove a halo from the molecule CCC1CCCCC1C(=O)C(C)(C)F.,CCC1CCCCC1C(=O)C(C)C
LogP,Optimize the molecule COc1ccccc1C[NH+]1CCC(NC(=O)CCNC(=O)c2cccs2)CC1 to have a lower LogP value.,COC[NH+]1CCC(NC(=O)CCNC(=O)c2cccs2)CC1
MR,Modify the molecule CCN(CCC#N)C(=O)C1(C[NH3+])CCCCCC1 to have a lower MR value.,CCC(CC#N)C([NH3+])C1CCCCC1
QED,Modify the molecule CCc1ccc(OC(Oc2cc3ccc(Cl)cc3c(OCc3ccccc3)c2OC(Oc2ccc(CC)cc2)C(C)C)C(C)C)cc1 to increase its QED value.,CCc1ccc(OC(Oc2cc3ccccc3c(OCc3ccccc3)c2OC(Oc2ccc(CC)cc2)C(C)C)C(C)C)cc1
AtomNum,"Please generate a molecule with 13 carbon atoms, and 3 nitrogen atoms.",CC(CC1CC1)n1cncc1C[NH2+]C1CC1
BondNum,"Please generate a molecule consisting 14 single bonds, 3 double bonds, 7 rotatable bonds, and 22 aromatic bonds.",Cc1c(S(=O)(=O)CCNC(=O)Nc2ccc(C(C)(C)C)cc2)c2ccccc2n1Cc1ccccc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, and 2 halo groups.",CC1(O)CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1
AddComponent,Add a benzene ring to the molecule CC(C)c1noc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)n1.,CC(C)(c1ccccc1)c1noc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)n1
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc(-c2nc(NCC(O)C[NH3+])nc3c2ncn3C2CCCCO2)cc1 with a nitro.,COc1ccc(-c2nc(NCC(C[NH3+])NO)nc3c2ncn3C2CCCCO2)cc1
DelComponent,Please remove a benzene ring from the molecule COc1cc(S(=O)(=O)[O-])ccc1OS(=O)(=O)c1c(C)cc(C)cc1C.,CCCS(=O)(=O)Oc1ccc(S(=O)(=O)[O-])cc1OC
LogP,Modify the molecule Cc1cc(Oc2ncccn2)ccc1NC(=O)C=Cc1cccc(F)c1 to have a higher LogP value.,CC(=O)c1cccc(C=CC(=O)Nc2ccc(Oc3ncccn3)cc2C)c1
MR,Modify the molecule CC(C)Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccc(Cl)cc1Cl to increase its MR value.,CC(C)Cn1c(SC(S)C(=O)Nc2sccc2C#N)nnc1-c1ccc(Cl)cc1Cl
QED,Modify the molecule CN(Cc1ccc(OCC(=O)[O-])c(-c2ccn3ccnc3c2)c1)S(=O)(=O)c1ccc(F)cc1 to have a higher QED value.,CN(Cc1ccc(OCC(=O)[O-])c(-c2ccn3ccnc3c2)c1)S(=O)(=O)c1ccc(O)cc1
AtomNum,"Please generate a molecule with 30 carbon atoms, 9 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 fluorine atom.",COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(OC)c1
BondNum,"There is a molecule with 9 single bonds, 3 double bonds, 6 rotatable bonds, and 20 aromatic bonds.",COC(=O)COc1cccn2c1c(C(=O)C(N)=O)c1scc(-c3ccccc3)c12
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, and 2 halo groups.",O=C(Nc1ccccc1Br)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
AddComponent,Please add a benzene ring to the molecule O=C1NC(Cc2ccc(O)cc2)C(O)=NN2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(N=C(O)C(Cc2ccc(O)cc2)NC(=O)c2cccc(n2)C(O)=NC(Cc2ccc(O)cc2)C(O)=NN2C(=O)c3ccc5c6c(ccc(c36)C2=O)C(=O)N(N=C(O)C(Cc2ccc(O)cc2)N=C(O)c2cccc1n2)C5=O)C4=O.,O=C1NC(Cc2ccc(O)cc2)C(O)=NN2C(=O)c3ccc4c5c(c(-c6ccccc6)cc(c35)C2=O)C(=O)N(N=C(O)C(Cc2ccc(O)cc2)NC(=O)c2cccc(n2)C(O)=NC(Cc2ccc(O)cc2)C(O)=NN2C(=O)c3ccc5c6c(ccc(c36)C2=O)C(=O)N(N=C(O)C(Cc2ccc(O)cc2)N=C(O)c2cccc1n2)C5=O)C4=O
SubComponent,Modify the molecule halo by substituting a Cc1ccc(F)cc1CC(C(C)C)C(C)Br with a thiol.,Cc1ccc(S)cc1CC(C(C)C)C(C)Br
DelComponent,Remove a benzene ring from the molecule CC(C)=CCN(Cc1ncc[nH]1)c1ccccc1.,CC(C)=CCNCc1ncc[nH]1
LogP,Please optimize the molecule COCCNC(=O)c1ccc(CSc2nnc(COC)n2-c2ccc(OC)cc2)cc1 to have a lower LogP value.,COCCNC(=O)c1ccc(CSc2nnc(COC)n2-c2ccc(OC)cc2)c(CC=O)c1
MR,Please optimize the molecule Cc1[nH]ncc1CCCNC(=O)CSCC(=O)[O-] to have a lower MR value.,Cc1[nH]ncc1CCCSCC(=O)[O-]
QED,Please modify the molecule COc1cc(C)ccc1Nc1ncnc(N)c1[N+](=O)[O-] to increase its QED value.,COc1cc(C)ccc1Nc1ncncc1[N+](=O)[O-]
AtomNum,"The molecule contains 15 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 bromine atom.",CN1C(=O)Cc2cc(C(Br)C3CCCC3)ccc21
BondNum,"The molecule consists of 11 single bonds, and 8 rotatable bonds.",CCC[NH+](CC)CCCOCC
FunctionalGroup,"There is a molecule with 2 thioether groups, and 1 sulfide group.",CC[NH+](CC(=O)[O-])C1CC(NC(=O)NCC2CCSCC2)C1
AddComponent,Add a hydroxyl to the molecule C=CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(OC)cc1.,C=CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(OC)cc1O
SubComponent,Please substitute a hydroxyl in the molecule COc1cc(C2c3cc4c(cc3C(CCC(=O)[O-])C3COC(=O)C23)OCO4)cc(OC)c1O with a nitro.,COc1cc(C2c3cc4c(cc3C(CCC(=O)[O-])C3COC(=O)C23)OCO4)cc(OC)c1NO
DelComponent,Remove a CC(C)c1ccc(-c2nc3ncccn3c2C#N)cc1 from the molecule nitrile.,CC(C)c1ccc(-c2cn3cccnc3n2)cc1
LogP,Modify the molecule O=C(CCCCCCC(=O)Nc1ccc(F)cc1)NO to decrease its LogP value.,O=C(CCCCCc1ccc(F)cc1)NO
MR,Modify the molecule [NH3+]Cc1ccc(C(=O)N2CCC3(CC2)OCCO3)nc1 to decrease its MR value.,[NH3+]Cc1cc2CCC3(CCn-2c1)OCCO3
QED,Modify the molecule CCCN1c2cc(OC)c(C=Nc3ccc(Br)cc3)cc2C(C)=CC1(C)C to have a higher QED value.,CCCN1c2cc(OC)c(C=Nc3ccccc3)cc2C(C)=CC1(C)C
AtomNum,"Please generate a molecule with 22 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CC1CCCC[NH+]1CCC1CCN(C(=O)NC2CCC(=O)NC23CCC3)CC1
BondNum,"The molecule consists of 13 single bonds, 1 double bond, 8 rotatable bonds, and 16 aromatic bonds.",CCC(C)(C)NC(=O)C(C)Sc1nnc(-c2cccs2)n1Cc1ccccc1
FunctionalGroup,The molecule is composed of and 1 halo group.,NC(=O)Nc1ccc(F)cn1
AddComponent,Add a hydroxyl to the molecule O=[N+]([O-])c1cccc(Cn2ccnc2-c2cccc(Br)c2)c1.,O=[N+]([O-])c1cc(Cn2ccnc2-c2cccc(Br)c2)ccc1O
SubComponent,Substitute a hydroxyl in the molecule CC(NC(=O)C(CSCC(NC(=O)OCc1ccccc1)C(O)OCc1ccccc1)NC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 with a nitrile.,CC(NC(=O)C(CSCC(NC(=O)OCc1ccccc1)C(C#N)OCc1ccccc1)NC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
DelComponent,Please remove a NNC(Cc1cc(F)ccc1Br)C1Cc2ccccc21 from the molecule amine.,NC(Cc1cc(F)ccc1Br)C1Cc2ccccc21
LogP,Please modify the molecule CC(c1ccccc1Cl)N(C)C(=O)CC([NH3+])C1CC1 to decrease its LogP value.,CC(Cl)N(C)C(=O)CC([NH3+])C1CC1
MR,Modify the molecule O=C(NCCc1ccc(Cl)s1)C1C[NH2+]CCO1 to have a higher MR value.,O=C(NCCc1ccc(Cl)s1)C1C[NH2+]C(O)CO1
QED,Modify the molecule CC(C)c1cc(-c2ccccc2)nc(-c2cccnc2)c1 to have a higher QED value.,CC(C)c1ccnc(-c2cccnc2)c1
AtomNum,"Please generate a molecule with 21 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 sulfur atoms.",CSc1ccc(C(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)cc1
BondNum,"Please generate a molecule composed of 7 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",COC(=O)c1nc(Br)c2c(Oc3ccccc3)cccc2c1O
FunctionalGroup,"There is a molecule with 1 amide group, 1 thioether group, and 2 sulfide groups.",CCSc1nc2ccc(NC(=O)C=CC(=O)[O-])cc2s1
AddComponent,Please add a benzene ring to the molecule NS(=O)(=O)NC1CCCC(O)C1.,NS(=O)(=O)NC1CCCC(O)(c2ccccc2)C1
SubComponent,Please substitute a halo in the molecule COc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 with a hydroxyl.,COc1ccccc1NC(=O)c1ccc(Oc2ccc(O)cc2)cc1
DelComponent,Modify the molecule CCNC(NCc1ccco1)=[NH+]Cc1ccccc1Cl by removing a halo.,CCNC(NCc1ccco1)=[NH+]Cc1ccccc1
LogP,Modify the molecule Fc1cccc(Cn2cc(Cl)c(NC(=S)NCC3CCCO3)n2)c1 to decrease its LogP value.,Fc1cccc(Cn2cc(Cl)c(C(=S)NCC3CCCO3)n2)c1
MR,Please optimize the molecule CNc1cc(S(=O)(=O)NCC[NH+](C)C2CC2)ccn1 to have a lower MR value.,Cc1cc(S(=O)(=O)NCC[NH+](C)C2CC2)ccn1
QED,Please optimize the molecule Nc1ccccc1S(=O)(=O)N[N+](=O)O to have a higher QED value.,O=[N+](O)NS(=O)(=O)c1ccccc1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCCCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
BondNum,"The molecule has 14 single bonds, 1 double bond, 6 rotatable bonds, and 23 aromatic bonds.",COc1ccc(Cn2c(=O)ccc3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4)nc32)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ester group, 1 thioether group, and 1 sulfide group.",COc1ccc2c(c1)CC(Sc1ccc(OCC[NH+]3CCCCC3)cc1)C1C2CCC2(C)C(OC(C)=O)CCC12
AddComponent,Modify the molecule CC([NH3+])c1ccc(Oc2ccc(CO)cc2)c(F)c1 by adding a carboxyl.,CC([NH3+])c1cc(F)c(Oc2ccc(CO)cc2)c(C(=O)O)c1
SubComponent,Modify the molecule Nc1ccc(C(F)(C(F)(F)F)C(F)(F)Br)cc1S(=O)(=O)C(F)(F)F by substituting a halo with a aldehyde.,CC(=O)C(c1ccc(N)c(S(=O)(=O)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)Br
DelComponent,Modify the molecule benzene ring by removing a Oc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1O.,OOC[NH2+]C12CC3CC(CC(C3)C1)C2
LogP,Please optimize the molecule CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)N4CC(=O)Nc5ccccc54)cc3)cc2C1=O to have a lower LogP value.,CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)N4CC(=O)Nc5ccccc54)cc3N)cc2C1=O
MR,Modify the molecule COc1ccccc1C1CC(CO)=NN1 to decrease its MR value.,COc1ccccc1C1CC(C)=NN1
QED,Please optimize the molecule N#Cc1sccc1NN=C(c1ccccc1)c1ccccc1 to have a lower QED value.,O=C([OH])c1sccc1NN=C(c1ccccc1)c1ccccc1
AtomNum,"The molecule is composed of 11 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 chlorine atoms.",CC(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1
BondNum,"There is a molecule with 15 single bonds, 1 double bond, 2 rotatable bonds, and 5 aromatic bonds.",CC(=O)N1CCC(c2nc(C3CCOC3)no2)CC1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 halo group, and 1 sulfone group.",COc1ccc(OCCC[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1
AddComponent,Add a amine to the molecule CCCOc1c(Cl)cc(C=C2N=C(c3cccc(Br)c3)OC2=O)cc1OCC.,CCCOc1c(Cl)cc(C=C2N=C(c3cccc(Br)c3)OC2=O)cc1OCCN
SubComponent,Please substitute a halo in the molecule C[NH+]1C2CCC1CC(OC(=O)c1cccc(Cl)c1Cl)C2 with a carboxyl.,C[NH+]1C2CCC1CC(OC(=O)c1cccc(C(=O)[OH])c1Cl)C2
DelComponent,Modify the molecule FC(F)c1c(I)ccc2cc(CCl)sc12 by removing a halo.,FC(F)c1cccc2cc(CCl)sc12
LogP,Please optimize the molecule CC1(C)C[NH+](CC2CCCCC2)Cc2cc(N)ccc21 to have a higher LogP value.,CC1(C)C[NH+](CC2CCCCC2)Cc2ccccc21
MR,Please optimize the molecule CC([NH2+]CC(O)COc1c(Cl)cccc1Cl)c1ccc(S(N)(=O)=O)cc1 to have a higher MR value.,CC([NH2+]CC(O)COc1c(Cl)cccc1NO)c1ccc(S(N)(=O)=O)cc1
QED,Modify the molecule C[NH2+]CCN1CCC(CNC(=O)c2cc(Cl)c(OC)c3c2OCCCO3)C(OC)C1 to decrease its QED value.,C[NH2+]CCN1CCC(CNC(=O)c2cc(S)c(OC)c3c2OCCCO3)C(OC)C1
AtomNum,"There is a molecule with 13 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COC(=O)C1CN(C(=O)c2cc(C(C)=O)c[nH]2)CCO1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",CC(Cn1ccnc1)Nc1ccc(F)cc1C(N)=S
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amine group, and 1 halo group.",CCOc1ccc(C=NNc2ccc(F)cc2)cc1
AddComponent,Modify the molecule Cc1c(Cl)cccc1S(=O)(=O)NCc1nc(N(C)C)nc(N2CCCCC2)n1 by adding a hydroxyl.,Cc1c(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)ccc(O)c1Cl
SubComponent,Substitute a halo in the molecule CCOC(=O)c1sc2cccc(F)c2c1CNc1ccccc1C(N)=O with a hydroxyl.,CCOC(=O)c1sc2cccc(O)c2c1CNc1ccccc1C(N)=O
DelComponent,Please remove a benzene ring from the molecule Cc1cccc(C(C[NH3+])N(C)CC(F)(F)F)c1.,CC(C[NH3+])N(C)CC(F)(F)F
LogP,Please modify the molecule O=C(CCc1ccccc1O)NC(CCO)C1CC1 to increase its LogP value.,OCCC(Cc1ccccc1O)C1CC1
MR,Optimize the molecule [N-]=[N+]=NC(=O)Nc1ccc(Cl)cc1 to have a higher MR value.,[N-]=[N+]=NC(=O)Nc1ccc(NO)cc1
QED,Modify the molecule CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccc(C(C)(C)C)cc2)c1 to have a lower QED value.,CCOc1cccc(CN2C(=O)C(C(=O)[OH])=C(C(=O)c3cccs3)C2c2ccc(C(C)(C)C)cc2)c1
AtomNum,"The molecule contains 13 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCCOCCOC1CCCCCCC1[NH3+]
BondNum,"Please generate a molecule composed of 4 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 17 aromatic bonds.",N#Cc1c(N=Cc2ccccc2)n[nH]c1-c1ccccc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 3 halo groups, and 1 sulfide group.",[NH3+]Cc1ccc(Sc2ccccc2)cc1C(F)(F)F
AddComponent,Please add a hydroxyl to the molecule C[NH2+]C(COCCC1CC1)c1cccc(C)c1.,C[NH2+]C(COCC(O)C1CC1)c1cccc(C)c1
SubComponent,Please substitute a COc1c2ccccc2c(OC)c2cc(S(=O)(=O)OC(Cl)c3ccccc3)ccc12 in the molecule halo with a thiol.,COc1c2ccccc2c(OC)c2cc(S(=O)(=O)OC(S)c3ccccc3)ccc12
DelComponent,Remove a amine from the molecule CCn1ncc2c(NC3CCC(=O)CC3)c(C3=NOC4(CCC4)C3)c[nH+]c21.,CCn1ncc2c(C3CCC(=O)CC3)c(C3=NOC4(CCC4)C3)c[nH+]c21
LogP,Modify the molecule CCC(C)[NH+](CCOC)CC(O)C(C)C to have a lower LogP value.,CCC(C)[NH+](CCOCO)CC(O)C(C)C
MR,Modify the molecule O=C(CCC1CCCCC1)NC1CCCC1CCl to have a higher MR value.,O=C(CCC1CCCCC1)NC1CCCC1CS
QED,Modify the molecule CC(C)C(NC(=O)C(NC(=O)CC1C2CC3CC(C2)CC1C3)c1ccccc1)C(=O)C(F)(F)F to have a higher QED value.,CC(C)C(NC(=O)CNC(=O)CC1C2CC3CC(C2)CC1C3)C(=O)C(F)(F)F
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 2 fluorine atoms, and 1 chlorine atom.",CCCCN(CCCl)C(=O)c1cc(F)cc(F)c1
BondNum,"The molecule consists of 10 single bonds, 6 double bonds, 8 rotatable bonds, and 22 aromatic bonds.",Cc1ccc(S(=O)(=O)ONC(=O)C=Cc2ccn(S(=O)(=O)c3ccc(-c4ccccn4)s3)c2)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ketone group, 1 amide group, and 1 sulfide group.",CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccc(OC(C)C)c4)C3c3cccnc3)sc2c1
AddComponent,Please add a benzene ring to the molecule CCNc1cc(C(=O)Nc2nnc(C)c(C)n2)cc(Cl)n1.,Cc1nnc(NC(=O)c2cc(Cl)nc(NCCc3ccccc3)c2)nc1C
SubComponent,Modify the molecule halo by substituting a C[NH+](Cc1ccccc1)Cc1cc(C(=O)NCc2cccc(F)c2F)no1 with a nitro.,C[NH+](Cc1ccccc1)Cc1cc(C(=O)NCc2cccc(NO)c2F)no1
DelComponent,Remove a amide from the molecule CCOc1c(C(C)=CC(=O)Nc2cccc(C)n2)cc2c(-c3cccc4ccccc34)coc2c1C.,CCOc1c(C(C)c2cccc(C)n2)cc2c(-c3cccc4ccccc34)coc2c1C
LogP,Modify the molecule CCNc1cc(Cl)nc(-c2cccnc2)n1 to increase its LogP value.,CCc1cc(Cl)nc(-c2cccnc2)n1
MR,Please optimize the molecule CCOC(=O)C[N+](C)(CC(=O)OCC)C(N)=O to have a higher MR value.,CCOC(=O)C[N+](C)(C(N)=O)C(O)C(=O)OCC
QED,Modify the molecule CCS(=O)C1CCCC(NC(NCC2CCN(C(=O)OC(C)(C)C)CC2)=[NH+]C)C1 to have a lower QED value.,CCS(=O)C1CCCC(NC(NCC2CCN(C(=O)OC(C)(C)C)CC2)=[NH+]C)C1c1ccccc1
AtomNum,"The molecule has 15 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CC(=O)c1c[nH]c(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)c1
BondNum,"There is a molecule consisting of 9 single bonds, 1 rotatable bond, and 6 aromatic bonds.",CC(C)N1CCNc2c[nH+]cc(Cl)c21
FunctionalGroup,There is a molecule consisting of and 2 benzene ring groups.,COc1cc(C(=O)[O-])ccc1-c1cccc(NC(=O)OC(C)(C)C)c1
AddComponent,Modify the molecule CC(C[NH3+])N1CCOC2CCCCC21 by adding a benzene ring.,CC(C[NH3+])N1CCOC2(c3ccccc3)CCCCC12
SubComponent,Please substitute a halo in the molecule CCN(Cc1ccc(Cl)s1)C(=O)c1cc(N)c(Cl)c(Cl)c1 with a nitro.,CCN(Cc1ccc(NO)s1)C(=O)c1cc(N)c(Cl)c(Cl)c1
DelComponent,Remove a benzene ring from the molecule COc1ccc(C=Cc2ccc(C(c3ccc(C=Cc4ccc(OC)cc4)s3)(c3ccc(C=Cc4ccc(OC)cc4)s3)c3ccc(C=Cc4ccc(OC)cc4)s3)s2)cc1.,COC=Cc1ccc(C(c2ccc(C=Cc3ccc(OC)cc3)s2)(c2ccc(C=Cc3ccc(OC)cc3)s2)c2ccc(C=Cc3ccc(OC)cc3)s2)s1
LogP,Please modify the molecule COC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(C)cc1 to decrease its LogP value.,COC(=O)CC1C(=O)NCCN1S(C)(=O)=O
MR,Please optimize the molecule NC(=O)CCC(NC(=O)C1CC[NH2+]C1)C(=O)[O-] to have a lower MR value.,NC(=O)CCC(C(=O)[O-])C1CC[NH2+]1
QED,Please modify the molecule O=C(Cl)c1cccn2ccnc12 to decrease its QED value.,O=Cc1cccn2ccnc12
AtomNum,"There is a molecule consisting of 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCC[NH+]1CCCC(C(C)[NH2+]C(C)C(=O)N(CC)CC)C1
BondNum,"There is a molecule consisting of 6 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",Cn1ccnc1SC(C[NH3+])c1ccsc1
FunctionalGroup,"Please generate a molecule composed of 1 nitro group, and 2 halo groups.",O=[N+]([O-])c1nn(CCCCCBr)cc1Cl
AddComponent,Please add a benzene ring to the molecule CC[NH2+]C(Cc1cncs1)c1csc2ccccc12.,CC[NH2+]C(Cc1cncs1)(c1ccccc1)c1csc2ccccc12
SubComponent,Please substitute a halo in the molecule FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CN=C(c2ccc(-n3cnnn3)cc2)C1 with a hydroxyl.,OC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CN=C(c2ccc(-n3cnnn3)cc2)C1
DelComponent,Please remove a amide from the molecule COC(=O)c1c(NC(=O)COC(=O)C=Cc2ccc(OCC#N)c(OC)c2)sc(C)c1C.,COC(=O)c1c(OC(=O)C=Cc2ccc(OCC#N)c(OC)c2)sc(C)c1C
LogP,Please optimize the molecule Cc1cccc(Cl)c1C1CC(c2csc(C3CCN(C(=O)CCl)CC3)n2)=NO1 to have a lower LogP value.,CC(=O)c1cccc(C)c1C1CC(c2csc(C3CCN(C(=O)CCl)CC3)n2)=NO1
MR,Optimize the molecule COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1Cc1ccccc1 to have a higher MR value.,COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1Cc1cccc(O)c1
QED,Modify the molecule O=c1c(-c2ccccc2)c([O-])c2ccc([N+](=O)[O-])cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 to decrease its QED value.,O=c1c(-c2ccccc2)c([O-])c2ccc([N+](=O)[O-])cc2n1Cc1ccc(-c2cccc(-c3ccccc3)c2-c2nn[n-]n2)cc1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",CCOc1ccccc1C1SCC(=O)N1CCCSC
BondNum,"There is a molecule with 8 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1cccc(CC([NH3+])c2cc(C)ccc2Br)c1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 5 amide groups.",CCC(=O)Nc1cccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccccc3C(N)=O)CC2)c1
AddComponent,Modify the molecule CCOc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c([N+](=O)[O-])cc1OC by adding a benzene ring.,CCOc1cc(C(=O)Nc2cnc3c(cnn3C(C)Cc3ccccc3)c2)c([N+](=O)[O-])cc1OC
SubComponent,Substitute a halo in the molecule CCC([NH3+])CCCc1sccc1Br with a aldehyde.,CC(=O)c1ccsc1CCCC([NH3+])CC
DelComponent,Remove a halo from the molecule CCc1cccc(CC)c1NC(=O)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O.,CCc1cccc(CC)c1NC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O
LogP,Please modify the molecule COCC[NH2+]Cc1ccc(OCc2cnc(C)s2)c(F)c1 to decrease its LogP value.,COCC[NH2+]Cc1ccc(OCc2cnc(C)s2)cc1
MR,Modify the molecule CON1C(=O)C2CC#CC=CC#CC(C)C21 to increase its MR value.,CC1C#CC=CC#CCC2C(=O)N(OCc3ccccc3)C12
QED,Please optimize the molecule O=Cc1c(Cl)ccc2sc(C(F)F)cc12 to have a higher QED value.,Nc1c(C(F)F)sc2ccc(Cl)c(C=O)c12
AtomNum,"Please generate a molecule consisting 40 carbon atoms, 10 oxygen atoms, and 2 nitrogen atoms.",CCCOC(=O)c1ccc2c(c1)C(=O)N(Cc1cccc(CN3Cc4ccc(C(=O)OCCOC(=O)c5ccc(C(=O)OC)cc5)cc4C3=O)c1)C2
BondNum,"The molecule has 4 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",CC(C)Oc1nncc2ccccc12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 halo group.",Cc1ccccc1C[NH+](C)CC1CC(Br)C1
AddComponent,Please add a benzene ring to the molecule CCNC(NC(C)Cc1c(C)nn(C)c1C)=[NH+]CC(C)Oc1ccc(F)cc1.,CCNC(NC(C)Cc1c(C)nn(C)c1Cc1ccccc1)=[NH+]CC(C)Oc1ccc(F)cc1
SubComponent,Substitute a Cc1cc(Br)ccc1NC(=O)NCc1ccnc(-n2cccn2)c1 in the molecule halo with a nitrile.,Cc1cc(C#N)ccc1NC(=O)NCc1ccnc(-n2cccn2)c1
DelComponent,Modify the molecule CCCc1cccc(C([NH3+])c2cnc3ccsc3c2)c1 by removing a benzene ring.,CCCC([NH3+])c1cnc2ccsc2c1
LogP,Modify the molecule Fc1ccc(NC(c2ccc(F)cc2)C2CC2)cc1 to have a lower LogP value.,Fc1ccc(C(c2ccc(F)cc2)C2CC2)cc1
MR,Please modify the molecule CC(Cl)C(C)(C)NC(=O)c1nn(C)c2ccccc12 to increase its MR value.,CC(C(=O)[OH])C(C)(C)NC(=O)c1nn(C)c2ccccc12
QED,Please modify the molecule C#CC[NH2+]CC(=O)c1ccc(OC)c(Br)c1OC to decrease its QED value.,CC(=O)c1c(OC)ccc(C(=O)C[NH2+]CC#C)c1OC
AtomNum,"There is a molecule composed of 20 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CCOc1ccc(NC(=O)Cn2ccn(-c3ccc(OC)cc3)c2=O)cc1
BondNum,"Please generate a molecule composed of 8 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC(Br)C(=O)c1ccc2c(c1)CC(=O)N2
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 thioether group, and 1 sulfide group.",C=CCn1c(SCC(=O)N(C)C)nnc1-c1cccc(C)c1
AddComponent,Please add a hydroxyl to the molecule C#CCCSc1ccc(C(=O)[O-])o1.,C#CCCSc1oc(C(=O)[O-])cc1O
SubComponent,Modify the molecule COc1ccc(C([O-])=C2C(=O)C(=O)N(CC[NH+](C)C)C2c2ccccc2F)cc1Cl by substituting a halo with a thiol.,COc1ccc(C([O-])=C2C(=O)C(=O)N(CC[NH+](C)C)C2c2ccccc2S)cc1Cl
DelComponent,Please remove a c1ccc2sc(NCc3ccn(C4CCCC4)n3)nc2c1 from the molecule amine.,c1ccc2sc(Cc3ccn(C4CCCC4)n3)nc2c1
LogP,Optimize the molecule Cc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)nc3c2oc2ccccc23)cc1-c1ccccc1Oc1ccccc1 to have a higher LogP value.,Cc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)nc3c2oc2ccccc23)c(-c2ccccc2)c1-c1ccccc1Oc1ccccc1
MR,Optimize the molecule O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C3CC(Oc4cccc(C(=O)NC5CCC6C7CCCC8CCCC(C9CCCC5C96)C87)c4)C4C5C(Oc6cccc(C(=O)NC7CCC8C9CCCC%10CCCC(C%11CCCC7C%118)C%109)c6)CC6C(=O)N(c7cc(C(=O)[O-])cc(C(=O)[O-])c7)C(=O)C7CC(Oc8cccc(C(=O)NC9CCC%10C%11CCCC%12CCCC(C%13CCCC9C%13%10)C%12%11)c8)C(C8C(Oc9cccc(C(=O)NC%10CCC%11C%12CCCC%13CCCC(C%14CCCC%10C%14%11)C%13%12)c9)CC(C2=O)C3C48)C5C67)c1 to have a higher MR value.,O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C3CC(Oc4cccc(C(=O)NC5CCC6C7CCCC8CCCC(C9CCCC5C96)C87)c4)C4C5C(Oc6cccc(C(=O)NC7CCC8C9CCCC%10CCCC(C%11CCCC7C%118)C%109)c6)CC6C(=O)N(c7cc(C(=O)[O-])cc(C(=O)[O-])c7)C(=O)C7CC(Oc8cccc(C(=O)NC9CCC%10C%11CCCC%12CCCC(C%12%11)C%11CCCC9C%11%10c9ccccc9)c8)C(C8C(Oc9cccc(C(=O)NC%10CCC%11C%12CCCC%13CCCC(C%14CCCC%10C%14%11)C%13%12)c9)CC(C2=O)C3C48)C5C67)c1
QED,Optimize the molecule c1ccc(N2Cc3ccccc3N(c3ccccc3)Cc3ccccc32)cc1 to have a higher QED value.,c1ccc(N2Cc3ccccc3NCc3ccccc32)cc1
AtomNum,"The molecule is composed of 21 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(=O)c2ccccc2)c1
BondNum,"There is a molecule with 25 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC(=O)N1c2ccc(C(C[NH3+])C[NH2+]C3CC[NH2+]CC3)cc2N(C(=O)OC(C)C)CC1C
FunctionalGroup,"There is a molecule with 1 hydroxyl group, 1 amide group, and 1 sulfide group.",CC(C)Oc1c(C(N)=O)sc2cccc(O)c12
AddComponent,Please add a benzene ring to the molecule CC(C)CCc1c([O-])nc(SCC(=O)N2CCCCC2)[nH]c1=O.,CC(C)CCc1c([O-])nc(SCC(=O)N2CCCCC2c2ccccc2)[nH]c1=O
SubComponent,Substitute a halo in the molecule NNC(CC1Cc2ccccc21)c1ccccc1F with a aldehyde.,CC(=O)c1ccccc1C(CC1Cc2ccccc21)NN
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(CC(C[NH3+])c2cccs2)cc1Br.,COC(Br)C(C[NH3+])c1cccs1
LogP,Modify the molecule COCC(=O)CC(=O)c1cccc(C#N)c1 to have a lower LogP value.,COCC(=O)CC(=O)C#N
MR,Please modify the molecule CN(C)C(=O)c1sc2cnc(Nc3ccc(N4CC5CC(C4)[NH+]5C)cn3)nc2c1C1CCCC1 to decrease its MR value.,CN(C)C(=O)c1sc2cnc(-c3ccc(N4CC5CC(C4)[NH+]5C)cn3)nc2c1C1CCCC1
QED,Optimize the molecule CC=C1CCC2C3CCC4CC(O)(COC)CCC4C3CCC12C to have a lower QED value.,CC(=O)C1(COC)CCC2C(CCC3C2CCC2(C)C(=CC)CCC32)C1
AtomNum,"There is a molecule with 23 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",CC(C)(C)OC(=O)NC1CCCCC1N(c1ccc(C#N)cc1F)C1CCC[NH2+]C1
BondNum,"The molecule consists of 15 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cc1cccc(-n2ncc(C(=O)N3CCCC(CCC(=O)[O-])C3)c2C)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 halo groups, 1 sulfide group, and 1 sulfone group.",[N-]=[N+]=Nc1cc(F)c(S(=O)(=O)N(C(=O)[O-])c2cscn2)c(F)c1
AddComponent,Please add a carboxyl to the molecule CCOC(=O)CNC(=O)Cn1c(-c2cccc(Cl)c2)nc2cccnc21.,CCOC(=O)CNC(=O)Cn1c(-c2cccc(Cl)c2C(=O)O)nc2cccnc21
SubComponent,Modify the molecule halo by substituting a CCN(c1ccc(C)cc1)c1nc(Cl)ncc1C with a nitrile.,CCN(c1ccc(C)cc1)c1nc(C#N)ncc1C
DelComponent,Please remove a amide from the molecule CC(C)CCNC(=O)CCC(=O)N1CCCCCC1.,CC(C)CCNC(=O)CC1CCCCC1
LogP,Modify the molecule CCC(C)(C)CCc1ccccc1OC to decrease its LogP value.,CCC(C)(C)CCc1cc(N)ccc1OC
MR,Optimize the molecule Cc1ccc(C(=O)N(C)c2cccc(C(N)=S)c2)cc1F to have a higher MR value.,Cc1ccc(C(=O)N(C)c2cccc(C(N)=S)c2)cc1NO
QED,Please optimize the molecule CCC1CC2C=CC1(CN1C(=O)C=CC1=O)C2 to have a higher QED value.,CCC1CC2C=CC1(CC(C)=O)C2
AtomNum,"Please generate a molecule with 37 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 2 phosphorus atoms.",O=[N+]([O-])c1nccn1CC(O)CN(CCCC[NH2+]CCCNP(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
BondNum,"The molecule is composed of 13 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCSCC2)cc1C
FunctionalGroup,There is a molecule with and 1 amide group.,Cc1cc(CNC(=O)CCc2n[nH]c(C)c2C)n(C)n1
AddComponent,Add a carboxyl to the molecule COc1ccccc1CC(C[NH3+])C(=O)NC1CC1.,COc1c(CC(C[NH3+])C(=O)NC2CC2)cccc1C(=O)O
SubComponent,Please substitute a CCCCCCCCCCC(C)(O)C(N)=O in the molecule hydroxyl with a nitro.,CCCCCCCCCCC(C)(NO)C(N)=O
DelComponent,Remove a halo from the molecule CC(CBr)Cc1ccsc1Cl.,CC(C)Cc1ccsc1Cl
LogP,Please optimize the molecule O=C([O-])C=C(Cc1cc(Cl)cc(Cl)c1)C(F)(F)F to have a lower LogP value.,O=C([O-])C=C(Cc1cc(Cl)cc(Cl)c1O)C(F)(F)F
MR,Modify the molecule Cn1cc([O-])n(CCBr)c1=O to have a lower MR value.,Cn1cc([O-])n(CCC#N)c1=O
QED,Optimize the molecule CCCCCC(=O)NC(=S)Nc1ccc2c(c1)OCCO2 to have a higher QED value.,CCCCCC(=O)NC(=S)c1ccc2c(c1)OCCO2
AtomNum,"The molecule contains 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCOC(=O)C1(N2CC[NH2+]CC2)CCCCC1C
BondNum,"The molecule contains 9 single bonds, 2 double bonds, 4 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(C(=O)Nc2scc(-c3ccc(C)c(C)c3)c2C(=O)[O-])cc1
FunctionalGroup,The molecule contains and 1 benzene ring group.,CC[NH2+]Cc1nc(C)ccc1OCC=Cc1ccccc1
AddComponent,Modify the molecule CC([NH3+])C1CCCCN1Cc1ccccc1OC(F)F by adding a benzene ring.,CC([NH3+])(c1ccccc1)C1CCCCN1Cc1ccccc1OC(F)F
SubComponent,Modify the molecule CC(NC(=O)c1ccccc1F)C(=O)Nc1cc(Br)ccc1N1CC[NH2+]CC1 by substituting a halo with a carboxyl.,CC(NC(=O)c1ccccc1C(=O)[OH])C(=O)Nc1cc(Br)ccc1N1CC[NH2+]CC1
DelComponent,Modify the molecule benzene ring by removing a COCC(C)CNc1ccc(C=O)cc1[N+](=O)[O-].,COCC(C)CN(C=O)[N+](=O)[O-]
LogP,Please modify the molecule CSc1ccc2cc(COc3ccc(-c4ccc(C#N)cc4)cc3)c(Cl)nc2c1 to decrease its LogP value.,CSc1ccc2cc(COc3ccc(-c4ccc(C#N)cc4)cc3CC=O)c(Cl)nc2c1
MR,Please optimize the molecule CCCC(CCC)C(Cl)c1cnn(-c2ccccc2)c1 to have a higher MR value.,CCCC(CCC)C(Cl)c1cnn(-c2ccc(-c3ccccc3)cc2)c1
QED,Please modify the molecule CCNc1cc(NCC(N)=O)ncn1 to decrease its QED value.,CCNc1cc(NC(C(N)=O)C(=O)O)ncn1
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1
BondNum,"There is a molecule with 19 single bonds, 4 double bonds, 12 rotatable bonds, and 12 aromatic bonds.",CCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O
FunctionalGroup,"Please generate a molecule composed of 1 ketone group, and 1 amine group.",CN[N+]12C3=C4C=CC(C3)OC(C)(C=CCn3c5c(c6c7c(c4c1c63)C=NC=7)C(=O)CCC=5)C2OC
AddComponent,Please add a carboxyl to the molecule CCOC(=O)C[NH2+]C(CC1CCCCC1)C(=O)N1CCCCC1CCOc1ccc(C(N)=[NH2+])cc1.,CCOC(=O)C[NH2+]C(C(=O)N1CCCCC1CCOc1ccc(C(N)=[NH2+])cc1)C(C(=O)O)C1CCCCC1
SubComponent,Modify the molecule nitro by substituting a Cc1cccc(C=NNC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])n1 with a thiol.,Cc1cccc(C=NNC(=O)c2nn(Cc3cccc(Br)c3)cc2[SH]=O)n1
DelComponent,Modify the molecule benzene ring by removing a Clc1ccccc1CSc1ccncc1Br.,ClCSc1ccncc1Br
LogP,Optimize the molecule COCC[NH+]1CCC(C[NH+](Cc2ccc(Cl)s2)CC2CCCO2)CC1 to have a lower LogP value.,COCC[NH+]1CCC(C[NH+](Cc2ccc(Cl)s2)CC2CCC(CC=O)O2)CC1
MR,Optimize the molecule Cc1sc(NC2COc3ccccc32)nc1C(=O)[O-] to have a lower MR value.,Cc1sc(C2COc3ccccc32)nc1C(=O)[O-]
QED,Modify the molecule CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-] to increase its QED value.,CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCC(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]
AtomNum,"There is a molecule composed of 19 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 iodine atom.",CCN(C(=O)COC(=O)CNC(=O)c1ccccc1I)c1ccccc1
BondNum,"Please generate a molecule consisting 27 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCOc1ncc(C2(O)CCC([NH+]3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1
FunctionalGroup,The molecule consists of and 1 halo group.,CCC([NH2+]C(C)c1ccc(F)cn1)c1ncc[nH]1
AddComponent,Add a amine to the molecule C[NH2+]CC1(C[NH+]2CCC3(CCCC3)CC2)CCCOC1.,C[NH2+]CC1(C[NH+]2CCC3(CCCC3)C(N)C2)CCCOC1
SubComponent,Modify the molecule halo by substituting a CCC(C)Oc1cccc(Br)c1C(N)=[NH2+] with a carboxyl.,CCC(C)Oc1cccc(C(=O)[OH])c1C(N)=[NH2+]
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(S(=O)(=O)NC2CCCCCC2C)cc1N.,CNS(=O)(=O)NC1CCCCCC1C
LogP,Modify the molecule Cc1cc(C(C#N)c2ccccc2F)nc(Nc2ccc(C#N)cc2)n1 to have a lower LogP value.,Cc1cc(C(O)c2ccccc2F)nc(Nc2ccc(C#N)cc2)n1
MR,Modify the molecule O=C(NCCc1cncnc1)Nc1cccc(C(F)(F)F)c1 to have a lower MR value.,O=C(NCCc1cncnc1)NC(F)(F)F
QED,Modify the molecule COCCC(C)(Nc1ccccc1Cl)C(=O)[O-] to decrease its QED value.,COCCC(C)(Nc1ccccc1O)C(=O)[O-]
AtomNum,"The molecule has 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 4 fluorine atoms.",CN(CCOc1ccccc1F)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
BondNum,"There is a molecule with 12 single bonds, 4 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(S(=O)(=O)N2CC(C=Cc3ccc(Cl)cc3)OC2=S)cc1
FunctionalGroup,"Please generate a molecule with 2 amine groups, 1 halo group, 1 sulfide group, and 1 sulfone group.",O=S(=O)(NCC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)N1CCCCC1
AddComponent,Please add a benzene ring to the molecule CCC1(C(=O)[O-])CCCN(C(=O)Cc2ccc(N)cn2)C1.,CCC1(C(=O)[O-])CCCN(C(=O)C(c2ccccc2)c2ccc(N)cn2)C1
SubComponent,Please substitute a COc1cc(-c2coc3cc(OC)c([O-])c(=O)c-3c2[O-])cc(O)c1OC in the molecule hydroxyl with a nitro.,COc1cc(-c2coc3cc(OC)c([O-])c(=O)c-3c2[O-])cc(NO)c1OC
DelComponent,Please remove a C=NC=CC(C(=O)[O-])=C(C)[NH2+]CC1CCCc2cc(N(C)c3ccc(COC)cc3)ccc21 from the molecule benzene ring.,C=NC=CC(C(=O)[O-])=C(C)[NH2+]CC1CCCc2cc(N(C)COC)ccc21
LogP,Modify the molecule CC(C)CC(NC(=O)CNC(=O)C([NH3+])CS)C(=O)NC(CC(=O)[O-])C(=O)[O-] to have a higher LogP value.,CC(C)CC(NC(=O)CNC(=O)C([NH3+])CBr)C(=O)NC(CC(=O)[O-])C(=O)[O-]
MR,Modify the molecule COc1ccc(Oc2cc(N)cc(OC(C)C)c2)c(Br)c1 to decrease its MR value.,COc1ccc(Oc2cc(N)cc(OC(C)C)c2)cc1
QED,Please optimize the molecule CCc1nn(C)cc1C(=O)c1cscc1C(F)(F)F to have a lower QED value.,CCc1nn(C)cc1C(=O)c1cscc1C(F)F
AtomNum,"There is a molecule consisting of 14 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",COc1ccc2c(c1)C([NH3+])CC(CC(C)C)O2
BondNum,"The molecule contains 11 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1OC(C)(c1ccc(Cl)cc1)C(O)C[NH3+]
FunctionalGroup,"The molecule contains 21 hydroxyl groups, 2 amide groups, and 3 amine groups.",CC(N=C(O)C1CCCN1C(=O)C(CO)N=C(O)C(CC(=O)[O-])N=C(O)CN=C(O)C(CCCNC(N)=[NH2+])N=C(O)CN=C(O)C(N=C(O)C(N=C(O)C(Cc1c[nH]c2ccccc12)N=C(O)C1CC(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(Cc2c[nH]c3ccccc23)C(O)=NC(Cc2cnc[nH]2)C(O)=NCC(O)=NC(C(C)O)C(O)=NC(C)C(=O)N2CCCC2C(O)=N1)C(C)C)C(C)O)C(=O)[O-]
AddComponent,Add a aldehyde to the molecule Cc1[nH]c(Cc2cccc(Br)c2)nc1-c1ccc(Cl)cc1Cl.,Cc1[nH]c(Cc2cc(Br)cc(CC=O)c2)nc1-c1ccc(Cl)cc1Cl
SubComponent,Please substitute a hydroxyl in the molecule CCC1OC(C(C(=O)[O-])C(=O)[O-])C(O)C(O)C1O with a halo.,CCC1OC(C(C(=O)[O-])C(=O)[O-])C(I)C(O)C1O
DelComponent,Remove a benzene ring from the molecule CCN1C(=O)C(=Cc2cn(CCCOc3ccccc3)c3ccccc23)N(C)C1=S.,CCN1C(=O)C(=Cc2cn(CCCO)c3ccccc23)N(C)C1=S
LogP,Please modify the molecule OC(c1ccc(F)c(Cl)c1)C1CCOC1 to decrease its LogP value.,OC(F)(Cl)C1CCOC1
MR,Please optimize the molecule CC(C)CCS(=O)(=O)N(C)C(C)c1cccc(N)c1 to have a lower MR value.,CC(C)CCS(=O)(=O)N(C)C(C)N
QED,Optimize the molecule CC(C)C(C)c1onc(N)c1-c1ccc(Br)cc1 to have a lower QED value.,CC(C)C(C)(c1ccccc1)c1onc(N)c1-c1ccc(Br)cc1
AtomNum,"The molecule is composed of 24 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",COc1ccccc1C(NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1nccn1C
BondNum,"Please generate a molecule with 5 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",CN(Cc1ccc2ccccc2c1)C(=O)c1cnccn1
FunctionalGroup,"Please generate a molecule composed of 2 hydroxyl groups, and 2 amine groups.",CN(CCO)c1nnccc1C(N)=[NH+]O
AddComponent,Please add a hydroxyl to the molecule O=C(Nc1ccon1)C1CCN(c2ccc(-n3cncn3)nn2)CC1.,O=C(Nc1ccon1)C1(O)CCN(c2ccc(-n3cncn3)nn2)CC1
SubComponent,Modify the molecule halo by substituting a CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)[O-])c1ccc(Cl)c(Cl)c1 with a aldehyde.,CC(=O)c1ccc(C(Oc2c(CCC)cc(Cn3c(CC)nc4c(C)cc(C)nc43)cc2CCC)C(=O)[O-])cc1Cl
DelComponent,Remove a benzene ring from the molecule COc1ccc(NC(=O)COc2ccccc2C(=O)Nc2cccnc2)cc1Cl.,COc1ccc(NC(=O)COC(=O)Nc2cccnc2)cc1Cl
LogP,Please modify the molecule CCCc1c(NC)ncnc1Oc1cccc([N+](=O)[O-])c1 to increase its LogP value.,CCCc1c(C)ncnc1Oc1cccc([N+](=O)[O-])c1
MR,Please optimize the molecule Cc1nn(-c2ccccc2)cc1S(=O)(=O)Nc1nccs1 to have a higher MR value.,Cc1nn(-c2cccc(C#N)c2)cc1S(=O)(=O)Nc1nccs1
QED,Please optimize the molecule O=C(NCc1ccc(CC2C=NC=[NH+]2)cc1)Nc1cccc(Cl)c1 to have a lower QED value.,O=C(NCc1ccc(CC2C=NC=[NH+]2)cc1)Nc1ccccc1
AtomNum,"The molecule is composed of 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC(C)(C)OC(=O)N1CCC2(CC1)CC(F)CC[NH2+]2
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCN(C(=O)C(C)(C)C(=O)NC(C)C)c1ccccc1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 1 ketone group.",C=C(CC(C)(C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)CC1c2cc(OC)c(OC)cc2CCN1C(=O)OC(C)(C)C
AddComponent,Add a benzene ring to the molecule CC1=NCC[NH2+]C(C)=C1[NH+]1CCCCC1.,CC1=NCC[NH2+]C(C)=C1[NH+]1CCCC(c2ccccc2)C1
SubComponent,Please substitute a Cc1cc2nc(N)nnc2cc1-c1ccc(Cl)s1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(-c2cc3nnc(N)nc3cc2C)s1
DelComponent,Please remove a amide from the molecule COC(=O)c1ccc(C(C)CNc2cc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)ncn2)c(OC)c1.,COC(=O)c1ccc(C(C)CNc2cc(-c3ccc(N4CCCC4)nc3)ncn2)c(OC)c1
LogP,Modify the molecule Cc1cc(C(C)NS(=O)C(C)(C)C)cnc1Oc1cccc(F)c1 to have a lower LogP value.,Cc1cc(C(C)NS(=O)C(C)(C)C)cnc1Oc1cccc(O)c1
MR,Please optimize the molecule COCCOc1ccc(CC(C)[NH2+]CC(O)c2cccc(Cl)c2)cc1 to have a higher MR value.,COCCOc1ccc(CC(C)[NH2+]CC(O)c2cccc(Cl)c2)c(CC=O)c1
QED,Please modify the molecule C[NH+](C)CCCNc1ccc([N+](=O)[O-])cc1F to increase its QED value.,C[NH+](C)CC(CNc1ccc([N+](=O)[O-])cc1F)c1ccccc1
AtomNum,"The molecule consists of 18 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)c1c(NC(=O)COC(=O)c2ccn[nH]2)sc2c1CCC(C)C2
BondNum,"The molecule contains 16 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC1(C)OC2(CCCCC2)N(Oc2ccccc2F)C1=O
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 1 amine group, and 2 halo groups.",O=C(Nc1ccnc(Nc2ccncn2)c1)c1c(F)cccc1Br
AddComponent,Please add a benzene ring to the molecule CC(C)(C)c1ccc2c(c1)Sc1cc(C(C)(C)C)ccc1N2c1ccc(I)nc1.,CC(C)(C)c1ccc2c(c1)Sc1cc(C(C)(C)C)cc(-c3ccccc3)c1N2c1ccc(I)nc1
SubComponent,Please substitute a halo in the molecule CC(C)Oc1ccc(C(Br)C(F)(F)F)cc1 with a thiol.,CC(C)Oc1ccc(C(S)C(F)(F)F)cc1
DelComponent,Modify the molecule amide by removing a O=C(Cn1cnc2sccc2c1=O)NC1CCCCC1O.,O=c1c2ccsc2ncn1C1CCCCC1O
LogP,Modify the molecule CN(Cc1cnn(C)c1)C(=O)c1cccc(Br)c1F to have a lower LogP value.,CN(Cc1cnn(C)c1)C(=O)c1cccc(Br)c1
MR,Modify the molecule CCC(=O)c1cc(-c2cccc(CN3OC(CO)C(C(C)O)C3C(=O)CC3CC4CC(C3C)C4(C)C)c2OC)cc(C(F)(F)F)c1 to increase its MR value.,CCC(=O)c1cc(-c2cccc(CN3OC(CO)C(C(C)O)C3C(=O)CC3CC4(N)CC(C3C)C4(C)C)c2OC)cc(C(F)(F)F)c1
QED,Modify the molecule CCCn1ncc(OC)c1C([NH3+])CSc1ccccc1F to decrease its QED value.,CCCn1ncc(OC)c1C([NH3+])CSc1ccccc1C(=O)[OH]
AtomNum,"The molecule is composed of 18 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 4 fluorine atoms, and 1 chlorine atom.",O=C1COc2ccc(-c3cc(C(F)(F)F)nn3-c3cc(Cl)ccc3F)cc2N1
BondNum,"Please generate a molecule with 16 single bonds, 2 double bonds, and 5 rotatable bonds.",CSC1(CNC(=O)C2(C(N)=S)CCCC2)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, and 2 amide groups.",O=C(CCCNC(=O)c1ccc(-n2cccc2)cc1)NO
AddComponent,Modify the molecule Nc1ccc(CCNC(=O)CCc2ccc(OC(F)F)cc2)cc1 by adding a hydroxyl.,Nc1ccc(CC(O)NC(=O)CCc2ccc(OC(F)F)cc2)cc1
SubComponent,Modify the molecule halo by substituting a COc1ccc(C(=O)N(C)CCC2CCCCO2)cc1Br with a aldehyde.,CC(=O)c1cc(C(=O)N(C)CCC2CCCCO2)ccc1OC
DelComponent,Please remove a CONCc1ccc(Cl)cc1[N+](=O)[O-] from the molecule amine.,COCc1ccc(Cl)cc1[N+](=O)[O-]
LogP,Modify the molecule Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)CCc4ccccc4)C3c3ccc(C(C)(C)C)cc3)[nH]c2c1 to have a higher LogP value.,CC(=O)C1=C(C(=O)CCc2ccccc2)C(c2ccc(C(C)(C)C)cc2)N(c2nc3ccc(C)cc3[nH]2)C1=O
MR,Please optimize the molecule Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)n2N)cc1 to have a higher MR value.,Cc1ccc(-c2nnc(SCC(=O)Nc3c(Br)c(C)c(C)n3C3CCCCC3)n2N)cc1
QED,Optimize the molecule CC(=O)NC(CC(=O)NCC1(C(=O)[O-])CC1)c1cccs1 to have a higher QED value.,CC(=O)NC(CC1(C(=O)[O-])CC1)c1cccs1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 5 fluorine atoms.",CC(C)[NH2+]Cc1ncoc1-c1c(F)c(F)c(F)c(F)c1F
BondNum,"The molecule is composed of 22 single bonds, 4 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CNC(=O)c1ccccc1NC(=O)C1CC[NH+](CC(=O)Nc2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2C)CC1
FunctionalGroup,There is a molecule consisting of and 1 hydroxyl group.,CC(C)n1nccc1NC(=O)NCC1(O)CCCc2ccccc21
AddComponent,Modify the molecule COC(=O)Cn1nnnc1Sc1nccn1C by adding a hydroxyl.,Cn1ccnc1Sc1nnnn1CC(=O)OCO
SubComponent,Substitute a halo in the molecule CC(C(=O)[O-])c1ccc2nc(-c3ccc(F)cc3)ccc2c1 with a carboxyl.,CC(C(=O)[O-])c1ccc2nc(-c3ccc(C(=O)[OH])cc3)ccc2c1
DelComponent,Modify the molecule halo by removing a O=C(c1ccc(F)c(F)c1)N1CCCC(c2nc(-c3cccs3)no2)C1.,O=C(c1ccc(F)cc1)N1CCCC(c2nc(-c3cccs3)no2)C1
LogP,Modify the molecule CCC(C)NC(=O)CSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCCOC to have a lower LogP value.,CC(=O)c1ccccc1-c1csc2nc(SCC(=O)NC(C)CC)n(CCCOC)c(=O)c12
MR,Optimize the molecule C=CC(=CC)C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)C(C=C)=C(C)F to have a lower MR value.,C=CC(=CC)C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)C(C=C)=CC
QED,Optimize the molecule CCCSCCC[NH+](C)CC(O)CSc1ccc(F)cc1 to have a lower QED value.,CCCSCCC[NH+](C)CC(O)CSc1ccc(O)cc1
AtomNum,"There is a molecule composed of 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",CCC(C)(C)OC(C)C[NH2+]Cc1cccs1
BondNum,"Please generate a molecule composed of 32 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",CC1(C)OC2C(OCc3ccccc3)C3OCCOCCOCCOCCOC3C(OCc3ccccc3)C2O1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, 1 nitro group, and 1 sulfone group.",O=[N+]([O-])c1cc(S(=O)(=O)NCCc2ncn[nH]2)ccc1[O-]
AddComponent,Add a carboxyl to the molecule CC(C)(C)c1ccc2c(c1)c1ccc3c(c4cc(-n5c6c(c7ccccc75)CCC=C6)ccc4n3-c3ccccc3)c1n2-c1ccccc1.,CC(C)(CC(=O)O)c1ccc2c(c1)c1ccc3c(c4cc(-n5c6c(c7ccccc75)CCC=C6)ccc4n3-c3ccccc3)c1n2-c1ccccc1
SubComponent,Substitute a nitrile in the molecule Cn1c(=O)c2cc(C#N)c(=O)oc2c2ccccc21 with a carboxyl.,Cn1c(=O)c2cc(C(=O)[OH])c(=O)oc2c2ccccc21
DelComponent,Modify the molecule CC(C)(C)c1cc(CBr)ccc1C(=O)[O-] by removing a halo.,Cc1ccc(C(=O)[O-])c(C(C)(C)C)c1
LogP,Modify the molecule C=Cc1ccc(C=CCOOCC)cc1 to have a lower LogP value.,C=CC=CCOOCC
MR,Modify the molecule CCn1ccnc1C1OCCCC1C(=O)Nc1nc2c(Cl)cccc2s1 to have a higher MR value.,CCn1ccnc1C1OCCCC1C(=O)Nc1nc2c(NO)cccc2s1
QED,Please optimize the molecule CCc1nc(CC(C)C)nc2c1c(Br)cn2C to have a lower QED value.,CCc1nc(CC(C)C)nc2c1ccn2C
AtomNum,"There is a molecule with 29 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",Cc1ccc(CN2C(=O)C(O)(CC(=O)c3ccc4ccccc4c3)c3ccccc32)c(C)c1
BondNum,"Please generate a molecule composed of 15 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC[NH+](CCCO)Cc1cc(Cl)c2c(c1)OCCCO2
FunctionalGroup,Please generate a molecule with and 1 amine group.,CCc1cc(N2CCC(C)C2)ncc1N
AddComponent,Add a benzene ring to the molecule C[NH2+]C(CSC1CCCC1)Cc1ccccn1.,C[NH2+]C(CSC1CCCC1)Cc1cccc(-c2ccccc2)n1
SubComponent,Please substitute a halo in the molecule CC(C)(C)CC1NC(C(=O)NCCC(O)CO)C(c2ccc(Cl)c(Cl)c2)C1(C#N)c1ccc(Cl)cc1F with a hydroxyl.,CC(C)(C)CC1NC(C(=O)NCCC(O)CO)C(c2ccc(O)c(Cl)c2)C1(C#N)c1ccc(Cl)cc1F
DelComponent,Modify the molecule benzene ring by removing a Cc1cc(C(=O)Nc2ccc(F)cc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1.,Cc1cc(C(=O)Nc2ccc(F)cc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)NC(=O)Nc2ccc(F)cc2)CC1
LogP,Please modify the molecule C[NH+]=C(NCCCC[NH+]1CCC(C)CC1)NCc1ccc(C)c(F)c1 to decrease its LogP value.,C[NH+]=C(NCCCC[NH+]1CCC(C)CC1)NCc1cc(O)c(C)c(F)c1
MR,Modify the molecule O=C(NCCn1nc2c(cc1=O)CCCC2)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O to have a higher MR value.,N#Cc1ccc(-n2c(=O)[nH]cc(C(=O)NCCn3nc4c(cc3=O)CCCC4)c2=O)cc1
QED,Optimize the molecule Cc1ccc(C)c(C([NH2+]CCCC[NH3+])c2ccccc2)c1 to have a lower QED value.,CCC([NH2+]CCCC[NH3+])c1ccccc1
AtomNum,"The molecule has 19 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COc1cccc(C[NH2+]C(CCC(=O)[O-])Cc2ccccc2)c1
BondNum,"The molecule consists of 14 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCSc1ccc(CCCCN2CC[NH2+]CC2)cc1
FunctionalGroup,There is a molecule with and 1 sulfide group.,Cc1noc(C2C(C)OCC[NH+]2Cc2nc(C3CC3)cs2)n1
AddComponent,Modify the molecule COc1cc(N(C)C)ccc1CN1CC[NH+](C2(c3cc(C)cc(C)c3)C(=O)c3ccccc3C2=O)CC1 by adding a carboxyl.,COc1cc(N(C)C)ccc1CN1CC[NH+](C2(c3cc(C)cc(C)c3)C(=O)c3ccccc3C2=O)CC1C(=O)O
SubComponent,Modify the molecule halo by substituting a OC(CCC1CCCO1)Cc1cc(Br)ccc1F with a hydroxyl.,Oc1ccc(F)c(CC(O)CCC2CCCO2)c1
DelComponent,Remove a benzene ring from the molecule C[NH+](C)CCOc1cccc(C2[NH2+]C(C(=O)[O-])CS2)c1.,C[NH+](C)CCOC1[NH2+]C(C(=O)[O-])CS1
LogP,Please modify the molecule O=C(Cc1ccccn1)C1Cc2ccccc2N1 to decrease its LogP value.,Nc1cccc(CC(=O)C2Cc3ccccc3N2)n1
MR,Please modify the molecule COC(=O)NC(C(=O)N1CCCC1c1[nH]c(-c2ccc3c(c2)COc2cc4c(ccc5[nH]c(C6CCCN6C(=O)C(NC(=O)C6CC6)c6ccc(C7CCCC7)cc6)nc54)cc2-3)c[nH+]1)C(C)C to decrease its MR value.,COC(=O)NC(C(=O)N1CCCC1c1[nH]c(-c2ccc3c(c2)COc2cc4c(ccc5[nH]c(C6CCCN6C(=O)C(NC(=O)C6CC6)C6CCCC6)nc54)cc2-3)c[nH+]1)C(C)C
QED,Optimize the molecule CC[NH2+]CCc1ncc(-c2cccc(Br)c2C)o1 to have a lower QED value.,Cc1c(Br)cccc1-c1cnc(CC[NH2+]CCO)o1
AtomNum,"Please generate a molecule with 14 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CC[NH+]1CCOC(CNC(=O)NC2C=CC(C(=O)[O-])C2)C1
BondNum,"The molecule has 8 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC(c1ccc(Cl)cc1)C1([NH3+])CC1
FunctionalGroup,The molecule consists of and 2 amide groups.,COc1ncccc1C(=O)N1CCC2(C1)NC(=O)NC2=O
AddComponent,Add a benzene ring to the molecule CCC[NH+]1CCC(C(C)[NH2+]Cc2ncn[nH]2)CC1.,CCC[NH+]1CCC(C(C)([NH2+]Cc2ncn[nH]2)c2ccccc2)CC1
SubComponent,Please substitute a CC[NH+]1CCC(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 in the molecule halo with a thiol.,CC[NH+]1CCC(Cc2cn3cc(S)ccc3[nH+]2)CC1
DelComponent,Modify the molecule halo by removing a COc1ccc(Br)cc1C(c1ccc(Cl)s1)[NH+]1CCCC(C(=O)[O-])C1.,COc1ccccc1C(c1ccc(Cl)s1)[NH+]1CCCC(C(=O)[O-])C1
LogP,Please optimize the molecule Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)c(C)c1 to have a lower LogP value.,Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3nc(-c4ccc(F)cc4O)no3)CC2)c(C)c1
MR,Please optimize the molecule O=C(CC1CCCCC1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 to have a lower MR value.,O=C(CC1CCCCC1)N1CCN(c2ncnc3c2nnn3F)CC1
QED,Modify the molecule CNc1cc(C(F)(F)F)[nH+]c2cc(Cl)c(C)cc12 to have a higher QED value.,CNc1cc(C(F)(F)F)[nH+]c2cc(Cl)c(CO)cc12
AtomNum,"The molecule consists of 13 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",C#CCC1CC(n2cccc2C(C)=O)C(=O)O1
BondNum,"Please generate a molecule composed of 6 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",NC(=O)c1cc(-c2ccncc2)cn(CCO)c1=[NH2+]
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, 3 halo groups, and 1 sulfide group.",O=C(Nc1cccc(-c2csc(-c3cccnc3)n2)c1)c1cccc(C(F)(F)F)c1
AddComponent,Modify the molecule COC(=O)[N-]S(=O)(=O)NC(CCC(=O)[O-])C(=O)[O-] by adding a aldehyde.,COC(=O)[N-]S(=O)(=O)NC(CC=O)(CCC(=O)[O-])C(=O)[O-]
SubComponent,Modify the molecule COc1ccc(C=CCC(O)(Cc2ccccc2)Cc2ccccc2)cc1 by substituting a hydroxyl with a carboxyl.,COc1ccc(C=CCC(Cc2ccccc2)(Cc2ccccc2)C(=O)[OH])cc1
DelComponent,Please remove a halo from the molecule CCC[NH+]1CCOC(C(Cc2sccc2Br)[NH2+]CC)C1.,CCC[NH+]1CCOC(C(Cc2cccs2)[NH2+]CC)C1
LogP,Optimize the molecule C1=C(c2ccc3ccccc3c2)C=C(c2c3c(c(C4=Cc5ccccc5CC4)c4ccc(N(c5ccccc5)c5ccccc5)cc24)=CC(N(c2ccccc2)c2ccc4ccccc4c2)CC=3)CC1 to have a lower LogP value.,C1=C(c2ccc3ccccc3c2)C=C(c2c3c(c(C4=Cc5ccccc5CC4)c4ccc(Nc5ccccc5)cc24)=CC(N(c2ccccc2)c2ccc4ccccc4c2)CC=3)CC1
MR,Modify the molecule CCCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)CC1CCCO1 to have a lower MR value.,CCCCCCC(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C1CCCO1
QED,Modify the molecule Cc1ccc(SC2=C(Nc3ccccc3Cl)C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 to have a higher QED value.,Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1
AtomNum,"There is a molecule with 14 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC1OCCC1C(=O)NCCCOC1CC[NH2+]CC1
BondNum,"The molecule has 7 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",Cc1cc(C)c(C(O)c2ccc(Br)cc2F)s1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amide group.",Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cnccn1
AddComponent,Add a benzene ring to the molecule CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1F.,CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)cc([N+](=O)[O-])c2)ccc1F
SubComponent,Substitute a NC(=O)C1CCCN(C(=O)CNc2ccc(Cl)cc2)C1 in the molecule halo with a hydroxyl.,NC(=O)C1CCCN(C(=O)CNc2ccc(O)cc2)C1
DelComponent,Please remove a CCNC(=[NH+]CCCc1ccc(Br)cc1F)N1CCC([NH+]2CC=CC2)C1 from the molecule halo.,CCNC(=[NH+]CCCc1ccccc1F)N1CCC([NH+]2CC=CC2)C1
LogP,Modify the molecule Oc1cnccc1-c1nn2c(C3CCCC3)nnc2s1 to have a higher LogP value.,ONc1cnccc1-c1nn2c(C3CCCC3)nnc2s1
MR,Optimize the molecule Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)C(C)C)CC1 to have a lower MR value.,Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)C(C)C)CC1
QED,Modify the molecule CCc1[nH]nc(C(=O)N(C)CC2CC3CCC2C3)c1N to have a higher QED value.,CCc1cc(C(=O)N(C)CC2CC3CCC2C3)n[nH]1
AtomNum,"The molecule consists of 9 carbon atoms, 1 oxygen atom, 2 fluorine atoms, and 1 chlorine atom.",Cc1cc(F)c(F)cc1C(=O)CCl
BondNum,"The molecule has 40 single bonds, 5 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C(=O)NC2CCCCC2)cc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2ccc(NC(=O)C3CCCCC3)c(C)c2)CC1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, 2 amide groups, 1 halo group, and 1 nitrile group.",N#CCCN(C(=O)COC(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O)c1ccccc1F
AddComponent,Please add a amine to the molecule CCCN(CC1CC1)C(=O)CC[NH2+]C1CC1.,CCCN(CC1CC1)C(=O)CC[NH2+]C1CC1N
SubComponent,Modify the molecule O=C(Cc1ccccc1O)NCCSc1ccccc1F by substituting a hydroxyl with a halo.,O=C(Cc1ccccc1I)NCCSc1ccccc1F
DelComponent,Modify the molecule amide by removing a CN(C)S(=O)(=O)CCNC(=O)NC(CC(N)=O)C(=O)[O-].,CN(C)S(=O)(=O)CCNC(=O)NCC(=O)[O-]
LogP,Optimize the molecule O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 to have a lower LogP value.,O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(O)c([N+](=O)[O-])c1
MR,Modify the molecule O=C([O-])Cc1cc(Cl)c(O)c2sccc12 to decrease its MR value.,O=C([O-])Cc1ccc(O)c2sccc12
QED,Modify the molecule [NH3+]C(CO)C(O)C(O)C(O)C(O)P(=O)([O-])[O-] to increase its QED value.,[NH3+]C(CO)C(O)C(O)(c1ccccc1)C(O)C(O)P(=O)([O-])[O-]
AtomNum,"Please generate a molecule with 19 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Cc1nc(C[NH+]2CCc3[nH]c(C4CC4)nc(=O)c3C2)c2ccccn12
BondNum,"The molecule contains 16 single bonds, 1 double bond, 10 rotatable bonds, and 6 aromatic bonds.",CCNC(NCCOC)=[NH+]CCCc1ccc(OC)c(OC)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 2 halo groups, and 2 sulfide groups.",Cc1noc(-c2ccc(C(=O)Nc3nc(-c4cc(Cl)sc4Cl)cs3)cc2)n1
AddComponent,Add a benzene ring to the molecule CCOc1ccc(NC(=O)CC2C(=O)N(c3cccc(Cl)c3)C(=S)N2Cc2ccc(OC)c(OC)c2)cc1.,COc1ccc(CN2C(=S)N(c3cccc(Cl)c3)C(=O)C2CC(=O)Nc2ccc(OC(C)c3ccccc3)cc2)cc1OC
SubComponent,Substitute a CC(C)(CNC(=O)c1cc(Br)c(Br)s1)C(N)=[NH+]O in the molecule hydroxyl with a nitrile.,CC(C)(CNC(=O)c1cc(Br)c(Br)s1)C(N)=[NH+]C#N
DelComponent,Modify the molecule CCOC(=O)N1CCN(C(=S)NC(=O)C2CC[NH2+]CC2)CC1 by removing a amide.,CCOC(=O)N1CCN(C(=S)C2CC[NH2+]C2)CC1
LogP,Optimize the molecule CC(C)(C)CC(=O)NCC(=O)NCC(O)c1cc2ccccc2s1 to have a higher LogP value.,CC(C)(C)CC(=O)NCC(=O)NCCc1cc2ccccc2s1
MR,Please modify the molecule O=C(c1ccccc1O)c1ccc(OCCBr)cc1O to increase its MR value.,O=C(c1ccccc1O)c1ccc(OCC(Br)C(=O)O)cc1O
QED,Modify the molecule Cc1c(Br)c(C=NNC(=O)CC(C)C)c(C)n1-c1ccccc1 to increase its QED value.,Cc1c(C=NNC(=O)CC(C)C)c(C(=O)[OH])c(C)n1-c1ccccc1
AtomNum,"The molecule has 27 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 2 fluorine atoms.",N#CC1(CC(=O)C(CC(F)(F)Cc2ccccc2)NC(=O)N2CC3(CC[NH+](C4CC4)CC3)C2)CC1
BondNum,"Please generate a molecule consisting 44 single bonds, 10 double bonds, 6 rotatable bonds, and 42 aromatic bonds.",O=C1c2cccc(n2)C(=O)N2CC(c3ccccc3)N(CC2c2ccccc2)C(=O)c2cccc(n2)C(=O)N2CC(C3C=CC=CC3)N(CC2C2C=CC=CC2)C(=O)c2cccc(n2)C(=O)N2CC(c3ccccc3)N1CC2c1ccccc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amine group.",CC(C)(C)OC(=O)N1CC2=CN(c3ccc(-c4ccc(N)cc4)nn3)CC2C1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(NC(=O)c2cc(Br)sc2Br)cc1Br.,O=C(Nc1ccc(OCO)c(Br)c1)c1cc(Br)sc1Br
SubComponent,Substitute a halo in the molecule C[NH+](CC(=O)[O-])C1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 with a nitro.,C[NH+](CC(=O)[O-])C1CCCN(C(=O)c2cccc(NO)c2[N+](=O)[O-])CC1
DelComponent,Remove a hydroxyl from the molecule O=CCC(O)C1CC2CCC1C2.,O=CCCC1CC2CCC1C2
LogP,Optimize the molecule [NH3+]C1CCC2CN(C(=O)NCC3CCN(c4ccccc4)C3)CC12 to have a higher LogP value.,[NH3+]C1CCC2(c3ccccc3)CN(C(=O)NCC3CCN(c4ccccc4)C3)CC12
MR,Optimize the molecule O=C(CSc1nnc(C2COc3ccccc3O2)n1-c1ccccc1)Nc1ccccc1C(F)(F)F to have a lower MR value.,O=C(CSc1nnc(C2COc3ccccc3O2)n1-c1ccccc1)NC(F)(F)F
QED,Please modify the molecule Cc1csc(C2CN(C(=O)NC3CC4CCC(C3)[NH+]4C)CCO2)n1 to decrease its QED value.,Cc1csc(C2CN(C(=O)NC3CC4CCC(O)(C3)[NH+]4C)CCO2)n1
AtomNum,"There is a molecule with 13 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",O=C([O-])c1ccc(C(=O)NCCCOC2CCOC2)s1
BondNum,"Please generate a molecule composed of 16 single bonds, 3 double bonds, 5 rotatable bonds, and 23 aromatic bonds.",CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC(C(=O)Nc1nnc(-c3ccc(Cl)cc3)s1)O2
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amine group, 4 halo groups, and 1 sulfone group.",Cc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)cc1Cl
AddComponent,Add a benzene ring to the molecule Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCCC(=O)NC1CCCC1.,Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCC(C(=O)NC1CCCC1)c1ccccc1
SubComponent,Substitute a halo in the molecule COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 with a nitro.,COc1ccc(NO)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1
DelComponent,Remove a amine from the molecule CC(C)C1CCCCC1Nc1cc(Cl)cc(Cl)c1.,CC(C)C1CCCCC1c1cc(Cl)cc(Cl)c1
LogP,Optimize the molecule Cc1ccc(-c2nnc(CCC(=O)OC(C)C(=O)N3CCc4ccccc43)o2)cc1 to have a lower LogP value.,Cc1ccc(-c2nnc(CCC(=O)OC(C)C(=O)N3CCc4cccc(C(=O)O)c43)o2)cc1
MR,Please modify the molecule CC(C)c1cc(C(=O)NCC2(C)CC2)cc(N)n1 to increase its MR value.,CC(CC(=O)O)c1cc(C(=O)NCC2(C)CC2)cc(N)n1
QED,Modify the molecule COCN1CCC2N(COC)C(C)CC3N(COC)CCC1[NH+]32 to have a lower QED value.,COCN1CCC2(O)N(COC)CCC3N(COC)C(C)CC1[NH+]32
AtomNum,"There is a molecule consisting of 10 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",C=C1CCN(C(=O)C=CC(=O)[O-])CC1
BondNum,"There is a molecule with 11 single bonds, 9 rotatable bonds, and 5 aromatic bonds.",COCCOCCC[NH2+]Cc1ncnn1C
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 4 halo groups.",O=C(c1ccc(C(F)(F)F)cn1)N1CCOC(CBr)C1
AddComponent,Add a hydroxyl to the molecule O=C([O-])c1ccc(N=Cc2ccc([O-])c([N+](=O)[O-])c2)cc1Cl.,O=C([O-])c1cc(O)c(N=Cc2ccc([O-])c([N+](=O)[O-])c2)cc1Cl
SubComponent,Modify the molecule halo by substituting a CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)c(I)c2)cc1C(C)C with a nitro.,CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCc3cccc(C(=O)[O-])c3)c(NO)c2)cc1C(C)C
DelComponent,Please remove a CCC([NH2+]C)C(=O)NC(C(=O)N1CC2Cc3ccccc3N2CC1C(=O)NC1CCOc2ccccc21)C1CCCCC1 from the molecule amide.,CCC([NH2+]C)C(=O)N1C(C(=O)NC2CCOc3ccccc32)CN2c3ccccc3CC2C1C1CCCCC1
LogP,Optimize the molecule CC(Nc1ccc(C(F)(F)F)cn1)c1ncc[nH]1 to have a lower LogP value.,CC(Nc1ccc(C(F)F)cn1)c1ncc[nH]1
MR,Please optimize the molecule CC(C)Oc1ccc(C2(O)CCCc3occc32)c2ccccc12 to have a higher MR value.,CC(C)Oc1ccc(C2(C(=O)[OH])CCCc3occc32)c2ccccc12
QED,Please optimize the molecule CC(C)(Oc1ccc(Cl)cc1)C(O)(COc1cccc(Cl)n1)Cn1cncn1 to have a lower QED value.,CC(C)(Oc1ccc(Cl)cc1O)C(O)(COc1cccc(Cl)n1)Cn1cncn1
AtomNum,"Please generate a molecule with 22 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 3 chlorine atoms.",O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1ccc(COc2cccc(Cl)c2Cl)o1
BondNum,"Please generate a molecule consisting 6 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",CCC(N)c1[nH]c(-c2ccc(F)cc2)c[nH+]1
FunctionalGroup,"The molecule has 1 hydroxyl group, 1 thioether group, and 1 sulfide group.",CCOP(O)(=S)N1CCSC1=O
AddComponent,Modify the molecule C=CC(F)c1noc(N2CCC(N(C)C(=O)c3cnc(N4CC([NH3+])C(c5cc(F)ccc5F)C4)nc3)CC2)n1 by adding a thiol.,C=CC(F)c1noc(N2CCC(N(C)C(=O)c3cnc(N4CC([NH3+])C(c5c(F)ccc(F)c5S)C4)nc3)CC2)n1
SubComponent,Modify the molecule Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)NCC(=O)Nc4ccc(C(=O)Nc5cccc(F)c5)cc4)CC3)c2C)c(F)c1 by substituting a halo with a nitro.,Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)NCC(=O)Nc4ccc(C(=O)Nc5cccc(NO)c5)cc4)CC3)c2C)c(F)c1
DelComponent,Remove a amine from the molecule O=C([O-])CCn1cc(Cc2cccnc2)c2c(CCNS(=O)(=O)c3ccc(F)cc3)cccc21.,O=C([O-])CCn1cc(Cc2cccnc2)c2c(CCS(=O)(=O)c3ccc(F)cc3)cccc21
LogP,Modify the molecule O=Cc1cc(Cl)cc2cc(Br)sc12 to have a lower LogP value.,O=Cc1cc(C(=O)[OH])cc2cc(Br)sc12
MR,Modify the molecule O=C1COc2c(cccc2S(=O)(=O)n2cc(N3CC[NH2+]CC3)c3ncccc32)N1 to increase its MR value.,O=C1COc2c(cccc2S(=O)(=O)n2cc(N3CC[NH2+]CC3)c3ncc(O)cc32)N1
QED,Modify the molecule Cc1cccc(Cn2ccnc2CN(CC2CCCO2)C(=O)c2cccs2)c1 to have a higher QED value.,CCn1ccnc1CN(CC1CCCO1)C(=O)c1cccs1
AtomNum,"The molecule contains 17 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, and 3 fluorine atoms.",CC(C)OC(=O)Nc1nnc2c(NCc3cccc(C(F)(F)F)c3)nccn12
BondNum,"The molecule consists of 20 single bonds, 3 double bonds, and 4 rotatable bonds.",CC(C)(CC1CCCCCC1)NC(=O)C1CCCCS1(=O)=O
FunctionalGroup,"The molecule consists of 1 amine group, 1 halo group, and 1 sulfone group.",CC(C)(C)C(CCCl)NS(=O)(=O)C1CCCCC1
AddComponent,Please add a carboxyl to the molecule O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[NH+](CCc2ccncc2)CC1.,O=C(O)c1cnccc1CC[NH+]1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1
SubComponent,Substitute a Cn1cc(C(NC(=O)c2c[nH]c(=O)[nH]2)C2CC(O)C2)cn1 in the molecule hydroxyl with a nitro.,Cn1cc(C(NC(=O)c2c[nH]c(=O)[nH]2)C2CC(NO)C2)cn1
DelComponent,Modify the molecule Cc1ccc2c(CNc3cccc4ccccc34)cc(=O)oc2c1C by removing a amine.,Cc1ccc2c(Cc3cccc4ccccc34)cc(=O)oc2c1C
LogP,Modify the molecule Cc1ncc(CO)c(C=NCCC23CC4CC(CC(C4)C2)C3)c1O to have a higher LogP value.,Cc1cnc(C)c(O)c1C=NCCC12CC3CC(CC(C3)C1)C2
MR,Please optimize the molecule CCCc1cc(C(=O)N2CCC(C)CC2C[NH3+])sc1C to have a higher MR value.,CCC(O)c1cc(C(=O)N2CCC(C)CC2C[NH3+])sc1C
QED,Optimize the molecule O=C1CN(C(=O)c2cccc(F)c2F)CCN1 to have a lower QED value.,O=C1CN(C(=O)c2cccc(F)c2F)C(O)CN1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 3 oxygen atoms, and 6 nitrogen atoms.",CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cn4cccnc4[nH+]3)c2)n1
BondNum,"Please generate a molecule composed of 14 single bonds, 3 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, and 1 halo group.",C[NH+](C)C(CNC(=O)CC([NH3+])c1ccccc1)c1ccc(F)cc1
AddComponent,Add a hydroxyl to the molecule CC(C)[Si](OCCCC1CCC2OC2C1)C(C)C.,CC(C)[Si](OCCCC1CCC2OC2C1)C(C)(C)O
SubComponent,Please substitute a halo in the molecule CCC(C)C[NH+](C)Cc1cc(F)ccc1C(=O)[O-] with a hydroxyl.,CCC(C)C[NH+](C)Cc1cc(O)ccc1C(=O)[O-]
DelComponent,Modify the molecule amide by removing a O=C(NNC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1.,O=C(NNC(=S)C1C2CC3CC(C2)C1C3)c1ccncc1
LogP,Please modify the molecule Ic1cnc(OCCC2CC2)nc1 to decrease its LogP value.,Oc1cnc(OCCC2CC2)nc1
MR,Please optimize the molecule COC(C)c1ccccc1-c1cc(C(=O)[O-])nn1C to have a lower MR value.,COC(C)c1cc(C(=O)[O-])nn1C
QED,Optimize the molecule Oc1cc(C2[NH2+]CCc3c(F)cccc32)cc(O)c1O to have a lower QED value.,Oc1cc(C2[NH2+]CCc3ccccc32)cc(O)c1O
AtomNum,"The molecule contains 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cccc(SC(C)C(=O)NC(C)(C)C)c1N
BondNum,"There is a molecule consisting of 11 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C([O-])C1CCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 amide group.",COc1ccccc1OCCC(=O)NC(C[NH+]1CCCC1)c1ccccc1
AddComponent,Add a hydroxyl to the molecule COc1cc(CNc2cccc(C(=O)[O-])c2C)cc(Br)c1OCC(N)=O.,COc1cc(CNc2cccc(C(=O)[O-])c2C)c(O)c(Br)c1OCC(N)=O
SubComponent,Please substitute a [NH3+]C1C(CO)NC(=O)C(O)C1O in the molecule hydroxyl with a nitro.,[NH3+]C1C(CNO)NC(=O)C(O)C1O
DelComponent,Please remove a benzene ring from the molecule Fc1ccc(C([NH2+]CCc2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)c(Cl)c1.,Fc1ccc(C([NH2+]CCc2ccc(Cl)cc2)c2nnco2)c(Cl)c1
LogP,Modify the molecule C[NH+](C)Cc1cccc(NCc2cccc(Cl)c2O)c1 to decrease its LogP value.,C[NH+](C)Cc1cccc(NC(O)c2cccc(Cl)c2O)c1
MR,Please optimize the molecule CN1C(=O)C(NC(=O)Nc2cccc(CNC(=O)CC(O)CC(=O)NCCOc3cccc(C[NH+]4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 to have a higher MR value.,CN1C(=O)C(NC(=O)Nc2cc(CNC(=O)CC(O)CC(=O)NCCOc3cccc(C[NH+]4CCCCC4)c3)ccc2O)N=C(c2ccccc2)c2ccccc21
QED,Modify the molecule Cc1ncc(CNC(=O)C(C)NS(=O)(=O)c2ccccc2C(F)(F)F)s1 to have a higher QED value.,Cc1ncc(CN(C)S(=O)(=O)c2ccccc2C(F)(F)F)s1
AtomNum,"Please generate a molecule consisting 8 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 5 fluorine atoms.",O=C([O-])c1nc([N+](=O)[O-])c(OC(F)(F)F)cc1C(F)F
BondNum,"Please generate a molecule consisting 16 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)(C(=O)[O-])c1cccc2c1CCN2CC1CCCC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 2 amide groups.",CCOC(=O)N1CCN(C(=O)C(C)NC(=O)c2ccccc2C)CC1
AddComponent,Add a hydroxyl to the molecule CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4cccc(C)c4)C(C)C3)ccc21.,CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4cccc(C)c4)C(C)(O)C3)ccc21
SubComponent,Substitute a hydroxyl in the molecule Cc1ccc(C(C)OO)cn1 with a carboxyl.,Cc1ccc(C(C)OC(=O)[OH])cn1
DelComponent,Remove a CC1CCN(c2ccc(-c3cccc(CN(CCC[NH3+])C(=O)C4CC4)c3)cc2NC(=O)N2CCOCC2)CC1 from the molecule benzene ring.,CC1CCN(c2ccc(CN(CCC[NH3+])C(=O)C3CC3)cc2NC(=O)N2CCOCC2)CC1
LogP,Please optimize the molecule CC(Cn1cccn1)NC(=O)CC1CCC[NH2+]C1 to have a higher LogP value.,CC(Cn1cccn1)C1CCC[NH2+]C1
MR,Optimize the molecule CCOC(=O)c1cccnc1Oc1ccc(CC(C)(C)[NH3+])cc1 to have a lower MR value.,CCOC(=O)c1cccnc1OCC(C)(C)[NH3+]
QED,Modify the molecule COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C(C)(C)C)cc3)n2-c2cccc(Cl)c2)cc1 to have a lower QED value.,CC(=O)c1cccc(-n2c(CNC(=O)c3ccc(C(C)(C)C)cc3)nnc2SCC(=O)Nc2ccc(OC)cc2)c1
AtomNum,"There is a molecule composed of 18 carbon atoms, and 4 nitrogen atoms.",CC1CC(c2ncc3[nH]ccc3n2)CC(c2ccccc2)[NH2+]1
BondNum,"Please generate a molecule with 18 single bonds, 1 double bond, and 9 rotatable bonds.",C=CC(CCCC)[NH2+]C(CC1CCCCC1)C(N)N
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amine group, 3 halo groups, and 1 nitrile group.",COc1ccc(N2CCN(c3nc(Nc4ccc(C#N)c(C(F)(F)F)c4)nc(Oc4cccc5cccnc45)n3)CC2)cc1
AddComponent,Add a benzene ring to the molecule COc1cc(OCCCc2ccccc2)c2c3c1OC1(C)C(=O)CCC4C(C2)[NH+](CC2CC2)CCC341.,CC12Oc3c(OCc4ccccc4)cc(OCCCc4ccccc4)c4c3C13CC[NH+](CC1CC1)C(C4)C3CCC2=O
SubComponent,Modify the molecule halo by substituting a COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 with a carboxyl.,COc1ccc(C(=O)[OH])cc1S(=O)(=O)NCc1ccc(N(C)C)cc1
DelComponent,Please remove a CCCCC(=NN=C(C)Cc1ccccc1)C(=O)NC1CCc2ccccc2N(C)C1=O from the molecule amide.,CCCCC1(NN=C(C)Cc2ccccc2)CCc2ccccc2N(C)C1=O
LogP,Please optimize the molecule CNC(=O)c1cccc2sc(-c3nc(NCCCC4CC[NH+](C)CC4)ncc3Br)cc12 to have a lower LogP value.,CNC(=O)c1cccc2sc(-c3nc(NCCCC4CC[NH+](C)CC4)ncc3S)cc12
MR,Modify the molecule Cc1cc(C)c(NC(=O)CCCS(=O)(=O)CC(=O)Nc2ccccc2F)c(C)c1 to increase its MR value.,Cc1cc(C)c(NC(=O)CCCS(=O)(=O)CC(=O)Nc2ccccc2S)c(C)c1
QED,Please modify the molecule CN(Cc1csc2ccccc12)C(=O)C1CCC[NH2+]C1 to decrease its QED value.,CC(c1csc2ccccc12)C1CCC[NH2+]1
AtomNum,"Please generate a molecule with 15 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1cc(C)c([S+](=O)([O-])Cc2ccncn2)c(C)c1C
BondNum,"The molecule is composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Cc1noc(COc2c(Cl)cccc2C(=O)[O-])n1
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,COCCOCc1nnc2n1CC[NH2+]C2c1ccccc1
AddComponent,Modify the molecule COc1cc2[nH]ccc2cc1C(=O)N1CCC(O)(Cc2ccccc2)CC1 by adding a benzene ring.,COc1cc2[nH]ccc2cc1C(=O)N1CCC(O)(Cc2ccccc2)C(c2ccccc2)C1
SubComponent,Substitute a O=C(NOC1CCCCO1)c1cccc(NC(=O)c2ccc(Br)o2)c1 in the molecule halo with a nitro.,ONc1ccc(C(=O)Nc2cccc(C(=O)NOC3CCCCO3)c2)o1
DelComponent,Remove a halo from the molecule C[NH+](C)CCn1ccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)n1.,C[NH+](C)CCn1ccc(NC(=O)Cn2cnc3ccccc3c2=O)n1
LogP,Optimize the molecule CC1=C(C(N)=O)C(c2cccc([N+](=O)[O-])c2)n2ccnc2N1 to have a lower LogP value.,CC1=C(C(N)=O)C(c2cccc([SH]=O)c2)n2ccnc2N1
MR,Optimize the molecule O=[N+]([O-])c1ccc(OCCBr)cc1I to have a higher MR value.,O=[N+]([O-])c1ccc(OCCBr)c(-c2ccccc2)c1I
QED,Modify the molecule Cc1ccc(F)cc1NC(=O)CCCC(=O)N(C)C to have a lower QED value.,CC(=O)c1ccc(C)c(NC(=O)CCCC(=O)N(C)C)c1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CC(c1cccs1)[NH+](C)Cc1cn2cc(Cl)cc(Cl)c2n1
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",CC(=CC(=O)NCC(O)COCC(C)C)c1ccccc1F
FunctionalGroup,There is a molecule consisting of and 1 halo group.,BrCC1CN(c2ccn3nccc3n2)CCO1
AddComponent,Add a hydroxyl to the molecule CCc1cc2c(N3CC[NH+](Cc4cc(OC)ccc4OC)CC3)ncnc2s1.,COc1ccc(OC)c(C[NH+]2CCN(c3ncnc4sc(C(C)O)cc34)CC2)c1
SubComponent,Please substitute a halo in the molecule CN(Cc1ccccc1)C(=O)COc1c(Cl)cc(Cl)cc1Br with a hydroxyl.,CN(Cc1ccccc1)C(=O)COc1c(O)cc(Cl)cc1Br
DelComponent,Modify the molecule halo by removing a CC(NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1.,CC(NC(=O)c1ccccc1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1
LogP,Please modify the molecule COCC1CCN(C(=O)NC(=O)CCCl)C1 to decrease its LogP value.,COCC1CCN(C(=O)NC(=O)CCS)C1
MR,Optimize the molecule O=C(c1ccccc1)c1[nH]c2cc(Cl)ccc2c1N(F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F to have a higher MR value.,O=C(c1cccc(-c2ccccc2)c1)c1[nH]c2cc(Cl)ccc2c1N(F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
QED,Modify the molecule Fc1ccc2[nH]cc(CCCCN3CC[NH+](Cc4ccccc4)CC3)c2c1 to have a higher QED value.,c1ccc(C[NH+]2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Nc1cccc2oc(NC(CO)Cc3ccccc3)nc12
BondNum,"The molecule contains 15 single bonds, 1 double bond, 5 rotatable bonds, and 22 aromatic bonds.",Cc1[nH]nc2nc(-c3ccc(O)cc3F)cc(C(=O)C[NH+]3CCC([NH3+])(c4ccccc4)CC3)c12
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",C[NH2+]CC1CN(C(=O)OC(C)(C)C)CC1CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C
AddComponent,Modify the molecule O=C(NC1CCCCCC1C(=O)[O-])c1ccnn1C1CCCC1 by adding a hydroxyl.,O=C(NC1CC(O)CCCC1C(=O)[O-])c1ccnn1C1CCCC1
SubComponent,Modify the molecule hydroxyl by substituting a CN1C(=O)C(O)c2ccc(Sc3ccccc3)cc21 with a nitro.,CN1C(=O)C(NO)c2ccc(Sc3ccccc3)cc21
DelComponent,Please remove a hydroxyl from the molecule CC(=O)OC1C(Oc2cc(O)cc(O)c2C(=O)c2cc(O)cc(O)c2)OC(CO)C(OC(=O)c2ccccc2)C1O.,CC(=O)OC1C(Oc2cc(O)ccc2C(=O)c2cc(O)cc(O)c2)OC(CO)C(OC(=O)c2ccccc2)C1O
LogP,Please modify the molecule CCOC(=O)c1cc(=O)c2cc(OCC(O)COc3ccc(C#N)cc3)ccc2o1 to increase its LogP value.,CCOC(=O)c1cc(=O)c2cc(OCC(S)COc3ccc(C#N)cc3)ccc2o1
MR,Please optimize the molecule CCCCC(O)C(=O)N1CCOCC1 to have a higher MR value.,CCCCC(S)C(=O)N1CCOCC1
QED,Modify the molecule Fc1ccc(C2CC[NH2+]CC2c2ccccc2)c(Cl)c1 to have a lower QED value.,Sc1ccc(C2CC[NH2+]CC2c2ccccc2)c(Cl)c1
AtomNum,"There is a molecule with 21 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",O=C(Nc1ccc(-n2ncc3ccccc32)cc1)NC1CC2OCCCC12
BondNum,"The molecule consists of 10 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",CCc1cccc(NC(=O)CSc2nccn2-c2cccc(OC)c2)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfone group.",CNC(=O)c1cc(Oc2ccc3nc([N-]S(=O)(=O)c4cc(CI)ccc4OC)nnc3c2)ccn1
AddComponent,Please add a amine to the molecule O=C([O-])C(=O)CCc1ccccc1F.,Nc1cccc(CCC(=O)C(=O)[O-])c1F
SubComponent,Please substitute a halo in the molecule COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3Br)c2)cc1 with a thiol.,COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3S)c2)cc1
DelComponent,Please remove a benzene ring from the molecule Cn1c(=NNC(=O)Cc2csc(-c3ccccc3)n2)sc2ccccc21.,Cn1c(=NNC(=O)Cc2cscn2)sc2ccccc21
LogP,Please modify the molecule C=CCN(CCO)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl to increase its LogP value.,CC(=O)CCN(CC=C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
MR,Modify the molecule Cc1ccc(S(=O)(=O)NCc2nc(C)cc(N3CCCCC3)n2)c(C)c1 to have a lower MR value.,Cc1ccc(S(=O)(=O)Cc2nc(C)cc(N3CCCCC3)n2)c(C)c1
QED,Please modify the molecule O=C([O-])C=Cc1ccc(OCCOc2ccc(Cl)cc2)c(Br)c1 to increase its QED value.,O=C([O-])C=Cc1ccc(OCCOc2ccc(Cl)cc2)cc1
AtomNum,"There is a molecule with 37 carbon atoms, 5 oxygen atoms, and 5 nitrogen atoms.",COc1ccc(NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4ccccc4)c3C)CC2)cc1NC(=O)c1ccccc1C
BondNum,"There is a molecule composed of 9 single bonds, 2 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C2=CC(=O)c3ccc(O)c(O)c3C2)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 thioether group, and 2 sulfide groups.",C=CCn1c(SC(C)c2nnc(-c3cccs3)o2)nnc1-c1ccccc1
AddComponent,Modify the molecule CN(Cc1ccccc1Br)C(=O)Nc1ccccc1Cl by adding a amine.,CN(Cc1c(N)cccc1Br)C(=O)Nc1ccccc1Cl
SubComponent,Substitute a O=S(=O)(CCCl)N(Cc1cccs1)Cc1cccs1 in the molecule halo with a nitrile.,N#CCCS(=O)(=O)N(Cc1cccs1)Cc1cccs1
DelComponent,Please remove a amide from the molecule CC(C)N(C)C(=O)Cn1cnc(C(=O)[O-])c1.,CC(C)(C)n1cnc(C(=O)[O-])c1
LogP,Please modify the molecule Cc1sc(NC(=O)c2ccccc2-c2ccccc2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C to decrease its LogP value.,Cc1sc(NC(=O)c2cc(O)ccc2-c2ccccc2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C
MR,Optimize the molecule O=C(NCc1cccc2ccccc12)c1cccc(NC(=O)c2ccccc2F)c1 to have a higher MR value.,O=C(NCc1cccc2ccccc12)c1cccc(NC(=O)c2ccccc2S)c1
QED,Optimize the molecule CC[NH2+]C(c1cc(Br)cc(Br)c1)c1ccc(C(C)(C)C)s1 to have a lower QED value.,CC[NH2+]C(Br)(Br)c1ccc(C(C)(C)C)s1
AtomNum,"There is a molecule consisting of 19 carbon atoms, and 6 oxygen atoms.",CC(=CC(C)C(C)O)CCC(=O)CC(O)Cc1cc([O-])c(C)c(=O)o1
BondNum,"There is a molecule composed of 10 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CC[NH2+]Cc1cccc(NC(=O)c2ccccc2S(=O)(=O)CC)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 halo group.",CC(C)[NH+]1CCOC(COc2cc(F)cc(CC[NH3+])c2)C1
AddComponent,Add a benzene ring to the molecule CC(Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(N2CCOCC2)cc1.,CC(Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(N2CCOCC2)cc1-c1ccccc1
SubComponent,Modify the molecule COc1ccc2ncc(NC(=O)[O-])c(Cl)c2n1 by substituting a halo with a nitro.,COc1ccc2ncc(NC(=O)[O-])c(NO)c2n1
DelComponent,Remove a benzene ring from the molecule O=C(C1CCC1)N1CCc2c([nH]c3ccccc23)C12CC[NH+](Cc1ccccc1)CC2.,C[NH+]1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)C1CCC1
LogP,Modify the molecule CCC(O)C(=O)c1cccc(NC(C)=O)c1 to decrease its LogP value.,CCC(NO)C(=O)c1cccc(NC(C)=O)c1
MR,Optimize the molecule COc1ccc(NC(=O)C(OC(=O)C(C)n2c(=O)oc3ccccc32)c2ccccc2)cc1Cl to have a higher MR value.,COc1ccc(NC(=O)C(OC(=O)C(C)n2c(=O)oc3ccccc32)c2ccccc2)cc1C(=O)[OH]
QED,Please optimize the molecule CCC(CC)C(NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)c1cccs1 to have a lower QED value.,CCC(CC)C(NC(=O)CN(C)C1=NS(=O)(=O)c2ccc(N)cc21)c1cccs1
AtomNum,"The molecule contains 14 carbon atoms, 5 nitrogen atoms, and 1 sulfur atom.",Nc1cccc(CSc2nnnn2-c2ccccc2)c1
BondNum,"There is a molecule with 17 single bonds, 2 double bonds, 7 rotatable bonds, and 5 aromatic bonds.",O=C(Cn1cc([N+](=O)[O-])cn1)NCC1CCN(CC(F)F)CC1
FunctionalGroup,There is a molecule consisting of and 1 aldehyde group.,COC(CCCC([NH3+])C=O)OC
AddComponent,Add a carboxyl to the molecule CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)NCC1CCCO1.,CN(C)C(=O)CSc1cc(C(=O)O)ccc1C(=O)OCC(=O)NCC1CCCO1
SubComponent,Modify the molecule halo by substituting a CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(Br)s1 with a hydroxyl.,CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(O)s1
DelComponent,Remove a halo from the molecule COCc1nc(-n2ccc3nc4ccn(-c5ccccc5Cl)c(=O)c4cc3c2=O)n[nH]1.,COCc1nc(-n2ccc3nc4ccn(-c5ccccc5)c(=O)c4cc3c2=O)n[nH]1
LogP,Optimize the molecule CCOC(=O)C=Cc1ccc(OC)cc1CC1CCC(=O)N(Cc2ccccc2)C1 to have a lower LogP value.,CCOC(=O)C=Cc1ccc(OC)cc1CC1CCC(=O)N(Cc2ccccc2)C1C(=O)O
MR,Please modify the molecule Cc1nc(C(C)(C)C)n2cccc(Br)c12 to decrease its MR value.,Cc1nc(C(C)(C)C)n2ccccc12
QED,Modify the molecule N#CCc1cc(F)cnc1-c1ccc(C(F)(F)F)cc1 to have a higher QED value.,N#CCc1cc(C#N)cnc1-c1ccc(C(F)(F)F)cc1
AtomNum,"The molecule is composed of 23 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",Cc1cc(N(C)C)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CCc1nnc(NC(=O)CNCC(F)(F)F)nc1CC
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 ester group, and 1 amide group.",CCNC(=O)C1=C(c2ccccc2)N=C(C)C(C(=O)OCC)C1C#Cc1ccccc1
AddComponent,Add a amine to the molecule Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1.,Cc1onc(-c2c(Cl)cc(N)cc2Cl)c1C(=O)Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1
SubComponent,Please substitute a COC12CCC(C)(CC(OC(=O)C(C)C)C3CC(=O)OC3C(OC(=O)C(C)C)C1CO)O2 in the molecule hydroxyl with a aldehyde.,CC(=O)CC1C(OC(=O)C(C)C)C2OC(=O)CC2C(OC(=O)C(C)C)CC2(C)CCC1(OC)O2
DelComponent,Remove a O=C([O-])n1cc(-c2ccccc2)ccc1=O from the molecule benzene ring.,O=C([O-])n1ccccc1=O
LogP,Optimize the molecule C=CCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)CCCC3)c2cc(Br)ccc21 to have a higher LogP value.,C=CCOC(C(=O)c1ccc2c(c1)CCCC2)c1cccc(Br)c1
MR,Please modify the molecule Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)NCCC(=O)Nc4ccc(NC(=O)c5ccccc5F)c(C)c4)CC3)c2C)cc1F to increase its MR value.,Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)NCCC(=O)Nc4ccc(NC(=O)c5ccccc5C(=O)[OH])c(C)c4)CC3)c2C)cc1F
QED,Please modify the molecule CCC[NH2+]Cc1ccc(Oc2cccc(C(C)C)c2)cc1 to increase its QED value.,CCC[NH2+]Cc1ccc(Oc2cccc(C(C)C)c2)cc1O
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCCCCC([NH2+]C)c1cc(OC)ccc1OC
BondNum,"The molecule contains 16 single bonds, 1 double bond, and 5 rotatable bonds.",CC(C)[NH2+]C(CN1C(C)CCCC1C)C(N)=O
FunctionalGroup,"There is a molecule with 3 benzene ring groups, and 1 ester group.",COC(=O)CC=CCC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OCc1ccccc1
AddComponent,Add a aldehyde to the molecule COc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccc(OC)cc3)c2)cc1.,COc1ccc(NC(=O)c2cc(CC=O)nc(C(=O)Nc3ccc(OC)cc3)c2)cc1
SubComponent,Substitute a hydroxyl in the molecule O=C([O-])C1=CC2(CCC1S(=O)(=O)Nc1ccc(Cl)cc1Cl)OC(CO)C(CO)O2 with a halo.,O=C([O-])C1=CC2(CCC1S(=O)(=O)Nc1ccc(Cl)cc1Cl)OC(CO)C(CCl)O2
DelComponent,Remove a amide from the molecule COc1ccc(C2(O)C(C)CN(C(=O)C3CN(c4ccc(=O)n(C)n4)CC3c3ccc(Cl)cn3)CC2C)cc1.,COc1ccc(C2(O)C(C)CC3(c4ccc(Cl)cn4)CN(c4ccc(=O)n(C)n4)CC3C2C)cc1
LogP,Optimize the molecule C[NH2+]CCCN(C)C(=O)C(C)(C)Br to have a lower LogP value.,C[NH2+]CCCN(C)C(=O)C(C)(C)C#N
MR,Please optimize the molecule Cc1oc(-c2ccccc2)nc1CC(=O)NCCCn1ccc2ccccc21 to have a lower MR value.,Cc1ocnc1CC(=O)NCCCn1ccc2ccccc21
QED,Optimize the molecule CCCCC(CC)COC(=O)C(C#N)=C(c1ccc(C)cc1)c1ccc(C)cc1 to have a higher QED value.,CCCCC(CC)COC(=O)C=C(c1ccc(C)cc1)c1ccc(C)cc1
AtomNum,"The molecule consists of 15 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC1CS(=O)(=O)CC1NC(=O)C1CCC(=O)C(C)C1(C)C
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CCc1oc(C(=O)NC(C)CCO)cc1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 halo groups, and 1 sulfone group.",Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncccc3F)C2)c(F)c1
AddComponent,Please add a benzene ring to the molecule COc1ccc(C)cc1NC(=O)COC(=O)CNC(=O)c1ccc(Br)cc1.,COc1ccc(Cc2ccccc2)cc1NC(=O)COC(=O)CNC(=O)c1ccc(Br)cc1
SubComponent,Substitute a halo in the molecule O=C(Cn1cnc([N+](=O)[O-])n1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 with a carboxyl.,O=C([OH])c1ccc(CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C2CC2)cc1Cl
DelComponent,Remove a CC[NH2+]Cc1cc(Cl)c(OCC[NH+](CC)CC)c(OC)c1 from the molecule halo.,CC[NH2+]Cc1ccc(OCC[NH+](CC)CC)c(OC)c1
LogP,Please modify the molecule C[NH+]1CCCC(CNc2cccc3ccccc23)C1 to increase its LogP value.,C[NH+]1CCCC(Cc2cccc3ccccc23)C1
MR,Please modify the molecule O=C([O-])C(=O)CC(=O)c1ccnn1Cc1ccccn1 to increase its MR value.,O=C([O-])C(=O)CC(=O)c1ccnn1Cc1ncccc1O
QED,Modify the molecule O=C(NC(=S)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1)c1ccc(F)cc1 to decrease its QED value.,O=C(NC(=S)Nc1cccc(C(=O)Nc2cccc(O)c2)c1)c1ccc(F)cc1
AtomNum,"The molecule contains 12 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 2 chlorine atoms, and 1 bromine atom.",CC(C)(C#N)CCOc1cc(Cl)c(Br)cc1Cl
BondNum,"The molecule is composed of 24 single bonds, 4 double bonds, 9 rotatable bonds, and 24 aromatic bonds.",Cc1ccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccccc4F)c3C)CC2)cc1NC(=O)c1ccccc1F
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,Cc1ccc(OCc2cc(C[NH2+]C3CC3)no2)c(C)c1
AddComponent,Modify the molecule COC(=O)c1cc(N(C)Cc2ccccc2N)cc[nH+]1 by adding a amine.,COC(=O)c1cc(N(C)Cc2cc(N)ccc2N)cc[nH+]1
SubComponent,Modify the molecule hydroxyl by substituting a Cn1c(-c2ccccn2)nc(-c2ccc(C(C)(C)O)nc2)c1Sc1ccc(F)cc1F with a thiol.,Cn1c(-c2ccccn2)nc(-c2ccc(C(C)(C)S)nc2)c1Sc1ccc(F)cc1F
DelComponent,Remove a amine from the molecule COC(=O)N1Cc2sccc2C(Nc2ccc(F)cc2OC2CC[NH2+]CC2)=C1C.,COC(=O)N1Cc2sccc2C(c2ccc(F)cc2OC2CC[NH2+]CC2)=C1C
LogP,Optimize the molecule NC(=S)c1ccc(N2CCC3(O)CCCCC3C2)c(Cl)c1 to have a lower LogP value.,NC(=S)c1ccc(N2CCC3(O)CCC(CC=O)CC3C2)c(Cl)c1
MR,Please modify the molecule Cc1cc(Cl)cc(C)c1OCCCC[NH2+]CC(C)C to increase its MR value.,Cc1cc(C(=O)[OH])cc(C)c1OCCCC[NH2+]CC(C)C
QED,Optimize the molecule NC(CCCNC(=O)c1ccc2c(c1)CCC2)=[NH+]O to have a higher QED value.,NC(CCCNC(=O)c1ccc2c(c1)CCC2)=[NH+]F
AtomNum,"The molecule consists of 9 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",O=C([O-])c1cc(Cl)c2scc([N+](=O)[O-])c2c1
BondNum,"The molecule is composed of 10 single bonds, 2 double bonds, 5 rotatable bonds, and 23 aromatic bonds.",COc1cn(-c2ccc(-n3cccn3)cc2)nc(C2CC=NN2c2ccccc2)c1=O
FunctionalGroup,"The molecule contains 3 benzene ring groups, 5 amide groups, and 1 halo group.",Cc1cc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCCCC4)c3C)CC2)ccc1NC(=O)c1ccc(F)cc1
AddComponent,Add a hydroxyl to the molecule C=C1C(C2CCCCC2)=CC(Sc2ccccc2)C=C1C1CCCCC1.,C=C1C(C2CCCCC2)=CC(Sc2ccccc2)C=C1C1CCC(O)CC1
SubComponent,Substitute a CC1CCC(CNC(=O)CS)C1 in the molecule thiol with a aldehyde.,CC(=O)CC(=O)NCC1CCC(C)C1
DelComponent,Modify the molecule amide by removing a CCCCn1nccc1NC(=O)CCc1c(C)noc1C.,CCCCn1nccc1Cc1c(C)noc1C
LogP,Please optimize the molecule COC(=O)C(C)(C)COc1ccc(Br)cc1C(C)O to have a higher LogP value.,COC(=O)C(C)(C)COc1ccc(Br)cc1C(C)C(=O)[OH]
MR,Please modify the molecule Cc1cnn(CCOc2ccc(C[NH+]3CCCC(O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)c1 to decrease its MR value.,Cc1cnn(CCOc2ccc(C[NH+]3CCCC(COc4ccc(Cl)c(Cl)c4)CC3)cc2)c1
QED,Please optimize the molecule Cc1cc(Cn2cncc2Cc2ccc(C#N)cc2)ccc1-c1cccc(C(F)(F)F)c1 to have a higher QED value.,Cc1cc(Cn2cncc2Cc2ccc(C#N)cc2)ccc1-c1cccc(C(F)(F)C(=O)[OH])c1
AtomNum,"The molecule consists of 14 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",COC(=O)c1ccc(-c2cnc(N)cc2C(=O)[O-])c(F)c1
BondNum,"The molecule has 11 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(OCc2cccc(N3CCC([NH3+])C3=O)c2)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 amine group, and 2 halo groups.",CN(Cc1cccnc1)C(=O)c1cc(N)cc(Cl)c1Cl
AddComponent,Please add a amine to the molecule COCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1.,COCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(CN)c1
SubComponent,Substitute a O=C1C(O)=C(c2cccc3ccccc23)C(c2cccc(F)c2)N1c1ccc(N2CCCCC2)cc1 in the molecule hydroxyl with a thiol.,O=C1C(S)=C(c2cccc3ccccc23)C(c2cccc(F)c2)N1c1ccc(N2CCCCC2)cc1
DelComponent,Modify the molecule amide by removing a CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1nn(CC)c(=O)c2ccccc12.,CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1-n1n(CC)c(=O)c2ccccc2-1
LogP,Optimize the molecule Cc1cccc(CC2CN(S(=O)(=O)C3CCCS3)CCN2c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1 to have a lower LogP value.,Cc1cccc(CC2CN(S(=O)(=O)C3CCCS3)CCN2c2ccc(C(O)(C(F)(F)F)C(F)(F)NO)cc2)c1
MR,Please modify the molecule OC(C[NH2+]CC1CC2C=CC1C2)COCC1CC1 to increase its MR value.,OC(C[NH2+]CC1C2C=CC(C2)C1c1ccccc1)COCC1CC1
QED,Optimize the molecule Cc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1C to have a higher QED value.,Cc1cc(C#N)ccc1NS(=O)(=O)c1ccc(F)cc1C
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 2 chlorine atoms.",[NH3+]C(c1ccc(-c2cc(Cl)cc(Cl)c2)s1)C1CC1
BondNum,"The molecule has 10 single bonds, 5 double bonds, and 6 rotatable bonds.",CN(CCOC(=O)C=CC(=O)[O-])S(C)(=O)=O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 3 halo groups.",Cc1ccc(C)n1Cc1cccc(C(F)(F)F)c1
AddComponent,Add a carboxyl to the molecule [NH3+]CC1Oc2cc(Cl)ccc2NC1=O.,[NH3+]CC1Oc2cc(Cl)c(C(=O)O)cc2NC1=O
SubComponent,Substitute a halo in the molecule Cc1cc(F)c(C(Cl)C2CC2c2ccccc2)cc1F with a thiol.,Cc1cc(S)c(C(Cl)C2CC2c2ccccc2)cc1F
DelComponent,Remove a halo from the molecule Cc1cc(Cn2c(N)nc3cc(Cl)c(F)cc32)on1.,Cc1cc(Cn2c(N)nc3cc(Cl)ccc32)on1
LogP,Please optimize the molecule C=C(C)C#CC(c1ccc(Cl)cc1)[NH+]1CCC(CC(=O)[O-])CC1c1ccc(C(F)(F)F)cc1 to have a lower LogP value.,C=C(C)C#CC(c1ccc(C#N)cc1)[NH+]1CCC(CC(=O)[O-])CC1c1ccc(C(F)(F)F)cc1
MR,Please optimize the molecule Clc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 to have a lower MR value.,c1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1
QED,Please optimize the molecule CC(NC(=O)CCCCl)c1nnc(SCc2ccccc2)n1-c1cc(Cl)ccc1Cl to have a lower QED value.,CC(NC(=O)CCCCl)c1nnc(SCc2ccccc2)n1-c1c(Cl)ccc(Cl)c1N
AtomNum,"The molecule has 17 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 1 bromine atom.",Cc1nc(-c2nc(Br)cnc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)no1
BondNum,"There is a molecule with 11 single bonds, 2 double bonds, and 2 rotatable bonds.",O=C1C=C(CC2CCCO2)CC1
FunctionalGroup,The molecule has and 1 benzene ring group.,Cc1ccccc1-c1noc(-c2ccc(N3CC[NH+](C)CC3)nc2)n1
AddComponent,Modify the molecule CCC[NH2+]C(Cc1ccc(Cl)s1)c1cc(C)ccc1C by adding a hydroxyl.,CCC[NH2+]C(Cc1ccc(Cl)s1)c1cc(C)cc(O)c1C
SubComponent,Modify the molecule hydroxyl by substituting a Cn1cc(CCC(O)CSC2CCCCC2)cn1 with a nitro.,Cn1cc(CCC(CSC2CCCCC2)NO)cn1
DelComponent,Remove a O=c1[nH]cc(C[NH2+]CC(O)C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 from the molecule halo.,O=c1[nH]cc(C[NH2+]CC(O)C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c2ccccc12
LogP,Optimize the molecule Cc1cccc(C)c1Oc1cccc2c1CCC2Oc1ccc(C2=CC(=O)NS2=O)cc1 to have a lower LogP value.,Cc1cc(C#N)cc(C)c1Oc1cccc2c1CCC2Oc1ccc(C2=CC(=O)NS2=O)cc1
MR,Modify the molecule COCC(NC(=O)N1CCCC2C(=O)N3CCc4ccccc4C3CC21)(OC)c1ccccc1 to have a lower MR value.,COCC(NC(=O)N1CCC2C1CC21CCc2ccccc21)(OC)c1ccccc1
QED,Optimize the molecule C=CC(=O)OCCOc1ccc(Oc2ccc(Oc3ccc(OCCOC(=O)C=C)cc3)cc2)cc1 to have a lower QED value.,C=CC(=O)OCCOc1ccc(OOc2ccc(OCCOC(=O)C=C)cc2)cc1
AtomNum,"The molecule consists of 21 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",COc1nccc2c(-c3cc([N+](=O)[O-])ccc3Oc3ccc(F)cc3)cn(C)c12
BondNum,"There is a molecule with 12 single bonds, 1 rotatable bond, and 6 aromatic bonds.",COc1ccc(Cl)c2c1CC1C[NH2+]CCN21
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 5 halo groups.",Cc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(Cc4cccc(C(F)(F)F)c4)c3)c2n1
AddComponent,Modify the molecule COc1ccc(C(OCC2CC(O)CC2C(=O)CCCSSCCN2C(=O)c3ccccc3C2=O)(c2ccccc2)c2ccc(OC)cc2)cc1 by adding a amine.,COc1ccc(C(OCC2CC(O)CC2C(=O)CCCSSCC(N)N2C(=O)c3ccccc3C2=O)(c2ccccc2)c2ccc(OC)cc2)cc1
SubComponent,Please substitute a halo in the molecule CC(C)(C)OC(=O)N1C(=O)C(OCc2ccccc2)C(C(F)(F)F)C1CC1OCCO1 with a thiol.,CC(C)(C)OC(=O)N1C(=O)C(OCc2ccccc2)C(C(F)(F)S)C1CC1OCCO1
DelComponent,Please remove a amine from the molecule CC1CSC(N(C(=O)COc2ccccc2F)c2ccc(Cl)cc2)=[NH+]1.,CC1CSC1N(C(=O)COc1ccccc1F)c1ccc(Cl)cc1
LogP,Optimize the molecule CN(C(=O)[NH+]=C(N)N)c1ccc(Br)cc1Br to have a lower LogP value.,CN(C(=O)[NH+]=C(N)N)c1ccc(O)cc1Br
MR,Modify the molecule CC(C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)[NH+]1CCC(C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1 to increase its MR value.,CC(C(=O)Nc1ccc(S)c(C(=O)Nc2ccccc2)c1)[NH+]1CCC(C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1
QED,Optimize the molecule CCCC(C(=O)[O-])c1ccn2nccc2n1 to have a higher QED value.,CCCC(C(=O)[O-])c1cc(N)n2nccc2n1
AtomNum,"The molecule consists of 22 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",CCOC(=O)C1CCC[NH+](CCC(=O)Nc2c(C(=O)OC)[nH]c3cc(OC)ccc23)C1
BondNum,"There is a molecule consisting of 12 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]C(C)c1ccc(NS(=O)(=O)N(C)C(C)C)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amine group.",Cc1ccc(Oc2ccc(C(N)=S)cn2)cc1
AddComponent,Please add a benzene ring to the molecule O=C(CCC1CCN(C(=O)CN2CCOC2=O)CC1)NCc1cccc(C(F)(F)F)c1.,O=C(CCC1CCN(C(=O)CN2CCOC2=O)CC1)NCc1ccc(-c2ccccc2)c(C(F)(F)F)c1
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc2nccc(C(O)CCC3CC[NH+](CCSc4sccc4C)CC3CC(=O)[O-])c2c1 with a aldehyde.,CC(=O)C(CCC1CC[NH+](CCSc2sccc2C)CC1CC(=O)[O-])c1ccnc2ccc(OC)cc12
DelComponent,Remove a amide from the molecule Cc1cc(C)c(NC(=O)CSc2nc3cc(Cl)ccc3o2)c(Cl)c1.,Cc1cc(C)c(Sc2nc3cc(Cl)ccc3o2)c(Cl)c1
LogP,Modify the molecule CC(NC(=O)CCCOc1ccc(Br)cc1)C(C)C(=O)[O-] to have a higher LogP value.,CC(NC(=O)C(CCOc1ccc(Br)cc1)c1ccccc1)C(C)C(=O)[O-]
MR,Please modify the molecule CCc1nc(C(=O)NCC(C)C[NH+]2CCN(C)CC2)no1 to increase its MR value.,CCc1nc(C(=O)NCC(C)C[NH+]2CCN(CO)CC2)no1
QED,Please modify the molecule CCOc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 to increase its QED value.,CCOc1ccc(NC(=S)N2CCN(S(=O)(=O)OC)CC2)cc1
AtomNum,"The molecule consists of 14 carbon atoms, 2 oxygen atoms, and 2 bromine atoms.",O=C1C(Br)=C(OCBr)c2cccc3cccc1c23
BondNum,"There is a molecule consisting of 13 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CC(C)OC(=O)c1cccc(OC(=O)C(C)Oc2ccc(Cl)cc2Br)c1
FunctionalGroup,"Please generate a molecule consisting 1 ketone group, and 1 amide group.",O=C1CCCc2cc(C(=O)C3CCOC3)ccc2N1
AddComponent,Please add a benzene ring to the molecule Cn1ccc(-c2noc(C3CCCC3C(=O)[O-])n2)n1.,Cn1ccc(-c2noc(C3CCCC3(C(=O)[O-])c3ccccc3)n2)n1
SubComponent,Substitute a [NH3+]CC1(C(=O)Nc2ccc(Cl)cn2)CC1 in the molecule halo with a nitrile.,N#Cc1ccc(NC(=O)C2(C[NH3+])CC2)nc1
DelComponent,Please remove a amide from the molecule CCOc1ccc(NC(=O)COC(=O)Cc2cccc(F)c2)cc1OCC.,CCOc1ccc(OC(=O)Cc2cccc(F)c2)cc1OCC
LogP,Modify the molecule CC1CCC(C([NH3+])c2ccc(Br)cc2C(F)(F)F)CC1 to decrease its LogP value.,CC1CCC(C([NH3+])c2ccc(Br)c(N)c2C(F)(F)F)CC1
MR,Modify the molecule CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3c(C)cccc3C(=O)N3CCC(C)CC3)CC2)c(C)c1 to increase its MR value.,CCN(CC)C(=O)c1ccc(NC(=O)C(c2ccccc2)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3c(C)cccc3C(=O)N3CCC(C)CC3)CC2)c(C)c1
QED,Optimize the molecule FC(F)(F)c1cccc(Sc2ccc3c[nH+]c(-c4cccs4)n3n2)c1 to have a higher QED value.,O=C([OH])C(F)(F)c1cccc(Sc2ccc3c[nH+]c(-c4cccs4)n3n2)c1
AtomNum,"There is a molecule with 12 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CCc1nnsc1C(=O)Nc1ccc(CS(N)(=O)=O)cc1
BondNum,"The molecule consists of 7 single bonds, 2 double bonds, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",C#CCS(=O)CC(=O)OCc1ccccc1
FunctionalGroup,Please generate a molecule consisting and 1 amine group.,CCOc1ccnc(NC2CCC[NH+](CC)C2)n1
AddComponent,Modify the molecule O=C(CCOC1CCOCC1)N1CCCC(Cn2ccnn2)C1 by adding a hydroxyl.,O=C(CCOC1CCOCC1)N1CCC(O)C(Cn2ccnn2)C1
SubComponent,Please substitute a halo in the molecule Fc1ccc2nc(CC3CC[NH2+]C3)n(C3CC3)c2c1 with a hydroxyl.,Oc1ccc2nc(CC3CC[NH2+]C3)n(C3CC3)c2c1
DelComponent,Modify the molecule halo by removing a CCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1Cl.,CCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1ccccc1Cl
LogP,Please optimize the molecule C=CC[NH+](CCCCCCO)CCCCCCO to have a higher LogP value.,C=CC[NH+](CCCCCCO)CCCCCCC#N
MR,Please optimize the molecule CC(C)(Cc1csc(C2(C)C(=O)Nc3nc(-c4nn(CC5CCCC5)c5cc(Cl)ccc45)nc(N)c32)n1)C(=O)[O-] to have a lower MR value.,CC(C)(Cc1csc(C2(C)C(=O)Nc3nc(-c4nn(CC5CCCC5)c5cc(Cl)ccc45)ncc32)n1)C(=O)[O-]
QED,Please optimize the molecule CC(C)C(C#N)NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 to have a higher QED value.,CC(C)C(C#N)NC(=O)c1ccnc(C(C)(C)C)c1
AtomNum,"There is a molecule consisting of 23 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",O=C(NC(C(=O)[O-])c1ccccc1)C1CCC(CN2NNc3ccccc3C2=O)CC1
BondNum,"The molecule is composed of 15 single bonds, 2 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",COc1ccc(C(=O)NC(C)c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 4 amide groups, and 1 halo group.",CCC(=O)Nc1cc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(N)=O)c3C)CC2)ccc1F
AddComponent,Modify the molecule COc1cccc2cc(C(=O)NCCNc3cc(N4CCCC4)ncn3)oc12 by adding a benzene ring.,O=C(NCCNc1cc(N2CCCC2)ncn1)c1cc2cccc(OCc3ccccc3)c2o1
SubComponent,Modify the molecule halo by substituting a CCc1c(C)nc(C2(OC)CCCCC2)nc1Cl with a aldehyde.,CC(=O)c1nc(C2(OC)CCCCC2)nc(C)c1CC
DelComponent,Please remove a amine from the molecule CCCNc1nnc(Cn2nc(C)c(C)c2C)s1.,CCCc1nnc(Cn2nc(C)c(C)c2C)s1
LogP,Please modify the molecule CC(NC(=O)OC(C)(C)C)c1nc2cccc(Cl)c2c(=O)n1CCC[NH+](C)C to decrease its LogP value.,CC(NC(=O)OC(C)(C)C)c1nc2cccc(Cl)c2c(=O)n1CCC(O)[NH+](C)C
MR,Please optimize the molecule Cc1noc(-c2cn(C)nc2C2CCCCN2C(=O)c2cccc(F)c2)c1C to have a higher MR value.,Cc1noc(-c2cn(C)nc2C2CCCCN2C(=O)c2cccc(NO)c2)c1C
QED,Please modify the molecule O=C(CC1CCOCC1)NCC(O)c1ccc(Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)cc1 to increase its QED value.,O=C(CC1CCOCC1)NCC(O)c1ccc(Nc2ncc(-c3ccc(OCF)cc3)cn2)cc1
AtomNum,"There is a molecule composed of 10 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",COC1(OC)CN(C2CCC[NH2+]C2)C1
BondNum,"There is a molecule with 16 single bonds, 3 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",O=C(C1CC(F)CN1S(=O)(=O)c1cccc2ccccc12)N1CCOCC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 hydroxyl group.",CCCn1c(-c2ccc(OC)c(C)c2)ccc(CO)c1=O
AddComponent,Add a aldehyde to the molecule CCOc1ccc(OCC(=O)NCC(c2ccccc2OC)[NH+](C)C)cc1.,CCOc1ccc(OCC(=O)NCC(c2ccccc2OC)[NH+](C)C)cc1CC=O
SubComponent,Please substitute a O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC(c1ccccc1)c1ccccc1 in the molecule halo with a thiol.,O=C(CCNS(=O)(=O)c1ccc(S)c(F)c1)NC(c1ccccc1)c1ccccc1
DelComponent,Please remove a benzene ring from the molecule COc1cccc(C2CCCN2c2cc(Cl)nc(N)n2)c1.,COC1CCCN1c1cc(Cl)nc(N)n1
LogP,Optimize the molecule CCN(CC1(C(=O)[O-])CCOC1)c1ccccc1 to have a lower LogP value.,CCNCC1(C(=O)[O-])CCOC1
MR,Optimize the molecule CCC(C)C([NH3+])c1nc2c(F)cccc2n1C(C)C to have a higher MR value.,CCC(C)C([NH3+])c1nc2c(NO)cccc2n1C(C)C
QED,Modify the molecule COc1ccc(CCC(=O)CCC(C)(C)O)cc1 to have a lower QED value.,COc1ccc(CCC(=O)CCC(C)(C)C#N)cc1
AtomNum,"Please generate a molecule composed of 9 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CN(CCS(C)(=O)=O)c1cccnc1N
BondNum,"There is a molecule with 12 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CCC1(C)COC(c2ccc(Br)cc2)C(C)[NH2+]1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amine group, 2 halo groups, and 1 sulfone group.",CC([NH3+])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
AddComponent,Modify the molecule Cc1ccc(-n2nnnc2SC(C)C(=O)c2c[nH]c3ccccc23)cc1 by adding a hydroxyl.,Cc1ccc(-n2nnnc2SC(CO)C(=O)c2c[nH]c3ccccc23)cc1
SubComponent,Substitute a halo in the molecule CC1=NN(c2ncc(Cl)cc2Cl)C(=O)C1 with a nitrile.,CC1=NN(c2ncc(C#N)cc2Cl)C(=O)C1
DelComponent,Modify the molecule amide by removing a CSc1ccc(NC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cn1.,CSc1ccc(C2CCCN2C(=O)c2cccc3ccccc23)cn1
LogP,Modify the molecule CCCCCCCCC=CCCCCCCC1=[NH+]C=C[N+]1(CCN)CC(=O)[O-] to have a lower LogP value.,CCCCCCCCC=CCCCCCCC1=[NH+]C=C[N+]1(CCN)C(O)C(=O)[O-]
MR,Modify the molecule CC(CC1CC[NH2+]CC1)c1ccccc1Cl to have a lower MR value.,CC(CC1CC[NH2+]CC1)c1ccccc1O
QED,Modify the molecule CCOc1cc(CNc2c(C)ccnc2Cl)ccc1O to have a lower QED value.,CCOc1cc(CNc2c(CO)ccnc2Cl)ccc1O
AtomNum,"There is a molecule with 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1cccc(C)c1NC(=O)C(=O)N1CCCCCC1
BondNum,"There is a molecule composed of 8 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",Cc1c(Br)cccc1C(=O)COC(C)C
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,c1ccc(C2(c3ncn[nH]3)CO2)cc1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1C.,Cc1cc(O)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1C
SubComponent,Substitute a halo in the molecule Cc1cccnc1C(C)NC(=O)C1CNNC1c1ccccc1F with a nitrile.,Cc1cccnc1C(C)NC(=O)C1CNNC1c1ccccc1C#N
DelComponent,Please remove a benzene ring from the molecule CC1(C)C2(C=Cc3ccc([N+](=O)[O-])cc3)N=NC1(c1ccccc1)C1CCCC12.,CC1(C)C2N=NC1(C=Cc1ccc([N+](=O)[O-])cc1)C1CCCC21
LogP,Optimize the molecule COc1ccccc1CNC(=O)Cn1cccc1 to have a higher LogP value.,COc1ccccc1Cn1cccc1
MR,Modify the molecule c1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)nc4)nc4ccccc34)cc2)cc1 to increase its MR value.,c1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6oc7c(-c8ccccc8)cccc7c56)nc4)nc4ccccc34)cc2)cc1
QED,Modify the molecule O=C([O-])c1ccc(SCC(c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)C2CCCCC2)cc1 to have a higher QED value.,O=C([O-])c1ccc(SCC(c2ccc(-c3ccc(C(F)F)cc3)nc2)C2CCCCC2)cc1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CN(CC1CC[NH+](C)CC1)C(=O)NC(C)(C)CCC(=O)[O-]
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",O=C1Cc2cc(Cl)cc(C(O)c3ccccc3Cl)c2N1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",O=C(COc1ccccc1)Nc1ccc2c(=O)[nH][nH]c(=O)c2c1
AddComponent,Modify the molecule CCOC(=O)c1ccc(C#N)c(C(F)(F)F)c1 by adding a aldehyde.,CCOC(=O)c1cc(CC=O)c(C#N)c(C(F)(F)F)c1
SubComponent,Modify the molecule halo by substituting a CCC([NH3+])Cc1ccc(N(C)CC)cc1Br with a thiol.,CCC([NH3+])Cc1ccc(N(C)CC)cc1S
DelComponent,Remove a hydroxyl from the molecule Cc1c(CCC(=O)N2CC[NH+](CCO)CC2)cnn1C.,CC[NH+]1CCN(C(=O)CCc2cnn(C)c2C)CC1
LogP,Modify the molecule CCOC(=O)c1sc(NC(=O)CSc2nnc(CS(=O)(=O)c3ccc(C)cc3)n2-c2ccccc2)c(C(=O)OCC)c1C to have a lower LogP value.,CCOC(=O)c1sc(NC(=O)CSc2nnc(CS(=O)(=O)c3ccc(C)cc3C(=O)O)n2-c2ccccc2)c(C(=O)OCC)c1C
MR,Optimize the molecule Cc1ccc(NC(=O)c2cccc(NC(=O)C[NH+]3CCC(C(=O)Nc4cc(C(=O)Nc5ccc(F)cc5)ccc4C)CC3)c2C)c(F)c1 to have a lower MR value.,Cc1ccc(NC(=O)N(C)C(=O)C[NH+]2CCC(C(=O)Nc3cc(C(=O)Nc4ccc(F)cc4)ccc3C)CC2)c(F)c1
QED,Please modify the molecule Cc1ccncc1C(CN)[NH2+]CCN(C)C to increase its QED value.,Cc1ccncc1C(C)[NH2+]CCN(C)C
AtomNum,"There is a molecule composed of 10 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(C)(C)N1N=C2CCOCC2C1=O
BondNum,"Please generate a molecule composed of 13 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CC(c1ccccc1F)[NH+](C)CCC[NH2+]C1CC1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, 1 halo group, and 1 sulfide group.",Cc1sc(C(O)C2(C[NH3+])CCCc3ccccc32)cc1Br
AddComponent,Modify the molecule COCC(C)OC(=O)C(C)C1C[NH2+]C1 by adding a hydroxyl.,COCC(C)OC(=O)C(C)(O)C1C[NH2+]C1
SubComponent,Substitute a halo in the molecule Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O with a nitrile.,Cc1ccc(C#N)cc1N(CC(=O)NN=Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O
DelComponent,Modify the molecule halo by removing a C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OS(=O)(=O)c1ccccc1.,C=CCc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccccc1
LogP,Modify the molecule CCN(c1cccc(F)c1)c1n[nH]c(=S)n1C1CC1 to have a lower LogP value.,CCN(c1ccccc1)c1n[nH]c(=S)n1C1CC1
MR,Please modify the molecule Cc1ccc2oc(=O)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c1 to increase its MR value.,Cc1ccc2oc(=O)c(C(=O)N3CCN(c4ccc(NO)cc4)CC3)cc2c1
QED,Please optimize the molecule CC1(C)OCC(C(CCS(=O)(=O)[O-])NC(=O)OCc2ccccc2)O1 to have a lower QED value.,COC(=O)NC(CCS(=O)(=O)[O-])C1COC(C)(C)O1
AtomNum,"There is a molecule with 16 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",Cc1ccc(C(C)n2c(C(C)Cl)nc3cccc(Cl)c32)s1
BondNum,"The molecule is composed of 19 single bonds, 2 double bonds, and 10 rotatable bonds.",CCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 halo group.",O=C(NCc1ccc(F)cc1)N(Cc1cccnc1)CC1CCCO1
AddComponent,Please add a hydroxyl to the molecule Cc1[nH]ncc1C(=O)NC(C)(CO)CO.,Cc1[nH]ncc1C(=O)NC(C)(CO)C(O)O
SubComponent,Please substitute a hydroxyl in the molecule C[NH+]1CCCc2c(CCO)cccc2C1 with a carboxyl.,C[NH+]1CCCc2c(CCC(=O)[OH])cccc2C1
DelComponent,Modify the molecule OCCNc1cc(-c2ccc(NC3CCCC3)nn2)c2ccnc-2[nH]1 by removing a amine.,OCCNc1cc(-c2ccc(C3CCCC3)nn2)c2ccnc-2[nH]1
LogP,Please optimize the molecule COc1ccc(OCCCS)cc1[N+](=O)[O-] to have a lower LogP value.,COc1ccc(OCCCO)cc1[N+](=O)[O-]
MR,Please optimize the molecule Fc1cc(Cl)ccc1CSc1nnc(-c2cccnc2)o1 to have a higher MR value.,N#Cc1cc(Cl)ccc1CSc1nnc(-c2cccnc2)o1
QED,Modify the molecule O=C(Nc1ccc(-n2cnnn2)cc1)N1CCN(C(=O)C2CCCO2)CC1 to increase its QED value.,O=C(Nc1ccc(-n2cnnn2)cc1)N1CCC(C2CCO2)C1
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CCc1ccc(CNc2ncnn2C)o1
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]C(Cc1c(C)cccc1[N+](=O)[O-])CC(C)C
FunctionalGroup,The molecule consists of and 2 amide groups.,CCC1=C(C)C(=O)NC1=Cc1[nH]c(Cc2[nH]c(C=C3NC(=O)C(C)=C3CC)c(C)c2CC(=O)[O-])c(CC(=O)[O-])c1C
AddComponent,Please add a hydroxyl to the molecule CN(C(=O)c1cn(CC[NH3+])nn1)c1ccc(O)cc1.,CN(C(=O)c1cn(CC([NH3+])O)nn1)c1ccc(O)cc1
SubComponent,Substitute a CC(Cl)c1nc2ccc(F)cc2n1CC(F)(F)C(F)F in the molecule halo with a hydroxyl.,CC(O)c1nc2ccc(F)cc2n1CC(F)(F)C(F)F
DelComponent,Modify the molecule O=C(CCc1cncnc1)NC1c2ccccc2OCC1O by removing a amide.,OC1COc2ccccc2C1Cc1cncnc1
LogP,Modify the molecule CC(O)(CNC(=O)c1ccc(F)cc1C(F)(F)F)c1ccsc1 to have a higher LogP value.,O=C(NCC(O)(Cc1ccccc1)c1ccsc1)c1ccc(F)cc1C(F)(F)F
MR,Optimize the molecule COc1ccc(C)cc1NC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1 to have a higher MR value.,COc1ccc(C)cc1NC(=O)N1CCc2c(c(COCc3cccc(C(=O)[OH])c3)nn2C)C1
QED,Optimize the molecule O=C([O-])C(S)=Cn1cccc1 to have a higher QED value.,O=C([O-])C=Cn1cccc1
AtomNum,"There is a molecule composed of 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",COc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)c1
BondNum,"Please generate a molecule consisting 12 single bonds, 2 double bonds, 3 rotatable bonds, and 23 aromatic bonds.",Cc1ccccc1N1CCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",CCOc1ccccc1NC(=O)CCCc1nc(C(C)C)no1
AddComponent,Please add a carboxyl to the molecule C=C(C)CN1C(=O)NC(CC)(C2CC[NH+](CC(C)Cc3ccc4c(c3)OCO4)CC2)C1=O.,C=C(C)CN1C(=O)NC(CC)(C2CC[NH+](CC(C)C(C(=O)O)c3ccc4c(c3)OCO4)CC2)C1=O
SubComponent,Please substitute a nitro in the molecule CN(C)c1ccc(C(=O)c2ccccc2C(=O)NC2CCCC2)cc1[N+](=O)[O-] with a thiol.,CN(C)c1ccc(C(=O)c2ccccc2C(=O)NC2CCCC2)cc1[SH]=O
DelComponent,Remove a CCCCCC1CCC(c2ccc(B(O)O)cc2)CC1F from the molecule hydroxyl.,CCCCCC1CCC(c2ccc(BO)cc2)CC1F
LogP,Please modify the molecule CN(C)S(=O)(=O)c1cc2c(N=O)c(O)[nH]c2c2c1C[NH+](C)CC2 to increase its LogP value.,CN(C)S(=O)(=O)c1cc2c(N=O)c[nH]c2c2c1C[NH+](C)CC2
MR,Please modify the molecule COc1ccc(C(=O)NCc2nnc(SCc3ccc(F)cc3)n2-c2cc(Cl)ccc2Cl)cc1 to increase its MR value.,COc1ccc(C(=O)NCc2nnc(SCc3ccc(S)cc3)n2-c2cc(Cl)ccc2Cl)cc1
QED,Modify the molecule O=C([O-])CCCNC(=O)Cc1cocn1 to have a higher QED value.,O=C([O-])CC(CNC(=O)Cc1cocn1)c1ccccc1
AtomNum,"There is a molecule composed of 10 carbon atoms, 3 nitrogen atoms, and 1 bromine atom.",CC(C)n1nc(N)c2ccc(Br)cc21
BondNum,"Please generate a molecule with 5 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",Cc1ncsc1-c1nc(CC[NH3+])no1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 1 thioether group, and 1 sulfide group.",CCCN(C(=O)CSc1nnnn1-c1cccc(C)c1C)C1=CCCCC1
AddComponent,Modify the molecule Nc1c2c(-c3ccc(F)cc3)nc(NCC[NH+]3CCOCC3)nc2nn1-c1ccccc1Cl by adding a amine.,Nc1c2c(-c3ccc(F)cc3)nc(NCC[NH+]3CCOC(N)C3)nc2nn1-c1ccccc1Cl
SubComponent,Modify the molecule O=[N+]([O-])c1ccc(Cl)cc1NCCc1cccc(Cl)c1 by substituting a halo with a nitrile.,N#Cc1ccc([N+](=O)[O-])c(NCCc2cccc(Cl)c2)c1
DelComponent,Please remove a CC(CNC(=O)C1CC(=O)N(C2CCCC2)C1)c1ccccc1 from the molecule amide.,CC(c1ccccc1)C1CC(=O)N(C2CCCC2)C1
LogP,Please modify the molecule COc1cccc(CC(C)(CO)N=Nc2cccc(OC)c2OC)c1OC to increase its LogP value.,COc1cccc(CC(C)(CS)N=Nc2cccc(OC)c2OC)c1OC
MR,Modify the molecule CN(C)c1cccnc1C[NH2+]Cc1cccc(C(=O)[O-])c1 to have a higher MR value.,CN(C)c1c(S)ccnc1C[NH2+]Cc1cccc(C(=O)[O-])c1
QED,Modify the molecule CSc1ccc(C(C)(C(=O)[O-])[NH+]2CCCCCC2)cc1 to decrease its QED value.,CSC(C)(C(=O)[O-])[NH+]1CCCCCC1
AtomNum,"Please generate a molecule with 20 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1cccc(CC(=O)N2CCc3cnc(N4CCOCC4)nc3C2)c1
BondNum,"There is a molecule with 5 single bonds, 3 double bonds, 2 rotatable bonds, and 11 aromatic bonds.",COC(=O)C=C(C)c1cc2ccccc2oc1=O
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 sulfone group.",CC(C)CS(=O)(=O)N1CCN(C(=O)C2CC2)C1
AddComponent,Modify the molecule Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C(=O)NC(C)C)c2cccc(Cl)c2C)cc1 by adding a benzene ring.,Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C(=O)NC(C)Cc2ccccc2)c2cccc(Cl)c2C)cc1
SubComponent,Modify the molecule halo by substituting a CCCC(=O)Oc1c(OC)cc(Cl)cc1C1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CCC with a nitro.,CCCC(=O)Oc1c(OC)cc(NO)cc1C1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CCC
DelComponent,Please remove a halo from the molecule COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1.,COC(=O)c1cccc(NC(=O)c2ccccc2N2CCCC2=O)c1
LogP,Modify the molecule CC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 to increase its LogP value.,CC1CC[NH+](Cc2ccc(NC(=O)C(C)Sc3ccccc3)cc2)CC1
MR,Please modify the molecule O=C1N2CCCc3cccc(c32)C12CC[NH+](CC(O)C1COc3ccccc3O1)CC2 to increase its MR value.,N#CC(C[NH+]1CCC2(CC1)C(=O)N1CCCc3cccc2c31)C1COc2ccccc2O1
QED,Modify the molecule CC(OC1CCC(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 to have a lower QED value.,CC(=O)c1ccc(C2C(C[NH+]3CCC(C(=O)N4CCOCC4)CC3)CCC2OC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
AtomNum,"The molecule consists of 10 carbon atoms, 1 oxygen atom, and 2 chlorine atoms.",CC(C)(C)c1c(O)ccc(Cl)c1Cl
BondNum,"The molecule has 11 single bonds, 3 double bonds, 1 rotatable bond, and 6 aromatic bonds.",CC1=NN(C)C(=[NH2+])C1=Nc1cc(C)c(O)c(Cl)c1N
FunctionalGroup,"There is a molecule composed of 1 amine group, and 1 sulfone group.",Cc1ccc2[nH]c(=O)c(CNS(=O)(=O)C3CCCC3)cc2c1
AddComponent,Add a benzene ring to the molecule CCNc1ccc(Cl)cc1C(=O)N(C)CCO.,CCNc1ccc(Cl)cc1C(=O)N(CCO)Cc1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1cc(C(O)CC2OCCc3ccccc32)ccc1Br with a nitro.,Cc1cc(C(CC2OCCc3ccccc32)NO)ccc1Br
DelComponent,Remove a amide from the molecule O=C(CC[NH+]1CCOCC1)Nc1ccccc1C1=[NH+]CCCN1.,c1ccc(C2=[NH+]CCCN2)c(C[NH+]2CCOCC2)c1
LogP,Modify the molecule CCc1nc(NCc2cccc(OCCOC)c2)ncc1C to have a lower LogP value.,COCCOc1cccc(CNc2ncc(C)c(CCO)n2)c1
MR,Please modify the molecule CC(O)C([NH3+])C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(C(=O)NC(Cc1cnc[nH]1)C(=O)[O-])C(C)O to increase its MR value.,CC(O)C(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C([NH3+])C(C)C#N)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]
QED,Please optimize the molecule O=C([O-])CC1(C2CCCC2)CCCCCC1 to have a higher QED value.,O=C([O-])C(O)C1(C2CCCC2)CCCCCC1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 3 nitrogen atoms, and 1 chlorine atom.",CC[NH2+]C(CC)CCc1c(Cl)c(CC)nn1CC
BondNum,"The molecule contains 10 single bonds, 3 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",Cc1nonc1COc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1
FunctionalGroup,"The molecule consists of 1 amine group, and 1 halo group.",C[NH2+]CCN(C)c1ncc(N)cc1Br
AddComponent,Add a amine to the molecule CSc1cccc(NC(=O)CN2C(=O)SC(=Cc3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)c1.,CSc1cccc(NC(=O)CN2C(=O)SC(=Cc3cc(Cl)ccc3OCc3ccc(N)c(Cl)c3)C2=O)c1
SubComponent,Modify the molecule halo by substituting a O=C(C[NH2+]C1CC1)Nc1c(F)cccc1F with a nitrile.,N#Cc1cccc(F)c1NC(=O)C[NH2+]C1CC1
DelComponent,Remove a benzene ring from the molecule CC1CCC(C(C)C)C(OC2CC([Se]c3ccccc3)(C(O)CCN(Cc3ccccc3)C(=O)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)O2)C1.,CC1CCC(C(C)C)C(OC2CC([Se]c3ccccc3)(C(O)CCN(C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)O2)C1
LogP,Modify the molecule O=C(NCc1cccc(N2CCOCC2)n1)c1coc(C2CCCCC2)n1 to have a lower LogP value.,O=C(NCc1ccc(O)c(N2CCOCC2)n1)c1coc(C2CCCCC2)n1
MR,Please optimize the molecule C[NH2+]C(c1cc(OC)c(OC)cc1Cl)C1CC1(C)C to have a higher MR value.,C[NH2+]C(c1cc(OC)c(OC)cc1NO)C1CC1(C)C
QED,Please optimize the molecule CN(CCc1ccccc1)C(N)=[NH+]c1ccccc1 to have a lower QED value.,CN(CCc1ccccc1)C(=[NH+])N
AtomNum,"Please generate a molecule with 14 carbon atoms, 4 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",Cn1c(=S)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21
BondNum,"The molecule consists of 17 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)C(C)Sc1nnc(C2CCCCC2)n1-c1ccc(Cl)c(Cl)c1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 1 ester group, and 1 sulfone group.",CCOc1cccc(OCCc2cccc(S(=O)(=O)c3ccccc3)c2)c1OC(=O)CC
AddComponent,Please add a hydroxyl to the molecule COc1ccc(-c2nc(NCC[NH+]3CCOCC3)c3ncn(Cc4ccc(C(F)(F)F)cc4)c3n2)cc1.,COc1ccc(-c2nc(NCC[NH+]3CCOCC3)c3ncn(Cc4ccc(C(F)(F)F)cc4)c3n2)cc1O
SubComponent,Substitute a halo in the molecule CO[Si](C)(Cl)CCCN([Si](C)(C)C)[Si](C)(C)C with a thiol.,CO[Si](C)(S)CCCN([Si](C)(C)C)[Si](C)(C)C
DelComponent,Modify the molecule benzene ring by removing a COc1ncccc1CNc1cccc(Oc2cc(=O)[nH]c3ccccc23)c1.,COc1ncccc1CNOc1cc(=O)[nH]c2ccccc12
LogP,Optimize the molecule BrCc1c(I)ccc2c1CCC2 to have a lower LogP value.,O=C([OH])Cc1c(I)ccc2c1CCC2
MR,Modify the molecule O=C(OC1CC[NH+](CC(O)(Cn2cncn2)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1 to have a higher MR value.,O=C(OC1CC[NH+](CC(O)(Cn2cncn2)c2ccc(F)cc2F)CC1O)c1ccc(Cl)cc1
QED,Please modify the molecule O=C(COc1cccc(F)c1)N1CCC(CO)CC1 to decrease its QED value.,CC(=O)c1cccc(OCC(=O)N2CCC(CO)CC2)c1
AtomNum,"The molecule consists of 13 carbon atoms, 3 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Fc1cc(C[NH2+]C2CC2)cc(-n2cc(Cl)cn2)c1
BondNum,"Please generate a molecule with 3 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",CCCc1cccc2oc(=O)[nH]c12
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCC(C)(C)CO)c1
AddComponent,Modify the molecule CC(C)CCOc1ccc(CNCC(F)(F)F)cc1 by adding a hydroxyl.,CC(C)CCOc1ccc(CNCC(F)(F)F)cc1O
SubComponent,Please substitute a halo in the molecule Cc1[nH]c(CSc2cccc(Cl)c2)nc(=O)c1C with a aldehyde.,CC(=O)c1cccc(SCc2nc(=O)c(C)c(C)[nH]2)c1
DelComponent,Remove a CCC(CC)C(=O)NCc1cc(-c2ccccc2)no1 from the molecule amide.,CCC(C)Cc1cc(-c2ccccc2)no1
LogP,Please optimize the molecule COC(=O)CC(OC)OC1COCC1O to have a higher LogP value.,COC(=O)CC(OC)OC1COCC1C(=O)[OH]
MR,Please optimize the molecule COC(=O)Cc1cnc(Cl)c(CBr)c1C(F)F to have a higher MR value.,COC(=O)Cc1cnc(NO)c(CBr)c1C(F)F
QED,Modify the molecule CCn1nc(C(=O)NN=C2CC(C)CCC2C(C)C)c2ccccc2c1=O to have a lower QED value.,CCn1nc(C(=O)NN=C2CC(C)CCC2C(C)C)c2ccc(O)cc2c1=O
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc([N+](=O)[O-])cc1NC1Cc2ccccc2C1
BondNum,"The molecule contains 10 single bonds, 6 rotatable bonds, and 5 aromatic bonds.",CCCCN(C)C(C[NH3+])c1ccc(Br)s1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 ester group, and 1 amine group.",COC(=O)c1ccc(O)c(NCc2cccnc2)c1
AddComponent,Add a benzene ring to the molecule CCC(CC(C)=CCl)(C(=O)[O-])c1ccccc1.,CCC(CC(C)=C(Cl)c1ccccc1)(C(=O)[O-])c1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1cc(F)c(-c2ccno2)cc1F with a thiol.,Cc1cc(S)c(-c2ccno2)cc1F
DelComponent,Remove a benzene ring from the molecule CC(C)CC1NC(=O)C2CCC(OCc3ccccc3)N2C1=O.,COC1CCC2C(=O)NC(CC(C)C)C(=O)N12
LogP,Optimize the molecule CC(C)[NH+]1C2CCC1CN(c1ccc(C#N)cn1)CC2 to have a higher LogP value.,CC(C)[NH+]1C2CC(c3ccccc3)C1CCN(c1ccc(C#N)cn1)C2
MR,Please optimize the molecule C=C(CCCCCCCCCCCCCC)c1ccccc1 to have a higher MR value.,C=C(CCC(O)CCCCCCCCCCC)c1ccccc1
QED,Please modify the molecule CNC(=S)Nc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)cs1 to increase its QED value.,CNC(=S)Nc1nc(C(C)c2ccc(-c3ccccc3)cc2)cs1
AtomNum,"The molecule contains 25 carbon atoms, 6 oxygen atoms, 7 nitrogen atoms, and 1 sulfur atom.",Cc1cc2cc(NC(=NC3CCCCN(CC(=O)N4CCCC4)C3=O)NS(=O)(=O)CCNC(N)=O)ccc2o1
BondNum,"The molecule consists of 17 single bonds, 1 double bond, 9 rotatable bonds, and 12 aromatic bonds.",COc1cc(Cl)c(Nc2nc(Cl)cn(C(COCCF)C3CC3)c2=O)c(Cl)c1
FunctionalGroup,"There is a molecule consisting of 2 hydroxyl groups, 1 ketone group, and 1 ester group.",CC(=Cc1ccncc1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1
AddComponent,Add a benzene ring to the molecule COc1ccc(C)cc1C([O-])=C1C(=O)C(=O)N(c2ccc(Nc3ccccc3)cc2)C1c1ccco1.,COc1cc(-c2ccccc2)c(C)cc1C([O-])=C1C(=O)C(=O)N(c2ccc(Nc3ccccc3)cc2)C1c1ccco1
SubComponent,Please substitute a halo in the molecule COCCn1c(C)cc(C2C(c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(Cl)c2)c1C with a carboxyl.,COCCn1c(C)cc(C2C(c3ccccn3)NC(=S)N2c2ccc(NC(=O)COC)c(C(=O)[OH])c2)c1C
DelComponent,Remove a amide from the molecule C[NH+]1CC2(CCN(C(=O)CCc3cc(=O)[nH]o3)CC2)CC1C(=O)[O-].,C[NH+]1CC2(CCC(c3cc(=O)[nH]o3)CC2)CC1C(=O)[O-]
LogP,Modify the molecule Cc1ccc2cc(-c3nc(Cc4cccc(Br)c4)[nH]c3-c3cccc(Br)n3)ccc2n1 to have a lower LogP value.,Cc1ccc2cc(-c3nc(Cc4cccc(C(=O)[OH])c4)[nH]c3-c3cccc(Br)n3)ccc2n1
MR,Please modify the molecule O=C([O-])NC1CCc2cc(C3=NSC(c4cc(Cl)c(Cl)c(Cl)c4)(C(F)(F)F)C3)ccc21 to increase its MR value.,N#Cc1c(C2(C(F)(F)F)CC(c3ccc4c(c3)CCC4NC(=O)[O-])=NS2)cc(Cl)c(Cl)c1Cl
QED,Modify the molecule COc1ccc2c(c1OC)CN(S(=O)(=O)NS(=O)(=O)N1CCc3ccc(OC)c(OC)c3C1)CC2 to decrease its QED value.,COc1ccc2c(c1OC)CN(S(=O)(=O)S(=O)(=O)N1CCc3ccc(OC)c(OC)c3C1)CC2
AtomNum,"The molecule is composed of 13 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1ccc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",O=C([O-])CCc1nn(Cc2cc(Cl)cc(Cl)c2)c2cc(C(F)(F)F)ccc12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, and 3 halo groups.",CCOC(=O)c1c(-c2cc(Cl)cc(Cl)c2Cl)c(C)n2c1-c1cc(OC)c(OC)cc1CC2
AddComponent,Add a hydroxyl to the molecule CC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCCO1.,CC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCC(O)O1
SubComponent,Modify the molecule hydroxyl by substituting a CCNC(NCC1CC[NH+](Cc2csc(CC)n2)CC1)=[NH+]CC(C)(O)c1ccccc1 with a carboxyl.,CCNC(NCC1CC[NH+](Cc2csc(CC)n2)CC1)=[NH+]CC(C)(C(=O)[OH])c1ccccc1
DelComponent,Modify the molecule amide by removing a COC(=O)C(=C(C)C)N1C(=O)C(NC(C)=O)C1C=Cc1ccccc1.,COC(=O)C(=C(C)C)N1C(=O)CC1C=Cc1ccccc1
LogP,Optimize the molecule O=C(OC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(Cl)cc1F to have a lower LogP value.,O=[SH]c1ccc(NC(=O)C(OC(=O)c2ccc(Cl)cc2F)c2ccccc2)c(Cl)c1
MR,Optimize the molecule N#Cc1ccccc1NC(=O)CCNc1ccc(OCc2ccccc2)cc1 to have a higher MR value.,O=C(CCNc1ccc(OCc2ccccc2)cc1)Nc1ccccc1I
QED,Please modify the molecule CC1CC(O)(Cc2ccnc(N)c2)CCO1 to decrease its QED value.,CC1CC(Cc2ccnc(N)c2)(NO)CCO1
AtomNum,"The molecule is composed of 15 carbon atoms, and 5 oxygen atoms.",CCOC(=O)C(C(=O)OCC)C(C=O)C1CCCCC1
BondNum,"The molecule has 19 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CC1CCn2c(cc(OCc3ccc(OC4CCCCC4)c(F)c3)nc2=O)N1C
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 halo group, and 1 sulfone group.",COc1cc(S(=O)(=O)N2CC[NH2+]C(C)C2)ccc1Br
AddComponent,Add a hydroxyl to the molecule CCCn1c(=O)c2c(nc(C3CCCC3)n2Cc2ccccc2)n(CCCc2ccc(OCCO)cc2)c1=O.,CCCn1c(=O)c2c(nc(C3CCC(O)C3)n2Cc2ccccc2)n(CCCc2ccc(OCCO)cc2)c1=O
SubComponent,Please substitute a halo in the molecule Cc1cc(C(=O)Cc2cc(F)cc(Br)c2)ccc1Br with a hydroxyl.,Cc1cc(C(=O)Cc2cc(O)cc(Br)c2)ccc1Br
DelComponent,Remove a hydroxyl from the molecule CC(C)[NH+]1CC2C[NH2+]CC(C1)C2O.,CC(C)[NH+]1CC2C[NH2+]CC(C2)C1
LogP,Modify the molecule O=C(NC(=O)c1c(F)cccc1F)Nc1cnc(Oc2ccc3cc(Br)ccc3c2Br)c(Cl)c1 to decrease its LogP value.,O=C(NC(=O)c1c(F)cccc1C(=O)[OH])Nc1cnc(Oc2ccc3cc(Br)ccc3c2Br)c(Cl)c1
MR,Modify the molecule Nc1ccc(Cl)c(C(=O)N2CCCNC(=O)C2)n1 to increase its MR value.,Nc1ccc(S)c(C(=O)N2CCCNC(=O)C2)n1
QED,Modify the molecule Cc1cccc(CNc2ccc(NC(=O)c3ccc(F)cc3)nn2)c1 to decrease its QED value.,Cc1ccc(O)c(CNc2ccc(NC(=O)c3ccc(F)cc3)nn2)c1
AtomNum,"There is a molecule with 31 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1cnc(NCC2(c3ccc(-n4c([O-])c5n(c4=O)CCCC5NC(=O)c4ccc5c(Cl)c[nH]c5c4)cc3)CCC2)s1
BondNum,"The molecule contains 6 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",C[NH2+]Cc1ccc(-c2sccc2C)cc1Cl
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfide group.",COCCN1C(=S)NC(c2ccc(F)cc2)C(c2nc(-c3cccs3)no2)=C1C
AddComponent,Modify the molecule CCOC1CCC[NH+](C(CC)CC(N)=[NH+]O)C1 by adding a benzene ring.,CCC(CC(N)=[NH+]O)[NH+]1CCCC(OC(C)c2ccccc2)C1
SubComponent,Modify the molecule halo by substituting a Cc1nn(CC(=O)c2ccc3c(c2)OCO3)c(C)c1Br with a hydroxyl.,Cc1nn(CC(=O)c2ccc3c(c2)OCO3)c(C)c1O
DelComponent,Please remove a benzene ring from the molecule COc1cccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccc(SC(C(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3)cc2)c1OC.,COc1cccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccc(SC(C(=O)NNC(C)=O)c3ccccc3)cc2)c1OC
LogP,Modify the molecule CCOc1ccc(Cc2ccc(COC(C)=O)cc2OC2OC(C(C)O)C(O)C(O)C2O)cc1 to decrease its LogP value.,CCOc1ccc(CC(OC(C)=O)OC2OC(C(C)O)C(O)C(O)C2O)cc1
MR,Please optimize the molecule COC(=N)c1cccc(OCc2ccc(F)cc2)c1 to have a higher MR value.,COC(=N)c1cccc(OCc2ccc(O)cc2)c1
QED,Optimize the molecule CCOc1ccccc1COC(C)=O to have a lower QED value.,CCOCOC(C)=O
AtomNum,"The molecule contains 11 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",C[NH2+]Cc1ccc(Sc2ncco2)c(F)c1
BondNum,"There is a molecule consisting of 10 single bonds, 7 rotatable bonds, and 12 aromatic bonds.",[NH3+]C(Cc1ncccc1F)C(F)COCc1ccccc1
FunctionalGroup,There is a molecule composed of and 2 halo groups.,Cc1cc(C(Cl)c2ccc(Cl)c3ccccc23)co1
AddComponent,Add a amine to the molecule C[NH+]1CCC2CCN(C(=O)NCC(=O)N3CCCC3)C2C1.,C[NH+]1CC(N)C2CCN(C(=O)NCC(=O)N3CCCC3)C2C1
SubComponent,Substitute a Nc1cc(-c2ccc3c(c2F)OCCO3)[nH]n1 in the molecule halo with a thiol.,Nc1cc(-c2ccc3c(c2S)OCCO3)[nH]n1
DelComponent,Modify the molecule nitrile by removing a N#CCC(=O)c1ccc(F)cn1.,CC(=O)c1ccc(F)cn1
LogP,Modify the molecule CC(C)c1ccc(NC(=O)CCCOc2ccccc2Cl)cc1 to decrease its LogP value.,CC(C)c1ccc(NC(=O)CCCOc2ccccc2C(=O)[OH])cc1
MR,Modify the molecule CCNC(=[NH+]CCc1c(C)nn(C)c1C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 to decrease its MR value.,CCC(=[NH+]CCc1c(C)nn(C)c1C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1
QED,Modify the molecule Cc1ccc(CNc2c[nH]ccc2=O)cc1F to have a lower QED value.,Cc1cc(-c2ccccc2)c(CNc2c[nH]ccc2=O)cc1F
AtomNum,"The molecule contains 27 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC[NH+](CCN1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)CC1=CCC2CC1C2(C)C
BondNum,"Please generate a molecule with 11 single bonds, 3 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",COC(=O)CNC(=O)C=Cc1cc(C)n(-c2ccc(C)cc2)c1C
FunctionalGroup,"The molecule contains 1 hydroxyl group, 1 amide group, 2 amine groups, and 1 halo group.",CCC(C)(NC(=O)c1ccc(Cl)o1)C(N)=[NH+]O
AddComponent,Modify the molecule CCCC(C)C(=O)N1CCCC(O)C1 by adding a benzene ring.,CCCC(C)C(=O)N1CCCC(O)C1c1ccccc1
SubComponent,Please substitute a NS(=O)(=O)c1c(Br)cc(Br)c(F)c1F in the molecule halo with a nitro.,NS(=O)(=O)c1c(NO)cc(Br)c(F)c1F
DelComponent,Modify the molecule hydroxyl by removing a O=C([O-])C=C1CC(O)CCO1.,O=C([O-])C=C1CCCCO1
LogP,Modify the molecule Clc1cc(C[NH2+]C2CC2)ccc1OC1CCCCC1 to decrease its LogP value.,ClC([NH2+]C1CC1)OC1CCCCC1
MR,Please modify the molecule Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 to decrease its MR value.,CC1CCCN(C(=O)N(C)C(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)C1
QED,Please optimize the molecule COC1C=C2C3CC(C)(CO)CCC3(C)CCC2(C)C2(C)CCC3C(C)(C)C(=O)CCC3(C)C12 to have a lower QED value.,COC1C=C2C3CC(C)(C)CCC3(C)CCC2(C)C2(C)CCC3C(C)(C)C(=O)CCC3(C)C12
AtomNum,"There is a molecule with 14 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC(C)C(CO)c1nccc2ccccc12
BondNum,"There is a molecule composed of 11 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1cccc(NC2CC(=O)N(c3ccccc3F)C2=O)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 2 amide groups, and 1 sulfide group.",COc1ccc(C(=O)Nc2nc(C(=O)NCC[NH+](C(C)C)C(C)C)cs2)cc1O
AddComponent,Add a amine to the molecule CCCCC(NC(=O)NCCC(=O)NCC)C(=O)[O-].,CCCCC(N)(NC(=O)NCCC(=O)NCC)C(=O)[O-]
SubComponent,Substitute a hydroxyl in the molecule O=C(NCc1ccc(Cl)s1)NC(CO)C(=O)[O-] with a nitro.,ONCC(NC(=O)NCc1ccc(Cl)s1)C(=O)[O-]
DelComponent,Modify the molecule CCOC(=O)C[NH2+]CC(NC(C)=O)C(=O)OC by removing a amide.,CCOC(=O)C[NH2+]CCC(=O)OC
LogP,Optimize the molecule COc1cc(OC)c(C([O-])=C2C(=O)C(=O)N(c3ccc(Oc4ccccc4)cc3)C2c2ccc(O)cc2)cc1Cl to have a lower LogP value.,COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Oc4ccccc4)cc3)C2c2ccc(O)cc2)c(OC)c1
MR,Modify the molecule CC[NH+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(F)cc2C(=O)OC)C1 to have a higher MR value.,CC(=O)c1ccc(S(=O)(=O)NC2CC([NH+](CC)CC(=O)[O-])C2)c(C(=O)OC)c1
QED,Optimize the molecule O=C(CC(c1ccco1)N1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc(Cl)cc1 to have a lower QED value.,O=C(CC(c1ccco1)N1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc(C(=O)[OH])cc1
AtomNum,"The molecule has 20 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1cccc(CC(=O)NCCc2c[nH+]c(-c3ccccc3)[nH]2)c1
BondNum,"The molecule has 17 single bonds, 3 double bonds, 5 rotatable bonds, and 15 aromatic bonds.",COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)C3c3cccs3)oc12
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 ketone group, and 2 amine groups.",COc1cc(C2C=C3Nc4ccccc4NC(c4ccc(N(C)C)cc4)C3C(=O)C2)cc(OC)c1OC
AddComponent,Modify the molecule Cc1ccc(S(C)(=O)=O)cc1C(=O)N(CC(=O)[O-])C(C)C by adding a benzene ring.,Cc1c(C(=O)N(CC(=O)[O-])C(C)C)cc(S(C)(=O)=O)cc1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a CCC(OC(=O)c1cc(-c2ccc(N3C(=O)C4C5C=C(C)C(C5)C4C3=O)cc2)nc2c(Cl)cccc12)C(=O)c1ccccc1 with a aldehyde.,CC(=O)c1cccc2c(C(=O)OC(CC)C(=O)c3ccccc3)cc(-c3ccc(N4C(=O)C5C6C=C(C)C(C6)C5C4=O)cc3)nc12
DelComponent,Please remove a hydroxyl from the molecule OCc1cccc2[nH]c(=S)sc12.,Cc1cccc2[nH]c(=S)sc12
LogP,Please optimize the molecule CC(C1CCCC1S)[NH+](C)C to have a lower LogP value.,CC(C1CCCC1C(=O)[OH])[NH+](C)C
MR,Optimize the molecule NC(=O)C(c1nccc(C(F)(F)F)n1)c1nc2ccc(S(=O)(=O)NCCC[NH+]3CCOCC3)cc2s1 to have a higher MR value.,NC(=O)C(c1nccc(C(F)(F)F)n1)c1nc2ccc(S(=O)(=O)NCCC[NH+]3CCOCC3N)cc2s1
QED,Modify the molecule O=C(NCCN1CCNC1=O)C(O)C(O)C(=O)N1Cc2ccccc2C1 to have a higher QED value.,O=C1NCCN1CCOC(O)C(=O)N1Cc2ccccc2C1
AtomNum,"The molecule is composed of 17 carbon atoms, and 3 nitrogen atoms.",CC[NH2+]C(CN1CC[NH+](CC)C(C)C1)c1ccccc1
BondNum,"Please generate a molecule with 5 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",OC(c1cccc(Br)c1)c1sccc1Cl
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 1 ester group, and 1 halo group.",CC1C(CI)OC(=O)C1(C)O
AddComponent,Add a benzene ring to the molecule CCCCCCCCCCCCC(C)COc1ccc(C(=O)[O-])o1.,CCC(CCCCCCCCCC(C)COc1ccc(C(=O)[O-])o1)c1ccccc1
SubComponent,Substitute a CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(=O)n(-c3ccc(F)c(F)c3)[nH]2)CC1 in the molecule halo with a hydroxyl.,CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(=O)n(-c3ccc(O)c(F)c3)[nH]2)CC1
DelComponent,Remove a halo from the molecule Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1.,Nc1ccc(Br)cc1-c1nc2ccccc2s1
LogP,Modify the molecule Cc1ccc(OCC(=O)Nc2ccc(-n3cnnc3)nc2)cc1 to have a higher LogP value.,Cc1ccc(Oc2ccc(-n3cnnc3)nc2)cc1
MR,Optimize the molecule COCCC1(CNC(CC(F)(F)F)c2ccccc2)CC1 to have a lower MR value.,COCCC1(CC(CC(F)(F)F)c2ccccc2)CC1
QED,Please modify the molecule CC(Br)C(=O)OCC1OC(n2ccc(N)nc2=O)C(F)(F)C1O to increase its QED value.,CC(O)C(=O)OCC1OC(n2ccc(N)nc2=O)C(F)(F)C1O
AtomNum,"There is a molecule with 21 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CCNC(NCCCOCc1ccco1)=[NH+]Cc1coc(-c2ccccc2)n1
BondNum,"The molecule has 12 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",Cc1cc(NC(=O)N2CCN(c3ccccn3)CC2)nn1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 2 halo groups.",O=C(c1ccc(F)c(F)c1)N1CCCc2ncccc21
AddComponent,Please add a hydroxyl to the molecule COCCCOCCOCc1ccnc(N)c1.,COCCCOCC(O)OCc1ccnc(N)c1
SubComponent,Modify the molecule nitro by substituting a CC(C)CC1CCCC([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 with a halo.,CC(C)CC1CCCC([NH2+]Cc2cccc(I=O)c2)C1
DelComponent,Please remove a amide from the molecule CC1C[NH+](CC(=O)NCC2CCCO2)CC1C(=O)[O-].,CC1C[NH+](CC2CCCO2)CC1C(=O)[O-]
LogP,Optimize the molecule CC1(C)CN(C(=O)NCCC2(O)CCC2)C2COCC21 to have a higher LogP value.,CC1(C)CN(C(=O)NCCC2(C#N)CCC2)C2COCC21
MR,Please modify the molecule C=CCOc1ccc(NCC(=O)Nc2ccc(Cl)cc2Cl)cc1 to decrease its MR value.,C=CCOc1ccc(NCC(=O)Nc2ccc(Cl)cc2)cc1
QED,Please modify the molecule CNc1nnc(C(=O)[O-])cc1-c1ccccn1 to decrease its QED value.,CNc1nnc(C(=O)[O-])cc1-c1cccc(O)n1
AtomNum,"Please generate a molecule with 11 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",O=C(CC[NH2+]C1CC1)NCC(O)C1CC1
BondNum,"There is a molecule consisting of 17 single bonds, 2 double bonds, and 5 rotatable bonds.",CC(CC=C(C(=O)[O-])C(C)(C)C)O[Si](C)(C)C(C)(C)C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amide groups, and 2 halo groups.",COCC(C)(CC(=O)[O-])NC(=O)C1CC(=O)N(c2ccc(Cl)c(F)c2)C1
AddComponent,Please add a benzene ring to the molecule [NH3+]C1CC(Nc2ccc(I)cc2)c2ccccc21.,[NH3+]C1(c2ccccc2)CC(Nc2ccc(I)cc2)c2ccccc21
SubComponent,Substitute a hydroxyl in the molecule Cc1nc(CCNC(=O)c2cccc(O)c2)no1 with a halo.,Cc1nc(CCNC(=O)c2cccc(F)c2)no1
DelComponent,Modify the molecule COC(=O)CC1(OC)CCCC1O by removing a hydroxyl.,COC(=O)CC1(OC)CCCC1
LogP,Modify the molecule C=S(C)(=O)NC1CC[NH+](C)C1 to increase its LogP value.,C=S(C)(=O)C1CC[NH+](C)C1
MR,Modify the molecule CC(=O)Nc1cc(C#Cc2nccc(C)c2[N+](=O)[O-])ccn1 to have a lower MR value.,Cc1ccnc(C#Cc2ccncc2)c1[N+](=O)[O-]
QED,Modify the molecule O=c1c2cc(Br)ccc2n(Cc2cn(Cc3ccc(F)c(F)c3)nn2)c(=O)n1O to have a higher QED value.,O=c1c2cc(O)ccc2n(Cc2cn(Cc3ccc(F)c(F)c3)nn2)c(=O)n1O
AtomNum,"The molecule consists of 42 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 4 fluorine atoms.",Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2ccc(F)c(NC(=O)Cc3ccc(F)cc3)c2)CC1
BondNum,"There is a molecule with 17 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CC1(C)C2CCC1(C)C(NC(=O)c1ccnc(Nc3ccc(N)cc3)n1)C2
FunctionalGroup,"The molecule contains 2 thioether groups, and 1 sulfide group.",CSC1CCCC1NC(=O)NC1CCCCC1C(=O)[O-]
AddComponent,Modify the molecule CC(CCc1ccco1)[NH2+]C1CC(c2ccccc2Br)C1 by adding a amine.,CC(CCc1ccco1)[NH2+]C1CC(c2ccccc2Br)C1N
SubComponent,Please substitute a halo in the molecule COc1cc(C[NH3+])ccc1OCCF with a aldehyde.,CC(=O)CCOc1ccc(C[NH3+])cc1OC
DelComponent,Remove a benzene ring from the molecule CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(OCC)c1.,CCOc1ccc(C=C2C(=O)NC(=S)N(Cl)C2=O)c(OCC)c1
LogP,Please modify the molecule COc1cc(C)c(S(=O)(=O)N2CCNC(=O)C2C)cc1C to decrease its LogP value.,COc1cc(CO)c(S(=O)(=O)N2CCNC(=O)C2C)cc1C
MR,Modify the molecule [NH3+]C1CC(Nc2ncnc3nc[nH]c23)C1 to have a lower MR value.,[NH3+]C1CC(c2ncnc3nc[nH]c23)C1
QED,Please modify the molecule CONC(C)=CC(=O)c1ccccc1 to decrease its QED value.,CONC(C)=CC=O
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC=CCC[NH2+]CCOc1ccc(C(=O)[O-])cc1
BondNum,"The molecule is composed of 13 single bonds, 3 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(SCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, and 3 halo groups.",Cn1cccc1C(=O)N1CC[NH+](CC(OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1
AddComponent,Modify the molecule CC1=CCCC(CO[Si](C)(C)C)(CO[Si](C(C)C)(C(C)C)C(C)C)C1Sc1ccccc1 by adding a carboxyl.,CC1=CCCC(CO[Si](C)(C)C)(CO[Si](C(C)C)(C(C)C)C(C)C)C1Sc1cccc(C(=O)O)c1
SubComponent,Modify the molecule halo by substituting a CC[NH+](CCNC(NCc1ccc(F)c(C)c1)=[NH+]C)C(C)C with a hydroxyl.,CC[NH+](CCNC(NCc1ccc(O)c(C)c1)=[NH+]C)C(C)C
DelComponent,Modify the molecule amine by removing a COc1ccc(CCc2nc(N)n[nH]2)cc1OC.,COc1ccc(CCc2ncn[nH]2)cc1OC
LogP,Modify the molecule C[NH2+]C(CSc1ccccc1Cl)Cc1cnn(C)c1 to have a lower LogP value.,C[NH2+]C(CSc1ccccc1C(=O)[OH])Cc1cnn(C)c1
MR,Optimize the molecule CCCN1C(=O)C2CC=C3C(CC4(Cl)C(=O)N(c5ccc(F)cc5)C(=O)C4(Cl)C3c3cc(OC)c(O)c(Br)c3Br)C2C1=O to have a higher MR value.,CC(=O)C12CC3C(=CCC4C(=O)N(CCC)C(=O)C43)C(c3cc(OC)c(O)c(Br)c3Br)C1(Cl)C(=O)N(c1ccc(F)cc1)C2=O
QED,Modify the molecule NC(=[NH2+])C1CCC[NH+](Cc2c(F)cccc2Cl)C1 to decrease its QED value.,NC(=[NH2+])C1CCC[NH+](Cc2ccccc2F)C1
AtomNum,"The molecule contains 23 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",CCCCC=CCOc1ccc(C(=O)Nc2cccc3c2OC(c2nn[n-]n2)CO3)cc1
BondNum,"Please generate a molecule consisting 15 single bonds, 1 double bond, 7 rotatable bonds, and 18 aromatic bonds.",CC(NC(=O)C1CCCCC1c1ccc(OCc2ccccn2)cc1)c1ccccc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ketone group, and 2 amide groups.",CCC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OCC(C)C)cc1)C(=O)CO2
AddComponent,Modify the molecule C[NH2+]C(CCc1[nH+]ccn1C)Cn1cnc2ccccc21 by adding a amine.,C[NH2+]C(CCc1[nH+]ccn1C)Cn1cnc2ccc(N)cc21
SubComponent,Substitute a O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1ccc(F)c(F)c1 in the molecule halo with a nitrile.,N#Cc1ccc(Cn2cccc(C(=O)NNC(=O)c3ccc(F)c(F)c3)c2=O)cc1
DelComponent,Please remove a benzene ring from the molecule C[NH2+]C(C(=O)Nc1ccc(NC(=O)C[NH+]2CCOCC2)cc1)c1cnn(C)c1.,C[NH2+]C(C(=O)NNC(=O)C[NH+]1CCOCC1)c1cnn(C)c1
LogP,Optimize the molecule CCC[NH2+]C1CCc2cc(-c3cncc(F)c3)ccc21 to have a higher LogP value.,CC(=O)c1cncc(-c2ccc3c(c2)CCC3[NH2+]CCC)c1
MR,Modify the molecule O=C(C=Cc1ccc(I)o1)N1CCN(C(=O)C2CCCO2)CC1 to have a lower MR value.,O=C(C1CCCO1)N1CCC(Cc2ccc(I)o2)C1
QED,Please modify the molecule CCNC(=O)C1[NH2+]CC(F)C(CCC(O)c2ccccc2)C1CCC(O)c1ccccc1 to increase its QED value.,CCNC(=O)C1[NH2+]CC(F)C(CCC(O)c2ccccc2)C1CCCc1ccccc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 1 chlorine atom, and 1 bromine atom.",Cc1cc(Br)c(S(=O)(=O)NC2CCCCC2C)cc1Cl
BondNum,"The molecule has 8 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",COC(=O)Nc1cccc(NC(=O)c2ccc(I)cc2)c1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 halo group.",CC[NH+]1CCCC(CNC(=O)CCCl)C1
AddComponent,Please add a benzene ring to the molecule CNC(=O)C1CCCC1NC(=O)N1CCC2(CNC(=O)C2)C1.,CNC(=O)C1C(NC(=O)N2CCC3(CNC(=O)C3)C2)CCC1c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule CCC(O)c1ccc2c(c1)OCC2 with a carboxyl.,CCC(C(=O)[OH])c1ccc2c(c1)OCC2
DelComponent,Please remove a halo from the molecule Cc1ccc(C(=O)NC(C)(C)CCBr)cc1.,CCC(C)(C)NC(=O)c1ccc(C)cc1
LogP,Please modify the molecule CN(C)C(=S)NCCc1c[nH]c2ccccc12 to increase its LogP value.,CN(C)C(=S)CCc1c[nH]c2ccccc12
MR,Optimize the molecule CC1(O)CCCN(C(=O)c2ccoc2Br)C1 to have a lower MR value.,CC1(O)CCCN(C(=O)c2ccoc2)C1
QED,Optimize the molecule OC1=CN(c2cccc(-c3ccnc4[nH]ccc34)n2)CC1 to have a lower QED value.,OC1=CN(c2cc(-c3ccccc3)cc(-c3ccnc4[nH]ccc34)n2)CC1
AtomNum,"There is a molecule with 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCCN(CC1CC1)C(=O)CCC(CC[NH3+])C(C)C
BondNum,"Please generate a molecule with 8 single bonds, 3 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",O=C1[N-]C(=O)C(=CC(c2ccccc2)c2ccccc2)S1
FunctionalGroup,Please generate a molecule consisting and 2 ketone groups.,CCc1cccc(C2C(=O)c3ccccc3C2=O)n1
AddComponent,Please add a benzene ring to the molecule CCCCCCCCCCC1CC(C2=NN(c3ccccc3)C(c3cccc([N+](=O)[O-])c3)C2)=NO1.,CC(CCCCCCCCC1CC(C2=NN(c3ccccc3)C(c3cccc([N+](=O)[O-])c3)C2)=NO1)c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a O=S1(=O)CCCC(Cc2nc(CO)co2)C1 with a halo.,O=S1(=O)CCCC(Cc2nc(CF)co2)C1
DelComponent,Remove a Cc1ncc(-c2c(C)c(C[NH2+]C3CCC(F)C3)nn2-c2ncccc2Cl)cc1F from the molecule halo.,Cc1ccc(-c2c(C)c(C[NH2+]C3CCC(F)C3)nn2-c2ncccc2Cl)cn1
LogP,Optimize the molecule Cc1[nH+]cc(C[NH2+]C2CCCN(O)C2=O)n1-c1ccccc1 to have a higher LogP value.,Cc1[nH+]cc(C[NH2+]OC2CC2)n1-c1ccccc1
MR,Please optimize the molecule C=C(N=C(C)N[NH2+]C(C)C(=C)C=CC(=CC)C(F)(F)F)C(=C)C([NH2+]C)C1CC1 to have a lower MR value.,C=C(N=C(C)[NH2+]C(C)C(=C)C=CC(=CC)C(F)(F)F)C(=C)C([NH2+]C)C1CC1
QED,Modify the molecule CC(NC(N)=S)C(C)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1 to have a lower QED value.,CC(NC(N)=S)C(C)C(=O)N1CCC(S)(c2ccc(Cl)cc2)C(C)(C)C1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",CC(CNC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1
BondNum,"Please generate a molecule consisting 3 single bonds, 3 rotatable bonds, and 57 aromatic bonds.",c1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccc6c7ccccc7c7cccc8ccc5c6c87)cc4c3)c3ccccc23)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",CCOC(=O)[NH+]=C(N)c1ccc(CNC(=O)C(OC)c2ccc(OC)cc2F)cc1
AddComponent,Modify the molecule C[NH+]1CCC(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 by adding a carboxyl.,C[NH+]1CCC(NC(=O)NCC2(C[NH+]3CCOCC3)CCCC(C(=O)O)C2)CC1
SubComponent,Please substitute a nitrile in the molecule CCCC(C#N)(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 with a thiol.,CCCC(S)(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
DelComponent,Modify the molecule halo by removing a CCc1nc2sc(C)nn2c1S(=O)(=O)Nc1ccccc1Cl.,CCc1nc2sc(C)nn2c1S(=O)(=O)Nc1ccccc1
LogP,Modify the molecule CCC(C)NC(=O)c1cc(Cl)ccc1NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)NC(C)C)c2)CC1)C(C)C to have a lower LogP value.,CCC(C)NC(=O)c1cc(Cl)ccc1NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)NC(C)C)c2)CC1O)C(C)C
MR,Optimize the molecule Cc1ccc(C(=O)NC2CCCC2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2cc(NC(=O)c3ccccc3F)ccc2F)CC1 to have a higher MR value.,Cc1ccc(C(=O)NC2CCCC2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2cc(NC(=O)c3ccccc3C(=O)[OH])ccc2F)CC1
QED,Modify the molecule COCC(O)CN(C)c1cc(C#N)c2ccccc2n1 to have a lower QED value.,COCC(O)(CN(C)c1cc(C#N)c2ccccc2n1)c1ccccc1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc2nc(SCCOc3cccc(Cl)c3)[nH]c2c1
BondNum,"The molecule is composed of 12 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",CC1CCc2c(cnn2C)C1[NH2+]C1CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 3 halo groups.",CCN(CC1CCCCO1)C(=O)NCc1cc(F)c(F)cc1F
AddComponent,Modify the molecule CCCCCCCCCCOC(=O)C(CCCCCCCCC[NH3+])C(=O)[O-] by adding a benzene ring.,CCCCCCCCCCOC(=O)C(CCC(CCCCCC[NH3+])c1ccccc1)C(=O)[O-]
SubComponent,Please substitute a CC(=O)NCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(Cl)c(C)c12 in the molecule halo with a carboxyl.,CC(=O)NCC(C)Oc1cc(C(=O)[OH])ccc1Nc1ncnc2sc(Cl)c(C)c12
DelComponent,Remove a benzene ring from the molecule [NH3+]CC(c1cccc(F)c1)N1CCC2(CC1)OCCO2.,[NH3+]CC(F)N1CCC2(CC1)OCCO2
LogP,Modify the molecule COc1ccc(C(C)=O)cc1CC(=O)N1CCN(c2nccs2)CC1 to have a higher LogP value.,COc1ccc(C(C)=O)cc1CC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1
MR,Please optimize the molecule O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(F)cccc1C(F)(F)F to have a higher MR value.,O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1C(F)(F)F
QED,Please modify the molecule CCCCC[NH2+]C(c1ccc(CC)cc1)C(C)C to decrease its QED value.,CCCCC[NH2+]C(CC)C(C)C
AtomNum,"There is a molecule with 8 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1noc(CCNc2nc(Cl)cs2)n1
BondNum,"There is a molecule consisting of 10 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",COC(=O)c1cc(C(C)C)ccc1NCc1cc(=O)n2nc(C)sc2n1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 sulfone group.",Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1C
AddComponent,Add a hydroxyl to the molecule O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCCc1ccccc1.,O=C(CCn1ccc2c(O)c(S(=O)(=O)N3CCCCC3)ccc21)NCCCc1ccccc1
SubComponent,Substitute a nitrile in the molecule Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc(Cn3cc(C#N)ccc3=O)cc2)c1 with a hydroxyl.,Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc(Cn3cc(O)ccc3=O)cc2)c1
DelComponent,Remove a halo from the molecule Cc1nccn1Cc1cncc(F)c1.,Cc1nccn1Cc1cccnc1
LogP,Modify the molecule CC(C)(Br)C1OCC2(CO1)COC(C(C)(C)Br)OC2 to have a lower LogP value.,CC(C)(Br)C1OCC2(CO1)COC(C(C)(C)Br)OC2O
MR,Optimize the molecule COc1ccc(C(OCC2CC(O)CN2C(=O)CCCCCCCCCCC(=O)NC(COCCC(=O)NCCOCCOCCOC2OC(COC(C)=O)CC(O)C2[NH3+])(COCCC(=O)NCCOCCOCCOC2OC(COC(C)=O)CC(O)C2[NH3+])COCCC(=O)NCCOCCOCCOC2OC(COC(C)=O)C(O)C(O)C2[NH3+])(c2ccccc2)c2ccc(OC)cc2)cc1 to have a higher MR value.,COc1ccc(C(OCC2CC(C#N)CN2C(=O)CCCCCCCCCCC(=O)NC(COCCC(=O)NCCOCCOCCOC2OC(COC(C)=O)CC(O)C2[NH3+])(COCCC(=O)NCCOCCOCCOC2OC(COC(C)=O)CC(O)C2[NH3+])COCCC(=O)NCCOCCOCCOC2OC(COC(C)=O)C(O)C(O)C2[NH3+])(c2ccccc2)c2ccc(OC)cc2)cc1
QED,Modify the molecule CCN(CC)c1ccc(C[NH2+]CCN(C)C)cc1 to have a lower QED value.,CCN(CC)c1ccc(C[NH2+]CCN(C)C)c(O)c1
AtomNum,"The molecule has 14 carbon atoms, and 1 nitrogen atom.",CCCC([NH2+]C1CC1C)c1ccccc1
BondNum,"Please generate a molecule composed of 16 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NC1CCCCCC1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 sulfide group, and 1 sulfone group.",CCc1ccc(S(=O)(=O)N(C)CCc2cc(OC)c(OC)c(OC)c2)s1
AddComponent,Modify the molecule CC(C)C1CC(Nc2ccc(F)c(Cl)c2)C1 by adding a benzene ring.,CC(C)C1CC(Nc2ccc(F)c(Cl)c2)C1c1ccccc1
SubComponent,Please substitute a O=C(COC(=O)C=Cc1ccccc1Cl)NCCSc1ccccc1 in the molecule halo with a carboxyl.,O=C(COC(=O)C=Cc1ccccc1C(=O)[OH])NCCSc1ccccc1
DelComponent,Remove a SC=CC[NH+]1CCCCC1 from the molecule thiol.,C=CC[NH+]1CCCCC1
LogP,Please modify the molecule Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 to increase its LogP value.,Cc1ccccc1CS(=O)(=O)N1CCC(C23CC4CC(CC(C4)C2)C3)C1
MR,Modify the molecule Cc1cc(C)c(OCCSC(F)(F)F)c(S(=O)(=O)Cl)c1 to decrease its MR value.,Cc1cc(C)c(OCCSC(F)F)c(S(=O)(=O)Cl)c1
QED,Please modify the molecule CC(C)C(C[NH3+])C(=O)Cc1cccc(Br)c1 to decrease its QED value.,CC(C)(O)C(C[NH3+])C(=O)Cc1cccc(Br)c1
AtomNum,"The molecule contains 23 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",Nc1ccc(-c2cccc(-c3ccc(N)cc3)c2Sc2cc[o+]cc2)cc1
BondNum,"The molecule is composed of 25 single bonds, 1 double bond, 1 triple bond, 14 rotatable bonds, and 12 aromatic bonds.",CCCC(C)OC(=O)CCc1ccc(C#N)c(OCC(O)C[NH+](C)C(C)CC2Cc3ccccc3C2)c1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 2 amide groups, 1 halo group, and 1 sulfoxide group.",Cc1ccc(NC(=O)CS(=O)C(C)C(=O)Nc2ccc(Cl)cc2)cc1
AddComponent,Modify the molecule Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(OCc2ccccc2)cc1 by adding a benzene ring.,Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(OCc2ccccc2)c(-c2ccccc2)c1
SubComponent,Please substitute a NC(N)=[NH+]CCCC(NC(=O)C1(C(=O)NCc2ccccc2)CC1)B(O)O in the molecule hydroxyl with a aldehyde.,CC(=O)B(O)C(CCC[NH+]=C(N)N)NC(=O)C1(C(=O)NCc2ccccc2)CC1
DelComponent,Modify the molecule O=S(=O)(c1ccc2c(c1)CCC2)N1CC(O)C(O)C1 by removing a hydroxyl.,O=S(=O)(c1ccc2c(c1)CCC2)N1CCC(O)C1
LogP,Modify the molecule O=C(NC1CCCCC1O)c1cc(Cc2ccc(-c3ccsc3)nc2)c2ccccc2n1 to have a higher LogP value.,CC(=O)C1CCCCC1NC(=O)c1cc(Cc2ccc(-c3ccsc3)nc2)c2ccccc2n1
MR,Please optimize the molecule CCC1C[NH+](Cc2ccc(OC)cc2OC)CC(=O)N1c1ccc(Cl)cc1 to have a higher MR value.,CCC1C[NH+](Cc2ccc(OC)cc2OCO)CC(=O)N1c1ccc(Cl)cc1
QED,Optimize the molecule CCN(CC)c1nccn2nc(-c3ccc(F)cc3)c(C=O)c12 to have a lower QED value.,CCN(CC)c1nccn2nc(-c3ccc(F)c(S)c3)c(C=O)c12
AtomNum,"There is a molecule with 21 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC1CCCC(NC(=O)C[NH+]2CCC(CN3CCCCC3=O)CC2)C1C
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",COc1cccc(C(N)CS(=O)C2CCCCC2)c1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, and 1 halo group.",Cc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O
AddComponent,Modify the molecule O=C([O-])CCN(C(=O)c1ccccc1OC(F)F)C1CC1 by adding a hydroxyl.,O=C([O-])CCN(C(=O)c1cc(O)ccc1OC(F)F)C1CC1
SubComponent,Modify the molecule halo by substituting a CCN1c2ccccc2C(=O)C(C)(c2n[nH]c(C)n2)C1c1ccc(F)cc1 with a hydroxyl.,CCN1c2ccccc2C(=O)C(C)(c2n[nH]c(C)n2)C1c1ccc(O)cc1
DelComponent,Modify the molecule amine by removing a Fc1ccccc1CNN1CCCCC1.,Fc1ccccc1CN1CCCCC1
LogP,Modify the molecule O=C(NCCS(=O)(=O)NCc1ccccc1)C1COc2ccccc2C1 to have a higher LogP value.,O=C(NCCS(=O)(=O)Cc1ccccc1)C1COc2ccccc2C1
MR,Please optimize the molecule Cc1ccc(C=CC(=O)c2ccccn2)c(C)c1 to have a lower MR value.,CCC=CC(=O)c1ccccn1
QED,Please optimize the molecule O=C(NC1CCCCC1)c1ccc(C#CCCO)cn1 to have a higher QED value.,CCC#Cc1ccc(C(=O)NC2CCCCC2)nc1
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1ccc(NC(=O)c2cncnc2)cc1C(=O)N1CCOCC1
BondNum,"Please generate a molecule with 13 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",Nc1cc(F)c(S(=O)(=O)N2CCC(CCO)C2)c(F)c1
FunctionalGroup,There is a molecule composed of and 1 ester group.,CCOC(=O)C1CN(C)c2ccc(C)cc2O1
AddComponent,Add a amine to the molecule O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccccn1.,NC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccn1
SubComponent,Modify the molecule halo by substituting a CCCSc1nc(Br)c2nnn(C3CC(OCC)C4OC(C)(C)OC43)c2n1 with a hydroxyl.,CCCSc1nc(O)c2nnn(C3CC(OCC)C4OC(C)(C)OC43)c2n1
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(Cn2nc(-c3cccc(Br)c3)c(Cl)c2-c2cccc(Br)c2)c1.,Cc1cccc(Cn2nc(-c3cccc(Br)c3)c(Cl)c2Br)c1
LogP,Modify the molecule CCCCCCCCC(C)C(O)C(SC=S)=c1sc(=Cc2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(=O)n1CC(=O)[O-] to increase its LogP value.,CCCCCCCCC(C)C(O)C(SC=S)=c1sc(=Cc2cc3c(cc2S)N(c2ccc(C=C(c4ccccc4)c4ccccc4)cc2)C2CCCC32)c(=O)n1CC(=O)[O-]
MR,Optimize the molecule CCC1=C(c2ccc(C)cc2)C(CC)N(c2ccc(C)cc2)C=C1C to have a higher MR value.,CCC1=C(c2ccc(C)c(O)c2)C(CC)N(c2ccc(C)cc2)C=C1C
QED,Please optimize the molecule O=C(NC1CCCC1)c1nc(C(=O)NCc2ccccn2)n2c1CCCC2 to have a lower QED value.,O=C(NC1CCC(O)C1)c1nc(C(=O)NCc2ccccn2)n2c1CCCC2
AtomNum,"The molecule has 13 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1ccc(C)c(C2(CC#N)COC2)c1
BondNum,"The molecule has 3 single bonds, 1 double bond, 1 rotatable bond, and 10 aromatic bonds.",Cn1nc2ccccc2c1C(=O)Cl
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 2 halo groups.",CC(C)(CC(=O)[O-])CC(=O)Nc1cc(F)ccc1F
AddComponent,Modify the molecule CCSCC([NH3+])Cc1ccc(Br)s1 by adding a hydroxyl.,[NH3+]C(CSCCO)Cc1ccc(Br)s1
SubComponent,Please substitute a CC(C)(C)OC(=O)NC(CC(O)CC=CC(=O)c1ccccc1)c1ccccc1 in the molecule hydroxyl with a halo.,CC(C)(C)OC(=O)NC(CC(I)CC=CC(=O)c1ccccc1)c1ccccc1
DelComponent,Please remove a amine from the molecule CC(=O)c1cc(N)ccc1-c1ccccc1N.,CC(=O)c1cc(N)ccc1-c1ccccc1
LogP,Optimize the molecule C=COC(=O)C(C)(CC)CO to have a higher LogP value.,C=COC(=O)C(C)(CC)CC#N
MR,Modify the molecule N#Cc1ncccc1NCC[NH2+]C1CC1 to have a lower MR value.,N#Cc1ncccc1CC[NH2+]C1CC1
QED,Modify the molecule CC1(C(=O)[O-])CC(N2CCCOc3cc(F)c(F)cc32)CN1C(=O)C(c1ccccc1)c1ccccc1 to increase its QED value.,CC1(C(=O)[O-])CC(N2CCCOc3ccc(F)cc32)CN1C(=O)C(c1ccccc1)c1ccccc1
AtomNum,"There is a molecule consisting of 11 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCNS(=O)(=O)c1ccccc1C(C#N)CCl
BondNum,"The molecule consists of 7 single bonds, 2 triple bonds, 4 rotatable bonds, and 6 aromatic bonds.",N#CCC(CC#N)Sc1ccc(Cl)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 hydroxyl group, 2 amide groups, 1 amine group, and 1 nitrile group.",N#Cc1ccc(CONC(=O)c2ccccc2NCc2ccnc(NC(=O)CO)c2)cc1
AddComponent,Modify the molecule Nc1ccc2oc(C(=O)NCC3(CO)CCCC3)cc2c1 by adding a benzene ring.,Nc1ccc2oc(C(=O)NCC3(CO)CCCC3)cc2c1-c1ccccc1
SubComponent,Modify the molecule nitrile by substituting a CC[N+](CC)(CC)CCCCCCCCCCOc1ccc(N=Nc2ccc(C#N)cc2)cc1 with a thiol.,CC[N+](CC)(CC)CCCCCCCCCCOc1ccc(N=Nc2ccc(S)cc2)cc1
DelComponent,Remove a C[NH+]1CCC=C(c2[nH]ncc2C=Cc2cccc(F)c2)C1 from the molecule benzene ring.,C[NH+]1CCC=C(c2[nH]ncc2C=CF)C1
LogP,Please modify the molecule NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Br)n2-c2ccc(C3CCC3)c3ccccc23)c(Cl)c1 to decrease its LogP value.,NC1CCC1c1ccc(-n2c(Br)nnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c2ccccc12
MR,Modify the molecule C=CC(c1ccccc1)c1ccc(C(C)(C)C)cc1 to have a higher MR value.,C=CC(c1ccccc1)c1ccc(C(C)(C)C)c(O)c1
QED,Modify the molecule CC(=O)CC[NH+](CCNP)Cc1ccccc1 to decrease its QED value.,CC(=O)CC[NH+](C)CCNP
AtomNum,"The molecule consists of 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 bromine atom.",CC(C)N(CCCBr)c1nccc2ccc(O)cc12
BondNum,"There is a molecule composed of 25 single bonds, 4 double bonds, and 16 rotatable bonds.",COCC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)CC(SC)C1=O
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 ester group.",[NH3+]C(C(=O)Oc1cc(=O)oc2cc(OCC(=O)[O-])ccc12)C(OCc1ccccc1)C(=O)[O-]
AddComponent,Modify the molecule Cc1cc(=O)n2c(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)c(C(=O)Nc3ccccc3)sc2n1 by adding a benzene ring.,Cc1cc(=O)n2c(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)c(C(=O)Nc3cccc(-c4ccccc4)c3)sc2n1
SubComponent,Modify the molecule halo by substituting a O=S(=O)(c1ccccc1F)N1CC[NH+](Cn2nc(-c3ccccc3Cl)oc2=S)CC1 with a carboxyl.,O=C([OH])c1ccccc1S(=O)(=O)N1CC[NH+](Cn2nc(-c3ccccc3Cl)oc2=S)CC1
DelComponent,Modify the molecule CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)c2ccccc2OCC)n(C)c(=O)n3C)CC1 by removing a benzene ring.,CCOC(=O)Nc1cc2c(cc1N1CCC(C(=O)OCC)CC1)n(C)c(=O)n2C
LogP,Please optimize the molecule CCOCCN(C)c1cc(C)c(C#N)c2nc3ccccc3n12 to have a higher LogP value.,CCOCCN(C)c1cc(C)c(I)c2nc3ccccc3n12
MR,Modify the molecule C#CC(O)C1CN(c2ccc(N3CCN(c4nc5c(cc4F)c(=O)c(OC(=O)CC)cn5-c4ccc(F)cc4F)CC3)c(F)c2)C(=O)O1 to have a higher MR value.,C#CC(C(=O)[OH])C1CN(c2ccc(N3CCN(c4nc5c(cc4F)c(=O)c(OC(=O)CC)cn5-c4ccc(F)cc4F)CC3)c(F)c2)C(=O)O1
QED,Modify the molecule CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NCC2(c3cccc(F)c3)CCOCC2)cc1 to increase its QED value.,CC(C)(C)c1ccc(S(=O)(=O)NCCC2(c3cccc(F)c3)CCOCC2)cc1
AtomNum,"There is a molecule composed of 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",COc1cccc(C(=O)NCCNC(=O)c2ccccc2Br)c1
BondNum,"Please generate a molecule composed of 17 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(NC(=O)C2CC3CCCCC3[NH2+]2)cc1NC(=O)c1ccncc1
FunctionalGroup,There is a molecule with and 1 amide group.,CNC(=O)N1CC2N(c3ncccn3)CCCC2(C(=O)NCC2CC2)C1
AddComponent,Modify the molecule Cc1cccc(-c2cnc(CCC[NH2+]C3CC3)o2)c1Cl by adding a hydroxyl.,Cc1ccc(O)c(-c2cnc(CCC[NH2+]C3CC3)o2)c1Cl
SubComponent,Please substitute a halo in the molecule Clc1ccccc1-n1c(SCC[NH+]2CCCCC2)nnc1N1CCCC1 with a nitrile.,N#Cc1ccccc1-n1c(SCC[NH+]2CCCCC2)nnc1N1CCCC1
DelComponent,Please remove a halo from the molecule C[NH2+]C(COc1cccc(Cl)c1)CC1Cc2ccccc21.,C[NH2+]C(COc1ccccc1)CC1Cc2ccccc21
LogP,Please optimize the molecule CCN(CCCBr)S(=O)(=O)c1ccc(F)cc1 to have a higher LogP value.,CCN(CCCBr)S(=O)(=O)c1ccc(F)cc1-c1ccccc1
MR,Optimize the molecule CN(Cc1ccsc1)C(=O)COC(=O)C=Cc1cc(Cl)c2c(c1)OCCO2 to have a lower MR value.,CC(OC(=O)C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccsc1
QED,Please optimize the molecule O=c1cc(CCC2CCC2)c2c(=O)[nH]c(CF)nc2o1 to have a lower QED value.,ONCc1nc2oc(=O)cc(CCC3CCC3)c2c(=O)[nH]1
AtomNum,"The molecule contains 15 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",CCC=CC(=O)OCC(=O)N(C)Cc1ccccc1F
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, and 5 rotatable bonds.",C=C(C[NH3+])C[NH+]1CCCCC1C(=O)OCC
FunctionalGroup,"The molecule has 3 benzene ring groups, 4 amide groups, and 2 halo groups.",Cc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)NC(C)C(=O)NCc4ccc(F)cc4)CC3)c(C)c2)cc1F
AddComponent,Add a amine to the molecule CC(C)OCCCNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1.,CC(C)OCCCNC(=O)C1CC[NH+](CC(=O)Nc2cccc(N)c2S(=O)(=O)C(F)F)CC1
SubComponent,Please substitute a hydroxyl in the molecule COC(=O)C=C(O)c1ccc(OC)cc1 with a nitrile.,COC(=O)C=C(C#N)c1ccc(OC)cc1
DelComponent,Please remove a amine from the molecule CCOC(=O)c1c[nH]c(N)[n+]1C.,CCOC(=O)c1c[nH]c[n+]1C
LogP,Please optimize the molecule CCC1CC(Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CCN1C(=O)OC1CCCC1 to have a lower LogP value.,CCC1CC(Oc2ccn(S(C)(=O)=O)c(=O)c2)CCN1C(=O)OC1CCCC1
MR,Please modify the molecule CC(C)(C)N(C(=O)[O-])c1ccccc1NC(=O)c1ccc(COc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1 to decrease its MR value.,CC(C)(C)N(C(=O)[O-])c1ccccc1NC(=O)c1ccc(COc2ccc3ncnc(Nc4ccccc4)c3c2)cc1
QED,Please modify the molecule CCCCCCO[P+](=O)OCC(O)[N+](C)(C)C to decrease its QED value.,CCCCCCO[P+](=O)OCC(S)[N+](C)(C)C
AtomNum,"Please generate a molecule composed of 18 carbon atoms, and 3 nitrogen atoms.",CC[NH2+]C(Cc1ccc(C(C)(C)C)cc1)c1cnn(C)c1
BondNum,"The molecule contains 19 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(=O)NCC1CN(c2ccc(C3CCCOC[NH2+]3)c(F)c2)C(=O)O1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, and 1 nitrile group.",N#CCCN(C(=S)NC(=O)c1ccccc1)c1ccccc1
AddComponent,Add a benzene ring to the molecule Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1.,Cc1cc(C)c(-c2ccccc2)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
SubComponent,Modify the molecule hydroxyl by substituting a CSCCC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C([NH3+])C(C)O)C(=O)NC(CS)C(=O)[O-] with a carboxyl.,CSCCC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C([NH3+])C(C)C(=O)[OH])C(=O)NC(CS)C(=O)[O-]
DelComponent,Remove a amide from the molecule NC(=O)C1CCc2cc(Cl)ccc2N1.,Clc1ccc2c(c1)CCN2
LogP,Please modify the molecule CC(C)(C)c1cn2c([nH+]1)NCCC2c1cccc(F)c1 to decrease its LogP value.,CC(C)(C)c1cn2c([nH+]1)NCCC2c1cccc(O)c1
MR,Modify the molecule C[NH+]=C(NCc1ccc(Oc2cccnc2)c(F)c1)NCC(C)(C)SC to increase its MR value.,C[NH+]=C(NCc1ccc(Oc2cccnc2)c(S)c1)NCC(C)(C)SC
QED,Please optimize the molecule O=C(Cc1c(F)cccc1F)C1CCCC(C(F)(F)F)C1 to have a lower QED value.,O=C(Cc1c(F)ccc(-c2ccccc2)c1F)C1CCCC(C(F)(F)F)C1
AtomNum,"There is a molecule with 21 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 2 fluorine atoms, and 1 bromine atom.",Cc1ccc(-c2scc(CC(=O)c3nc4cccc(Br)c4o3)c2C(=O)[O-])c(F)c1F
BondNum,"The molecule contains 17 single bonds, 2 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CCC(C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1cccc(C)c1C
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 1 halo group.",O=C(NCc1ccc(F)cc1)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2
AddComponent,Add a hydroxyl to the molecule O=C(CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1S(=O)(=O)c1ccc(F)cc1)NC1CCCCC1O.,O=C(CC1CCc2c(ccc(C(O)(C(F)(F)F)C(F)(F)F)c2O)N1S(=O)(=O)c1ccc(F)cc1)NC1CCCCC1O
SubComponent,Modify the molecule CC(C)(CBr)CNC(=O)c1ccc(C(C)(C)C)cc1 by substituting a halo with a nitro.,CC(C)(CNO)CNC(=O)c1ccc(C(C)(C)C)cc1
DelComponent,Please remove a hydroxyl from the molecule CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(CO)c2)CC1.,CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C)c2)CC1
LogP,Modify the molecule [C-]#[N+]c1ccc(N(CCCCCCC)CCc2csc(SC(C)(C)C(=O)[O-])n2)cc1 to have a lower LogP value.,[C-]#[N+]c1ccc(N(CCCCCCC)CCc2csc(SC(C)(C)C(=O)[O-])n2)c(N)c1
MR,Optimize the molecule Cc1ccccc1CNC(=O)C(C)(C)CC(=O)[O-] to have a lower MR value.,CCNC(=O)C(C)(C)CC(=O)[O-]
QED,Please optimize the molecule COC(=O)c1cc(Nc2cc(Br)ccc2Cl)ccc1N to have a higher QED value.,COC(=O)c1cccc(Nc2cc(Br)ccc2Cl)c1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",Cc1ccc(C(=O)Nc2ccc(N)c(F)c2)cc1Br
BondNum,"There is a molecule with 16 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 18 aromatic bonds.",N#Cc1ccc(C2Cc3ccc(NC(=O)Nc4ccc(Br)cc4)cc3C(=O)N2CCC[NH3+])cc1
FunctionalGroup,"The molecule contains 1 hydroxyl group, and 1 amide group.",O=C(NCC1(O)CCCC1)C1C[NH2+]C1
AddComponent,Please add a hydroxyl to the molecule O=[N+]([O-])c1cc([Si](O)(c2ccc(Br)cc2)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Br.,O=[N+]([O-])c1cc([Si](O)(c2ccc(Br)c([N+](=O)[O-])c2)c2ccc(Br)cc2O)ccc1Br
SubComponent,Substitute a halo in the molecule COc1ccc(S(=O)(=O)N(CC(=O)NCc2cc(C)n(C)n2)c2cc(N(C)C)ccc2Cl)cc1OC with a carboxyl.,COc1ccc(S(=O)(=O)N(CC(=O)NCc2cc(C)n(C)n2)c2cc(N(C)C)ccc2C(=O)[OH])cc1OC
DelComponent,Modify the molecule CC(CO)C(C)NC(=O)c1ccc(COc2ccccc2C#N)o1 by removing a nitrile.,CC(CO)C(C)NC(=O)c1ccc(COc2ccccc2)o1
LogP,Please modify the molecule CCn1cc(Cl)cc1C(=O)NCc1cc(Br)cs1 to decrease its LogP value.,CCn1cccc1C(=O)NCc1cc(Br)cs1
MR,Please optimize the molecule CC1CC(C(=O)[O-])CN(C(=O)NC2CCN(c3ccccc3)C2)C1 to have a higher MR value.,CC1CC(C(=O)[O-])CN(C(=O)NC2(c3ccccc3)CCN(c3ccccc3)C2)C1
QED,Modify the molecule O=C(CCc1nc(-c2ccccn2)no1)NNC(=O)c1ccc(F)cc1 to have a lower QED value.,O=C(CCc1nc(-c2ccccn2)no1)NNC(=O)c1ccc(O)cc1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",N#CCc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1
BondNum,"Please generate a molecule with 25 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)OC(=O)N1CC[NH+](C2CCC(COc3ccc(S(C)(=O)=O)c(Cl)c3)CC2)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 1 amine group, and 1 nitrile group.",Cc1cc(O)c(C(C)(C)C)cc1C(N)C#N
AddComponent,Modify the molecule O=C([O-])CC1CCCN(c2cc(F)cc([N+](=O)[O-])c2)C1 by adding a carboxyl.,O=C([O-])CC1CCCN(c2cc([N+](=O)[O-])cc(F)c2C(=O)O)C1
SubComponent,Substitute a CC(C)(C)c1c(C(=O)[O-])nnn1Cc1cncc(F)c1 in the molecule halo with a thiol.,CC(C)(C)c1c(C(=O)[O-])nnn1Cc1cncc(S)c1
DelComponent,Modify the molecule halo by removing a CC[NH+]1CCC(COc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)OC(C)(C)C)c4)n3)cc2)CC1.,CC[NH+]1CCC(COc2ccc(Nc3nccc(Nc4cccc(NC(=O)OC(C)(C)C)c4)n3)cc2)CC1
LogP,Modify the molecule C#CC(C)Nc1nc(Cl)ncc1Br to have a higher LogP value.,C#CC(C)c1nc(Cl)ncc1Br
MR,Modify the molecule CC(OC(=O)c1cccnc1Sc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 to decrease its MR value.,CC(OC(=O)c1cccnc1S)C(=O)Nc1cccc(S(N)(=O)=O)c1
QED,Modify the molecule Nc1cc2c(cc1COCC1CCCCC1)OCCO2 to have a lower QED value.,Nc1cc2c(cc1COCC1CCCCC1O)OCCO2
AtomNum,"Please generate a molecule with 16 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCCC([NH3+])CC(=O)NCCc1c[nH]c2ccccc12
BondNum,"Please generate a molecule consisting 14 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C(Nc1ccc(N2CCC2=O)cc1)NC1C=CCCC1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 amide groups.",COC1(CCC(N)=O)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1
AddComponent,Add a benzene ring to the molecule Cc1cccc2c(=O)n(CC(=O)N3CC(=O)NC4CCCCC43)cnc12.,Cc1ccc(-c2ccccc2)c2c(=O)n(CC(=O)N3CC(=O)NC4CCCCC43)cnc12
SubComponent,Please substitute a halo in the molecule Cn1cc(CNc2cnn(CC(F)F)c2)c(C2CCCCC2)n1 with a carboxyl.,Cn1cc(CNc2cnn(CC(F)C(=O)[OH])c2)c(C2CCCCC2)n1
DelComponent,Remove a CCCCCOC1(F)C(F)(F)C(F)(F)C1(F)F from the molecule halo.,CCCCCOC1C(F)(F)C(F)(F)C1(F)F
LogP,Modify the molecule CCOCC(=O)NC1C2CC3CC(C2)CC1C3 to increase its LogP value.,CCOCC(=O)NC1C2CC3CC1CC(S)(C3)C2
MR,Modify the molecule CC[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 to increase its MR value.,CC[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1
QED,Please modify the molecule COc1cccc(S(=O)(=O)c2sc(CN(C)C(=O)[O-])cc2-c2ccccc2F)c1 to decrease its QED value.,COc1cccc(S(=O)(=O)c2sc(CN(C)C(=O)[O-])cc2-c2ccccc2S)c1
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",O=S(=O)(NCCc1ccccc1)Nc1cncc(Cl)c1
BondNum,"Please generate a molecule composed of 28 single bonds, 1 double bond, and 9 rotatable bonds.",C=CCCCC1CCC(B(C2CCC3CCCCC32)N(C(C)C)C(C)C)C1
FunctionalGroup,"Please generate a molecule composed of 1 ester group, and 1 amide group.",CCOC(=O)CN(C(=O)CCc1ccco1)C(C)C
AddComponent,Add a benzene ring to the molecule CC(NC(=O)NC1CCOC1c1cnn(C)c1)C(=O)N1CCCCC1C.,CC(NC(=O)NC1CCOC1c1cnn(C)c1)C(=O)N1CCCCC1Cc1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule O=C([O-])C(CCO)CCCCCCCCCCCCCCCC[NH+](CCO)CCO with a carboxyl.,O=C([OH])CCC(CCCCCCCCCCCCCCCC[NH+](CCO)CCO)C(=O)[O-]
DelComponent,Modify the molecule benzene ring by removing a O=C(Nc1ccccc1SCc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1.,NC(=O)N1CCC(C(=O)Nc2ccccc2SCc2ccccc2)CC1
LogP,Modify the molecule COc1ccc(CNc2cn[nH]c(=O)c2Br)cc1OCCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 to have a lower LogP value.,COc1ccc(CNc2cn[nH]c(=O)c2O)cc1OCCN1CC[NH+](Cc2ccc(Cl)cc2)CC1
MR,Modify the molecule COc1ccc(NC(=O)C2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 to have a lower MR value.,COc1ccc(C2CCC(C(=O)N3CCc4ccccc4C3)C2)cc1
QED,Please optimize the molecule CCC(C)C(NC(=O)N(C)Cc1csc(COC)n1)C(=O)NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c1ccc(CN=O)cc1 to have a lower QED value.,CCC(C)C(NC(=O)N(C)Cc1csc(COC)n1)C(=O)NC(Cc1ccccc1)C(CN(CC(C)C)S(=O)(=O)c1ccc(CN=O)cc1)C(=O)[OH]
AtomNum,"Please generate a molecule with 21 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 4 fluorine atoms.",OC1(C[NH+]2CC3C(C[NH2+]Cc4ccc(F)c(C(F)(F)F)c4)C3C2)CCCCC1
BondNum,"There is a molecule composed of 20 single bonds, 1 double bond, 6 rotatable bonds, and 10 aromatic bonds.",Cc1ccc2nc(NC(=O)CCOC3CC4CCC3O4)n(C3CCC3)c2n1
FunctionalGroup,"There is a molecule consisting of 2 thioether groups, and 2 sulfide groups.",CCCCP(CCCC)(CCCC)=C1SC2C3CCC(C3)C2S1
AddComponent,Add a carboxyl to the molecule Nc1cccc(CC(=O)c2cnccn2)c1.,Nc1cc(CC(=O)c2cnccn2)ccc1C(=O)O
SubComponent,Modify the molecule halo by substituting a CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2csc(-c3cnn(C)c3)n2)c1 with a aldehyde.,CC(=O)c1ccc(C(=O)NC(C)C)cc1NC(=O)c1csc(-c2cnn(C)c2)n1
DelComponent,Modify the molecule amine by removing a CSCCCCCCNc1nc(NN)nc(OC(C)C)n1.,CSCCCCCCNc1nc(N)nc(OC(C)C)n1
LogP,Please optimize the molecule Cc1cc(NC(=O)C2([NH3+])CCCC2)cnc1Cl to have a higher LogP value.,Cc1cc(NC(=O)C2([NH3+])CCC(c3ccccc3)C2)cnc1Cl
MR,Please modify the molecule CCc1cc(C#CC[NH3+])ccc1NC(=O)c1ccoc1Cl to increase its MR value.,CCc1cc(C#CC[NH3+])c(C(=O)O)cc1NC(=O)c1ccoc1Cl
QED,Modify the molecule CCOC(=O)c1ccc(NC(=O)NCCOc2ccccc2OC)cc1 to have a lower QED value.,CCOC(=O)c1ccc(NC(=O)NCCOOC)cc1
AtomNum,"There is a molecule with 13 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)NC(=O)C(C#N)=C[NH2+]C1CCCCC1
BondNum,"The molecule has 18 single bonds, 2 double bonds, and 8 rotatable bonds.",C[N+](C)(C)C1CCN(OOSCCCS(=O)(=O)[O-])CC1
FunctionalGroup,The molecule consists of and 1 benzene ring group.,CC(C)(C)CC(C)([NH2+]Cc1ccccc1)C(=O)[O-]
AddComponent,Add a benzene ring to the molecule CC[NH+](CC)CC(C)n1c(=S)[nH]c2cc(F)ccc21.,CC[NH+](CC)CC(C)n1c(=S)[nH]c2c(-c3ccccc3)c(F)ccc21
SubComponent,Please substitute a COC1OC(=O)C2(Br)N=NCC12 in the molecule halo with a carboxyl.,COC1OC(=O)C2(C(=O)[OH])N=NCC12
DelComponent,Please remove a CCCNc1nnc(Cn2ccn(CC)c2=O)s1 from the molecule amine.,CCCc1nnc(Cn2ccn(CC)c2=O)s1
LogP,Please modify the molecule CCCCOC1C(c2ccc(Cl)c(Cc3ccc(OCC)cc3)c2)OC2(COS(=O)(=O)c3ccc(C)cc3)COC2C1OCCCC to decrease its LogP value.,CCCCOC1C(C(Cl)c2ccc(OCC)cc2)OC2(COS(=O)(=O)c3ccc(C)cc3)COC2C1OCCCC
MR,Modify the molecule COCCNC(=O)N1C(C)(C)CC([NH3+])CC1(C)C to increase its MR value.,COCCNC(=O)N1C(C)(C)CC([NH3+])CC1(C)Cc1ccccc1
QED,Modify the molecule COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3C#N)c(Cl)c2)cc1 to increase its QED value.,COc1ccc(C(C#N)c2ccc(OCc3ccccc3C#N)c(Cl)c2)cc1
AtomNum,"The molecule is composed of 9 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC[NH+](CC)CCNOCCOC
BondNum,"Please generate a molecule consisting 14 single bonds, 1 double bond, and 3 rotatable bonds.",CCC(C)(C)N(C)C(=O)C1C[NH2+]CCO1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 2 hydroxyl groups, 2 ketone groups, and 1 nitrile group.",COC1=C(C)C(=O)C2=C(C1=O)C(O)(CO)C1(C#N)C3C(CN21)N3C(c1ccccc1)(c1ccccc1)c1ccccc1
AddComponent,Add a carboxyl to the molecule Cc1cn(CC2CSc3ccccc32)c(C)c1C.,Cc1cn(CC2CSc3ccccc32)c(CC(=O)O)c1C
SubComponent,Modify the molecule halo by substituting a CN(c1ccc(F)cc1)c1nnc(C2CCCCC2)n1C with a nitrile.,CN(c1ccc(C#N)cc1)c1nnc(C2CCCCC2)n1C
DelComponent,Please remove a halo from the molecule CN(CC(=O)NC1CC1)c1ccc(C[NH2+]C2CC2)cc1F.,CN(CC(=O)NC1CC1)c1ccc(C[NH2+]C2CC2)cc1
LogP,Please modify the molecule Cc1ccc(C(=O)Nc2ccc(NC(=O)C(NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)Nc5c(F)cccc5F)c4C)CC3)C(C)C)cc2C)cc1 to decrease its LogP value.,Cc1ccc(C(=O)Nc2ccc(NC(=O)C(NC(=O)C3CC[NH+](C(C)C(=O)Nc4ccc-c4(C)-c4c(F)cccc4F)CC3)C(C)C)cc2C)cc1
MR,Modify the molecule CC(C)(C)OC(=O)n1cc(-c2cnc3[nH]c(=O)oc3c2)c2ccc(F)cc21 to increase its MR value.,CC(C)(C)OC(=O)n1cc(-c2cnc3[nH]c(=O)oc3c2)c2ccccc21
QED,Optimize the molecule C=C[Si](C=C)(C1=C(C)CC=C1C)C1=C(C)CC=C1C to have a lower QED value.,C=C[Si](C=C)(C1=C(C)CC=C1C)C1=C(C)CC=C1Cc1ccccc1
AtomNum,"The molecule consists of 21 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COC(=O)c1cc(-c2ccc(=O)n(C(C)C)n2)c(-c2ccccc2)nc1C
BondNum,"There is a molecule consisting of 22 single bonds, 5 double bonds, and 11 rotatable bonds.",COCC([NH3+])C(=O)NNC(=O)C(CC(N)=O)NC(=O)NC(C(=O)[O-])C(C)OC
FunctionalGroup,"Please generate a molecule with 1 ester group, 1 amide group, and 2 halo groups.",Cc1cc(Cn2cc(C(=O)N3CCC4(CC3)OC(=O)c3cc(F)ccc34)c3ccc(Cl)cc32)ccn1
AddComponent,Modify the molecule CC=CC(=O)OC1CCC(C2CCC(c3ccc(Br)c(F)c3)CC2)CC1 by adding a benzene ring.,CC=CC(=O)OC1CCC(C2CCC(c3ccc(Br)c(F)c3)CC2)C(c2ccccc2)C1
SubComponent,Substitute a halo in the molecule CCc1ccc(C(Cl)c2cc3ccccc3s2)s1 with a carboxyl.,CCc1ccc(C(C(=O)[OH])c2cc3ccccc3s2)s1
DelComponent,Please remove a amine from the molecule N=c1cc(S(=O)(=O)[O-])c(=NNc2ccc(N)cc2N)c2c(-c3ccc(S(=O)(=O)c4ccccc4)cc3)c(S(=O)(=O)[O-])c(=NNc3ccccc3)c(=O)c1=2.,N=c1cc(S(=O)(=O)[O-])c(=NNc2ccccc2N)c2c(-c3ccc(S(=O)(=O)c4ccccc4)cc3)c(S(=O)(=O)[O-])c(=NNc3ccccc3)c(=O)c1=2
LogP,Please optimize the molecule CC(O)c1cnc2cnc(C=CC(C)(C)C(=O)[O-])cc2c1 to have a higher LogP value.,CCc1cnc2cnc(C=CC(C)(C)C(=O)[O-])cc2c1
MR,Modify the molecule CC(C)[NH2+]Cc1cc(C[NH+]2CCOC3CCCCC32)on1 to have a higher MR value.,CC(C)[NH2+]Cc1cc(C[NH+]2CCOC3(O)CCCCC23)on1
QED,Modify the molecule CCN1c2ccc(C=C(C#N)c3ccc(C(F)(F)F)cc3)cc2C(C)=CC1(C)C to increase its QED value.,CCN1c2ccc(C=C(O)c3ccc(C(F)(F)F)cc3)cc2C(C)=CC1(C)C
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, and 2 fluorine atoms.",Cc1cnn(CC2CN(C(=O)Nc3cnn(CC(F)F)c3)CCO2)c1
BondNum,"The molecule consists of 12 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",COC(=O)c1cccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)cc2)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 halo group, 1 thioether group, and 1 sulfide group.",O=c1c2ccccc2nc(SCc2cc(F)cc3c2OCOC3)n1CCCc1ccccc1
AddComponent,Add a hydroxyl to the molecule Cc1cc(C=O)c(C)n1CCOC(C)C.,Cc1c(O)c(C=O)c(C)n1CCOC(C)C
SubComponent,Substitute a halo in the molecule Cc1ccc(Sc2cc(Br)c(F)cc2N)cc1 with a carboxyl.,Cc1ccc(Sc2cc(C(=O)[OH])c(F)cc2N)cc1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccccc1C([NH3+])CCS(C)(=O)=O.,CC([NH3+])CCS(C)(=O)=O
LogP,Optimize the molecule CC1CCC(C(=O)N(c2cc(F)c(Oc3ncccc3C(F)(F)F)cc2C(=O)[O-])C2CCC(C)CC2)CC1 to have a lower LogP value.,CC1CCC(C(=O)N(c2cc(C(=O)[OH])c(Oc3ncccc3C(F)(F)F)cc2C(=O)[O-])C2CCC(C)CC2)CC1
MR,Please optimize the molecule Cc1nc(C(=O)C(=N)CC(=O)[O-])c(=O)c2ccc(Oc3ccc(Br)cc3)[nH]c1-2 to have a lower MR value.,Cc1nc(C(=O)C(=N)CC(=O)[O-])c(=O)c2ccc(OBr)[nH]c1-2
QED,Optimize the molecule COC(=O)CSc1ccc(NC(=O)c2ccc(F)cc2)cc1 to have a lower QED value.,COC(=O)CSc1ccc(NC(=O)c2ccc(F)c(-c3ccccc3)c2)cc1
AtomNum,"The molecule consists of 12 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",Oc1cc2c(c(C3CC[NH2+]C3)c1)OCCO2
BondNum,"There is a molecule consisting of 62 single bonds, 3 double bonds, 14 rotatable bonds, and 32 aromatic bonds.",CC1Cc2ccc(cc2-c2ccc3nc(C4CC5CCCCC5N4C(=O)C(NC(=O)OC(C)(C)C(F)(F)F)C(C)C)[nH]c3c2)CCc2ccc1cc2-c1ccc2nc(C3CC4CCCCC4N3C(=O)C([NH2+]C(O)OC(C)(C)C(F)(F)F)C(C)C)[nH]c2c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",CNC(=O)CCOc1ccccc1C(C)(C)C
AddComponent,Modify the molecule Cc1ccc(N)c(C(=O)c2cc(Br)c(Br)s2)c1 by adding a carboxyl.,Cc1ccc(N)c(C(=O)c2sc(Br)c(Br)c2C(=O)O)c1
SubComponent,Please substitute a halo in the molecule CCOC(=O)CCNC(=O)C1(C)Oc2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc2N(C)C1=O with a nitrile.,CCOC(=O)CCNC(=O)C1(C)Oc2cc(Oc3c(Cl)cc(C(F)(F)F)cc3C#N)ccc2N(C)C1=O
DelComponent,Modify the molecule COc1ccc(C(=O)N(C)C)cc1NC(=O)C=Cc1cc(C(F)(F)F)ccc1Cl by removing a benzene ring.,CON(C(=O)C=Cc1cc(C(F)(F)F)ccc1Cl)C(=O)N(C)C
LogP,Modify the molecule O=C(Nc1ccccc1)C1CCNc2ccccc21 to have a higher LogP value.,O=C(Nc1ccccc1)C1CCc2ccccc21
MR,Optimize the molecule O=C1Nc2nncnc2C(=O)C1c1c(F)cc(F)cc1F to have a higher MR value.,O=C1Nc2nncnc2C(=O)C1c1c(F)cc(F)cc1S
QED,Modify the molecule Cc1ccc(C)c(C(=O)N(CCBr)C(C)C)c1 to have a lower QED value.,Cc1ccc(C)c(C(=O)N(CCBr)C(C)Cc2ccccc2)c1
AtomNum,There is a molecule with 28 carbon atoms.,CCCCCCc1ccc2ccc3c(ccc4c5ccccc5ccc43)c2c1
BondNum,"There is a molecule composed of 15 single bonds, 1 double bond, 9 rotatable bonds, and 12 aromatic bonds.",CCOCCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC1
FunctionalGroup,There is a molecule composed of and 1 halo group.,COc1cc2c(Cl)ncnc2cc1OCCOCC[NH+]1CCN(C)CC1
AddComponent,Add a benzene ring to the molecule CC(C)CCNC(=O)Cn1ccc2cc(C(=O)[O-])ccc21.,CC(C)CCNC(=O)Cn1ccc2cc(C(=O)[O-])cc(-c3ccccc3)c21
SubComponent,Modify the molecule hydroxyl by substituting a CCCCCCCCOCC(O)C[NH2+]C(C)CC[NH+](C)C with a aldehyde.,CC(=O)C(C[NH2+]C(C)CC[NH+](C)C)COCCCCCCCC
DelComponent,Please remove a C=CCn1c(SCCc2ccccn2)nnc1-c1cccc(C)c1 from the molecule benzene ring.,C=CCn1c(C)nnc1SCCc1ccccn1
LogP,Please optimize the molecule COCCCC(Cc1cc(F)cc(Br)c1)NN to have a lower LogP value.,COCCCC(Cc1cc(Br)cc(C(=O)[OH])c1)NN
MR,Modify the molecule CCC(C)NC(=O)Nc1cnc2c(cnn2C(C)C)c1 to have a higher MR value.,CC(CCS)NC(=O)Nc1cnc2c(cnn2C(C)C)c1
QED,Please optimize the molecule CC[NH+](Cc1cc(C(=O)OCCCCCCl)cc(Br)c1N)C1CCCCC1 to have a higher QED value.,CC[NH+](Cc1cc(Br)cc(C(=O)OCCCCCCl)c1)C1CCCCC1
AtomNum,"The molecule consists of 42 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 2 fluorine atoms, and 1 chlorine atom.",Cc1ccccc1NC(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3cc(C(=O)Nc4ccc(F)c(F)c4)ccc3C)C(C)C)CC2)ccc1Cl
BondNum,"Please generate a molecule consisting 10 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",COc1ccccc1C(C)([NH3+])Cc1c(C)nn(C)c1Cl
FunctionalGroup,"Please generate a molecule consisting 4 benzene ring groups, 5 amide groups, and 3 halo groups.",Cc1ccc(NC(=O)c2cccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)Nc5ccc(F)c(F)c5)ccc4C)CC3)c2)c(F)c1
AddComponent,Modify the molecule Cc1ccc(C)c(Oc2cccc(N)c2[N+](=O)[O-])c1C by adding a benzene ring.,Cc1cc(-c2ccccc2)c(C)c(Oc2cccc(N)c2[N+](=O)[O-])c1C
SubComponent,Substitute a halo in the molecule CN1CCN(Cc2ccc(N)cc2Br)C(=O)C1=O with a hydroxyl.,CN1CCN(Cc2ccc(N)cc2O)C(=O)C1=O
DelComponent,Modify the molecule CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(CO)CC1 by removing a benzene ring.,CCN(CC)C(=O)C[NH+]1CCC(CO)CC1
LogP,Modify the molecule CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1cc(Cl)ccc1Cl to decrease its LogP value.,CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1Cl
MR,Please optimize the molecule Cc1cc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2)c(C)s1 to have a lower MR value.,Cc1cc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)c(C)s1
QED,Please modify the molecule Cc1ccc2c(c1)c(=O)n(CC(=O)[O-])c(=O)n2CC(=O)Nc1cc(Cl)nc(Cl)c1 to increase its QED value.,Cc1ccc2c(c1)c(=O)n(CC(=O)[O-])c(=O)n2CC(=O)Nc1ccnc(Cl)c1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",O=C(NCCc1nnc(-c2ccccc2Cl)o1)NC1CCCCC1
BondNum,"Please generate a molecule composed of 8 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCCCCCc1ccc(N)c(Cl)c1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2C)cc1N
AddComponent,Add a aldehyde to the molecule CCCCP(CCCC)(CCCC)=NP(Cl)Cl.,CCCCP(CCCC)(CCCCCC=O)=NP(Cl)Cl
SubComponent,Please substitute a CC[NH+](CCC[NH+](C)C)C1Cc2ccc(OC)cc2C1O in the molecule hydroxyl with a nitrile.,CC[NH+](CCC[NH+](C)C)C1Cc2ccc(OC)cc2C1C#N
DelComponent,Please remove a amine from the molecule CC[NH+]1CCc2c(cc(N)c(=O)n2CC(C)C)C1.,CC[NH+]1CCc2c(ccc(=O)n2CC(C)C)C1
LogP,Modify the molecule CC#CCn1c(N2CC[NH2+]CC2)nc2c1c(=O)n(CCNS(C)(=O)=O)c(=O)n2C to increase its LogP value.,CC#CCn1c(N2CC[NH2+]CC2)nc2c1c(=O)n(CCS(C)(=O)=O)c(=O)n2C
MR,Optimize the molecule S=[P+](Cc1ccccc1Cl)c1ccc(Cl)cc1 to have a higher MR value.,S=[P+](Cc1ccccc1S)c1ccc(Cl)cc1
QED,Please optimize the molecule CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2I)c1 to have a higher QED value.,CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2O)c1
AtomNum,"There is a molecule composed of 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",NC(=O)c1ccsc1NC(=O)COC(=O)C=Cc1sc2ccccc2c1Cl
BondNum,"There is a molecule with 14 single bonds, 2 double bonds, 7 rotatable bonds, and 26 aromatic bonds.",CCn1c(=O)c2nc(C3CCCC3)n(Cc3ccccc3)c2n2nc(COC(=O)c3cccnc3)nc12
FunctionalGroup,"The molecule contains 1 ketone group, 1 amide group, 1 halo group, and 1 sulfone group.",CN(c1cc2c(cc1Br)C(=O)C(=O)N2)C1CCS(=O)(=O)C1
AddComponent,Please add a thiol to the molecule CCC[NH2+]C(c1ccc(C)c(C)c1)C1CCC(CC)C1.,CCC[NH2+]C(S)(c1ccc(C)c(C)c1)C1CCC(CC)C1
SubComponent,Substitute a O=C([O-])CCNc1cc(Cl)cc(C[NH+]2CCCC23CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC3)c1 in the molecule halo with a aldehyde.,CC(=O)c1cc(C[NH+]2CCCC23CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC3)cc(NCCC(=O)[O-])c1
DelComponent,Remove a benzene ring from the molecule COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4C(=O)c3ccccc3)CC2)cc1OC.,COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4C=O)CC2)cc1OC
LogP,Please modify the molecule COC(=O)C1CCC(C(C)NC(=O)c2ccc(F)c3ccn(Cc4ccc(Cl)cc4)c23)CC1 to decrease its LogP value.,COC(=O)C1CCC(C(C)NC(=O)c2cccc3ccn(Cc4ccc(Cl)cc4)c23)CC1
MR,Modify the molecule Cc1ccc(CC2CCCN2C(=O)c2ccc3ccccc3n2)cc1 to have a lower MR value.,Cc1ccc(CC23ccc4ccccc4n2CCC3)cc1
QED,Modify the molecule CCc1cc(I)ccc1NC(=S)NC(=O)COc1ccccc1C to increase its QED value.,CCc1cc(C#N)ccc1NC(=S)NC(=O)COc1ccccc1C
AtomNum,"There is a molecule composed of 17 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1ccc(C(C)C)c(O)c1-c1ccc(C#N)cc1
BondNum,"The molecule consists of 22 single bonds, and 1 rotatable bond.",CC12CC3CC(C)(C1)CC(N1CCCC([NH3+])C1)(C3)C2
FunctionalGroup,"There is a molecule with 4 halo groups, and 1 sulfide group.",[O-]c1c(C(F)(F)F)c(CBr)cc2ccsc12
AddComponent,Modify the molecule CNC(=O)c1ccc2c(Cl)c(-c3nn(C(C)C)c4ncnc(N)c34)[nH]c2c1 by adding a thiol.,CNC(=O)c1cc2[nH]c(-c3nn(C(C)C)c4ncnc(N)c34)c(Cl)c2cc1S
SubComponent,Substitute a halo in the molecule CC(C)OC(=O)COc1ccc(F)c(N(C)c2cc(O)cc(-c3cccc(F)c3)c2)c1F with a hydroxyl.,CC(C)OC(=O)COc1ccc(O)c(N(C)c2cc(O)cc(-c3cccc(F)c3)c2)c1F
DelComponent,Please remove a benzene ring from the molecule COC(=O)c1c(-c2ccc(Cl)cc2)noc1Nc1ccc(C[NH+]2CCC(C)CC2)cc1.,COC(=O)c1c(-c2ccc(Cl)cc2)noc1NC[NH+]1CCC(C)CC1
LogP,Optimize the molecule CN1CC[NH+](C(CNC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 to have a higher LogP value.,CN1CC[NH+](C(CNC(=O)c2ccccc2)c2ccc(Cl)c(-c3ccccc3)c2)CC1
MR,Modify the molecule CC(Cc1ccc2ccccc2c1)NC(=O)N1CCCC(O)C1 to have a lower MR value.,CC(Cc1ccc2ccccc2c1)NC(=O)N1CCCCC1
QED,Modify the molecule CC(C[NH+]1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12)C(=O)[O-] to decrease its QED value.,CC(C[NH+]1CCC2(CC1)COc1cc(OCc3c(S)cccc3Cl)ccc12)C(=O)[O-]
AtomNum,"The molecule has 16 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",COc1ccc(Cl)cc1NC(=O)Nc1nc2c(s1)CN(S(=O)(=O)N(C)C)CC2
BondNum,"Please generate a molecule composed of 11 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CN(CCc1ccncc1)C(=O)C(C)(C)C(N)=[NH+]O
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 6 halo groups.",CCCc1cc(NC(=O)C(C(F)(F)F)C(F)(F)F)n[nH]1
AddComponent,Add a benzene ring to the molecule CCCCCCCCCCC(C)CC1=NCCO1.,CCCCCCCC(CCC(C)CC1=NCCO1)c1ccccc1
SubComponent,Substitute a COc1ccc(S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)Cc2ccccc2)cc1Cl in the molecule halo with a hydroxyl.,COc1ccc(S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)Cc2ccccc2)cc1O
DelComponent,Remove a O=C([O-])CCNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 from the molecule halo.,O=C([O-])CCNC(=O)NCC1(c2ccccc2)CCOCC1
LogP,Modify the molecule CCOP(=O)(Cc1cnc(C)c(O)c1CO)OCC to increase its LogP value.,CCOP(=O)(Cc1cnc(C)cc1CO)OCC
MR,Please optimize the molecule CS(=O)(=O)NC1CCOC2(CC[NH+](Cc3cccs3)C2)C1 to have a higher MR value.,CS(=O)(=O)NC1CCOC2(CC[NH+](C(O)c3cccs3)C2)C1
QED,Optimize the molecule COc1ccc(C(CNC(=O)c2cc(Cl)ccc2F)[NH+]2CCCCC2)cc1 to have a higher QED value.,COc1ccc(C(CNC(=O)c2cc(C#N)ccc2F)[NH+]2CCCCC2)cc1
AtomNum,"Please generate a molecule with 18 carbon atoms, 1 oxygen atom, 7 nitrogen atoms, and 1 sulfur atom.",CC(C)n1nnnc1SCC(=O)Nc1ccc(N=Nc2ccccc2)cc1
BondNum,"The molecule contains 7 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",CCN(C)C(=O)NCc1cnc[nH]1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, and 1 sulfone group.",CC1CN(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)C1
AddComponent,Modify the molecule O=C1C2c3ccccc3CCN2C(=O)N1CC1CCCS1(=O)=O by adding a benzene ring.,O=C1C2c3ccccc3CCN2C(=O)N1CC1C(c2ccccc2)CCS1(=O)=O
SubComponent,Modify the molecule CC#CCCC([NH2+]CC)c1c(F)ccc(C)c1F by substituting a halo with a nitrile.,CC#CCCC([NH2+]CC)c1c(C#N)ccc(C)c1F
DelComponent,Please remove a halo from the molecule CCOc1ccc(C(=O)NN=C(C)c2cc(Br)ccc2O)cc1.,CCOc1ccc(C(=O)NN=C(C)c2ccccc2O)cc1
LogP,Modify the molecule CCCNc1cc(N(CCC)CCC)nc(CC)n1 to increase its LogP value.,CCCc1cc(N(CCC)CCC)nc(CC)n1
MR,Please modify the molecule Cc1cc(C)n(CCCNS(=O)(=O)c2ncccc2F)n1 to increase its MR value.,Cc1cc(C)n(CCCNS(=O)(=O)c2ncccc2NO)n1
QED,Please optimize the molecule COc1ccc(CCNC(=O)CN(C(C)=O)c2ccccc2Cl)cc1OC to have a higher QED value.,COc1ccc(CCNC(=O)CN(C(C)=O)c2ccccc2)cc1OC
AtomNum,"The molecule consists of 14 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",O=S(=O)(c1c[nH+]c2n1CCC2)N1CCC2(CC[NH2+]CC2)C1
BondNum,"There is a molecule with 13 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CN(CCCl)c1ccc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ester group, 1 amide group, and 1 sulfide group.",CCOC(=O)N1CCc2c(sc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2C(=O)OC)C1
AddComponent,Add a hydroxyl to the molecule CCNC(=O)c1ccc(Oc2ccc(CO)cc2)c(N)c1.,CCNC(=O)c1ccc(Oc2ccc(C(O)O)cc2)c(N)c1
SubComponent,Modify the molecule O=C([O-])c1ccc(CCCc2c(CCNS(=O)(=O)c3ccccc3OCc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3cccc(Cl)c23)cc1 by substituting a halo with a carboxyl.,O=C([O-])c1ccc(CCCc2c(CCNS(=O)(=O)c3ccccc3OCc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3cccc(C(=O)[OH])c23)cc1
DelComponent,Modify the molecule amine by removing a CN(CCC(F)(F)F)c1ncccc1C(N)=[NH+]O.,CN(CCC(F)(F)F)c1ncccc1C(N)O
LogP,Optimize the molecule C[NH2+]Cc1cc(C[NH+](C)C(C)c2ccc(Cl)cc2)c(C)o1 to have a higher LogP value.,C[NH2+]Cc1cc(C[NH+](C)C(C)c2ccc(Cl)c(-c3ccccc3)c2)c(C)o1
MR,Modify the molecule OC1(Cc2nccs2)CCCCC1 to increase its MR value.,O=CCC1CCC(O)(Cc2nccs2)CC1
QED,Please modify the molecule C=CCC1CCC(=O)C1C(N)=O to decrease its QED value.,C=CCC1CCC1=O
AtomNum,"Please generate a molecule with 20 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",COc1ccccc1-c1ccc2[nH]c(-n3cc(CC(=O)[O-])cn3)nc(=O)c2c1
BondNum,"Please generate a molecule with 17 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",COCCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 1 amine group, and 2 sulfide groups.",C=CCN1C(=O)C(=C(C)c2ccc(OC)cc2)SC1=[NH+]c1nc(-c2ccccc2)cs1
AddComponent,Add a hydroxyl to the molecule CN1CCS(=O)(=O)C(C2(NC(=O)NC3CCCCCCCCCC(C(=O)C(=O)NC4CC4)NC(=O)C4C5C(CN4C3=O)C5(C)C)CCCCC2)C1.,CN1CCS(=O)(=O)C(C2(NC(=O)NC3CCC(O)CCCCCCC(C(=O)C(=O)NC4CC4)NC(=O)C4C5C(CN4C3=O)C5(C)C)CCCCC2)C1
SubComponent,Please substitute a hydroxyl in the molecule Cc1cc2c(SC(C)C(C)O)nccn2n1 with a carboxyl.,Cc1cc2c(SC(C)C(C)C(=O)[OH])nccn2n1
DelComponent,Modify the molecule benzene ring by removing a Cc1cc(O)ccc1NC(=O)c1ccc2c(c1)CCC2.,CN(O)C(=O)c1ccc2c(c1)CCC2
LogP,Please optimize the molecule COCCN(Cc1nc2cc(Cl)ccc2o1)C(=O)C(C)Oc1ccccc1 to have a lower LogP value.,COCCN(Cc1nc2cc(S)ccc2o1)C(=O)C(C)Oc1ccccc1
MR,Modify the molecule Nc1ccc(Oc2c(Cl)cc(Cc3cc(Cl)c(Oc4ccc(N)cc4)c(Cl)c3)cc2Cl)cc1 to have a higher MR value.,Nc1ccc(Oc2c(Cl)cc(Cc3cc(Cl)c(Oc4ccc(N)cc4)c(NO)c3)cc2Cl)cc1
QED,Please optimize the molecule CNC(=S)NCC1CN(c2ccc(N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)nc2)C(=O)O1 to have a lower QED value.,CNC(=S)NCC1CN(c2ccc(N3CC[NH+](Cc4ccc(C(F)(F)F)c(O)c4)CC3)nc2)C(=O)O1
AtomNum,"The molecule consists of 12 carbon atoms, 2 sulfur atoms, and 6 fluorine atoms.",Cc1ccc(-c2sc(C)c(C(F)(F)F)c2C(F)(F)F)s1
BondNum,"Please generate a molecule composed of 11 single bonds, 3 rotatable bonds, and 18 aromatic bonds.",Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2P(C)C)c(C)c1
FunctionalGroup,Please generate a molecule with and 1 ketone group.,CC1=CC(=O)c2c(N3CCOCC3)cc(N3CCOCC3)c3nc(C)nc1c23
AddComponent,Modify the molecule CC1CCCNC1C[NH2+]Cc1cc(Br)cs1 by adding a hydroxyl.,OCC1CCCNC1C[NH2+]Cc1cc(Br)cs1
SubComponent,Modify the molecule halo by substituting a Cc1cc(C(F)F)nn1CC(=O)N1CCC(c2nc(=O)cc(-c3cccnc3)[nH]2)C1 with a aldehyde.,CC(=O)C(F)c1cc(C)n(CC(=O)N2CCC(c3nc(=O)cc(-c4cccnc4)[nH]3)C2)n1
DelComponent,Remove a benzene ring from the molecule c1ccc(C2CSCC(c3ccccc3)CC(c3ccccc3)CSCC(c3ccccc3)C2)cc1.,c1ccc(C2CCCSCC(c3ccccc3)CC(c3ccccc3)CSC2)cc1
LogP,Please optimize the molecule Cc1cccc(C)c1CSC(C)C(C)O to have a lower LogP value.,CC(C)SC(C)C(C)O
MR,Please modify the molecule O=C(NCCCCc1ccc(Cl)s1)C1(CO)CC1 to increase its MR value.,CC(=O)CC1(C(=O)NCCCCc2ccc(Cl)s2)CC1
QED,Please optimize the molecule CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(Cl)cc2)cc1 to have a lower QED value.,CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(NO)cc2)cc1
AtomNum,"The molecule consists of 16 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",C=C(Cl)COc1ccc(C(=O)[O-])c(C2=[NH+]C(C)(C(C)C)C(=O)N2)n1
BondNum,"The molecule is composed of 18 single bonds, 2 double bonds, 1 triple bond, 9 rotatable bonds, and 18 aromatic bonds.",CC(C)CCOc1cccc(C2C(C#N)=C([NH3+])Oc3cc(OC(=O)COc4ccccc4)ccc32)c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, and 4 halo groups.",CCc1cc(Br)ccc1NC(=O)c1cc(F)c(Cl)cc1F
AddComponent,Please add a carboxyl to the molecule CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1.,CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)C(C(=O)O)CN3C(C)=O)cc1
SubComponent,Please substitute a CC1C(C(O)(c2ccccc2)c2ccccc2)[NH+]1Cc1ccccc1 in the molecule hydroxyl with a aldehyde.,CC(=O)C(c1ccccc1)(c1ccccc1)C1C(C)[NH+]1Cc1ccccc1
DelComponent,Remove a benzene ring from the molecule Cc1cc(NC(=O)Cn2cnc3c(C)cccc3c2=O)n(-c2ccc(F)cc2)n1.,Cc1cc(NC(=O)Cn2cnc3c(C)cccc3c2=O)n(F)n1
LogP,Optimize the molecule CCCCn1nnnc1CSc1nnnn1Cc1cccs1 to have a lower LogP value.,CCCCn1nnnc1CSc1nnnn1Cc1sccc1O
MR,Modify the molecule CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)nnc1C1CCCC1 to increase its MR value.,CCn1c(SCC(=O)Nc2sc3c(c2Br)CCCCCC3)nnc1C1CCCC1
QED,Modify the molecule CCC(=O)N1CCc2cc(C(=O)NCC3(O)CCC3)ccc21 to have a higher QED value.,CC(=O)C1(CNC(=O)c2ccc3c(c2)CCN3C(=O)CC)CCC1
AtomNum,"There is a molecule with 17 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC(=O)c1c(CCc2ccc(C(=O)[O-])cc2)c[nH]c1NC(C)[NH3+]
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC1(C(=O)[O-])CCN(C(=O)COCCc2ccccc2)C1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 sulfide group.",c1csc(-c2ccc(C[NH+]3CCOCC3)cc2)c1
AddComponent,Add a hydroxyl to the molecule COC(C1COC(C)(C)O1)C1OC(C)(C)OC1C.,COC(C1OC(C)(C)OC1C)C1OC(C)(C)OC1O
SubComponent,Modify the molecule COc1ccc(F)c(OC)c1CN[O-] by substituting a halo with a thiol.,COc1ccc(S)c(OC)c1CN[O-]
DelComponent,Modify the molecule halo by removing a FC(F)(F)C1(C(F)(F)F)C2CC(C3C4C=CC(C4)C32)C1(F)F.,FC(F)C1(C(F)(F)F)C2CC(C3C4C=CC(C4)C32)C1(F)F
LogP,Modify the molecule CCCC=Cc1cc(C)c(O)c(F)c1 to have a lower LogP value.,Cc1cc(C=CCC(C)S)cc(F)c1O
MR,Modify the molecule COC(=O)CCCCCNC(=O)COc1ccc(S(=O)(=O)n2c(S(=O)Cc3ncc(C)c(OC)c3C)nc3cc(OC)ccc32)cc1 to have a lower MR value.,COC(=O)CCCCCOc1ccc(S(=O)(=O)n2c(S(=O)Cc3ncc(C)c(OC)c3C)nc3cc(OC)ccc32)cc1
QED,Modify the molecule CC(C)C1(O)CN(C(=O)Cc2ccccc2Cl)C1 to have a lower QED value.,CC(C)C1(F)CN(C(=O)Cc2ccccc2Cl)C1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",CCc1nc(CC)n(-c2cccc(C(N)=[NH+]O)n2)n1
BondNum,"There is a molecule consisting of 20 single bonds, 2 double bonds, and 15 rotatable bonds.",CCCCCCCCOC(=O)CCC(=O)OC(CC)CCCC
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ketone group, and 2 halo groups.",COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OC(F)F
AddComponent,Modify the molecule COc1ccccc1C1C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1CCCn1ccnc1 by adding a benzene ring.,O=C1C(=O)N(CCCn2ccnc2)C(c2ccccc2OCc2ccccc2)C1=C([O-])c1ccc(Cl)cc1
SubComponent,Substitute a halo in the molecule COc1cc(Cl)cc(Cl)c1C(=O)C1CC1 with a nitro.,COc1cc(NO)cc(Cl)c1C(=O)C1CC1
DelComponent,Modify the molecule CN(C)c1cccc(NC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)[O-])c1 by removing a amide.,CN(C)c1cccc(C2CC3CN2C(=O)N3OS(=O)(=O)[O-])c1
LogP,Modify the molecule Nc1n[nH]c(-c2ccoc2Br)c1-c1ccc2c(c1)OCO2 to decrease its LogP value.,Nc1n[nH]c(-c2ccoc2)c1-c1ccc2c(c1)OCO2
MR,Please modify the molecule CC[N+](C)(CC)CCc1cc(C(Oc2ccc3ccccc3n2)C2(OC)C=Cc3ccc(=O)oc3C2)ccc1C to decrease its MR value.,CC[N+](C)(CC)CCCC(Oc1ccc2ccccc2n1)C1(OC)C=Cc2ccc(=O)oc2C1
QED,Please optimize the molecule CCc1nnc(-c2c(C)c(S(=O)(=O)NCc3ccccc3F)c(C)n2C)o1 to have a higher QED value.,CCc1nnc(-c2c(C)c(S(=O)(=O)NCc3ccccc3)c(C)n2C)o1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 2 oxygen atoms, 1 sulfur atom, and 2 bromine atoms.",Cc1cc(C(O)c2cc(Br)sc2Br)co1
BondNum,"The molecule is composed of 7 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CN(CCc1ccccc1)S(=O)(=O)c1cncc(Br)c1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 hydroxyl group, and 1 amide group.",Cc1ccccc1OCC(=O)Nc1cc(C(=O)[O-])ccc1O
AddComponent,Modify the molecule CCOC(=O)N1CCC(NC(N)=NCC(CC)(CC)[NH2+]C(C)c2ccccc2)CC1 by adding a carboxyl.,CCOC(=O)N1CCC(NC(N)=NCC(CC)([NH2+]C(C)c2ccccc2)C(C)C(=O)O)CC1
SubComponent,Please substitute a O=S(=O)(c1csc(CCl)c1)N(CC(F)(F)F)C1CC1 in the molecule halo with a hydroxyl.,O=S(=O)(c1csc(CO)c1)N(CC(F)(F)F)C1CC1
DelComponent,Remove a benzene ring from the molecule N#Cc1ccc(Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c([N+](=O)[O-])c1.,N#CN(c1ccc2c(c1)CCN2C(=O)c1cccnc1)[N+](=O)[O-]
LogP,Please optimize the molecule CCOC(=O)c1ccn(-c2ccc(NC(=O)N3CC[NH+](CCCOCC(F)(F)F)CC3)cc2)n1 to have a lower LogP value.,CCOC(=O)c1ccn(-c2ccc(NC(=O)N3CC[NH+](CCCOCC(F)F)CC3)cc2)n1
MR,Please optimize the molecule Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])cc(OS(=O)(=O)c3ccccc3)c12 to have a lower MR value.,O=S(=O)([O-])c1ccc(N=Nc2cccc3c(OS(=O)(=O)c4ccccc4)cc(S(=O)(=O)[O-])cc23)c(S(=O)(=O)[O-])c1
QED,Please optimize the molecule C=CC(=O)C[Si](C)(C)C(C)(C)OC to have a higher QED value.,C=CC(=O)C[Si](C)(C)C(C)(Cc1ccccc1)OC
AtomNum,"Please generate a molecule with 15 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 bromine atom.",C#CC[NH2+]CCOc1ccc2cc(Br)ccc2c1
BondNum,"There is a molecule composed of 13 single bonds, 4 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",CSCCC(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-]
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 ester group, and 1 sulfone group.",COC(=O)C=Cc1cccc(S(=O)(=O)N2CC[NH+](CCc3ccc(N(C)C)cc3)CC2)c1
AddComponent,Modify the molecule COc1cc(C(=O)NCC(C[NH3+])c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OCC1CC1(F)F by adding a benzene ring.,COc1cc(C(=O)NCC(c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)C([NH3+])c2ccccc2)ccc1OCC1CC1(F)F
SubComponent,Substitute a O=S(=O)(NCC(Sc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1)C1CC1 in the molecule halo with a thiol.,O=S(=O)(NCC(Sc1ccc2c(cnn2-c2ccc(S)cc2)c1)c1ccccc1)C1CC1
DelComponent,Please remove a aldehyde from the molecule CC1CC(C)(C)CC(C=O)C1=O.,CC1CC(C)(C)CC1=O
LogP,Please optimize the molecule CC1(C)CC(=O)C2(Cc3c(ccc4ccccc34)N(Cc3ccc(-c4ccccc4)cc3)C2)C(=O)C1 to have a lower LogP value.,CC1(C)CC(=O)C2(Cc3c(ccc4ccccc34)N(Cc3ccccc3)C2)C(=O)C1
MR,Please optimize the molecule CN(C)c1ccc(Nc2ccc(C(=O)N3CCCC3)cn2)cc1 to have a lower MR value.,CN(C)Nc1ccc(C(=O)N2CCCC2)cn1
QED,Please optimize the molecule O=C(NC1CCCC1Cc1ccccc1)N1CCOCC1C1CCCC1O to have a lower QED value.,O=C(NC1CCCC1Cc1ccccc1)N1CCOCC1C1C(O)CCC1c1ccccc1
AtomNum,"There is a molecule composed of 12 carbon atoms, and 1 nitrogen atom.",C=C(C)C([NH3+])C1C2C3CCC(C3)C21
BondNum,"Please generate a molecule with 11 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]CCNS(=O)(=O)c1ccc(C(=O)OC)c(C)c1
FunctionalGroup,"Please generate a molecule composed of 1 ketone group, 1 amide group, 1 amine group, and 1 sulfide group.",CC(=O)c1sc(N2CCOC(C)C2)c(C(N)=O)c1N
AddComponent,Please add a aldehyde to the molecule CCCCCCCCCCCCOc1cc(N=Nc2ccc(C(=O)[O-])cc2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC.,CCCCCCCCCCCCOc1cc(N=Nc2ccc(C(=O)[O-])cc2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCC(C)CC=O
SubComponent,Please substitute a CC[NH+]1CCCCC1c1cn2c(n1)CCC(CO)C2 in the molecule hydroxyl with a aldehyde.,CC(=O)CC1CCc2nc(C3CCCC[NH+]3CC)cn2C1
DelComponent,Modify the molecule hydroxyl by removing a CCOC(=O)c1ccn2c(C)cc(CO)nc12.,CCOC(=O)c1ccn2c(C)cc(C)nc12
LogP,Modify the molecule c1ccc(-c2ccccc2-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c48)c75)-c2cc3c(-c4ccccc4-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc2-6)cc1 to decrease its LogP value.,c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3)c3cc4c(cc23)-c2ccc3c5ccc6c7c(ccc(c8ccc-4c2c83)c75)-c2c-6c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
MR,Please optimize the molecule CCCOc1c(Br)cc(C(=O)OCC(=O)NCc2cccs2)cc1OC to have a lower MR value.,CCCOc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1OC
QED,Please modify the molecule CCC[NH2+]C(c1ccc(C)c(F)c1)c1cn[nH]n1 to decrease its QED value.,CCC[NH2+]C(c1ccc(C)cc1)c1cn[nH]n1
AtomNum,"The molecule consists of 15 carbon atoms, and 5 oxygen atoms.",CC1OC(COC(=O)c2ccccc2)C(O)C(C)C1O
BondNum,"The molecule has 18 single bonds, 1 double bond, 2 triple bonds, 2 rotatable bonds, and 22 aromatic bonds.",[C-]#[N+]c1c2ccc(C)cc2c(C#N)c2ccc(C=Cc3cc4c5c(c3)C(C)(C)CCN5CCC4(C)C)cc12
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 3 amide groups.",CC(C)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NCCCn1ccnc1
AddComponent,Add a hydroxyl to the molecule CC(C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)n1cncn1.,CC(C(=O)NC1CCN(C(=O)OC(C)(C)CO)CC1)n1cncn1
SubComponent,Substitute a hydroxyl in the molecule Nc1cc(Cl)ccc1C(O)c1cccnc1N with a halo.,Nc1cc(Cl)ccc1C(Br)c1cccnc1N
DelComponent,Please remove a CC(=O)NC1CC(c2nc(-c3ccccn3)no2)[NH+](C)C1 from the molecule amide.,C[NH+]1CCCC1c1nc(-c2ccccn2)no1
LogP,Optimize the molecule CC([NH3+])CCc1ccc(OCc2cccc(Cl)c2F)cc1 to have a lower LogP value.,CC([NH3+])CCc1ccc(OCc2cccc(O)c2F)cc1
MR,Optimize the molecule CN1c2ccccc2Sc2ccc(C#N)cc21 to have a lower MR value.,CN1c2ccccc2Sc2ccccc21
QED,Please modify the molecule C[NH+](CC(=O)Cc1ccccc1)C1CCCCCC1 to decrease its QED value.,CC(=O)C[NH+](C)C1CCCCCC1
AtomNum,"There is a molecule with 29 carbon atoms, and 5 oxygen atoms.",CC(C)CCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC(C)C
BondNum,"The molecule contains 13 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",CCNC(=O)Nc1cc2c(-c3ccnc(F)c3C)ccc(CNC(=O)OC)c2cn1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, and 1 amide group.",Cc1ccc(CCC(=O)NCCOC(=O)CC2CCCC2)cc1
AddComponent,Add a hydroxyl to the molecule COC(=O)c1cnc(N(C)Cc2scnc2C)s1.,COC(=O)c1cnc(N(C)Cc2sc(O)nc2C)s1
SubComponent,Modify the molecule halo by substituting a CCN(CC)c1nc(Cl)nc(NCc2nc3ccccc3[nH]2)n1 with a hydroxyl.,CCN(CC)c1nc(O)nc(NCc2nc3ccccc3[nH]2)n1
DelComponent,Remove a C=C1C[NH+]2CCC1C(=O)C2Nc1ccccc1 from the molecule amine.,C=C1C[NH+]2CCC1C(=O)C2c1ccccc1
LogP,Optimize the molecule CC1CC[NH+](C2CCCC(C)(C)C2O)CC1C to have a higher LogP value.,CC1CC[NH+](C2CCCC(C)(C)C2)CC1C
MR,Please optimize the molecule Cc1cc(Cl)ccc1Nc1ccnc(N(C)c2ccccc2)n1 to have a lower MR value.,Cc1cc(C#N)ccc1Nc1ccnc(N(C)c2ccccc2)n1
QED,Modify the molecule N#Cc1cc2c(nc1Sc1cccc(O)c1)CCC2 to have a lower QED value.,N#Cc1cccc(Sc2nc3c(cc2C#N)CCC3)c1
AtomNum,"The molecule contains 20 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",O=C(COC(=O)c1nccnc1-c1nc2ccccc2s1)Nc1ccc(F)cc1
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 9 rotatable bonds, and 23 aromatic bonds.",COc1cc(CNn2c(-c3ccccc3OC)n[nH]c2=S)ccc1OCc1ccc(Cl)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, 2 amine groups, 1 halo group, and 1 sulfone group.",NC(=[NH+]O)c1ccc(OC2CCS(=O)(=O)C2)c(F)c1
AddComponent,Please add a benzene ring to the molecule O=C(Cc1ccc2cc[nH]c2c1)NCCOCCO.,O=C(Cc1cc(-c2ccccc2)c2cc[nH]c2c1)NCCOCCO
SubComponent,Substitute a CN(Cc1cccc(C#N)c1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 in the molecule nitrile with a aldehyde.,CC(=O)c1cccc(CN(C)C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c1
DelComponent,Please remove a benzene ring from the molecule C[NH2+]CCc1ccc(COc2cncc(Br)c2)cc1.,C[NH2+]CCCOc1cncc(Br)c1
LogP,Please modify the molecule O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(C(=O)C[N+](=O)[O-])c(Cl)c1 to decrease its LogP value.,O=C(Cc1ccc(Cl)c(Cl)c1)N(Cl)C(=O)C[N+](=O)[O-]
MR,Modify the molecule Clc1ncnc2cc(OCC[NH+]3CCCC3)cc(N3CCOCC3)c12 to have a lower MR value.,c1ncc2c(N3CCOCC3)cc(OCC[NH+]3CCCC3)cc2n1
QED,Optimize the molecule Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3Cl)o2)c1 to have a lower QED value.,Cc1cc(OCc2nnc(SCC(=O)Nc3ccccc3Cl)o2)ccc1N
AtomNum,"The molecule contains 14 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",CCOc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cn1
BondNum,"There is a molecule with 11 single bonds, 2 double bonds, 1 rotatable bond, and 6 aromatic bonds.",O=C1CCN(c2c(F)c(F)cc(F)c2F)C(=O)N1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ketone group, and 1 amide group.",COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(CC(Cc2cc(Cl)ccc2F)C(=O)[O-])cc1.,Cc1ccc(CC(Cc2cc(Cl)ccc2F)C(=O)[O-])c(-c2ccccc2)c1
SubComponent,Modify the molecule O=S(=O)(CCO)c1ccc(-c2ccccc2)cc1 by substituting a hydroxyl with a nitro.,ONCCS(=O)(=O)c1ccc(-c2ccccc2)cc1
DelComponent,Please remove a amine from the molecule C=CCN1C(N)=[NH+]CC1(C)CCCC(F)(F)F.,C=CCN1C(N)CC1(C)CCCC(F)(F)F
LogP,Please optimize the molecule CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)C(C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1 to have a lower LogP value.,CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)C(C(=O)c2ccccc2)n2ccccc2=O)CC1
MR,Optimize the molecule Oc1cccc2ccc(-c3cnco3)nc12 to have a higher MR value.,Sc1cccc2ccc(-c3cnco3)nc12
QED,Optimize the molecule O=C(Nc1ccc(Cl)cc1)Nc1c(Cl)nsc1-c1ccccc1Cl to have a higher QED value.,O=C(Nc1ccc(Cl)cc1)Nc1cnsc1-c1ccccc1Cl
AtomNum,"There is a molecule with 22 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 3 sulfur atoms.",CN(C)S(=O)(=O)c1cccc(CSc2nc3scc(-c4ccccc4)c3c(=O)n2C)c1
BondNum,"Please generate a molecule with 8 single bonds, 1 double bond, 5 rotatable bonds, and 10 aromatic bonds.",C[NH+](CC(=O)c1cc(Cl)sc1Cl)Cc1ccoc1
FunctionalGroup,"The molecule is composed of 1 ester group, and 1 nitrile group.",C=CC(=CC(=C)C#N)[NH+]1CCCC(CC(=O)OC(C)(C)C)CC1
AddComponent,Please add a benzene ring to the molecule FCCOc1ccnc(C=Nc2ccccc2)c1.,FCCOc1cc(C=Nc2ccccc2)ncc1-c1ccccc1
SubComponent,Modify the molecule nitro by substituting a O=Cc1cc(N2CCc3ccccc32)ccc1[N+](=O)[O-] with a thiol.,O=Cc1cc(N2CCc3ccccc32)ccc1[SH]=O
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(Oc2ccc(CC(C)[NH3+])cn2)cc1.,COOc1ccc(CC(C)[NH3+])cn1
LogP,Please modify the molecule CC(C(=O)N1CCC1C(=O)Sc1ccccn1)N(C)C(=O)C(O)Cc1ccc(O)c(O)c1 to increase its LogP value.,CC(C(=O)N1CCC1C(=O)Sc1ccccn1)N(C)C(=O)C(Cl)Cc1ccc(O)c(O)c1
MR,Optimize the molecule C#CC([NH2+]CC)c1ccccc1Br to have a lower MR value.,C#CC([NH2+]CC)c1ccccc1C(=O)[OH]
QED,Modify the molecule S=c1[nH]nc(NCc2cc(Br)cs2)s1 to have a lower QED value.,N#Cc1csc(CNc2n[nH]c(=S)s2)c1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",CCCC(C)OC1CC2C(C1([NH3+])C(=O)OCC)C2(F)C(=O)OCC
BondNum,"The molecule contains 11 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCC[NH2+]C(c1cc(Br)ccc1C)C(C)CC
FunctionalGroup,The molecule contains and 1 amide group.,CC(C)C1CN(C(=O)c2ccc3[nH]ccc3c2)CCC[NH+]1CC1CC1
AddComponent,Modify the molecule O=[N+]([O-])c1ccc(C(O)C[NH+]2CCc3ccccc3C2)cc1 by adding a thiol.,O=[N+]([O-])c1ccc(C(O)C[NH+]2CCc3ccccc3C2)cc1S
SubComponent,Modify the molecule O=[N+]([O-])c1ccc(CNc2cc(Cl)nc(-c3ccccc3)n2)cc1 by substituting a halo with a carboxyl.,O=C([OH])c1cc(NCc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)n1
DelComponent,Please remove a CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2csc(-c3ccccc3)n2)ccc1C from the molecule benzene ring.,CCN(CC)S(=O)(=O)N(C)C(=O)Cc1csc(-c2ccccc2)n1
LogP,Optimize the molecule O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(N=C=S)cc21 to have a higher LogP value.,O=C1OC2(c3ccccc3Oc3cc(O)ccc32)c2ccc(N=C=S)cc21
MR,Modify the molecule COC(=O)c1c(Cl)c(Cl)cc(Cl)c1OCC(=O)N(C1CCCC1)C1CC1 to have a lower MR value.,COC(=O)c1c(C#N)c(Cl)cc(Cl)c1OCC(=O)N(C1CCCC1)C1CC1
QED,Optimize the molecule CCCCC[NH2+]CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-] to have a higher QED value.,CCCCC([NH2+]CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])c1ccccc1
AtomNum,"The molecule is composed of 18 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",O=C(c1ccccn1)N1CCC2C[NH+](Cc3ccncc3)C2C1
BondNum,"There is a molecule composed of 15 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CCCCn1ncc(NC2C([NH3+])CC2OCC)c(Cl)c1=O
FunctionalGroup,The molecule has and 1 amide group.,CC(COCC(=O)[O-])C(N)=O
AddComponent,Modify the molecule COCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)C(C)(C)CCl by adding a hydroxyl.,COCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)C(C)(CO)CCl
SubComponent,Modify the molecule CCc1ccc(Cc2cc(C3SC(CO)C(O)C(O)C3O)c(OC)cc2Cl)cc1 by substituting a hydroxyl with a aldehyde.,CC(=O)CC1SC(c2cc(Cc3ccc(CC)cc3)c(Cl)cc2OC)C(O)C(O)C1O
DelComponent,Please remove a hydroxyl from the molecule Cc1ccc(CC(CO)c2cccs2)cc1.,Cc1ccc(CC(C)c2cccs2)cc1
LogP,Please modify the molecule COc1ccc(C[NH2+]C2CCCc3ccc(O)cc32)cc1 to decrease its LogP value.,COC[NH2+]C1CCCc2ccc(O)cc21
MR,Modify the molecule CN(C)c1cccc(NCC(=O)N2CCCCCC2)c1 to increase its MR value.,CN(Cc1ccccc1)c1cccc(NCC(=O)N2CCCCCC2)c1
QED,Please optimize the molecule CC(C)CC1CCCCN1C(=O)Nc1cccc(C#N)c1 to have a lower QED value.,CC(=O)c1cccc(NC(=O)N2CCCCC2CC(C)C)c1
AtomNum,"Please generate a molecule composed of 5 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 sulfur atoms.",CS(=O)Cc1csc(N)n1
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",O=C(CC[NH2+]CCc1cccc(Cl)c1)Nc1ccccc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 sulfone group.",CCCCCCCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])cc1
AddComponent,Modify the molecule CCOC(=O)C1=Cc2cc(N3CCOCC3)ccc2OCC1 by adding a amine.,CC(N)OC(=O)C1=Cc2cc(N3CCOCC3)ccc2OCC1
SubComponent,Modify the molecule hydroxyl by substituting a Nc1cc(Oc2ccccc2O)ccc1[N+](=O)[O-] with a nitro.,Nc1cc(Oc2ccccc2NO)ccc1[N+](=O)[O-]
DelComponent,Modify the molecule halo by removing a Cc1cc(OCCC(=O)Cl)ccc1C(C)C.,Cc1cc(OCCC=O)ccc1C(C)C
LogP,Modify the molecule CC[NH2+]CCC[NH+](C)Cc1ccc(Cl)cc1 to have a lower LogP value.,CC[NH2+]CCC[NH+](C)Cc1ccc(O)cc1
MR,Modify the molecule COc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 to have a higher MR value.,COc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1c1ccccc1
QED,Modify the molecule CCC1OC(=O)C(C)C(C2CC(C)(OC)CC(C)O2)C(C)CC(C)(O)CC(C)C[NH+](C)C(C)C(O)C1(C)O to have a lower QED value.,CCC1(O)OC(=O)C(C)C(C2CC(C)(OC)CC(C)O2)C(C)CC(C)(O)CC(C)C[NH+](C)C(C)C(O)C1(C)O
AtomNum,"There is a molecule consisting of 19 carbon atoms, 6 oxygen atoms, 5 nitrogen atoms, and 1 fluorine atom.",O=C([O-])CC(NC(=O)c1c[nH+]c2cc([N+](=O)[O-])ccc2c1N1CC[NH2+]CC1)C(=O)CF
BondNum,"There is a molecule with 15 single bonds, 2 double bonds, 3 rotatable bonds, and 10 aromatic bonds.",NC(=O)c1ccc(N2CCCCC2)c2c(OC(=O)C(F)(F)F)c[nH]c12
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 3 amine groups.",CCc1ccc(NC(N)=[NH+]CC(C)c2nc(-c3ccccc3)no2)cc1
AddComponent,Please add a carboxyl to the molecule CC(CNS(=O)(=O)c1cc(CO)cc(F)c1F)[NH+](C)C.,CC(CNS(=O)(=O)c1cc(CO)cc(F)c1F)[NH+](C)CC(=O)O
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)OCCC[NH2+]Cc1ccc(O)c(Cl)c1 with a thiol.,CC(C)OCCC[NH2+]Cc1ccc(S)c(Cl)c1
DelComponent,Remove a hydroxyl from the molecule CC([NH2+]C1c2ccccc2CC1O)c1ccc2[nH]c(=O)[nH]c2c1.,CC([NH2+]C1CCc2ccccc21)c1ccc2[nH]c(=O)[nH]c2c1
LogP,Please modify the molecule CCOC=Cc1cc(N)c(Cl)c(C(=O)OC)[nH+]1 to decrease its LogP value.,CCOC=Cc1cc(N)c(NO)c(C(=O)OC)[nH+]1
MR,Modify the molecule C[NH+](CC(=O)Nc1cc(C(C)(C)C)no1)CC(=O)Nc1ccccc1Br to have a lower MR value.,C[NH+](CC(=O)Nc1cc(C(C)(C)C)no1)CC(=O)Nc1ccccc1NO
QED,Please modify the molecule Cc1onc(-c2ccc3c(c2)ncc2cc(C4(C(=O)[O-])CC4)ccc23)c1NC(=O)OC(C)c1ccccc1 to increase its QED value.,CCOC(=O)Nc1c(-c2ccc3c(c2)ncc2cc(C4(C(=O)[O-])CC4)ccc23)noc1C
AtomNum,"Please generate a molecule consisting 11 carbon atoms, and 3 oxygen atoms.",CC(=O)c1ccc2c(c1O)C(C)CO2
BondNum,"There is a molecule consisting of 9 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCCn1cc(C(Cc2cccc(Br)c2)[NH2+]C)cn1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 3 halo groups.",COc1ccc2[nH]cc(C(=O)Nc3ccc(N4C5CCC4CC5)cc3C(F)(F)F)c(=O)c2c1
AddComponent,Please add a carboxyl to the molecule Cc1cc(C)cc(CC(C)CC[NH2+]CC(C)C)c1.,Cc1cc(C)cc(CC(C)(CC[NH2+]CC(C)C)C(=O)O)c1
SubComponent,Substitute a halo in the molecule Nc1ccc(NC2CCCC2)c(Br)c1 with a nitro.,Nc1ccc(NC2CCCC2)c(NO)c1
DelComponent,Remove a COc1cc(F)c(C(=O)NC2CC[NH2+]CC2O)c(F)c1 from the molecule hydroxyl.,COc1cc(F)c(C(=O)NC2CC[NH2+]CC2)c(F)c1
LogP,Please modify the molecule O=C(Cc1ccccc1Cl)N1CCN(C(=O)C2CCOC2)CC1 to increase its LogP value.,O=C(Cc1ccccc1Cl)N1CCC(C2CCO2)C1
MR,Modify the molecule NC(=S)c1ccc(N2CCCC(CCO)C2)c(F)c1F to increase its MR value.,NC(=S)c1cc(N)c(N2CCCC(CCO)C2)c(F)c1F
QED,Please optimize the molecule CCC(C)C1NC(=O)CN(C2CCCC2(C)C)C1=O to have a lower QED value.,CCC(C)(O)C1NC(=O)CN(C2CCCC2(C)C)C1=O
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 fluorine atoms.",CC(C)(CCc1ccccc1)NC(=O)Oc1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
BondNum,"The molecule consists of 7 single bonds, 2 double bonds, 6 rotatable bonds, and 22 aromatic bonds.",Cn1c(=O)[nH]c(=O)c2[nH]c(C[NH+](Cc3ccccc3)Cc3ccccc3)nc21
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 ketone group, and 1 halo group.",CC(C)Cc1noc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)n1
AddComponent,Modify the molecule CCOC(=O)CCCn1c(O)c(Cc2ccc(-c3ccc(Cl)cc3)o2)sc1=S by adding a amine.,CCOC(=O)CCCn1c(O)c(Cc2ccc(-c3ccc(Cl)cc3N)o2)sc1=S
SubComponent,Modify the molecule CC(C)Cn1ncnc1C[NH+](C)C1CCCCC1Br by substituting a halo with a hydroxyl.,CC(C)Cn1ncnc1C[NH+](C)C1CCCCC1O
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(-n2nc3c(c2NC(=O)Cc2cccc4ccccc24)CSC3)c(C)c1.,CCn1nc2c(c1NC(=O)Cc1cccc3ccccc13)CSC2
LogP,Please modify the molecule CCC(C)(C)NC(=O)CC[NH2+]C to increase its LogP value.,CCC(C)(C)C[NH2+]C
MR,Modify the molecule CCC(C)C(C)NCC(F)(F)C(F)F to have a higher MR value.,CCC(C)C(CC(=O)O)NCC(F)(F)C(F)F
QED,Please modify the molecule Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c(Cl)c1 to decrease its QED value.,Cc1cc(C)c(NC(=O)c2c(C)ccc(S(=O)(=O)N(C)C)c2O)c(Cl)c1
AtomNum,"There is a molecule composed of 19 carbon atoms, and 2 oxygen atoms.",O=C(c1ccc2c(c1)CCO2)C1C2CC3CC(C2)CC1C3
BondNum,"The molecule has 8 single bonds, 6 rotatable bonds, and 21 aromatic bonds.",Cc1oc(-c2ccsc2)nc1C[NH+](C)Cc1ccc(-n2cccn2)cc1
FunctionalGroup,Please generate a molecule consisting and 1 hydroxyl group.,CCc1cc2c(C[NH+]3CCCCC3C3OCCO3)cc(=O)oc2cc1O
AddComponent,Please add a aldehyde to the molecule CCC[NH2+]CC(O)COc1cc(Br)cc([N+](=O)[O-])c1.,CCC[NH2+]CC(O)COc1cc(Br)cc([N+](=O)[O-])c1CC=O
SubComponent,Please substitute a CCOc1cc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(C)cc(C)cc3s2)ccc1O in the molecule hydroxyl with a thiol.,CCOc1cc(C2C(C(=O)c3cc4ccccc4o3)=C(S)C(=O)N2c2nc3c(C)cc(C)cc3s2)ccc1O
DelComponent,Modify the molecule benzene ring by removing a CC(Sc1cccc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)c1)C(=O)Nc1nc2ccccc2s1.,CC(Sc1cccc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC=O)c1)C(=O)Nc1nc2ccccc2s1
LogP,Please modify the molecule Cc1nn(CCO)cc1C[NH+]1CCCC(c2nnc(C[NH+](C)C)n2C)C1 to increase its LogP value.,Cc1nn(CCC(=O)[OH])cc1C[NH+]1CCCC(c2nnc(C[NH+](C)C)n2C)C1
MR,Please modify the molecule Cc1csc(C(C)Nc2cccc(F)n2)n1 to increase its MR value.,Cc1csc(C(C)Nc2cccc(NO)n2)n1
QED,Modify the molecule COC(=O)CCCCCCCCc1cnc(C=C(C)CC2OCC(CC3OC3C(C)C(C)O)C3OC(OC)OC23)o1 to decrease its QED value.,COC(=O)CCCCCCCCc1cnc(C=C(C)CC2OCC(CC3OC3(c3ccccc3)C(C)C(C)O)C3OC(OC)OC23)o1
AtomNum,"The molecule has 24 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cc1cscc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(C(=O)[O-])cnn12
BondNum,"The molecule contains 9 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC[NH2+]C(c1ccc(F)c(Br)c1)c1cc(Br)ccc1C
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 1 thioether group, and 1 sulfide group.",O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)NCCc1ccccc1
AddComponent,Add a benzene ring to the molecule Nc1cccc(C2CC[NH2+]CC2)n1.,Nc1nc(C2CC[NH2+]CC2)ccc1-c1ccccc1
SubComponent,Please substitute a CCCCNC(=O)C(c1ccccc1O)N(C(=O)CNC(=O)OC(C)(C)C)C(C)(C)C in the molecule hydroxyl with a aldehyde.,CC(=O)c1ccccc1C(C(=O)NCCCC)N(C(=O)CNC(=O)OC(C)(C)C)C(C)(C)C
DelComponent,Modify the molecule C=C(CCc1ccc(C2=C(CC)c3ccc(C(C)C)cc3CC(CC3CC3)=C2)nc1)C(CF)CF by removing a halo.,C=C(CCc1ccc(C2=C(CC)c3ccc(C(C)C)cc3CC(CC3CC3)=C2)nc1)C(C)CF
LogP,Modify the molecule CSc1ccc(C[NH2+]CCN(C)C2CCCC2)cc1 to have a lower LogP value.,CSC[NH2+]CCN(C)C1CCCC1
MR,Please modify the molecule CCC(=O)NCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1 to increase its MR value.,CCC(=O)NCCCC(O)CC(=O)Nc1ccc(-c2ccccc2)cc1
QED,Please modify the molecule CSc1cccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)c1 to decrease its QED value.,CSc1cccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2C(=O)[OH])c1
AtomNum,"There is a molecule composed of 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(C)NC(=O)c1ncc2cc(Sc3ccccc3)ccc2c1O
BondNum,"Please generate a molecule with 11 single bonds, 2 double bonds, 4 rotatable bonds, and 17 aromatic bonds.",O=C(NNC(=O)C1(c2ccccc2)CC1)c1ccc(-c2ccc(F)cc2)s1
FunctionalGroup,"Please generate a molecule consisting 2 amide groups, and 1 sulfide group.",CC(Cc1cscn1)C(=O)N(C)CC(=O)N(C)C
AddComponent,Modify the molecule CCCCCCCCCCCCCCCC=CC[N+](CC(=O)[O-])(CC(=O)[O-])CC(=O)[O-] by adding a carboxyl.,CCCCCCCCCCCC(CCCC=CC[N+](CC(=O)[O-])(CC(=O)[O-])CC(=O)[O-])C(=O)O
SubComponent,Substitute a halo in the molecule [C-]#[N+]C1(Nc2ccccc2OC)CCN(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)CC1 with a thiol.,[C-]#[N+]C1(Nc2ccccc2OC)CCN(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2S)CC1
DelComponent,Remove a amine from the molecule C=C(NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(CO)NC(=O)C1CSCCC2NC(=O)C(C)NC(=O)C(NC(=O)C(CCCC[NH3+])NC(=O)C(CCSC)NC(=O)C(CC(N)=O)NC(=O)C3CSCCC(NC(=O)C(CCCC[NH3+])NC(=O)C4CSCCC(NC(=O)C5CSCC(NC(=O)C(=CC)NC(=O)C([NH3+])C(C)CC)C(=O)NC(C(C)CC)C(=O)NC(=C)C(=O)NC(CC(C)C)C(=O)N5)C(=O)N5CCCC5C(=O)NCC(=O)N4)C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NCC(=O)N3)CCSCC(NC2=O)C(=O)NC(Cc2cnc[nH]2)C(=O)N1)C(C)CC)C(C)C)C(=O)NC(CCCC[NH3+])C(=O)NCC1=CN(CCCOCCOCCOCCCNS(=O)(=O)c2ccc3c(N(C)C)cccc3c2)NN1.,C=C(NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(CO)NC(=O)C1CSCCC2NC(=O)C(C)NC(=O)C(NC(=O)C(CCCC[NH3+])NC(=O)C(CCSC)NC(=O)C(CC(N)=O)NC(=O)C3CSCCC(NC(=O)C(CCCC[NH3+])NC(=O)C4CSCCC(NC(=O)C5CSCC(NC(=O)C(=CC)NC(=O)C([NH3+])C(C)CC)C(=O)NC(C(C)CC)C(=O)NC(=C)C(=O)NC(CC(C)C)C(=O)N5)C(=O)N5CCCC5C(=O)NCC(=O)N4)C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NCC(=O)N3)CCSCC(NC2=O)C(=O)NC(Cc2cnc[nH]2)C(=O)N1)C(C)CC)C(C)C)C(=O)NC(CCCC[NH3+])C(=O)NCC1=CN(CCCOCCOCCOCCCNS(=O)(=O)c2ccc3c(N(C)C)cccc3c2)N1
LogP,Please optimize the molecule CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2ccccc2oc1=O to have a lower LogP value.,CC[NH+](CC)CCNC(=O)c1cc2ccccc2oc1=O
MR,Please optimize the molecule COc1ccc(S(=O)(=O)NC(C)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1 to have a higher MR value.,COc1ccc(S(=O)(=O)NC(C)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C(=O)[OH])cc1
QED,Please optimize the molecule OCC1([NH2+]C2CC2)CCC(Sc2cccc(Cl)c2)C1 to have a lower QED value.,OCC1([NH2+]C2CC2)CCC(Sc2cccc(O)c2)C1
AtomNum,"The molecule contains 10 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCOC(=O)CCNC(=O)CSCCOC
BondNum,"Please generate a molecule consisting 13 single bonds, 2 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CC(C)(C)[Si](OCCCS(=O)(=O)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 sulfide group.",O=C(Nc1ccnc2ccnn12)c1cc(-c2ccccc2)c(N2CCOCC2)s1
AddComponent,Add a benzene ring to the molecule CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1c(C#N)cccc1O2.,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1c(C#N)cc(-c3ccccc3)cc1O2
SubComponent,Please substitute a halo in the molecule Cc1cc(-c2ncc(Cl)cc2F)cc(C)c1C1C(=O)CC(CC(=O)NC2CCCC2)C1=O with a carboxyl.,Cc1cc(-c2ncc(C(=O)[OH])cc2F)cc(C)c1C1C(=O)CC(CC(=O)NC2CCCC2)C1=O
DelComponent,Please remove a halo from the molecule CCCCCC(=O)Nc1nc(Cl)ccc1[N+](=O)[O-].,CCCCCC(=O)Nc1ncccc1[N+](=O)[O-]
LogP,Modify the molecule OCc1cc(F)cc(Oc2cccc3ncccc23)c1 to have a lower LogP value.,N#Cc1cc(CO)cc(Oc2cccc3ncccc23)c1
MR,Modify the molecule C[NH+]=C(NCCc1ncc(C)s1)NCC1(c2ccc(F)cc2)CCCC1 to decrease its MR value.,Cc1cnc(CCNC(C)NCC2(c3ccc(F)cc3)CCCC2)s1
QED,Optimize the molecule Cc1ccc(N2CC(C(=O)OCC(=O)c3cc(C)n(-c4nccs4)c3C)CC2=O)cc1 to have a higher QED value.,Cc1cc(C(=O)COC(=O)C2CC(=O)N(C)C2)c(C)n1-c1nccs1
AtomNum,"The molecule is composed of 18 carbon atoms, 3 oxygen atoms, 1 sulfur atom, and 3 fluorine atoms.",CSc1ccc(OC(=O)C2=Cc3ccccc3OC2C(F)(F)F)cc1
BondNum,"There is a molecule with 6 single bonds, 2 rotatable bonds, and 17 aromatic bonds.",Cc1cccc(-c2c(N)noc2-c2ccc(Cl)cc2Br)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 halo group.",Cc1cc(C[NH+]2CCN(C(=O)NCCc3cccc(Cl)c3)CC2)on1
AddComponent,Please add a benzene ring to the molecule CC([NH3+])=CC(=N)c1ccc(C)nc1.,CC([NH3+])=CC(=N)c1ccc(C)nc1-c1ccccc1
SubComponent,Substitute a halo in the molecule CCCC[Ge](CCCC)(CCCC)c1cccc(Cl)c1N with a carboxyl.,CCCC[Ge](CCCC)(CCCC)c1cccc(C(=O)[OH])c1N
DelComponent,Remove a benzene ring from the molecule COc1cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)c(C)c2)cc(OC)c1OC.,CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cc(OC)c(OC)c(OC)c1
LogP,Modify the molecule CNC(=O)c1ccc(O)c(O)c1Cl to decrease its LogP value.,CNC(=O)c1ccc(C(=O)[OH])c(O)c1Cl
MR,Modify the molecule CCc1[nH+]ccn1CCCNC(=O)C1CCCN1S(C)(=O)=O to increase its MR value.,CCc1[nH+]c(-c2ccccc2)cn1CCCNC(=O)C1CCCN1S(C)(=O)=O
QED,Modify the molecule C[Si]1(O)O[Si]2(C)O[Si]3(C)O[Si](C)(O)O[Si]4(C)O[Si](C)(O2)O[Si](C)(O1)O[Si](C)(O3)O4 to decrease its QED value.,C[Si]1(O)O[Si]2(C)O[Si]3(C)O[Si]4(C)O[Si](C)(O)O[Si](CN)(O[Si](C)(O1)O3)O[Si](C)(O2)O4
AtomNum,"The molecule contains 19 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 3 fluorine atoms.",N#Cc1ccnc(-n2nc(C(=O)NC(CO)CCC(F)(F)F)c3c2C2CC2C3)c1
BondNum,"Please generate a molecule composed of 20 single bonds, 1 double bond, 12 rotatable bonds, and 24 aromatic bonds.",CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(C=Nc3ccc4c(c3)Cc3ccccc3-4)cc21
FunctionalGroup,"The molecule has 2 amine groups, and 1 sulfone group.",CCCNCCS(=O)(=O)Nc1ccc(C)nc1
AddComponent,Add a carboxyl to the molecule CCCSc1nnc(NC(=O)c2c(C)noc2-c2ccc(Cl)cc2)s1.,CCC(Sc1nnc(NC(=O)c2c(C)noc2-c2ccc(Cl)cc2)s1)C(=O)O
SubComponent,Please substitute a CC(=O)OCc1nc2c([N+](=O)[O-])c(Br)ccc2n1C in the molecule halo with a carboxyl.,CC(=O)OCc1nc2c([N+](=O)[O-])c(C(=O)[OH])ccc2n1C
DelComponent,Please remove a benzene ring from the molecule C[NH2+]Cc1cnc(-c2ccccc2OC(F)(F)F)s1.,C[NH2+]Cc1cnc(OC(F)(F)F)s1
LogP,Modify the molecule Nc1cc(Cl)cc2ncn(CCO)c12 to have a lower LogP value.,Nc1cccc2ncn(CCO)c12
MR,Optimize the molecule CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=C1SC(=O)N(CC(=O)Nc2ccccc2N2CCOCC2)C1=O to have a higher MR value.,CCOc1ccc(C23CC4CC(C2)C(c2ccccc2)C(C4)C3)cc1C=C1SC(=O)N(CC(=O)Nc2ccccc2N2CCOCC2)C1=O
QED,Please modify the molecule CC(C)(C)OCCC1CN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2Cl)CO1 to increase its QED value.,CC(C)(C)OCCC1CN(Cl)C(c2ccc(Cl)cc2Cl)CO1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",FC(F)(F)c1ccc(Cc2nc(-c3cccs3)n[nH]2)cc1
BondNum,"The molecule has 11 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",OC(CSc1ccc(Br)cc1)C1CCOC1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, 1 nitro group, and 1 nitrile group.",C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1
AddComponent,Modify the molecule CC[NH+](CC)C(CNC(=O)Nc1cccc(S(=O)(=O)CC)c1)c1ccccc1 by adding a benzene ring.,CC[NH+](CC)C(CNC(=O)Nc1cccc(S(=O)(=O)CC)c1)c1ccccc1-c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule COC(=O)C(C)n1c(C#N)nc2cc(O)ccc21 with a thiol.,COC(=O)C(C)n1c(C#N)nc2cc(S)ccc21
DelComponent,Modify the molecule COCCC1(C)C(=CC=CC=CC(=[N+](C)CCO)C(C)(CCCS(=O)(=O)O)c2cc(S(=O)(=O)O)ccc2C)N(CCOCCC(=O)ON2C(=O)CCC2=O)c2ccc(S(=O)(=O)O)cc21 by removing a benzene ring.,COCCC1(C)C(=CC=CC=CC(=[N+](C)CCO)C(C)(CCCS(=O)(=O)O)CS(=O)(=O)O)N(CCOCCC(=O)ON2C(=O)CCC2=O)c2ccc(S(=O)(=O)O)cc21
LogP,Please optimize the molecule FC1(F)CC1c1ccc2c(c1)CCN2 to have a lower LogP value.,FC1CC1c1ccc2c(c1)CCN2
MR,Please modify the molecule CCCNc1ncc(C[NH+](C)C2CCCCC2O)s1 to increase its MR value.,CCCNc1ncc(C[NH+](C)C2(O)CCCCC2O)s1
QED,Please modify the molecule CCC(=O)NCCCCB(O)O to decrease its QED value.,CCC(=O)NCCCCB(O)S
AtomNum,"There is a molecule composed of 15 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COC(=O)C(Cc1ccc2cc(OC)ccc2c1)ON
BondNum,"The molecule consists of 9 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",OCC(CO)(CO)Nc1ccc(Br)cn1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 amine group.",NNC(=O)CC([NH3+])c1ccc2[nH]c(=O)[nH]c2c1
AddComponent,Please add a hydroxyl to the molecule CCOc1ccccc1OCC(=O)Nc1ccccc1N1CC[NH+](CC)CC1.,CCOc1ccccc1OCC(=O)Nc1ccccc1N1CC[NH+](CC)C(O)C1
SubComponent,Please substitute a C[NH+](CCCCCO)Cc1ccc(-n2cccn2)cc1 in the molecule hydroxyl with a aldehyde.,CC(=O)CCCCC[NH+](C)Cc1ccc(-n2cccn2)cc1
DelComponent,Remove a benzene ring from the molecule C=CCc1cc(OC)c(Oc2ccccc2C)nn1.,C=CCc1cc(OC)c(OC)nn1
LogP,Please optimize the molecule CC1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nc(-c2cccs2)nc2ccccc12 to have a higher LogP value.,CC1c2ccccc2N1C(=O)CN(C)c1nc(-c2cccs2)nc2ccccc12
MR,Modify the molecule O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCCCC1C(F)(F)F to increase its MR value.,O=C(CNS(=O)(=O)c1ccccc1)N1CCCCC1C(F)(F)F
QED,Modify the molecule COC(=O)CCCC=C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C to have a lower QED value.,COC(=O)CCCC=C(C)C1CCC2C3CC=C4CCCCC4(C)C3CCC12C
AtomNum,"There is a molecule with 12 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",C=NOCC[NH+](CCCCCCON)C(C)ON=C
BondNum,"There is a molecule with 14 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CC(=O)Oc1ccc(C(=O)N2CCCCC(c3ccc(F)cc3)C2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, and 4 halo groups.",C=C(C)NOCCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl
AddComponent,Please add a hydroxyl to the molecule O=C(CC1CCOCC1)NCCc1ccon1.,O=C(CC1CCOCC1)NCCc1cc(O)on1
SubComponent,Please substitute a Cc1ccc(-c2ccc(C(=O)N(C)C3CCS(=O)(=O)C3)o2)cc1Cl in the molecule halo with a thiol.,Cc1ccc(-c2ccc(C(=O)N(C)C3CCS(=O)(=O)C3)o2)cc1S
DelComponent,Remove a benzene ring from the molecule O=C(CS(=O)CCCc1ccccc1)c1ccc(Cl)cc1.,O=C(Cl)CS(=O)CCCc1ccccc1
LogP,Please optimize the molecule CCCC(=O)OC(C)c1ccc(Cl)cc1 to have a lower LogP value.,CCCC(=O)OC(C)c1ccccc1
MR,Optimize the molecule CC(=O)OCC(=O)C(CC(=O)[O-])NC(=O)CCCC(N)=O to have a lower MR value.,CC(=O)OCC(=O)C(CCC(N)=O)CC(=O)[O-]
QED,Modify the molecule CC(=O)Nc1ccc(SCc2nnc(-c3ccccc3Br)o2)cc1 to increase its QED value.,CC(=O)Nc1ccc(SCc2nnc(Br)o2)cc1
AtomNum,"The molecule has 32 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)CC1(C(=O)OC(C)(C)C)CC(C(N)=O)C(c2nc3ccccc3s2)N1C(=O)c1ccc(C(C)(C)C)cc1
BondNum,"Please generate a molecule consisting 19 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",CCNC(=[NH+]CCc1ccc(O)c(OC)c1)N1CCN(c2cc(F)ccc2F)CC1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ester group, 1 nitro group, and 1 halo group.",COC(=O)CCCCCCCCCCCOCC(COP(=O)(OCCc1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl)OC
AddComponent,Modify the molecule CC1CCCN1C(=O)c1nc(C(=O)NCC2(O)COC2)sc1-c1cnc(NC2CCCC2)cc1C(F)F by adding a hydroxyl.,O=C(NCC1(O)COC1)c1nc(C(=O)N2CCCC2CO)c(-c2cnc(NC3CCCC3)cc2C(F)F)s1
SubComponent,Substitute a Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2cccc(-c3ccc(C4OC(C[NH+](C)Cc5ccccc5)CC(c5ccc(CO)cc5)O4)cc3)c2)cc1 in the molecule hydroxyl with a nitro.,Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2cccc(-c3ccc(C4OC(C[NH+](C)Cc5ccccc5)CC(c5ccc(CNO)cc5)O4)cc3)c2)cc1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(C)cc1C[NH+]1CCC2[NH2+]CCC2C1.,COCC[NH+]1CCC2[NH2+]CCC2C1
LogP,Modify the molecule CC1OCCC1(O)CNC(=O)C1=COCCO1 to increase its LogP value.,CC1OCCC1(O)C(NC(=O)C1=COCCO1)c1ccccc1
MR,Optimize the molecule Cc1cc(C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)no1 to have a lower MR value.,Cc1cc(C(=O)N2CCC3C4CC5CC(C4)C3C5CC2)no1
QED,Modify the molecule Clc1ccc(-n2nc(-c3cc(Cl)ccc3Cl)c3c2NCC3)c(Cl)c1 to increase its QED value.,Oc1ccc(-n2nc(-c3cc(Cl)ccc3Cl)c3c2NCC3)c(Cl)c1
AtomNum,"The molecule contains 18 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CCC[NH2+]C(C)c1csc(Nc2ccc(OCC(C)C)cc2)n1
BondNum,"Please generate a molecule composed of 17 single bonds, 3 double bonds, and 5 rotatable bonds.",CC(C)(C)OC(=O)CC(NC(=O)CBr)C(=O)OC(C)(C)C
FunctionalGroup,"The molecule contains 2 benzene ring groups, 4 amide groups, and 2 halo groups.",CCCNC(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(C)c(F)c3)C(C)C)CC2)ccc1Cl
AddComponent,Modify the molecule CCc1ccccc1OC(C)(C)CCC(=O)[O-] by adding a hydroxyl.,CCc1cc(O)ccc1OC(C)(C)CCC(=O)[O-]
SubComponent,Modify the molecule Cc1cncc2c1c(Nc1ccc(Cl)c(C(F)(F)F)c1)nc1cc(C(=O)[O-])ccc12 by substituting a halo with a nitro.,Cc1cncc2c1c(Nc1ccc(NO)c(C(F)(F)F)c1)nc1cc(C(=O)[O-])ccc12
DelComponent,Modify the molecule benzene ring by removing a C#CN(C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(CC)cc1.,C#CN(C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C(=O)NC(C)C(=O)OC(C)(C)C)c1ccc(CC)cc1
LogP,Optimize the molecule O=C([O-])C=Cc1ccc(O)c(OO)c1 to have a higher LogP value.,O=C([O-])C=Cc1cc(OO)c(O)c(-c2ccccc2)c1
MR,Modify the molecule COc1cc(C[NH2+]CC2CCSCC2)ccc1C#N to have a higher MR value.,CC(=O)c1ccc(C[NH2+]CC2CCSCC2)cc1OC
QED,Please optimize the molecule COc1ccc(NC(=O)C(Sc2cccc(NC(=O)C(=Cc3cccc(OC)c3OC)NC(=O)c3ccccc3)c2)c2ccccc2)cc1Cl to have a lower QED value.,COc1ccc(NC(=O)C(Sc2cccc(NC(=O)C(=Cc3cccc(OC)c3OC)NC(=O)c3ccccc3)c2)c2ccccc2)cc1O
AtomNum,"The molecule is composed of 61 carbon atoms, and 6 oxygen atoms.",CCC(C)CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C
BondNum,"There is a molecule with 26 single bonds, and 5 rotatable bonds.",FC(F)C(F)C(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 amide group, and 1 sulfone group.",COc1ccc(OCCNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1
AddComponent,Add a aldehyde to the molecule CC(C)c1ccc(CNC(=O)C2CN(c3nc4ccccc4s3)CCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1.,CC(C)c1ccc(CNC(=O)C2CN(c3nc4ccccc4s3)CCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(CC=O)c1
SubComponent,Modify the molecule CCCCC([NH2+]CC)c1ccncc1F by substituting a halo with a carboxyl.,CCCCC([NH2+]CC)c1ccncc1C(=O)[OH]
DelComponent,Modify the molecule CCC(CC)c1cccc(C(=O)C(=O)[O-])c1 by removing a benzene ring.,CCC(CC)C(=O)C(=O)[O-]
LogP,Please modify the molecule CC(Cl)N1CCC([NH+]=CN)CC1 to decrease its LogP value.,CCN1CCC([NH+]=CN)CC1
MR,Optimize the molecule COc1ccccc1CC(C)(CO)[NH2+]Cc1ccccc1 to have a higher MR value.,CC(CO)(Cc1ccccc1OCS)[NH2+]Cc1ccccc1
QED,Optimize the molecule CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C1CCC[NH2+]1)C(=O)[O-] to have a higher QED value.,CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)C1CC[NH2+]1)C(=O)[O-]
AtomNum,"The molecule is composed of 12 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",COCc1cccc(Nc2cc(N)nc(N)n2)c1
BondNum,"The molecule consists of 78 single bonds, 3 double bonds, and 63 rotatable bonds.",CCCCCCCCCCCC(CCCCCCCCCCC)(C(=O)[O-])C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCON1C(O)C(C)OC(COP(=O)([O-])OC)C1O
FunctionalGroup,"The molecule contains 3 hydroxyl groups, 1 ketone group, 2 ester groups, and 1 amide group.",CON=C1CC(C)OC(OC2C(C)CC(C)(O)C(=O)C(C)C(OC(=O)CC(C)C)C(C)C(C(C)COC3OC(C)C(O)C(OC)C3OC)OC(=O)C(C)C(OC3CC(C)[NH+](C4CC(NC(=O)c5cnccn5)C4)CC(C)O3)C2C)C1O
AddComponent,Please add a benzene ring to the molecule CCc1c(C(CC)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccnc1Oc1cccc(N2CC[NH+](C)CC2)c1.,CCC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccnc(Oc2cccc(N3CC[NH+](C)CC3)c2)c1CCc1ccccc1
SubComponent,Please substitute a halo in the molecule Nc1cc([N+](=O)[O-])cc(-c2cccc(Cl)c2Cl)n1 with a thiol.,Nc1cc([N+](=O)[O-])cc(-c2cccc(S)c2Cl)n1
DelComponent,Remove a amine from the molecule CN(C)C=[NH+]c1nc(C(=O)NC2CC2)cs1.,CN(C)Cc1nc(C(=O)NC2CC2)cs1
LogP,Modify the molecule COC1CCCN(c2nc3ccccc3cc2C(N)=[NH2+])C1 to increase its LogP value.,COC1CCCN(c2nc3ccccc3cc2CN)C1
MR,Please optimize the molecule COc1cc(SC)ccc1NC(=O)N1CC(C(=O)[O-])C(C(F)(F)F)C1 to have a lower MR value.,CON(SC)C(=O)N1CC(C(=O)[O-])C(C(F)(F)F)C1
QED,Please modify the molecule O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F to increase its QED value.,O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)C(F)(F)F
AtomNum,"Please generate a molecule with 20 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCS(=O)(=O)N(C)c1ccc(C(=O)NC(C)CCc2ccccc2)cc1
BondNum,"The molecule contains 13 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC1CC(OC(=O)c2nc(Cl)ccc2Cl)CC(C)O1
FunctionalGroup,"The molecule has 1 benzene ring group, and 2 halo groups.",CC[NH2+]C(Cc1c(F)cccc1Cl)c1ccncc1OC
AddComponent,Modify the molecule Cc1cc(CNC(=O)CCCCC(=O)[O-])ccc1Oc1ccc(F)cc1 by adding a hydroxyl.,Cc1cc(CNC(=O)CCCCC(=O)[O-])ccc1Oc1ccc(F)cc1O
SubComponent,Please substitute a halo in the molecule Cc1ccc(-n2c(COc3ccccc3)nnc2SCc2c(Cl)cccc2Cl)cc1 with a hydroxyl.,Cc1ccc(-n2c(COc3ccccc3)nnc2SCc2c(O)cccc2Cl)cc1
DelComponent,Remove a Cc1cc(=O)cc(C)n1C1(C#N)CC[NH+](C)CC1 from the molecule nitrile.,Cc1cc(=O)cc(C)n1C1CC[NH+](C)CC1
LogP,Optimize the molecule C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)C(O)CC(=O)C2(C)CC2)CC(C)CC1C to have a higher LogP value.,C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)C(CC(=O)C2(C)CC2)C(=O)[OH])CC(C)CC1C
MR,Optimize the molecule Cc1cc(C)n(CC(=O)NNC(=O)CCNC(=O)C2CC2C)n1 to have a lower MR value.,Cc1cc(C)n(CC(=O)NNC(=O)CCC(C)C)n1
QED,Please optimize the molecule Oc1cc(CCc2ccc(F)cc2)cc2c1OCO2 to have a lower QED value.,Oc1cc(CCc2ccccc2)cc2c1OCO2
AtomNum,"The molecule is composed of 9 carbon atoms, and 2 oxygen atoms.",CC(=CC=O)c1ccc(C)o1
BondNum,"Please generate a molecule consisting 15 single bonds, 1 double bond, 8 rotatable bonds, and 11 aromatic bonds.",Cc1nonc1C[NH+](C)Cc1ccccc1OCCN1CCCC1=O
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 amide groups.",CC1(c2ccc(C(=O)NCC3[NH2+]CCc4ccccc43)cc2)NC(=O)NC1=O
AddComponent,Modify the molecule CCOC(CO)COCCCCCCC(C)CCCC(C)CCCC(C)C by adding a amine.,CCOC(CO)COCCCCCCC(C)C(N)CCC(C)CCCC(C)C
SubComponent,Substitute a nitrile in the molecule CC(C)(C)c1ccc2[nH]c(=O)c(C#N)c([O-])c2c1 with a hydroxyl.,CC(C)(C)c1ccc2[nH]c(=O)c(O)c([O-])c2c1
DelComponent,Please remove a O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCCC1c1ccncc1 from the molecule halo.,O=C(c1cc2ccccc2[nH]1)N1CCCC1c1ccncc1
LogP,Modify the molecule CN=C(NC#N)NCCCCSC1(C(C)F)N=CC=C([NH+]=C(N)N)N1 to have a higher LogP value.,CC(=O)NC(=NC)NCCCCSC1(C(C)F)N=CC=C([NH+]=C(N)N)N1
MR,Modify the molecule O=C(CCN1C(=O)C(=O)c2cc(F)ccc21)NC1CC1 to have a higher MR value.,ONc1ccc2c(c1)C(=O)C(=O)N2CCC(=O)NC1CC1
QED,Modify the molecule NS(=O)(=O)c1ccc(Cl)c(OC(F)F)c1 to have a lower QED value.,O=[SH](=O)c1ccc(Cl)c(OC(F)F)c1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCC([NH3+])C(OC1CCCCC1CC)c1ccccn1
BondNum,"The molecule has 12 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CN(c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])C1CCC1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,C=Cc1ccc(Cn2ccnn2)cc1
AddComponent,Please add a amine to the molecule COc1ccc(-c2cc(C(=O)NCC(C)C[NH3+])sc2C)cc1.,COc1ccc(-c2c(C)sc(C(=O)NCC(C)C[NH3+])c2N)cc1
SubComponent,Substitute a halo in the molecule CCOC(=O)c1sc(COC)nc1C(F)(F)F with a carboxyl.,CCOC(=O)c1sc(COC)nc1C(F)(F)C(=O)[OH]
DelComponent,Remove a halo from the molecule COc1ccc(OCCC2=CC(Cl)CC2)cc1.,COc1ccc(OCCC2=CCCC2)cc1
LogP,Please modify the molecule CC(NC(=O)N1CCOCC1)C(=O)N1CCN(c2ccccc2)CC1 to increase its LogP value.,CC(NC(=O)N1CCOCC1)C(=O)N1CCN(c2cccc(-c3ccccc3)c2)CC1
MR,Optimize the molecule CCCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2OCCCC)c1 to have a lower MR value.,CCCCCC(=O)Nc1cccc(C(=S)NC(=O)c2ccccc2OCCCC)c1
QED,Modify the molecule Cc1ccc(Cl)cc1-n1nnc(C(=O)Nc2nc(C)c(Cc3cc(Cl)ccc3Cl)s2)c1C to increase its QED value.,Cc1ccc(O)cc1-n1nnc(C(=O)Nc2nc(C)c(Cc3cc(Cl)ccc3Cl)s2)c1C
AtomNum,"Please generate a molecule with 13 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",NC(=O)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
BondNum,"The molecule is composed of 15 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCCOc1ccc(CC(C)C2OC2CC)c(C)c1C
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 1 halo group.",CCc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
AddComponent,Add a hydroxyl to the molecule CC12CCC(OCC[NH+]3CCCC3)CC1=CCC1C2CCC2(C)C1CCC2(OCC[NH3+])c1ccoc1.,CC12CCC(OCC[NH+]3CCC(O)C3)CC1=CCC1C2CCC2(C)C1CCC2(OCC[NH3+])c1ccoc1
SubComponent,Substitute a halo in the molecule CCNC(=O)c1c(F)c(F)c(B(O)O)c(F)c1F with a aldehyde.,CC(=O)c1c(F)c(B(O)O)c(F)c(F)c1C(=O)NCC
DelComponent,Please remove a amine from the molecule Cc1cnc(NC2CCOC2C)s1.,Cc1cnc(C2CCOC2C)s1
LogP,Please modify the molecule CCOC(=O)CCCN1C(=O)Cn2c(nc(-c3cccc(F)c3)c2Nc2ccc(F)c(C)c2)C1(C)C to decrease its LogP value.,CCOC(=O)CCCN1C(=O)Cn2c(nc(-c3cccc(F)c3)c2Nc2cccc(C)c2)C1(C)C
MR,Optimize the molecule Cc1c(C(=O)OCC(=O)N(C)CCC#N)oc2ccc(Br)cc12 to have a lower MR value.,Cc1c(C(=O)OCC(=O)N(C)CCNO)oc2ccc(Br)cc12
QED,Please optimize the molecule CSc1ccc(NCc2cccs2)cc1Cl to have a lower QED value.,CSc1ccc(Cc2cccs2)cc1Cl
AtomNum,"Please generate a molecule composed of 26 carbon atoms, 3 oxygen atoms, 9 nitrogen atoms, and 1 sulfur atom.",CCc1nc(Nc2ncnc3ccc(-c4ccc(CNCCS(C)(=O)=O)o4)cc23)nc(N2CC[NH+](C)CC2)n1
BondNum,"The molecule consists of 40 single bonds, and 12 rotatable bonds.",CO[P+]([O-])(CC1(O)OC(C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)OC
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 ester group, 2 amide groups, 1 nitro group, 1 thioether group, and 1 sulfide group.",O=C(COc1ccccc1)NCC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)CC2S1
AddComponent,Please add a carboxyl to the molecule COc1ccc(-c2ncnc3c(C(=O)NC4CCN(C(=O)[O-])C4)c(C)[nH]c23)c(OCC2CC2)c1.,COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)[O-])C4)c(C)[nH]c23)c(C(=O)O)c1
SubComponent,Modify the molecule Nc1ccc(N2CCN(C(=O)C3CC(O)C(O)C3)CC2)nc1 by substituting a hydroxyl with a nitro.,Nc1ccc(N2CCN(C(=O)C3CC(O)C(NO)C3)CC2)nc1
DelComponent,Remove a amine from the molecule [NH3+]CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Br)s1.,[NH3+]CCc1ccc(S(=O)(=O)c2cccc(Cl)c2Br)s1
LogP,Optimize the molecule CC(=O)C1CCCC[NH+]1CCC1CCCC[NH+]1C to have a lower LogP value.,CC(=O)C1CCCC[NH+]1C(N)CC1CCCC[NH+]1C
MR,Modify the molecule O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(CCN2CCCC2)CC1 to increase its MR value.,O=[N+]([O-])c1ccccc1C[NH+]1CCN(CCN2CCCC2)CC1
QED,Modify the molecule N#CCCCCCCOC(=O)CCS(=O)c1ccccc1 to have a lower QED value.,N#CCCCCCCOC(=O)CCS(=O)c1ccccc1CC=O
AtomNum,"There is a molecule composed of 8 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",C[NH2+]CCN(C)CCCC(=O)NN
BondNum,"There is a molecule composed of 14 single bonds, 5 rotatable bonds, and 16 aromatic bonds.",CCCn1cc(C[NH+]2CCCN(c3cc[nH+]c4cc(Br)cnc34)CC2)cn1
FunctionalGroup,"Please generate a molecule with 1 amine group, and 1 halo group.",CCCC(Nc1cc(OC)cc2cc3cc(Cl)ccc3nc12)[NH+](CC)CC
AddComponent,Please add a benzene ring to the molecule C=CCCCCOc1ccnc2c1ccc1c(OCCCCC=C)ccnc12.,C=CCCCCOc1ccnc2c1ccc1c(OCCC(CC=C)c3ccccc3)ccnc12
SubComponent,Please substitute a halo in the molecule O=C(C1CC1)N1CCC(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CC1 with a carboxyl.,O=C([OH])c1cccc(Cl)c1CN(C(=O)C1CCN(C(=O)C2CC2)CC1)C1CC1
DelComponent,Please remove a amine from the molecule CCOc1ccccc1-n1ccnc1Nc1ccccc1.,CCOc1ccccc1-n1ccnc1-c1ccccc1
LogP,Modify the molecule CC(C)[NH2+]CCCN1CC(=O)Nc2ccccc21 to increase its LogP value.,CC(C)[NH2+]CCCN1c2ccccc21
MR,Please modify the molecule O=C(Nc1ccccc1F)c1ccccc1 to increase its MR value.,N#Cc1ccccc1NC(=O)c1ccccc1
QED,Please optimize the molecule O=C(NCCc1ccccc1Cl)Nc1cccc2cccnc12 to have a higher QED value.,O=C(NCCc1ccccc1)Nc1cccc2cccnc12
AtomNum,"Please generate a molecule consisting 29 carbon atoms, 5 oxygen atoms, and 2 silicon atoms.",C=CC1OC(OC)C(OCOCC[Si](C)(C)C)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
BondNum,"There is a molecule consisting of 16 single bonds, 1 double bond, and 8 rotatable bonds.",CCCC1[NH2+]CN(CCOCCC(C)C)C1=O
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 nitro group.",CCOc1cccn2cc(-c3ccc(C)c([N+](=O)[O-])c3)[nH+]c12
AddComponent,Add a hydroxyl to the molecule CNC(=O)OC1C(CO)OC(OC2C(C)OC(CC3CCC3CCOCCO)C(O)C2O)C(O)C1O.,CNC(=O)OC1C(CO)OC(OC2(O)C(C)OC(CC3CCC3CCOCCO)C(O)C2O)C(O)C1O
SubComponent,Modify the molecule halo by substituting a CCC1CCCCN1C(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1 with a nitro.,CCC1CCCCN1C(=O)N1CCC(NC(=O)c2ccccc2NO)CC1
DelComponent,Remove a amine from the molecule N#Cc1ccnc(Nc2cc(C3CC3)cc(-c3ccc4c(c3)ncn4C3CCC(O)CC3)n2)c1.,N#Cc1ccnc(-c2cc(C3CC3)cc(-c3ccc4c(c3)ncn4C3CCC(O)CC3)n2)c1
LogP,Modify the molecule C=CC(NN)C1CCCC(C)C1 to have a higher LogP value.,C=CC(N)C1CCCC(C)C1
MR,Please modify the molecule C[Si](C)(C)C(=C=C([Sn](C)(C)C)[Sn](C)(C)C)[Sn](C)(C)C to increase its MR value.,C[Si](C)(C)C(=C=C([Sn](C)(C)C)[Sn](C)(C)C)[Sn](C)(C)CO
QED,Please modify the molecule CCOC1CC(CC(C)O)C(CO)O1 to increase its QED value.,CCOC1CC(CC(C)O)C(C)O1
AtomNum,"The molecule contains 20 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C(C)NC(=O)c3ccco3)CC2)cc1
BondNum,"The molecule has 13 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C(C=Cc1cccc(Cl)c1Cl)N1CCOCC1CO
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, and 3 halo groups.",CC1CC(C)(C)CC1(O)c1ccc(C(F)(F)F)cc1
AddComponent,Add a hydroxyl to the molecule Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)cc2)cc1C.,Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C=O)CC3)cc2)c(O)c1C
SubComponent,Substitute a halo in the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(C(=O)N4CCCCC4)c3C)CC2)cccc1C(=O)NCc1ccc(F)cc1 with a thiol.,Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(C(=O)N4CCCCC4)c3C)CC2)cccc1C(=O)NCc1ccc(S)cc1
DelComponent,Modify the molecule amide by removing a C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCCC3)nnc1C(C)Oc1ccc(Cl)cc1Cl.,C=CCn1c(Sc2sc3c(c2C(=O)OC)CCCCCC3)nnc1C(C)Oc1ccc(Cl)cc1Cl
LogP,Modify the molecule N#CC1CC12CCC1(CC2)OCCO1 to increase its LogP value.,C1COC2(CCC3(CC3)CC2)O1
MR,Please optimize the molecule COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cn1 to have a lower MR value.,COCCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1
QED,Optimize the molecule N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4cnc(N)nn4)cc3)cc12 to have a lower QED value.,Nc1ncc(-c2ccc(C(=O)NCCc3ccc4[nH]cc(S)c4c3)cc2)nn1
AtomNum,"The molecule consists of 15 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccccc1C=CC=NNC(=O)C1CCS(=O)(=O)C1
BondNum,"There is a molecule with 10 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",O=S(=O)(Nc1cn[nH]c1)c1ccc(C[NH2+]C2CC2)cc1F
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 thioether group, and 1 sulfide group.",CSc1ccc(CCC(=O)NO)cc1
AddComponent,Modify the molecule COCC(CC1OC(CO)C2OC(c3ccccc3)OC2C1(C)C)OC by adding a hydroxyl.,COCC(CC1OC(CO)C2OC(c3cccc(O)c3)OC2C1(C)C)OC
SubComponent,Please substitute a CCC(CC)OC(C)(C)C(O)(O)OC(C)(C)C(O)O in the molecule hydroxyl with a thiol.,CCC(CC)OC(C)(C)C(O)(S)OC(C)(C)C(O)O
DelComponent,Remove a Nc1noc2ccc(-c3c[nH+]c4ccc(NCCn5cccn5)nn34)cc12 from the molecule amine.,c1cnn(CCNc2ccc3[nH+]cc(-c4ccc5oncc5c4)n3n2)c1
LogP,Please optimize the molecule [CH]=C(Cc1ccccc1)C(=O)OCC to have a lower LogP value.,[CH]=C(C)C(=O)OCC
MR,Please optimize the molecule CC1(C)OC2C(CCO)CC(c3[nH]nc4c(N)nccc34)C2O1 to have a higher MR value.,CC1(C)OC2C(CCCl)CC(c3[nH]nc4c(N)nccc34)C2O1
QED,Please modify the molecule CC(C)CC([NH3+])C(=O)NC1CCC[NH+](CCc2cccc(-c3ccccn3)c2)CC1O to increase its QED value.,CC(=O)C1C[NH+](CCc2cccc(-c3ccccn3)c2)CCCC1NC(=O)C([NH3+])CC(C)C
AtomNum,"The molecule has 19 carbon atoms, 5 oxygen atoms, and 1 sulfur atom.",CCCOc1ccc(SC2=CC(=O)c3c([O-])ccc([O-])c3C2=O)cc1
BondNum,"The molecule consists of 12 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Cn1[nH]c(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)C2)nc1=O
FunctionalGroup,"Please generate a molecule composed of 1 amine group, and 3 halo groups.",Nc1cnc(C[NH3+])c(C(F)F)c1F
AddComponent,Add a carboxyl to the molecule CC(C)S(=O)(=O)Nc1cccc(-c2ccc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)cc2)c1.,CC(CC(=O)O)S(=O)(=O)Nc1cccc(-c2ccc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)cc2)c1
SubComponent,Substitute a CC(C)(Sc1cccc(F)c1F)C(=O)Nc1cc(C(C)(C)CO)on1 in the molecule halo with a aldehyde.,CC(=O)c1cccc(SC(C)(C)C(=O)Nc2cc(C(C)(C)CO)on2)c1F
DelComponent,Please remove a halo from the molecule CCCCc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)C2c2ccc(O)c(Cl)c2)cc1.,CCCCc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)C2c2ccc(O)c(Cl)c2)cc1
LogP,Modify the molecule O=C(OC(c1ccccc1)C(CBr)N1C(=O)c2ccccc2C1=O)c1ccccc1 to decrease its LogP value.,CC(=O)CC(C(OC(=O)c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O
MR,Please modify the molecule CCCCCCCN(CCC(=O)[O-])c1nnc(C(C)C)s1 to increase its MR value.,CCCCCC(CN(CCC(=O)[O-])c1nnc(C(C)C)s1)c1ccccc1
QED,Modify the molecule CCCCCc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 to decrease its QED value.,CCCCCc1ccc(C(=O)N(CCC[NH+]2CCOC(N)C2)CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
AtomNum,"The molecule has 17 carbon atoms, and 4 nitrogen atoms.",Cc1cccc(Nc2nccc(-c3ccnc(C)c3)n2)c1
BondNum,"There is a molecule composed of 6 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",Nc1cc(Cl)ccc1Sc1ccc(Cl)cc1N
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 2 amine groups, and 1 nitro group.",CNc1ncc([N+](=O)[O-])c(NC(CCO)C(C)C)n1
AddComponent,Please add a benzene ring to the molecule O=C([O-])c1ccc(Oc2cc3ccccc3c(=O)[nH]2)cc1.,O=C([O-])c1ccc(Oc2[nH]c(=O)c3ccccc3c2-c2ccccc2)cc1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)COCCOc1ccc(Cl)cc1C(N)=[NH+]O with a carboxyl.,CC(C)COCCOc1ccc(Cl)cc1C(N)=[NH+]C(=O)[OH]
DelComponent,Remove a amine from the molecule CCCCCNS(=O)(=O)c1cc(C[NH2+]C)sc1Br.,CCCCCS(=O)(=O)c1cc(C[NH2+]C)sc1Br
LogP,Optimize the molecule CC(=O)c1cc(CCCO)[nH]n1 to have a higher LogP value.,CC(=O)c1cc(CCC(O)c2ccccc2)[nH]n1
MR,Please optimize the molecule CSC1CCC[NH+](C2CCCC2O)C1 to have a higher MR value.,CSC1CC(c2ccccc2)C[NH+](C2CCCC2O)C1
QED,Modify the molecule CC(=NNC(=S)NC(C)C)c1ccc(OC(F)F)cc1 to have a lower QED value.,CC(=NNC(=S)NC(C)C)c1ccc(OCF)cc1
AtomNum,"The molecule is composed of 25 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",N#Cc1ccc(-c2ccc(OCCCCN3C(=O)c4ccccc4C3=O)cc2)cc1
BondNum,"The molecule consists of 7 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",CC(=O)c1cc(C(=O)[O-])n(-c2ccc(Br)c(C)c2)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amine groups, and 1 halo group.",C[NH+]=C(NCc1ccc(F)c(COC)c1)N1CCC([NH+]2CCCC2)C1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(C(=O)N(CC(C)C)CC2C[NH+](CC(O)COCC(C)C)CCO2)cc1.,COc1ccc(C(=O)N(CC(C)CO)CC2C[NH+](CC(O)COCC(C)C)CCO2)cc1
SubComponent,Substitute a CC[NH+]1CCC(C[NH2+]CC(C)(CO)CO)C1 in the molecule hydroxyl with a halo.,CC[NH+]1CCC(C[NH2+]CC(C)(CO)CCl)C1
DelComponent,Please remove a CC(CC(=O)[O-])CC(=O)NCCCc1nnc2ccccn12 from the molecule amide.,CC(CCCc1nnc2ccccn12)CC(=O)[O-]
LogP,Modify the molecule O=c1cc(Cn2cnc3ccc(Cl)cc3c2=O)c2cc3c(cc2o1)CCC3 to decrease its LogP value.,O=c1cc(Cn2cnc3ccc(S)cc3c2=O)c2cc3c(cc2o1)CCC3
MR,Modify the molecule Cc1ccc(SC2=C(Nc3ccc(OC(C)C)cc3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 to have a higher MR value.,Cc1ccc(SC2=C(Nc3ccc(OC(C)C)cc3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1
QED,Optimize the molecule CCN(CC)C(=O)CC1ON(C)C(c2ccccc2)C1(C)C to have a lower QED value.,CCC(C)C1ON(C)C(c2ccccc2)C1(C)C
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CC(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1C
BondNum,"There is a molecule consisting of 6 single bonds, 4 rotatable bonds, and 27 aromatic bonds.",CN(C)c1ccc(-c2ccnc3cc(-c4ccc(-c5cnc[nH]5)cc4)oc23)cn1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 halo groups.",CC1(C)CCN(C(C[NH3+])c2ccc(Cl)c(Cl)c2)C1
AddComponent,Modify the molecule CCOC(=O)C([NH2+]C(c1ccccc1)c1ccccc1)C12c3c4c5c6c7c8c(c9c%10c1c1c3c3c%11c4c4c5c5c7c7c%12c8c8c9c9c%10c%10c1c1c3c3c%11c%11c4c4c5c7c5c7c%12c8c8c9c9c%10c1c1c3c3c%11c4c5c4c7c8c9c1c34)C62 by adding a benzene ring.,CCOC(=O)C([NH2+]C(c1ccccc1)c1ccccc1)C12c3c4c5c6c7c8c(c9c%10c1c1c3c3c%11c4c4c5c5c7c7c%12c8c8c9c9c%10c%10c1c1c3c3c%11c%11c4c4c5c7c5c7c%12c8c8c9c9c%10c1c1c3c3c%11c4c5c4c7c8c9c1c34)C62c1ccccc1
SubComponent,Modify the molecule Cc1cc(C(C(=O)Nc2c(C)cccc2Cl)N(CC#N)C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)ccc1O by substituting a nitrile with a thiol.,Cc1cc(C(C(=O)Nc2c(C)cccc2Cl)N(CS)C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)ccc1O
DelComponent,Remove a amine from the molecule O=C1c2ccc([N+](=O)[O-])cc2C(=O)c2c1cc(Nc1ccccc1)c(O)c2[O-].,O=C1c2ccc([N+](=O)[O-])cc2C(=O)c2c1cc(-c1ccccc1)c(O)c2[O-]
LogP,Optimize the molecule CCC[NH2+]C1COCC1C(=O)Nc1ccccc1N(C)C to have a lower LogP value.,CCC[NH2+]C1COCC1C(=O)NN(C)C
MR,Please optimize the molecule O=C1N(c2c(F)c(F)c(F)c(F)c2F)C2C3C=CC(C3)C2N1c1c(F)c(F)c(F)c(F)c1F to have a higher MR value.,O=C1N(c2c(F)c(F)c(F)c(F)c2F)C2C3C=CC(C3)C2(O)N1c1c(F)c(F)c(F)c(F)c1F
QED,Please modify the molecule COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(Cl)cc2)C(C)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 to decrease its QED value.,COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(NO)cc2)C(C)C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1nn(C)cc1CNC(=O)C1CC(O)C[NH2+]1
BondNum,"The molecule is composed of 14 single bonds, 8 rotatable bonds, and 12 aromatic bonds.",COCOC(c1ccc(C)cc1O)C(CO)c1ccc(OC)cc1C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, and 3 halo groups.",COc1cc(CCO)c(OC)c(C(F)(F)F)c1
AddComponent,Please add a carboxyl to the molecule CC(C)CN(Cc1ccc2ccccc2c1)C1CC[NH2+]C1.,CC(C)CN(Cc1ccc2ccccc2c1)C1C[NH2+]C(C(=O)O)C1
SubComponent,Please substitute a hydroxyl in the molecule CSCCC(NC(=O)C(CC(N)=O)NC(=O)C([NH3+])C(C)O)C(=O)N1CCCC1C(=O)[O-] with a thiol.,CSCCC(NC(=O)C(CC(N)=O)NC(=O)C([NH3+])C(C)S)C(=O)N1CCCC1C(=O)[O-]
DelComponent,Please remove a CCC(CC[NH3+])CCC(=O)N1CC[NH+](C(C)CC)CC1 from the molecule amide.,CCC(CC[NH3+])CC1CC[NH+](C(C)CC)C1
LogP,Modify the molecule COc1ccc(NC(=O)c2ccnc(Nc3c(Cl)cccc3Cl)c2)cc1 to decrease its LogP value.,CC(=O)c1cccc(Cl)c1Nc1cc(C(=O)Nc2ccc(OC)cc2)ccn1
MR,Modify the molecule NNc1ncc(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)s1 to decrease its MR value.,NNc1ncc(Cn2cc(O)c(=O)c([N+](=O)[O-])c2)s1
QED,Optimize the molecule CC#CC[NH2+]Cc1ccc(Br)o1 to have a lower QED value.,CC#CC[NH2+]Cc1ccco1
AtomNum,"There is a molecule with 15 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccccn1
BondNum,"The molecule consists of 10 single bonds, 4 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CNc1cccc(C(=O)NCCS(C)(=O)=O)c1[N+](=O)[O-]
FunctionalGroup,"There is a molecule with 1 hydroxyl group, 2 amine groups, 1 thioether group, and 1 sulfide group.",CSC1=[NH+]C(O)C(O[Si](C)(C)C(C)(C)C)C(C)N1
AddComponent,Please add a amine to the molecule COCC(O)C[NH+](C)CC(=O)c1cc(F)ccc1O.,COCC(O)C[NH+](C)CC(=O)c1cc(F)c(N)cc1O
SubComponent,Please substitute a halo in the molecule Cc1nc(Cl)c(C)c(-c2cc(F)cc(Cl)c2)n1 with a hydroxyl.,Cc1nc(O)c(C)c(-c2cc(F)cc(Cl)c2)n1
DelComponent,Remove a halo from the molecule Cc1cncc(-c2nn(C)c(N)c2-c2ccc(Br)cc2)c1.,Cc1cncc(-c2nn(C)c(N)c2-c2ccccc2)c1
LogP,Modify the molecule CC(NC(=O)CCC1CCCCC1)C(O)c1ccc(OC(=O)CCC2CCCCC2)cc1 to increase its LogP value.,CC(NC(=O)CCC1CCCCC1)C(C(=O)[OH])c1ccc(OC(=O)CCC2CCCCC2)cc1
MR,Please modify the molecule N#Cc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1C(=O)[O-] to increase its MR value.,O=C([O-])C1COCCN1S(=O)(=O)c1cc(Cl)ccc1S
QED,Modify the molecule CNC(=O)c1cc(Oc2ccc3c(c2)nc(-c2ccc(C[NH+]4CCOCC4)cc2)n3C)ccn1 to have a higher QED value.,Cn1ccc(Oc2ccc3c(c2)nc(-c2ccc(C[NH+]4CCOCC4)cc2)n3C)c-1
AtomNum,"The molecule has 15 carbon atoms, and 2 oxygen atoms.",CC(C)(C)C1CC(C(=O)[O-])CC(C(C)(C)C)C1
BondNum,"The molecule contains 20 single bonds, 4 double bonds, and 7 rotatable bonds.",CC(O)C1C(=O)N2C(C(=O)[O-])=C(COC(C)C([NH3+])C(=O)[O-])CC12
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, 1 amide group, and 1 halo group.",O=C(NCCCOCCO)c1cc2ccccc2c(Cl)n1
AddComponent,Please add a hydroxyl to the molecule CC1(C)c2occc2CC2C(=O)N(Cc3ccccc3)CC21.,CC1(C)c2occc2CC2C(=O)N(Cc3ccccc3O)CC21
SubComponent,Please substitute a halo in the molecule O=C(CC(F)(F)F)NC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CC1 with a hydroxyl.,O=C(CC(O)(F)F)NC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CC1
DelComponent,Remove a C=CCn1c(SCC(=O)Nc2nc(-c3ccco3)cs2)nnc1-c1ccncc1 from the molecule amide.,C=CCn1c(Sc2nc(-c3ccco3)cs2)nnc1-c1ccncc1
LogP,Please modify the molecule Cc1cc(C)cc(-c2ccc(OCC[NH+](C)C)c(C=CC(=O)c3cccc(O)c3)c2)c1 to decrease its LogP value.,Cc1cc(C)cc(-c2ccc(OCC[NH+](C)C)c(C=CC(=O)O)c2)c1
MR,Please modify the molecule CCCC1[NH2+]C2(CC2)C(=O)N1C1CCC[NH+](C)C1 to increase its MR value.,CCCC1[NH2+]C2(CC2)C(=O)N1C1CCC(C#N)[NH+](C)C1
QED,Modify the molecule CCCNS(=O)(=O)NC1CC(O)C1(C)C to have a higher QED value.,CCCNS(=O)(=O)NC1CC(C#N)C1(C)C
AtomNum,"The molecule has 17 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCC(Oc1cccc(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1
BondNum,"There is a molecule composed of 13 single bonds, 4 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(NCC(=O)N1CCS(=O)(=O)CC1)c1ccc(Oc2ccccc2)cc1
FunctionalGroup,The molecule consists of and 1 ester group.,C=C(C(=O)OC)C(CC)O[Si](C)(C)C(C)(C)C
AddComponent,Add a benzene ring to the molecule CC(Nc1nnc(C[NH2+]C2CC2)o1)C(C)(C)C.,CC(Nc1nnc(C[NH2+]C2CC2c2ccccc2)o1)C(C)(C)C
SubComponent,Please substitute a halo in the molecule CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccc(C)cc1 with a thiol.,CCCC(NC(=O)NCc1ccc(S)cc1)C(=O)NCc1ccc(C)cc1
DelComponent,Modify the molecule CCC(Cc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12)S(=O)[O-] by removing a halo.,CCC(Cc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccn12)S(=O)[O-]
LogP,Please modify the molecule CCN(CC)C(=O)c1ccc(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)cc1 to increase its LogP value.,CCN(CC)C(=O)c1ccc(Cc2c(C)nc3c(C(N)=O)cnn3c2C)cc1
MR,Modify the molecule CC(O)(CN1CCCC(S(=O)(=O)NC2CCCC2)C1)C(F)(F)F to decrease its MR value.,CC(CN1CCCC(S(=O)(=O)NC2CCCC2)C1)C(F)(F)F
QED,Please modify the molecule O=C(NCC1C[NH2+]CC1O)c1ccn(-c2cccc(Br)c2)n1 to decrease its QED value.,O=C(NCC1C[NH2+]CC1O)c1ccn(Br)n1
AtomNum,"There is a molecule with 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",Cc1cc(OCC(=O)NCc2ccncc2)ccc1Br
BondNum,"The molecule consists of 15 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCC(C)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)c(Cl)c2)C1
FunctionalGroup,There is a molecule consisting of and 1 ketone group.,CC(=O)C1=C(C)C(C)=C(C)C1(C)C
AddComponent,Add a benzene ring to the molecule COc1ccc(C)cc1C(C)NC(=O)c1ccc(C(=O)[O-])c(C)n1.,COc1ccc(C)cc1C(C)NC(=O)c1ccc(C(=O)[O-])c(Cc2ccccc2)n1
SubComponent,Substitute a halo in the molecule CCCN1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(Cl)cc2Cl)o1 with a nitro.,CCCN1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(NO)cc2Cl)o1
DelComponent,Please remove a CNc1ccc(Cl)c(CN2CCSCC2S(C)(=O)=O)n1 from the molecule amine.,Cc1ccc(Cl)c(CN2CCSCC2S(C)(=O)=O)n1
LogP,Modify the molecule CC(C)OCC(O)CN1CCCC(O)c2ccccc21 to have a higher LogP value.,CC(=O)C(COC(C)C)CN1CCCC(O)c2ccccc21
MR,Modify the molecule COC(=O)c1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 to have a higher MR value.,COC(=O)c1ccc(NC(=O)C(Cl)=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1
QED,Please optimize the molecule CC1=CCC2(CC1C)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2C(c1ccc(C(=O)NCCC(=O)[O-])cc1)C1CC1 to have a lower QED value.,CC1=CCC2(CC1C)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2C(c1ccc(C(=O)NCC(O)C(=O)[O-])cc1)C1CC1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCC1CCC(C)N1C(=O)NCC(CC(=O)[O-])CC(C)C
BondNum,"The molecule has 9 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C)cc1NC(=O)NCc1cc(C)ccn1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 1 amide group.",Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)c3ccccc3)nc12
AddComponent,Modify the molecule COc1cccc(Nc2c(-c3cccc(O)c3)nc3ccccn23)c1 by adding a aldehyde.,COc1cccc(Nc2c(-c3cccc(O)c3)nc3cccc(CC=O)n23)c1
SubComponent,Please substitute a hydroxyl in the molecule CC(C)C1(O)CN(C(=O)c2n[nH]c3ccc(N)cc23)C1 with a nitrile.,CC(C)C1(C#N)CN(C(=O)c2n[nH]c3ccc(N)cc23)C1
DelComponent,Please remove a O=C(C1CCCCN1S(=O)(=O)c1ccc(Cl)s1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 from the molecule halo.,O=C(C1CCCCN1S(=O)(=O)c1cccs1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1
LogP,Modify the molecule COc1ccc2occ(C3CC(=O)Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c43)c(=O)c2c1 to increase its LogP value.,COc1ccc2occ(C3CC(=O)Oc4ccc5c(=O)c(-c6ccccc6)coc5c43)c(=O)c2c1
MR,Optimize the molecule CCCCNC(=O)C(CC)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O to have a higher MR value.,CCCC(NC(=O)C(CC)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1
QED,Modify the molecule COC(=O)C1(CCNc2ccccc2Cl)CCCN1C(=O)[O-] to have a lower QED value.,CC(=O)c1ccccc1NCCC1(C(=O)OC)CCCN1C(=O)[O-]
AtomNum,"There is a molecule composed of 28 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 fluorine atom.",CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](CC)CC2)c1C[NH+](CC)Cc1cccc(OC)c1
BondNum,"Please generate a molecule composed of 12 single bonds, 2 double bonds, 4 rotatable bonds, and 17 aromatic bonds.",O=C(NCc1ccccc1F)C1CCCN(c2nc3ccccc3[nH]c2=O)C1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 3 hydroxyl groups, 1 amide group, and 1 halo group.",CC(=O)NC1C(O)C(O)C(CO)OC1n1nc(COc2ccc(Cl)cc2)n(C2CC2)c1=S
AddComponent,Modify the molecule CCc1nsc(SCc2ccc(N)c3cccnc23)n1 by adding a aldehyde.,CCc1nsc(SC(CC=O)c2ccc(N)c3cccnc23)n1
SubComponent,Substitute a halo in the molecule COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NC(C)c3ccc(F)cc3)c21 with a nitro.,COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NC(C)c3ccc(NO)cc3)c21
DelComponent,Please remove a C=C(C)C1CCC2(CC(=O)N3CCCC3C[NH3+])CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(C)C(=O)[O-])C(C)(C)C5CCC43C)C12 from the molecule amide.,C=C(C)C1CCC2(C3(C[NH3+])CCC3)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(C)C(=O)[O-])C(C)(C)C5CCC43C)C12
LogP,Please optimize the molecule Cc1ccc(C)c(OCCNC(=O)CC[NH3+])c1 to have a higher LogP value.,Cc1ccc(C)c(-c2ccccc2)c1OCCNC(=O)CC[NH3+]
MR,Please modify the molecule CCCCCc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)Nc2cccc(Cl)c2)CN3c2ccccc2)cc1 to decrease its MR value.,CCCCCc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)Nc2cccc(C#N)c2)CN3c2ccccc2)cc1
QED,Please optimize the molecule C[NH+](Cc1ccc(Oc2ccccc2)cc1)Cc1cc2n(n1)CC[NH2+]C2 to have a lower QED value.,C[NH+](COc1ccccc1)Cc1cc2n(n1)CC[NH2+]C2
AtomNum,"The molecule is composed of 28 carbon atoms, 7 oxygen atoms, 4 nitrogen atoms, and 1 bromine atom.",CCOC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2cc3cc(Br)ccc3o2)nc2ccccc2c1=O
BondNum,"Please generate a molecule composed of 12 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CN(c1ncc(F)cc1F)C1CCCCC1[NH3+]
FunctionalGroup,"The molecule consists of 4 benzene ring groups, 8 amide groups, and 6 amine groups.",CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])Cc1ccccc1)C(=O)NC(CC[NH+]=C(N)N)C(=O)NC1(C(=O)[O-])CCN(C(=O)C(C[NH+]=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C([NH3+])Cc2ccccc2)CC1
AddComponent,Add a amine to the molecule CC(C)(C)C[NH2+]CC1(C)COC1.,CC(C)(CN)C[NH2+]CC1(C)COC1
SubComponent,Please substitute a hydroxyl in the molecule O=S1(=O)CCC(CO)N1CCCOCCc1ccccc1 with a halo.,O=S1(=O)CCC(CCl)N1CCCOCCc1ccccc1
DelComponent,Please remove a benzene ring from the molecule O=C(NC(CO)Cc1ccccc1)c1cc(Cl)ccn1.,CC(CO)NC(=O)c1cc(Cl)ccn1
LogP,Modify the molecule CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C)C1CCS(=O)(=O)C1 to have a lower LogP value.,CCN(C(=O)CSc1nnc(-c2ccc(O)cc2)n1C)C1CCS(=O)(=O)C1
MR,Optimize the molecule CCOC(=O)Cn1ncc(N2CCOCC2)c(Cl)c1=O to have a lower MR value.,CCOC(=O)Cn1ncc(N2CCOCC2)c(C#N)c1=O
QED,Please modify the molecule CCC(CO)NC(=O)CN1C(=O)NC(C)(CC)C1=O to increase its QED value.,CCC(C)NC(=O)CN1C(=O)NC(C)(CC)C1=O
AtomNum,"The molecule consists of 23 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CC(C(=O)N1CCOCC1)N1CCC(N(CC#N)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
BondNum,"Please generate a molecule with 17 single bonds, 2 double bonds, 10 rotatable bonds, and 11 aromatic bonds.",COCCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)CC(C)(C)C
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, and 1 sulfone group.",Cn1cc(NS(=O)(=O)c2ccccc2C#CC[NH3+])cn1
AddComponent,Add a hydroxyl to the molecule CC(C)n1ncnc1CC1(O)CCCC(C(C)(C)C)CC1.,CC(C)n1nc(O)nc1CC1(O)CCCC(C(C)(C)C)CC1
SubComponent,Please substitute a Cc1nnsc1C(=O)Nc1cc(-c2ccco2)nn1CCO in the molecule hydroxyl with a nitrile.,Cc1nnsc1C(=O)Nc1cc(-c2ccco2)nn1CCC#N
DelComponent,Please remove a benzene ring from the molecule CCN(CC(C)C(N)=S)C(=O)c1ccccc1OC(F)F.,CCN(CC(C)C(N)=S)C(=O)OC(F)F
LogP,Modify the molecule Brc1nc2ccccc2n1Cc1ccccc1 to decrease its LogP value.,c1ccc(Cn2cnc3ccccc32)cc1
MR,Modify the molecule O=C(Cc1ccncc1)N1CC[NH+](C2c3ccc(Cl)cc3S(=O)(=O)Cc3cccnc32)CC1 to decrease its MR value.,O=S1(=O)Cc2cccnc2C([NH+]2CCC(c3ccncc3)C2)c2ccc(Cl)cc21
QED,Modify the molecule COC(=O)c1ccc(NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1 to decrease its QED value.,COC(=O)c1ccc(NC(=O)C=C(N)c2ccc(OCc3ccccc3)cc2)cc1
AtomNum,"Please generate a molecule consisting 39 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 3 fluorine atoms.",Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(C)c(NC(=O)c3cccc(F)c3)c2)CC1
BondNum,"Please generate a molecule with 15 single bonds, 1 triple bond, and 3 rotatable bonds.",N#CC1CCCC1OCC1CCOCC1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 1 amide group.",COc1ccc(C(CC[NH+]2CCCN(c3nc4ccccc4n3Cc3ccccn3)CC2)CN(C)C(=O)c2ccccc2)cc1
AddComponent,Modify the molecule CC(=O)OC(CN(CC(C)(C)O)S(=O)(=O)c1ccc(N)cc1)C(Cc1ccccc1)NC(=O)OC1(O)C(O)(O)OC2(O)OC([NH3+])(O)C(O)(O)C21O by adding a benzene ring.,CC(=O)OC(CN(CC(C)(C)O)S(=O)(=O)c1ccc(N)cc1)C(NC(=O)OC1(O)C(O)(O)OC2(O)OC([NH3+])(O)C(O)(O)C21O)C(c1ccccc1)c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a C[NH2+]C(C)c1cc(C(C)(C)C)ccc1O with a halo.,C[NH2+]C(C)c1cc(C(C)(C)C)ccc1Cl
DelComponent,Modify the molecule Cc1ccc(S(=O)(=O)C(N)c2ccc(F)cc2)cc1 by removing a amine.,Cc1ccc(S(=O)(=O)Cc2ccc(F)cc2)cc1
LogP,Modify the molecule Cc1cc2c(cn1)C(C)Oc1cc(OCC([NH3+])CC(C)C)ccc1-2 to increase its LogP value.,Cc1cc2c(c(-c3ccccc3)n1)C(C)Oc1cc(OCC([NH3+])CC(C)C)ccc1-2
MR,Please optimize the molecule CC(C)N(c1cccc(CCCc2cc(C(=O)[O-])ccc2O)c1)C(C)C to have a lower MR value.,CC(C)N(CCCc1cc(C(=O)[O-])ccc1O)C(C)C
QED,Please modify the molecule COc1ccc(-c2cc3ccncc3[nH]2)cc1Nc1cccc(C(F)(F)F)c1 to decrease its QED value.,COc1ccc(-c2cc3ccncc3[nH]2)cc1Nc1cccc(C(O)(F)F)c1
AtomNum,"The molecule consists of 15 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 fluorine atom.",Cn1c(C(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1
BondNum,"There is a molecule composed of 12 single bonds, 1 double bond, and 5 rotatable bonds.",CC(C)C[NH2+]C1(CC(=O)[O-])CNC1
FunctionalGroup,Please generate a molecule consisting and 5 hydroxyl groups.,CCC(C)(CC(C)(C)C)OC(=O)NC(C[NH2+]C1C=CCC(O)C(O)C1O)C(O)CC(O)C(C)(C)CC(C)(C)C
AddComponent,Please add a benzene ring to the molecule CNC1C(=C[NH2+]Cc2ccc(CCC(C)(F)C(C)C)c(C)c2)C([NH3+])C=C[NH+]1C.,CNC1C(=C[NH2+]Cc2ccc(CCC(C)(F)C(C)C)c(Cc3ccccc3)c2)C([NH3+])C=C[NH+]1C
SubComponent,Please substitute a hydroxyl in the molecule Cc1ccc(C)c(NCC(O)C(=O)[O-])c1 with a nitrile.,Cc1ccc(C)c(NCC(C#N)C(=O)[O-])c1
DelComponent,Remove a benzene ring from the molecule CC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1.,CC(=O)NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
LogP,Please optimize the molecule COc1ccc(C2c3cc4c(cc3OC(=O)C2(Cc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)OCO4)cc1 to have a lower LogP value.,COC1c2cc3c(cc2OC(=O)C1(Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OCO3
MR,Modify the molecule CC(C)=CC(=O)Nc1ccccc1NC(=O)CNC(=O)OC(C)(C)C to have a higher MR value.,CC(C)=CC(=O)Nc1ccccc1NC(=O)CNC(=O)OC(C)(C)CO
QED,Please modify the molecule CC1CC(F)(F)CN(C(=O)c2cnn(C)c2-c2ccccn2)C1CNc1ncc(Cl)cn1 to increase its QED value.,CC1CC(F)(F)C(c2(-c3ccccn3)n(C)nc-2)C1CNc1ncc(Cl)cn1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1cnc(N2CC(C)[NH2+]CC2C)s1
BondNum,"The molecule has 11 single bonds, 4 rotatable bonds, and 57 aromatic bonds.",c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3ccccc3N5c3ccccc3)n2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, and 1 sulfone group.",CN(CC1CCCC1O)S(=O)(=O)c1c[nH+]c2n1CCC2
AddComponent,Add a amine to the molecule Cc1ncc(CNC(=O)N2Cc3ccccc3N(C)CC2C)o1.,Cc1ncc(CNC(=O)N2Cc3ccc(N)cc3N(C)CC2C)o1
SubComponent,Substitute a halo in the molecule [NH3+]C1C(=O)Nc2cc(Sc3ncccc3Br)c(Br)cc21 with a hydroxyl.,[NH3+]C1C(=O)Nc2cc(Sc3ncccc3O)c(Br)cc21
DelComponent,Modify the molecule amine by removing a COc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2F)cc1.,COc1ccc(Cc2cc(Cl)ccc2OCc2ccccc2F)cc1
LogP,Modify the molecule CCC([NH3+])(CC)COCc1nc2sc(C)c(C)c2c(=O)[nH]1 to decrease its LogP value.,CCC([NH3+])(COCc1nc2sc(C)c(C)c2c(=O)[nH]1)C(C)O
MR,Modify the molecule O=c1cc(N2CCOCC2)[nH]c2c(Cc3ccc(F)cc3)cccc12 to have a higher MR value.,O=c1cc(N2CCOCC2)[nH]c2c(Cc3ccc(O)cc3)cccc12
QED,Modify the molecule O=C(C=Cc1ccc(F)cc1)Oc1ccc2nc[nH]c2c1 to have a lower QED value.,O=C(C=Cc1ccc(F)cc1)Oc1ccc2nc(O)[nH]c2c1
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",COc1ccccc1Cc1coc(CNC(=O)C(O)C(O)C(=O)N2CCc3ccccc3C2C2CC2)n1
BondNum,"The molecule contains 19 single bonds, 2 double bonds, and 8 rotatable bonds.",CCC(CC(=O)NCC(C(=O)[O-])C1CCOCC1)C(C)C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 ketone group, and 1 ester group.",CCOC(=O)COc1ccc(C(=O)C[NH3+])c(O)c1C
AddComponent,Add a amine to the molecule CCOC(=O)CCN(C(=O)Nc1ccc(OC)cc1)C1CC1.,COc1ccc(NC(=O)N(CCC(=O)OCCN)C2CC2)cc1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ccc(S(=O)(=O)N(CCO)CC(F)(F)F)s1 with a halo.,Cc1ccc(S(=O)(=O)N(CCCl)CC(F)(F)F)s1
DelComponent,Modify the molecule Cc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OC(C)C(=O)[O-])cc1 by removing a benzene ring.,Cc1cc2oc(C)c(OC(C)C(=O)[O-])c(=O)c2cc1C
LogP,Please modify the molecule O=[N+]([O-])c1cccc(CCC(Cl)c2ccccc2)c1 to decrease its LogP value.,O=[N+]([O-])c1cccc(CCC(S)c2ccccc2)c1
MR,Modify the molecule CC1(Nc2cccc(Cl)n2)CCOCC1 to decrease its MR value.,CC1(c2cccc(Cl)n2)CCOCC1
QED,Please modify the molecule O=C([O-])c1c(Br)cc(F)cc1OC(F)(F)F to decrease its QED value.,O=C([O-])c1ccc(F)cc1OC(F)(F)F
AtomNum,"The molecule is composed of 17 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",Oc1ccc(CC([NH2+]CCc2cc(O)ccc2O)C(O)(O)O)cc1
BondNum,"There is a molecule with 11 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",O=C([O-])c1ccc(C[NH+]2CCC(c3ccnc4ccnn34)CC2)cc1
FunctionalGroup,"There is a molecule consisting of 1 halo group, and 1 nitrile group.",CC1CC(CC2CCCCC2)CC(F)C1C#N
AddComponent,Please add a hydroxyl to the molecule CCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1OCC.,CCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1OC(C)O
SubComponent,Modify the molecule halo by substituting a CCSCCC[NH2+]C(CCCl)COC with a aldehyde.,CC(=O)CCC(COC)[NH2+]CCCSCC
DelComponent,Modify the molecule nitrile by removing a CC1CCCN(S(=O)(=O)c2ccsc2C#N)C1.,CC1CCCN(S(=O)(=O)c2ccsc2)C1
LogP,Modify the molecule Oc1ccccc1N=Nc1ccccc1NCc1ccccc1 to have a higher LogP value.,Sc1ccccc1N=Nc1ccccc1NCc1ccccc1
MR,Modify the molecule CC(C)Cc1nc(-c2ccc(Br)cn2)nc(Cl)c1Br to have a lower MR value.,CC(C)Cc1nc(-c2ccc(C#N)cn2)nc(Cl)c1Br
QED,Please modify the molecule CCc1nn(C)c(CC(C)CC(=O)[O-])c1Cl to decrease its QED value.,CCc1nn(C)c(CC(C)CC(=O)[O-])c1O
AtomNum,"The molecule consists of 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",O=C(CCCc1ccc(Cl)cc1)NCCc1cscn1
BondNum,"There is a molecule with 14 single bonds, 2 double bonds, 1 rotatable bond, and 6 aromatic bonds.",CC(C)(C)OC(=O)NC1CNc2ccc(F)cc2NC1=O
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,CC1(C)CC([NH2+]CCC(C)(Cc2ccccc2)C2CC2)CCO1
AddComponent,Add a benzene ring to the molecule Cc1ccccc1C1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc(C(F)(F)F)c1.,Cc1ccccc1C1c2cc(-c3ccccc3)cn2-c2ccccc2CN1C(=O)Nc1cccc(C(F)(F)F)c1
SubComponent,Please substitute a COC(C)COc1ccc2cc(C#CCCCl)ccc2c1 in the molecule halo with a nitrile.,COC(C)COc1ccc2cc(C#CCCC#N)ccc2c1
DelComponent,Please remove a benzene ring from the molecule COC(=O)C(C[NH3+])(Cc1csc(C)n1)c1ccccc1.,COC(=O)C(C[NH3+])Cc1csc(C)n1
LogP,Optimize the molecule COc1ccc(C(=O)N(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 to have a lower LogP value.,COC(=O)N(CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O
MR,Modify the molecule O=C(Oc1ccc2ccc(=O)oc2c1)c1ccc(Cl)cc1Cl to have a higher MR value.,O=C([OH])c1ccc(C(=O)Oc2ccc3ccc(=O)oc3c2)c(Cl)c1
QED,Modify the molecule CC(=O)C(=C[NH3+])C(=O)c1ccccc1 to decrease its QED value.,CC(=O)C(C=O)=C[NH3+]
AtomNum,"The molecule has 32 carbon atoms, 6 oxygen atoms, and 6 nitrogen atoms.",CNC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3cc(C(=O)N4CCOCC4)ccc3C)CC2)c(C)c1
BondNum,"Please generate a molecule consisting 5 single bonds, 3 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cn1cc(C(=O)c2cccc(S(C)(=O)=O)c2)cn1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 3 halo groups.",O=C(Nc1ccc(C(O)CC[NH+]2CCOCC2)cc1)c1ccccc1C(F)(F)F
AddComponent,Please add a amine to the molecule CCC(=O)N(CCCC(C)O)c1cc(C2=CCCCC2)sc1C(=O)[O-].,CCC(=O)N(CC(N)CC(C)O)c1cc(C2=CCCCC2)sc1C(=O)[O-]
SubComponent,Please substitute a hydroxyl in the molecule C=C(C)CC(O)CCC(C)O with a carboxyl.,C=C(C)CC(CCC(C)O)C(=O)[OH]
DelComponent,Please remove a amide from the molecule CC(C)(C)N1CC(NS(=O)(=O)CCc2ccccc2)CC1=O.,CC(C)(C)CCNS(=O)(=O)CCc1ccccc1
LogP,Modify the molecule COc1ccc2c(C[NH3+])c[nH]c2c1F to have a lower LogP value.,COc1ccc2c(C[NH3+])c[nH]c2c1
MR,Modify the molecule CCCNc1cc(NC(CO)CO)nc(C)n1 to increase its MR value.,CCCNc1cc(NC(CO)CNO)nc(C)n1
QED,Modify the molecule Cc1nc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)sc1-c1nccn1C to have a higher QED value.,Cc1nc(NC(=O)Cc2csc(-c3cccc(C#N)c3)n2)sc1-c1nccn1C
AtomNum,"There is a molecule with 20 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",CC(Nc1ccc([N+](=O)[O-])cn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
BondNum,"The molecule has 14 single bonds, 1 double bond, 10 rotatable bonds, and 6 aromatic bonds.",CCCC[NH+](CCCC)Cc1cc(=O)c([O-])cn1CCC
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 3 halo groups.",[NH3+]CCC#Cc1ccccc1OC(F)(F)F
AddComponent,Modify the molecule CN(Cc1csc(C#CC[NH3+])c1)C(=O)N1CCOCC1 by adding a hydroxyl.,CN(Cc1csc(C#CC([NH3+])O)c1)C(=O)N1CCOCC1
SubComponent,Please substitute a CC(=CCOC(=O)CBr)CCC=C(C)CCc1ccccc1 in the molecule halo with a aldehyde.,CC(=O)CC(=O)OCC=C(C)CCC=C(C)CCc1ccccc1
DelComponent,Remove a halo from the molecule Cn1cc(Cl)c(C(=O)C=Cc2ccc(COc3ccc(Cl)cc3Cl)o2)n1.,Cn1cc(Cl)c(C(=O)C=Cc2ccc(COc3ccc(Cl)cc3)o2)n1
LogP,Modify the molecule CCCCC(CC(O)C[NH3+])(c1ccc(F)cc1)c1ccc(F)cc1 to decrease its LogP value.,CCCCC(CC(O)C[NH3+])(c1ccc(F)cc1)c1ccc(F)cc1O
MR,Optimize the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(F)c(F)c3F)CC2)cccc1C(=O)N1CCCC(C)C1 to have a lower MR value.,Cc1c(NC(=O)C[NH+]2CCC3CCC(C(=O)Nc4ccc(F)c(F)c4F)C3C2)cccc1C(=O)N1CCCC(C)C1
QED,Modify the molecule C[NH+]=C(NCCc1cc(C)ccc1OC)NCC(OC)c1ccc(F)cc1 to have a lower QED value.,C[NH+]=C(NCCc1cc(C)ccc1OC)NCC(OCc1ccccc1)c1ccc(F)cc1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Nc1ccc(-c2c(C(=O)[O-])nnn2C2CCCOC2)cc1
BondNum,"There is a molecule consisting of 13 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",CN(C)c1ccc(NC(=O)C2CCCN(c3nc4ccccc4s3)C2)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 5 amine groups, 4 halo groups, 1 nitrile group, and 1 sulfide group.",Cc1ncsc1C(Nc1cc(Cl)c2ncc(C#N)c(Nc3ccc(Cl)c(Cl)c3F)c2c1)C1=CNNN1
AddComponent,Modify the molecule O=C(NC1CC[NH+](Cc2ccccc2)C1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 by adding a hydroxyl.,O=C(NC1CC[NH+](Cc2cccc(O)c2)C1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3
SubComponent,Substitute a halo in the molecule CCCCOc1ccc(-c2nc(C3CC(=O)N(Cc4ccc(C(F)(F)F)cc4)C3)no2)cc1 with a aldehyde.,CC(=O)C(F)(F)c1ccc(CN2CC(c3noc(-c4ccc(OCCCC)cc4)n3)CC2=O)cc1
DelComponent,Modify the molecule Nc1cccc2c1C[NH+](CC1CSc3ccccc31)C2 by removing a amine.,c1ccc2c(c1)C[NH+](CC1CSc3ccccc31)C2
LogP,Please optimize the molecule CCN(Cc1ccc(OC)c(F)c1)C(=O)COC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1 to have a higher LogP value.,CCN(Cc1ccc(OC)c(S)c1)C(=O)COC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1
MR,Please modify the molecule CC1CCC2(C)CC(=O)CCC2C1 to increase its MR value.,CC1CC2CCC(=O)CC2(C)C(c2ccccc2)C1
QED,Please optimize the molecule COC1CC[NH+](CCn2cc(N)cn2)CC1 to have a higher QED value.,COC1CC[NH+](CCn2cccn2)CC1
AtomNum,"The molecule consists of 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccnc(CSc2ccc(C[NH3+])cc2)c1OC
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",Cn1cc(C(=O)N2CC[NH+](CCOc3cccnc3)CC2)c2ccccc21
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, and 1 halo group.",CC(C)OCC[NH+](C)Cc1ccc(Cl)c(N)c1
AddComponent,Modify the molecule CC1CCCC(C)N1NC1CCCC(C)(C)CC1 by adding a benzene ring.,CC1CCCC(C)(c2ccccc2)N1NC1CCCC(C)(C)CC1
SubComponent,Please substitute a Cc1ccccc1NC(=O)CC(O)c1ccc(Cl)cc1 in the molecule hydroxyl with a nitro.,Cc1ccccc1NC(=O)CC(NO)c1ccc(Cl)cc1
DelComponent,Modify the molecule benzene ring by removing a CC(O)C(C)(C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1.,CC(O)C(C)(C)NC(=O)Oc1ccc(C#N)cc1
LogP,Modify the molecule CC(C)(C)Cn1cc(-c2ccc(C#N)nc2-c2ccn3cc(C(F)(F)F)[nH+]c3c2)cn1 to decrease its LogP value.,CC(C)(C)Cn1cc(-c2cc(O)c(C#N)nc2-c2ccn3cc(C(F)(F)F)[nH+]c3c2)cn1
MR,Optimize the molecule CCC1CCC(C)[NH+]1Cc1ccc(F)cc1C(=O)[O-] to have a higher MR value.,CCC1CCC(C)[NH+]1Cc1ccccc1C(=O)[O-]
QED,Optimize the molecule O=C(Cc1ccncc1)NN(Cc1ccccc1)c1ncc[nH]1 to have a higher QED value.,c1ccc(CN(c2ccncc2)c2ncc[nH]2)cc1
AtomNum,"The molecule has 28 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",CC12C=CC(=O)C=C1CCC1C3(C)CC4CN(c5ccccc5)OC4(C(=O)[O-])C3(C)CC(O)C12F
BondNum,"The molecule has 10 single bonds, 2 double bonds, 5 rotatable bonds, and 23 aromatic bonds.",COc1cccc(NC(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1C
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, and 3 halo groups.",Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1Cl
AddComponent,Please add a carboxyl to the molecule COCCc1ccc(Oc2c(F)cccc2C(=O)[O-])cc1.,COCCc1ccc(Oc2c(F)cccc2C(=O)[O-])cc1C(=O)O
SubComponent,Please substitute a halo in the molecule CCOc1ccc2c(oc3c(=O)c4cc(F)ccc4[nH]c32)c1C with a aldehyde.,CC(=O)c1ccc2[nH]c3c(oc4c(C)c(OCC)ccc43)c(=O)c2c1
DelComponent,Remove a benzene ring from the molecule CC12CN(C(=O)OCc3ccccc3)CC1C1(CC1)C2.,COC(=O)N1CC2C(C)(C1)CC21CC1
LogP,Please optimize the molecule C=CC1CCC(Cc2ccc(Cc3ccc(Cc4ccc(CC)cc4)cc3)cc2)CC1 to have a lower LogP value.,C=CC1CCC(CCc2ccc(Cc3ccc(CC)cc3)cc2)CC1
MR,Optimize the molecule COc1ccc(C(CNC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)[NH+]2CCOCC2)cc1 to have a higher MR value.,COc1ccc(C(CNC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)[NH+]2CCOCC2N)cc1
QED,Optimize the molecule CC(=O)NCCc1ccc(C(=O)CSc2nncn2-c2ccccc2F)cc1 to have a lower QED value.,CC(=O)NCCc1ccc(C(=O)CSc2nncn2-c2ccccc2F)cc1O
AtomNum,"There is a molecule consisting of 7 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CCn1nc(C)c2[nH]nnc(=O)c21
BondNum,"The molecule consists of 18 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",COCCC(=O)N1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 2 amide groups.",CCCCCNC(=O)C(c1ccc(C)cc1C)N(CC)C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
AddComponent,Modify the molecule O=C([O-])C1=CC=CC2=CC=C3C(=O)c4cccc5c4C(=C3C21)CC=C5 by adding a hydroxyl.,O=C([O-])C1=CC=CC2=CC=C3C(=O)c4cccc5c4C(=C3C21O)CC=C5
SubComponent,Modify the molecule Cc1nccn1-c1ccc(CNC(=O)N2CCC3OCC[NH+](C)C3C2)cc1F by substituting a halo with a aldehyde.,CC(=O)c1cc(CNC(=O)N2CCC3OCC[NH+](C)C3C2)ccc1-n1ccnc1C
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(NC(=O)CS(=O)(=O)CC(=O)N(C)Cc2ccccc2)cc1.,CNC(=O)CS(=O)(=O)CC(=O)N(C)Cc1ccccc1
LogP,Please modify the molecule Cc1ccc(C)c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 to increase its LogP value.,Cc1ccc(C)c(SCc2nnc(-c3ccc(I=O)cc3)o2)c1
MR,Please modify the molecule NC(=O)C(C(N)=O)C1CCCCC12OCCO2 to increase its MR value.,NC(=O)C(C(N)=O)C1(CC=O)CCCCC12OCCO2
QED,Please optimize the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3nnc(C(C)C)s3)CC2)cccc1C(=O)Nc1ccc(F)cc1F to have a lower QED value.,Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3nnc(C(C)C)s3)CC2)cccc1C(=O)Nc1ccc(O)cc1F
AtomNum,"There is a molecule composed of 16 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCCOc1ccc(C(CS(=O)CCOC)NCC)cc1
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",O=C(c1cccc2nccnc12)N1CCCC1CCl
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 2 amine groups.",CCCN(CCC)C(=O)C1=Cc2ccc(OCc3ccccc3)cc2NC(N=NN)C1
AddComponent,Please add a benzene ring to the molecule N#Cc1nc2nc(Nc3ccc(Cl)nc3)sc2cc1Nc1ccc(F)c(Cl)c1.,N#Cc1nc2nc(Nc3ccc(Cl)nc3)sc2cc1Nc1ccc(F)c(Cl)c1-c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule CC1C[NH2+]CCC1(O)Cc1ccc(Cl)c(F)c1 with a thiol.,CC1C[NH2+]CCC1(S)Cc1ccc(Cl)c(F)c1
DelComponent,Remove a CC(NC(=O)C1(C[NH3+])CCCCC1)c1ncc[nH]1 from the molecule amide.,CC1(c2ncc[nH]2)CCCCC1C[NH3+]
LogP,Optimize the molecule Cn1cc(C(=O)[O-])[nH+]c1-c1ccc(Cl)cc1 to have a lower LogP value.,Cn1cc(C(=O)[O-])[nH+]c1-c1ccc(NO)cc1
MR,Modify the molecule Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccsc2c1=O to have a higher MR value.,Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(F)(F)S)nc2ccsc2c1=O
QED,Optimize the molecule O=C(C=Cc1ccc2c(c1)CCO2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 to have a lower QED value.,O=C(C=Cc1ccc2c(c1-c1ccccc1)CCO2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
AtomNum,"The molecule has 9 carbon atoms, 2 oxygen atoms, and 6 chlorine atoms.",OCC1C(CO)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl
BondNum,"The molecule consists of 6 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",CCOc1cncc(-c2ncc(N)cc2C)c1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 ester group, and 1 amide group.",CCOc1ccccc1C1NC(=O)N(CC(=O)Nc2cc(C)ccc2C)C2=C1C(=O)OC2
AddComponent,Please add a amine to the molecule O=C(NCc1ccccc1F)c1cc(F)ccc1F.,Nc1ccc(F)c(CNC(=O)c2cc(F)ccc2F)c1
SubComponent,Please substitute a CCCCCC(C)N1C(=O)c2ccc(C#Cc3ccc(C#N)c4nsnc34)cc2C1=O in the molecule nitrile with a nitro.,CCCCCC(C)N1C(=O)c2ccc(C#Cc3ccc(NO)c4nsnc34)cc2C1=O
DelComponent,Please remove a benzene ring from the molecule Cc1nnnn1C(Cc1cccc(F)c1)C(=O)N1CC2CCC(C1)O2.,Cc1nnnn1C(CF)C(=O)N1CC2CCC(C1)O2
LogP,Please optimize the molecule O=C(NCc1nnnn1C1CCCCC1)c1ccccc1S(=O)(=O)C(F)F to have a lower LogP value.,ONC(F)S(=O)(=O)c1ccccc1C(=O)NCc1nnnn1C1CCCCC1
MR,Modify the molecule CC(=O)c1cccc(OCC(O)C[NH+]2CCN(c3ccccn3)CC2)c1 to have a higher MR value.,CC(=O)c1cccc(OCC(Br)C[NH+]2CCN(c3ccccn3)CC2)c1
QED,Optimize the molecule Clc1ccc(-c2nc(CSc3nnc(-c4cccs4)n3Cc3ccccc3)cs2)cc1 to have a lower QED value.,Clc1ccc(-c2nc(CSc3nnc(-c4cccs4)n3C(c3ccccc3)c3ccccc3)cs2)cc1
AtomNum,"The molecule contains 14 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCC(CC)CNC(=O)CSCC(=O)N1CCOCC1
BondNum,"The molecule consists of 10 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",C[NH2+]Cc1csc(S(=O)(=O)N2CCCc3ccccc32)c1
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,CCC1(CC)c2ccccc2N2c3ncccc3N(c3ccccc3)C2C1C
AddComponent,Add a amine to the molecule Cc1cccc(N)c1OCC(NC(=O)OC(C)(C)C)C(=O)[O-].,Cc1cccc(N)c1OCC(NC(=O)OC(C)(C)CN)C(=O)[O-]
SubComponent,Substitute a halo in the molecule COC1(CO)CC(O)C(O)C(n2c3cc(F)c(F)cc3c3c4c(c5c6cc(F)c(F)cc6[nH]c5c32)C(=O)NC4=O)O1 with a aldehyde.,CC(=O)c1cc2c(cc1F)c1c3c(c4c5cc(F)c(F)cc5[nH]c4c1n2C1OC(CO)(OC)CC(O)C1O)C(=O)NC3=O
DelComponent,Please remove a NC(=O)c1cccc2c1c1c(OCC(=O)NC(CC(=O)[O-])C(=O)[O-])cccc1n2Cc1ccccc1 from the molecule benzene ring.,Cn1c2cccc(OCC(=O)NC(CC(=O)[O-])C(=O)[O-])c2c2c(C(N)=O)cccc21
LogP,Modify the molecule CCC1CCC(O)(CNC(=O)C2CCC([NH3+])C2)CC1 to have a higher LogP value.,CCC1CCC(O)(CC2CC([NH3+])C2)CC1
MR,Please modify the molecule Cc1csc(S(=O)(=O)C2CC2c2cc(N3CCOCC3C)nc(-c3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)n2)n1 to increase its MR value.,Cc1csc(S(=O)(=O)C2CC2c2cc(N3CCOCC3C)nc(-c3ccc(NC(=O)Nc4ccc(C(F)(F)NO)cc4)cc3)n2)n1
QED,Please modify the molecule C[NH2+]Cc1cc(OCCOCCOCCOC)ncc1Cl to decrease its QED value.,C[NH2+]Cc1cc(OCCOCCOCCOC)ncc1C#N
AtomNum,"There is a molecule composed of 10 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC[NH+](C)CCNS(=O)(=O)c1c[nH+]ccc1N
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, 6 rotatable bonds, and 5 aromatic bonds.",Cc1nc(N(CCCC(=O)[O-])C(C)C)sc1C
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ketone group, 1 ester group, 3 halo groups, 2 thioether groups, and 1 sulfide group.",COC(=O)C(SC(F)(F)F)C(=O)c1ccc(C)cc1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(Br)c(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1.,COc1cc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(Br)cc1O
SubComponent,Substitute a halo in the molecule Cc1ccc(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)ccc2OC(=O)C=Cc2ccccc2)cc1 with a nitrile.,Cc1ccc(-c2nc3ccccc3c(=O)n2N=Cc2cc(C#N)ccc2OC(=O)C=Cc2ccccc2)cc1
DelComponent,Modify the molecule COc1cccc(NC(=O)CCN(C(C)=O)c2ccccc2Cl)c1 by removing a amide.,COc1cccc(CN(C(C)=O)c2ccccc2Cl)c1
LogP,Optimize the molecule CCOC(=O)C1(Cc2ccc(Br)s2)CCCCC1=O to have a lower LogP value.,CCOC(=O)C1(Cc2ccc(O)s2)CCCCC1=O
MR,Modify the molecule CCC[NH2+]C(c1cc(Cl)ccc1OC)C(OC)OC to increase its MR value.,CCC[NH2+]C(c1cc(S)ccc1OC)C(OC)OC
QED,Please optimize the molecule CC(O)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 to have a higher QED value.,CC(Cl)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1
AtomNum,"The molecule is composed of 27 carbon atoms, 8 oxygen atoms, 6 nitrogen atoms, and 2 fluorine atoms.",CCCNC(=O)C(F)(F)C(=O)C(C(C)C)[NH+]1CCCC1C(=O)NC(=O)C([NH3+])(C(=O)CN1CCN(CC(=O)[O-])C1=O)C(C)C
BondNum,"The molecule contains 16 single bonds, 6 rotatable bonds, and 23 aromatic bonds.",CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1c(C)ccc2ccccc12
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 2 ketone groups, 1 amide group, and 1 sulfide group.",Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccccc2O)s1
AddComponent,Add a benzene ring to the molecule CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(C(C)=O)cc3)ccc21.,CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3CCc2ccccc2)cc1
SubComponent,Modify the molecule CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C=Cc1ccc(F)cc1 by substituting a halo with a hydroxyl.,CCCN(Cc1nnc(-c2ccccc2O)o1)C(=O)C=Cc1ccc(F)cc1
DelComponent,Modify the molecule CC(C)c1ccc(-c2sc(NCc3ccc(C(=O)NCCC(=O)[O-])cc3)nc2-c2ccc(C(F)(F)F)cc2)cc1 by removing a amine.,CC(C)c1ccc(-c2sc(Cc3ccc(C(=O)NCCC(=O)[O-])cc3)nc2-c2ccc(C(F)(F)F)cc2)cc1
LogP,Please modify the molecule Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC(CO)C3)cc2)cc1C to decrease its LogP value.,Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC(CO)C3)cc2)ccc1CC(=O)O
MR,Modify the molecule Clc1cc(Cl)c(NCCCC2CCCC2)nc1Cl to decrease its MR value.,Clc1ccc(NCCCC2CCCC2)nc1Cl
QED,Please optimize the molecule CC[NH+]1CCCC1CNC(NCC(C)C)=[NH+]Cc1ccc([N+](=O)[O-])cc1 to have a lower QED value.,CC[NH+]1CCCC1CNC(NCC(C)C)=[NH+]Cc1ccc([N+](=O)[O-])cc1C#N
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)(NS(=O)(=O)N1CCCC(C[NH2+]C2CC2)C1)C1CC1
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 7 rotatable bonds, and 23 aromatic bonds.",COC(Cn1ccnc1-c1[nH]ncc(=O)c1[O-])C(c1ccccc1)c1ccccc1
FunctionalGroup,"The molecule has 1 halo group, and 1 sulfide group.",C[NH2+]Cc1cnc(N(C)Cc2csc(Br)c2)c(C)c1
AddComponent,Please add a aldehyde to the molecule C=CCOc1cccc(NC(=O)CSCc2cccc(Cl)c2)c1.,C=CCOc1cccc(NC(=O)CSCc2cc(Cl)cc(CC=O)c2)c1
SubComponent,Substitute a O=C(Cc1ccc(F)cc1Cl)c1cc(F)ccc1Br in the molecule halo with a hydroxyl.,O=C(Cc1ccc(O)cc1Cl)c1cc(F)ccc1Br
DelComponent,Modify the molecule hydroxyl by removing a NC(=O)N1CCC([NH2+]C2CCCCC2O)CC1.,NC(=O)N1CCC([NH2+]C2CCCCC2)CC1
LogP,Please modify the molecule Cc1ccnc(N2CCCC(N3CC[NH2+]CC3=O)C2)c1C#N to increase its LogP value.,Cc1ccnc(N2CCCC(N3CC[NH2+]CC3=O)C2)c1
MR,Please modify the molecule C[NH+]=C(NCCC(=O)NC(C)C)NCC(=O)NC(C)(C)C to decrease its MR value.,C[NH+]=C(NCC(=O)NC(C)(C)C)NCC(C)C
QED,Optimize the molecule Cn1cc2c(c1)OC(C)(C)C(C)(C)O2 to have a higher QED value.,Cn1cc2c(c1)OC(C)(Cc1ccccc1)C(C)(C)O2
AtomNum,"The molecule contains 33 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, 3 fluorine atoms, and 2 chlorine atoms.",CC(C)CC([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C(Cc2ccc(Cl)cc2Cl)N2CCN(CC[NH+](C)C)CC2=O)CC1
BondNum,"Please generate a molecule composed of 21 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 1 hydroxyl group, and 1 amide group.",CCOc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)C2c2cccc(OC)c2OC)cc1OCC
AddComponent,Add a hydroxyl to the molecule O=C([O-])CC(O)C[NH+](CCO)Cc1ccccc1.,O=C([O-])CC(O)C[NH+](Cc1ccccc1)CC(O)O
SubComponent,Substitute a halo in the molecule CCC(=O)Nc1cnc(Cl)c(Cl)c1 with a hydroxyl.,CCC(=O)Nc1cnc(O)c(Cl)c1
DelComponent,Modify the molecule amide by removing a O=C1CN(C(=O)C=Cc2ccc(OC(F)F)cc2OC(F)F)c2ccccc2N1.,O=C(C=Cc1ccc(OC(F)F)cc1OC(F)F)N1c2ccccc21
LogP,Modify the molecule c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc6ccccc56)nc5ccc(-c6cccc7ccccc67)cc45)c3)n2)cc1 to have a lower LogP value.,c1ccc(-c2ccnc(-c3cccc(-c4cc(-c5cccc6ccccc56)nc5ccc(-c6cccc7ccccc67)cc45)c3)n2)cc1
MR,Modify the molecule Cc1cc(-c2csc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)n2)ccc1F to increase its MR value.,Cc1cc(-c2csc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)n2)ccc1O
QED,Optimize the molecule CCC(C)[NH2+]CC(=O)N(C)CC(=O)Nc1ccccc1 to have a higher QED value.,CCC(C)[NH2+]CC(=O)N(C)c1ccccc1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CC(C)[NH2+]CC(O)COc1ccc2c(c1)OCCNC2=O
BondNum,"There is a molecule composed of 21 single bonds, 3 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",CCCCOc1cc([N+](=O)[O-])c(C(=O)C2CC(F)CC2CC(=O)OC)cc1OC
FunctionalGroup,There is a molecule with and 1 sulfide group.,Cn1cc(-c2csc(C[NH2+]CC3CC3)n2)cn1
AddComponent,Add a benzene ring to the molecule COC(=O)C1=C(C)NC(=S)NC1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1.,COC(=O)C1=C(C)NC(=S)NC1c1cn(-c2cccc(-c3ccccc3)c2)nc1-c1ccc(Br)cc1
SubComponent,Modify the molecule COC(=O)c1ccc(COc2cc(C(F)(F)F)ccc2NS(=O)(=O)c2ccccc2C(C)C)cc1 by substituting a halo with a carboxyl.,COC(=O)c1ccc(COc2cc(C(F)(F)C(=O)[OH])ccc2NS(=O)(=O)c2ccccc2C(C)C)cc1
DelComponent,Remove a nitrile from the molecule N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(C(=O)[O-])c2)cc1.,N#Cc1ccc(Oc2cc(Oc3ccccc3)cc(C(=O)[O-])c2)cc1
LogP,Please modify the molecule CCCCCCC1CCCCCCCCCC(=O)OC(C)COC1=O to decrease its LogP value.,CCCCCCC1CCCCC(O)CCCCC(=O)OC(C)COC1=O
MR,Please optimize the molecule Cc1cc(C(O)CCCC(C)C)n(C)n1 to have a higher MR value.,Cc1cc(C(C#N)CCCC(C)C)n(C)n1
QED,Modify the molecule CCN(C)C(=O)C(C)NC(=O)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Br to have a higher QED value.,CCN(C)C(=O)C(C)NC(=O)c1cc(NC(=O)c2ccccc2Cl)n[nH]1
AtomNum,"The molecule contains 60 carbon atoms, 11 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 3 fluorine atoms.",CCCCCCCCOc1c2cccc1Cc1cc(C(=O)NS(=O)(=O)C(F)(F)F)cc3c1OCCOCCOc1ccccc1OCCOCCOc1c(cccc1Cc1cccc(c1OCCCCCCCC)C3)C2
BondNum,"There is a molecule with 22 single bonds, 1 double bond, 13 rotatable bonds, and 18 aromatic bonds.",COc1cc(OCC(O)C[NH+]2CCN(Cc3ccccc3)CC2)c(C(=O)CCc2ccccc2)cc1OC
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 2 amide groups.",CCCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)C1CC1c1ccccc1
AddComponent,Modify the molecule COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cccnc1N(C)C by adding a hydroxyl.,COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cccnc1N(C)CO
SubComponent,Substitute a halo in the molecule Clc1ccccc1CCC[NH+]1CCN(c2cnccn2)CC1 with a carboxyl.,O=C([OH])c1ccccc1CCC[NH+]1CCN(c2cnccn2)CC1
DelComponent,Remove a amine from the molecule CC[NH+](CC)CCC[NH+](CC)Cc1nc(C)cc(NN)n1.,CC[NH+](CC)CCC[NH+](CC)Cc1nc(C)cc(N)n1
LogP,Modify the molecule COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c1 to decrease its LogP value.,COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1
MR,Optimize the molecule CCCc1ccc(N2CC(C(=O)Nc3ncccc3O)CC2=O)cc1 to have a higher MR value.,CCCc1ccc(N2CC(N)(C(=O)Nc3ncccc3O)CC2=O)cc1
QED,Optimize the molecule [N-]=[N+]=NCC(=O)Cc1ccccc1 to have a higher QED value.,[N-]=[N+]=NCC(=O)C(c1ccccc1)c1ccccc1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CNC(NCCS(=O)(=O)N1CCc2ccccc21)=[NH+]C
BondNum,"The molecule has 10 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCOc1ccc(C(=O)[O-])cc1C(=O)CCC(=O)[O-]
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ketone group, 1 ester group, 2 thioether groups, and 1 sulfide group.",COC(=O)C([NH3+])(CSC(C)c1ccccc1)C(=O)C([NH3+])CC(=O)[O-]
AddComponent,Please add a aldehyde to the molecule C#CCC(NC(=O)C[NH+]1CCOCC1)C(=O)NC(Cc1ccc(OC)cc1)C(=O)OCCCC.,C#CCC(NC(=O)C[NH+]1CCOCC1)C(=O)NC(Cc1ccc(OC)c(CC=O)c1)C(=O)OCCCC
SubComponent,Modify the molecule Cc1ccccc1NC(=O)c1cccc(C)c1NC(=O)C(C)NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)CC1 by substituting a halo with a carboxyl.,Cc1ccccc1NC(=O)c1cccc(C)c1NC(=O)C(C)NC(=O)C1CC[NH+](CC(=O)Nc2ccc(C(=O)[OH])c(C(=O)N3CCC(C)CC3)c2)CC1
DelComponent,Remove a COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1nc(CC(=O)[O-])c(Cl)s1 from the molecule halo.,COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1nc(CC(=O)[O-])cs1
LogP,Modify the molecule O=C(CCCc1cccnc1)NCc1ccc(Cl)cc1 to decrease its LogP value.,CC(=O)c1ccc(CNC(=O)CCCc2cccnc2)cc1
MR,Please optimize the molecule Cc1cccc(C[NH+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1 to have a lower MR value.,CC[NH+]1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1
QED,Modify the molecule C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC(C)C3)nc2cc(C(=O)[O-])ccc2c1=O to have a higher QED value.,C=CCn1c(SCC(=O)Nc2cc3c(s2)CC(C)CC3)nc2cc(C(=O)[O-])ccc2c1=O
AtomNum,"There is a molecule composed of 14 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",[NH3+]C(CC(=O)NC1CC=CC1)c1ccccc1
BondNum,"The molecule has 19 single bonds, 5 double bonds, 8 rotatable bonds, and 23 aromatic bonds.",CCCC(OC(=O)c1cc(-c2ccc(N3C(=O)C4CC=CCC4C3=O)cc2)nc2ccccc12)C(=O)c1ccccc1
FunctionalGroup,The molecule has and 1 sulfide group.,Cc1c(-c2nnc3sc(-c4ccccn4)nn23)oc2ccccc12
AddComponent,Please add a thiol to the molecule CCC1CC1Nc1ccc(I)cc1[N+](=O)[O-].,O=[N+]([O-])c1cc(I)ccc1NC1CC1CCS
SubComponent,Modify the molecule hydroxyl by substituting a CC(=O)NCC1CC(C(O)[P+]([O-])(OCc2ccccc2)OCc2ccccc2)CC1OCc1ccccc1 with a nitro.,CC(=O)NCC1CC(C(NO)[P+]([O-])(OCc2ccccc2)OCc2ccccc2)CC1OCc1ccccc1
DelComponent,Remove a halo from the molecule Cc1ccc(NC(=O)COC(=O)c2ccccc2S(C)=O)c(Cl)c1.,Cc1ccc(NC(=O)COC(=O)c2ccccc2S(C)=O)cc1
LogP,Please modify the molecule Cc1cccc(Nc2ccccc2Cl)c1 to increase its LogP value.,Cc1cccc(Nc2c(Cl)cccc2-c2ccccc2)c1
MR,Please modify the molecule O=C(c1ccc2c(c1)OCO2)c1cc2cccc(Br)c2o1 to decrease its MR value.,O=C(c1ccc2c(c1)OCO2)c1cc2ccccc2o1
QED,Optimize the molecule CC[NH2+]C1CCCCC(c2sccc2C)C1 to have a higher QED value.,CC[NH2+]C1CCCCC(c2ccccc2)(c2sccc2C)C1
AtomNum,"The molecule consists of 20 carbon atoms, and 7 oxygen atoms.",O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(O)c([O-])c21
BondNum,"The molecule contains 17 single bonds, 3 double bonds, 8 rotatable bonds, and 22 aromatic bonds.",CCCOc1cccc(C2C(=C([O-])c3ccc(OCC)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1
FunctionalGroup,There is a molecule consisting of and 1 hydroxyl group.,CCCCCC(CO)CCCCC
AddComponent,Please add a aldehyde to the molecule CC1(C)CC1(C#N)NC(=O)c1ccnn1C1CCCC1.,CC1(C)CC1(C#N)NC(=O)c1ccnn1C1CCCC1CC=O
SubComponent,Please substitute a halo in the molecule COC(=O)C(C)NS(=O)(=O)c1cccc(Br)c1 with a thiol.,COC(=O)C(C)NS(=O)(=O)c1cccc(S)c1
DelComponent,Remove a amide from the molecule CCc1cccc(OCC(=O)N(CC(N)=O)CC(=O)[O-])c1.,CCc1cccc(OC(CC(=O)[O-])C(N)=O)c1
LogP,Please modify the molecule CC(Br)C(=O)c1ccc(Br)c(C(F)F)c1 to decrease its LogP value.,CC(O)C(=O)c1ccc(Br)c(C(F)F)c1
MR,Modify the molecule CCOC1CC([NH3+])(C(=O)N2CC(=O)NC(=O)C2C)C1(C)C to have a lower MR value.,CCOC1CC([NH3+])(C(=O)N2C(=O)C2C)C1(C)C
QED,Please optimize the molecule C[NH+](C)Cc1nc2cc(-c3ccccc3-c3nn[n-]n3)ccc2n1CCCCCCCC(=O)[O-] to have a higher QED value.,C[NH+](C)Cc1nc2cc(-c3nn[n-]n3)ccc2n1CCCCCCCC(=O)[O-]
AtomNum,"The molecule has 19 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 2 chlorine atoms.",CN(C)c1ccc(C2=C(C#N)C3(C#N)C(=O)C(Cl)=C(Cl)C(=O)C23C#N)cc1
BondNum,"The molecule is composed of 17 single bonds, 2 double bonds, and 3 rotatable bonds.",CC(C)C(C1=C([O-])CCCC1=O)[NH+]1CCCCC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ketone group, 1 amine group, and 4 halo groups.",C=C1C=C(CC(=O)Cc2ccc(-c3cnc4c(N)cccc4c3)cc2F)C=C(C(C)(C)C(F)(F)F)O1
AddComponent,Please add a benzene ring to the molecule CSc1ccc(C2NC(=O)N[NH2+]2)cc1.,O=C1N[NH2+]C(c2ccc(SCc3ccccc3)cc2)N1
SubComponent,Please substitute a halo in the molecule CCC[NH2+]Cc1ccccc1Oc1cc(Cl)ccc1C with a nitrile.,CCC[NH2+]Cc1ccccc1Oc1cc(C#N)ccc1C
DelComponent,Remove a halo from the molecule Nc1ccc(C=CC(=O)Nc2c(Br)cc(Br)cc2Br)cc1.,Nc1ccc(C=CC(=O)Nc2c(Br)cccc2Br)cc1
LogP,Modify the molecule Cc1cc(C)nc(Nc2ccccc2C(=O)NC(C)c2ccc(F)cc2)n1 to have a lower LogP value.,Cc1cc(C)nc(Nc2ccccc2C(=O)NC(C)c2ccc(F)cc2O)n1
MR,Optimize the molecule O=C(CSCc1ccc(Cl)cc1)NCc1cccnc1N1CCCCC1 to have a lower MR value.,Clc1ccc(CSCc2cccnc2N2CCCCC2)cc1
QED,Modify the molecule Nc1ncnc2c1ncn2C1OC(C(OP(=O)([O-])[O-])C(=O)CCO)C(O)C1O to have a lower QED value.,Nc1ncnc2c1ncn2C1OC(C(OP(=O)([O-])[O-])C(=O)CC(O)C(=O)O)C(O)C1O
AtomNum,"The molecule has 21 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, 2 sulfur atoms, 1 fluorine atom, and 1 chlorine atom.",Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1
BondNum,"Please generate a molecule with 13 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]C(c1c(F)ccc(C)c1F)C(C)(C)OCC
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, and 1 sulfone group.",CC(C)NS(=O)(=O)c1ccccc1[O-]
AddComponent,Please add a hydroxyl to the molecule CCC(C)NC(=O)NC(=O)CSC12CC3CC(CC(C3)C1)C2.,CCC(C)NC(=O)NC(=O)C(O)SC12CC3CC(CC(C3)C1)C2
SubComponent,Please substitute a halo in the molecule COc1ccccc1CNC(=O)Cc1cc(Br)ccc1F with a nitro.,COc1ccccc1CNC(=O)Cc1cc(NO)ccc1F
DelComponent,Modify the molecule amine by removing a N#Cc1cccnc1NC1Cc2ccccc2C1.,N#Cc1cccnc1C1Cc2ccccc2C1
LogP,Please optimize the molecule COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 to have a lower LogP value.,COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C(=O)[OH])ccc3Cl)o2)cc1
MR,Optimize the molecule O=C(COc1ccc(Cl)cc1CO)Nc1cccc(Cl)c1 to have a higher MR value.,CC(=O)Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1
QED,Modify the molecule O=C(Nc1ccn(-c2ccccc2F)n1)C1CCC(n2cnc3ccccc32)CC1 to have a lower QED value.,O=C(Nc1cc(O)n(-c2ccccc2F)n1)C1CCC(n2cnc3ccccc32)CC1
AtomNum,"The molecule has 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",O=C1CSC(c2sccc2Br)N1CCC[NH+]1CCCC1
BondNum,"Please generate a molecule with 20 single bonds, 4 double bonds, 13 rotatable bonds, and 24 aromatic bonds.",CCOc1ccccc1NC(=O)C(CC)Sc1cccc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, and 1 amine group.",COC1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)CO)n2)CC1
AddComponent,Please add a hydroxyl to the molecule COc1ccccc1Nc1cnn(C)c1.,COc1ccc(O)cc1Nc1cnn(C)c1
SubComponent,Modify the molecule nitro by substituting a CCn1c(O)c(N=NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 with a halo.,CCn1c(O)c(N=NC(=O)c2ccccc2I=O)c2ccccc21
DelComponent,Remove a hydroxyl from the molecule CCCC(NC(=O)C1CC2(C[NH+]1C(O)C(NC(=O)OC(C)(C)C)C(C)(C)C)SCCCS2)C(O)C(O)[NH2+]CC(=O)OC.,CCCC(NC(=O)C1CC2(C[NH+]1C(O)C(NC(=O)OC(C)(C)C)C(C)(C)C)SCCCS2)C(O)C[NH2+]CC(=O)OC
LogP,Modify the molecule CCCS(=O)(=O)NCc1cn2c([nH+]1)CCCC2 to decrease its LogP value.,CCCS(=O)(=O)NCc1[nH+]c2n(c1O)CCCC2
MR,Please optimize the molecule CCOCCN1CC(c2ccccc2)[NH2+]CC1C(C)(C)C to have a lower MR value.,CCOCCN1CC[NH2+]CC1C(C)(C)C
QED,Modify the molecule Nc1c(N=NC2=CC(=S(=O)=O)C=CC2=S(=O)=O)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12 to decrease its QED value.,Nc1c(N=NC2=C(C(=O)O)C(=S(=O)=O)C=CC2=S(=O)=O)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12
AtomNum,"The molecule consists of 23 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",CC=CCOc1ccc(C(=O)Cc2ccc(F)c(C3(C)CC(=O)N(C)C(N)=[NH+]3)c2)nc1
BondNum,"The molecule consists of 23 single bonds, 1 double bond, 8 rotatable bonds, and 6 aromatic bonds.",COCC1(C(=O)N2CCN(CC[NH+](C)Cc3ccccc3)CC2)CC[NH2+]CC1
FunctionalGroup,"There is a molecule composed of 1 amide group, and 1 sulfide group.",Cc1ccnc(OCCC2COC3CN(C(=O)c4cccs4)CC23)n1
AddComponent,Add a benzene ring to the molecule Cc1c(C(=O)N2CCN(c3ccccc3O)CC2)oc2c1C(=O)CC(C)(C)C2.,Cc1c(C(=O)N2CCN(c3ccccc3O)CC2c2ccccc2)oc2c1C(=O)CC(C)(C)C2
SubComponent,Substitute a COC(=O)CNc1ccc(C=C2Sc3ccc(S(=O)(=O)Cc4c(Br)cccc4Br)cc3NC2=O)cc1 in the molecule halo with a carboxyl.,COC(=O)CNc1ccc(C=C2Sc3ccc(S(=O)(=O)Cc4c(Br)cccc4C(=O)[OH])cc3NC2=O)cc1
DelComponent,Remove a halo from the molecule Cc1ccc(NC(=O)N2CC(C(=O)[O-])C(C(F)(F)F)C2)c(C)n1.,Cc1ccc(NC(=O)N2CC(C(=O)[O-])C(C(F)F)C2)c(C)n1
LogP,Optimize the molecule Cc1ccc(Cc2nc(C)c(Br)c(N)n2)cc1 to have a lower LogP value.,Cc1ccc(Cc2nc(C)c(S)c(N)n2)cc1
MR,Modify the molecule CCc1c(C)nn(-c2ccc(N)cc2)c1Cl to have a lower MR value.,CCc1cn(-c2ccc(N)cc2)nc1C
QED,Please optimize the molecule CC1CCN(c2cc(SCC(=O)NCc3ccc(F)cc3)ncn2)CC1 to have a lower QED value.,CC1CCN(c2cc(SCC(=O)NCF)ncn2)CC1
AtomNum,"There is a molecule consisting of 20 carbon atoms, and 1 oxygen atom.",CC1(C)CCC(C)(C)c2cc(C(=O)C3CC3(C)C)ccc21
BondNum,"The molecule contains 27 single bonds, 4 double bonds, 11 rotatable bonds, and 24 aromatic bonds.",CC(=O)OC1C(n2cc(C)c(=O)[nH]c2=O)OC2(COCc3ccccc3)C(OC(=O)c3ccccc3)C(O)C(O)CC12OCc1ccccc1
FunctionalGroup,The molecule is composed of and 1 amide group.,O=C(NC1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2
AddComponent,Modify the molecule COc1cc(OC)cc(C([NH3+])C2CC3CCC2O3)c1 by adding a amine.,COc1cc(C([NH3+])C2CC3CCC2O3)cc(OC)c1N
SubComponent,Modify the molecule Cc1cccc(C(=O)N2CCCC(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c1 by substituting a halo with a carboxyl.,Cc1cccc(C(=O)N2CCCC(NC(=O)c3ccc(C(=O)[OH])c(Cl)c3)C2)c1
DelComponent,Modify the molecule Cc1ccc(CC(C(=O)[O-])c2ccccc2Br)cc1 by removing a halo.,Cc1ccc(CC(C(=O)[O-])c2ccccc2)cc1
LogP,Optimize the molecule O=S(=O)(c1ccc(Cn2ccc3cc(O)ccc32)cc1)c1cccc(N2CCOCC2)c1 to have a lower LogP value.,O=S(=O)(c1ccc(Cn2ccc3cc(O)ccc32)cc1)N1CCOCC1
MR,Please modify the molecule CCOCC(=O)Nc1c[nH+]c2ccccc2c1NCC1(C(=O)OCC)CC1 to decrease its MR value.,CCOC(=O)C1(CNc2c(OCC)c[nH+]c3ccccc23)CC1
QED,Optimize the molecule COc1ccccc1N1CC(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O to have a higher QED value.,COc1ccccc1N1C(=O)CC1CC1(C(=O)[O-])CCOCC1
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",O=S(=O)(c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)nc1)N1CCCC1
BondNum,"There is a molecule with 20 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",Cn1c(C2COCCO2)nnc1N1CCCN(CC(F)F)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 1 halo group.",Cc1nc(-c2nc(C3=CCC=C(OC(C)(F)P)C=C3)no2)nn1Cc1cccc(C(=O)NC(C)(C)CO)c1
AddComponent,Modify the molecule CC(C)CCC(=O)N1CCCc2cc(N)ccc21 by adding a benzene ring.,CC(C)CCC(=O)N1CCCc2c1ccc(N)c2-c1ccccc1
SubComponent,Please substitute a Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC3c2nnc(-c3cccc(F)c3)o2)cc1F in the molecule halo with a thiol.,Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC3c2nnc(-c3cccc(S)c3)o2)cc1F
DelComponent,Remove a Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3Cl)c2NC(=O)C(C)C)cc1 from the molecule benzene ring.,Cc1ccc(-n2nc(C)c(=O)c(Cl)c2NC(=O)C(C)C)cc1
LogP,Please modify the molecule CC=C(C=CC=C(C)C)CC(C)C to decrease its LogP value.,CC(C)=CC=CC(=CCO)CC(C)C
MR,Optimize the molecule CCCOc1ccc(C(OC(c2ccc(Cl)cc2)c2ccc(OCCC)cc2)c2ccc(Cl)cc2)cc1 to have a lower MR value.,CCCOc1ccc(C(Cl)OC(c2ccc(Cl)cc2)c2ccc(OCCC)cc2)cc1
QED,Please modify the molecule COCCOCCCNC(=O)OC(c1ccccc1)C1NC(=O)c2nc(sc2C)C(CC(N)=O)NC(=O)c2csc(n2)-c2ccc(-c3nc(C(N)=O)cs3)nc2-c2csc(n2)-c2csc(n2)C2C(C)C(O)CN2C(=O)C(Cc2ccc(O)cc2)NC(=O)c2csc1n2 to increase its QED value.,COCCOCCCNC(=O)OC(c1ccccc1)C1NC(=O)c2nc(sc2C)C(CC(N)=O)NC(=O)c2csc(n2)-c2ccc(-c3nc(C(N)=O)cs3)nc2-c2csc(n2)-c2csc(n2)C2C(C)C(O)CN2C(=O)C(Cc2ccc(O)cc2)NC(=O)c2nc1sc2N
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COCCCC(=O)NC1CC(c2ccccc2OC)[NH2+]N1
BondNum,"There is a molecule composed of 10 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",[NH3+]C(CO)c1ccc(OC(F)C(F)F)nc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 2 halo groups.",O=C([O-])C[NH2+]CC1CCC[NH+](Cc2ccc(Cl)cc2Cl)C1
AddComponent,Modify the molecule Cc1ncn(CC(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)c(=O)c1C by adding a hydroxyl.,Cc1nc(O)n(CC(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)c(=O)c1C
SubComponent,Please substitute a halo in the molecule Cc1cc(C(=O)Nc2cc(F)ccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(C(N)=O)ccc2C)CC1 with a thiol.,Cc1cc(C(=O)Nc2cc(S)ccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(C(N)=O)ccc2C)CC1
DelComponent,Remove a Cc1nn(C)cc1CNc1nc2c(s1)CCC2C(=O)[O-] from the molecule amine.,Cc1nn(C)cc1Cc1nc2c(s1)CCC2C(=O)[O-]
LogP,Optimize the molecule Cc1cccc(C)c1NC(C)C(=O)O[Sn](C)(C)C to have a higher LogP value.,Cc1ccc(-c2ccccc2)c(C)c1NC(C)C(=O)O[Sn](C)(C)C
MR,Optimize the molecule CN(C)c1nc(COc2ccc(CO)nc2)ns1 to have a lower MR value.,Cc1ccc(OCc2nsc(N(C)C)n2)cn1
QED,Please modify the molecule CC1=C2OC=C(CCO)c3ccc(C)c(c32)C(=O)C1=O to decrease its QED value.,CC1=C2OC=C(CCNO)c3ccc(C)c(c32)C(=O)C1=O
AtomNum,"Please generate a molecule consisting 8 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COC(CNC(=O)Nc1nc(C)ns1)C(=O)[O-]
BondNum,"Please generate a molecule composed of 14 single bonds, 1 double bond, 10 rotatable bonds, and 24 aromatic bonds.",CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc(Cl)c1OCc1ccccc1
FunctionalGroup,There is a molecule consisting of and 1 amine group.,COC1(c2noc(-c3ccncc3N)n2)CCCCCC1
AddComponent,Add a hydroxyl to the molecule CON=C1CCn2c1c(C)c1ccccc12.,CON=C1CCn2c1c(C)c1ccc(O)cc12
SubComponent,Please substitute a halo in the molecule CCC[NH2+]C(C)c1ccc(Br)cc1OC(C)CC with a nitro.,CCC[NH2+]C(C)c1ccc(NO)cc1OC(C)CC
DelComponent,Modify the molecule halo by removing a Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1CC1c1cccc(F)c1F.,Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1CC1c1cccc(F)c1
LogP,Modify the molecule NC(=[NH2+])NCCCC(NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CCC(=O)[O-])NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CC(=O)[O-])NC(=O)C(CCCC[NH3+])NC(=O)C1CCCN1C(=O)C(CCCC[NH3+])NC(=O)C(CO)NC(=O)C(CCCC[NH3+])NC(=O)C(CO)NC(=O)C(CO)NC(=O)C[NH3+])C(=O)NC(Cc1ccc(O)cc1)C(N)=O to have a lower LogP value.,NC(=[NH2+])NCCCC(NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CCC(=O)[O-])NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CC(=O)[O-])NC(=O)C(CCCC[NH3+])NC(=O)C1CCCN1C(=O)C(CCCC[NH3+])NC(=O)C(CO)NC(=O)C(CCCC[NH3+])NC(=O)C(CO)NC(=O)C(CO)NC(=O)C[NH3+])C(=O)NC(CO)C(N)=O
MR,Optimize the molecule COc1ccccc1N1C(=O)CC([NH+](CCCl)CCCl)C1=O to have a lower MR value.,COc1ccccc1N1C(=O)CC([NH+](CCCl)CCC#N)C1=O
QED,Modify the molecule COc1nc(C(F)F)c(O)cc1CC(=O)[O-] to increase its QED value.,COc1nc(C(F)F)c(O)cc1C(C(=O)[O-])c1ccccc1
AtomNum,"The molecule has 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CCc1cc2c(=O)n(C(C)C(=O)c3ccc4c(c3)N(C)C(=O)C(C)O4)c(SC)nc2s1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",O=C(NCC[NH+]1CCOCC1)c1nnc(Cc2ccccc2)o1
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 1 amide group, 1 halo group, and 1 sulfone group.",COc1cc(CNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC
AddComponent,Please add a hydroxyl to the molecule [NH3+]CCCCC(NC(=O)CNC(=O)CNC(=O)C([NH3+])CO)C(=O)[O-].,[NH3+]C(O)CCCC(NC(=O)CNC(=O)CNC(=O)C([NH3+])CO)C(=O)[O-]
SubComponent,Substitute a halo in the molecule COC(=O)C(C)CN(Cc1ccccc1)C(=O)c1ccc(F)c(F)c1F with a hydroxyl.,COC(=O)C(C)CN(Cc1ccccc1)C(=O)c1ccc(O)c(F)c1F
DelComponent,Please remove a halo from the molecule CCC1CCCN(c2ccc(CBr)cc2F)CC1.,CCC1CCCN(c2ccc(CBr)cc2)CC1
LogP,Please optimize the molecule CCC1(CC)CN(C(C)(C)C)C(=O)C(C)(C)N1O to have a higher LogP value.,CCC1(CCc2ccccc2)CN(C(C)(C)C)C(=O)C(C)(C)N1O
MR,Modify the molecule O=C([O-])CCCC=CCN1C(=O)CCCC1C=CC(O)Cc1ccc([N+](=O)[O-])cc1 to decrease its MR value.,O=C([O-])CCCC=CCN1C(=O)CCCC1C=CCCc1ccc([N+](=O)[O-])cc1
QED,Please modify the molecule c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3ccccc3-c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1 to increase its QED value.,c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1
AtomNum,"The molecule contains 15 carbon atoms, and 3 nitrogen atoms.",CCn1nc(C)cc1C[NH2+]Cc1ccccc1C
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",Nc1ccc(C(=O)N2CCCC2CO)cc1O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 3 amine groups, and 1 halo group.",CCc1nc(NN)c(C)c(Nc2ccc(Cl)c(OC)c2)n1
AddComponent,Modify the molecule CCC([NH2+]C1CC2CCC1O2)c1cccc([N+](=O)[O-])c1 by adding a aldehyde.,CCC([NH2+]C1CC2CCC1O2)c1ccc(CC=O)c([N+](=O)[O-])c1
SubComponent,Modify the molecule hydroxyl by substituting a CCN(CCO)S(=O)(=O)c1ccc(-c2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1 with a halo.,CCN(CCCl)S(=O)(=O)c1ccc(-c2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1
DelComponent,Modify the molecule amine by removing a CCCCCCCCCC[NH+]1CCCCC1C(N)=S.,CCCCCCCCCC[NH+]1CCCCC1C=S
LogP,Modify the molecule CC(C)CC(NC(=O)C([NH3+])CS)C(=O)NC(C)C(=O)NC(C)C(=O)[O-] to decrease its LogP value.,CC(C)CC(NC(=O)C([NH3+])CC(=O)[OH])C(=O)NC(C)C(=O)NC(C)C(=O)[O-]
MR,Optimize the molecule CC(O)C(F)CC1CCCOC1 to have a lower MR value.,CC(O)CCC1CCCOC1
QED,Modify the molecule CC1CCCCC1NC(=O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 to decrease its QED value.,CC1CCCCC1NC(=O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2O)CC1
AtomNum,"There is a molecule composed of 25 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 chlorine atoms.",Cc1ccccc1OCc1c(C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)noc1C
BondNum,"The molecule contains 14 single bonds, 3 double bonds, 10 rotatable bonds, and 21 aromatic bonds.",COc1c(C(=O)NCCC[NH2+]C(C)C)sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
FunctionalGroup,"There is a molecule with 1 amide group, and 1 amine group.",CCCNC(=O)CCNc1cc(C(=O)[O-])cc(CC)n1
AddComponent,Modify the molecule CC1(C(=O)[O-])CCC(c2nc(Br)c3c(N)nccn23)CC1 by adding a benzene ring.,CC1(C(=O)[O-])CCC(c2nc(Br)c3c(N)ncc(-c4ccccc4)n23)CC1
SubComponent,Substitute a CCCC1CCC(COc2ccc(OCc3ccc(OCC)c(F)c3F)c(F)c2F)CC1(F)F in the molecule halo with a carboxyl.,CCCC1CCC(COc2ccc(OCc3ccc(OCC)c(C(=O)[OH])c3F)c(F)c2F)CC1(F)F
DelComponent,Modify the molecule O=C(CCc1ccccc1)N1CCC(O)C(O)(C[NH+]2CC(O)C2)C1 by removing a amide.,OC1C[NH+](CC2(O)CC(Cc3ccccc3)CC2O)C1
LogP,Optimize the molecule CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CSc2ccccc2C)c1 to have a higher LogP value.,CCN(CC)S(=O)(=O)c1ccc([O-])c(Sc2ccccc2C)c1
MR,Modify the molecule O=C(NC1(C(F)(F)F)CC1)c1cc(C(F)(F)F)ccc1Br to increase its MR value.,N#CC(F)(F)C1(NC(=O)c2cc(C(F)(F)F)ccc2Br)CC1
QED,Modify the molecule O=C(NC(C(=O)N1CCCCC1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccc2c(c1)OCO2 to increase its QED value.,O=C(NC(C(=O)N1CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)OCO2
AtomNum,"Please generate a molecule composed of 18 carbon atoms, and 2 nitrogen atoms.",Cc1cc(NCCc2ccccc2)nc2ccccc12
BondNum,"The molecule consists of 12 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",Cn1nc(C(=O)NCC2CC(F)C[NH2+]2)cc1-c1cccs1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 aldehyde group, 1 ester group, and 1 nitrile group.",CCc1c(C(=O)OC(C)(C)C)[nH]c(C=O)c1-c1ccccc1C#N
AddComponent,Add a amine to the molecule CC[NH2+]C(Cc1ccsc1)c1c(Cl)cnn1CC.,CC[NH2+]C(Cc1csc(N)c1)c1c(Cl)cnn1CC
SubComponent,Modify the molecule halo by substituting a COc1ccc(C=C2N=C(C=Cc3cccc(Cl)c3Cl)OC2=O)cc1OC with a aldehyde.,CC(=O)c1cccc(C=CC2=NC(=Cc3ccc(OC)c(OC)c3)C(=O)O2)c1Cl
DelComponent,Remove a CC1CCCC1C[NH2+]Cc1ccc(O)cc1O from the molecule benzene ring.,CC1CCCC1C[NH2+]COO
LogP,Modify the molecule Cc1cc2ncc3c(n2n1)C(=Cc1ccccc1)CCC3 to have a lower LogP value.,C=C1CCCc2cnc3cc(C)nn3c21
MR,Modify the molecule CCCC1(CCC)NC(=O)N(Cc2noc(-c3ccccc3Cl)n2)C1=O to have a higher MR value.,CCCC1(C(C#N)CC)NC(=O)N(Cc2noc(-c3ccccc3Cl)n2)C1=O
QED,Modify the molecule CC(Nc1ccc(F)cc1F)c1ccc(S(N)(=O)=O)cc1 to have a lower QED value.,CC(Nc1ccc(C(=O)[OH])cc1F)c1ccc(S(N)(=O)=O)cc1
AtomNum,"The molecule consists of 15 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC[NH2+]C(Cc1ccc(O)cc1)C(=O)C(C)(C)C
BondNum,"There is a molecule composed of 19 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)[Si](C)(C)OC1CC(c2ccccc2)OC2=C1CCCC2
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 sulfone group.",CCCCCCCCc1ccc(CS(=O)(=O)[O-])cc1
AddComponent,Modify the molecule C[NH2+]CC1CC[NH+](CCOC(F)(F)F)CC1 by adding a hydroxyl.,OC[NH2+]CC1CC[NH+](CCOC(F)(F)F)CC1
SubComponent,Please substitute a nitrile in the molecule CN(c1cc(Cl)ccc1C#N)C1CCC(=O)CC1 with a hydroxyl.,CN(c1cc(Cl)ccc1O)C1CCC(=O)CC1
DelComponent,Modify the molecule amide by removing a CC(C)(C)OC(=O)Nc1nc(CCN(C(=O)OC(C)(C)C)c2ccc(NC(=O)C3=C(c4ccc(C(F)(F)F)cc4)CCCC3)cn2)cs1.,CC(C)(C)OC(=O)Nc1nc(CCN(C(=O)OC(C)(C)C)c2ccc(C3CCCC3c3ccc(C(F)(F)F)cc3)cn2)cs1
LogP,Modify the molecule COc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 to increase its LogP value.,COc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2Br)CC1
MR,Please modify the molecule O=C(Nc1cc(-n2cccn2)ncn1)c1ccccc1Cl to increase its MR value.,CC(=O)c1ccccc1C(=O)Nc1cc(-n2cccn2)ncn1
QED,Optimize the molecule O=C([O-])CN(C(=O)c1ccc(F)c(F)c1F)C1CCCC1 to have a lower QED value.,CC(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CCCC2)c(F)c1F
AtomNum,"The molecule is composed of 15 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1cn(-c2ccc(CCCC(=O)[O-])cc2)c(C)[nH+]1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccccc1CC(C)N(C)C(=O)CS
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 halo group.",O=C(c1cc(Br)c[nH]1)N(CC1CCOC1)C1CC1
AddComponent,Add a benzene ring to the molecule COC(=O)C1=C(CC(=O)N2CC[NH+](C3CC4CN(C=O)CC4C3)CC2)N=C(CCc2nccs2)C(C(=O)OC)C1c1c(Cl)cccc1Cl.,COC(=O)C1=C(CC(=O)N2CC[NH+](C3CC4CN(C=O)CC4C3c3ccccc3)CC2)N=C(CCc2nccs2)C(C(=O)OC)C1c1c(Cl)cccc1Cl
SubComponent,Modify the molecule O=C(c1coc(Br)c1)N1CCSC2COCCC21 by substituting a halo with a nitro.,ONc1cc(C(=O)N2CCSC3COCCC32)co1
DelComponent,Please remove a amide from the molecule C[NH+]1CCc2nc(NC(=O)COc3ccc(Cl)c4cccnc34)sc2C1.,C[NH+]1CCc2nc(Oc3ccc(Cl)c4cccnc34)sc2C1
LogP,Modify the molecule CCOc1cc(C)nc(N2CCCC(CCC(=O)[O-])C2)n1 to have a lower LogP value.,CCOc1cc(C)nc(N2CCCC(O)(CCC(=O)[O-])C2)n1
MR,Please modify the molecule COc1ccc(COc2ccc(F)c(-c3nc(N4CCOCC4)c4sc(C[NH+]5CCN(C)CC5)cc4n3)c2)cc1 to increase its MR value.,COc1ccc(COc2ccc(C(=O)[OH])c(-c3nc(N4CCOCC4)c4sc(C[NH+]5CCN(C)CC5)cc4n3)c2)cc1
QED,Please optimize the molecule CCC(C)=CCCCC(C)C(=O)[O-] to have a higher QED value.,CCC(C)=CC(O)CCC(C)C(=O)[O-]
AtomNum,"There is a molecule consisting of 36 carbon atoms, 2 oxygen atoms, and 8 nitrogen atoms.",COCCN(C(=O)C1CC[NH2+]CC1)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1
BondNum,"Please generate a molecule composed of 9 single bonds, 1 double bond, 8 rotatable bonds, and 12 aromatic bonds.",CCC(=O)c1ccc(NCCCOc2ccccc2)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, and 1 sulfide group.",NC(=S)c1ccccc1N1CCc2sccc2C1
AddComponent,Add a thiol to the molecule OC(C[NH2+]C(c1ccc(F)cc1)C1CC1)c1ccsc1.,OC(C[NH2+]C(c1ccc(F)c(S)c1)C1CC1)c1ccsc1
SubComponent,Substitute a O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 in the molecule halo with a nitro.,ONc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])CC2)c(Cl)c1
DelComponent,Please remove a amine from the molecule CCCn1cc(S(=O)(=O)NCc2cncs2)c(N)n1.,CCCn1cc(S(=O)(=O)NCc2cncs2)cn1
LogP,Please optimize the molecule CC1(C)C(C[NH3+])CC[NH+]1Cc1cccnc1 to have a lower LogP value.,CC1(CC(=O)O)C(C[NH3+])CC[NH+]1Cc1cccnc1
MR,Please modify the molecule COc1cc(C=O)ccc1OCC(=O)OCC(=O)NCc1ccccc1 to decrease its MR value.,COc1cc(C=O)ccc1OCC(=O)OCc1ccccc1
QED,Modify the molecule Cn1c(=O)n(CCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=O)c2[nH]cnc21 to have a lower QED value.,Cn1c(=O)n(CCC(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)c(=O)c2[nH]cnc21
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",NC(NC1CCCCCC1)=[NH+]Cc1ncccc1O
BondNum,"There is a molecule consisting of 20 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",Cc1cnccc1OC1CCN(C(=O)CNC(=O)CC2CCCC2)CC1
FunctionalGroup,The molecule consists of and 1 amide group.,O=C(Nc1cccc2c1OCO2)C1CCC[NH2+]1
AddComponent,Modify the molecule CS(=O)(=O)ON=C(Cl)c1ccccc1Cl by adding a aldehyde.,CS(=O)(=O)ON=C(Cl)c1cc(CC=O)ccc1Cl
SubComponent,Modify the molecule halo by substituting a Cn1ncc(N)c1NC(=O)c1ccccc1I with a carboxyl.,Cn1ncc(N)c1NC(=O)c1ccccc1C(=O)[OH]
DelComponent,Remove a CCc1ccsc1-c1sc(C(=O)[O-])c(N)c1CC from the molecule amine.,CCc1ccsc1-c1sc(C(=O)[O-])cc1CC
LogP,Please optimize the molecule CCc1cc(C(=O)[O-])cc(NCc2cccc(CO)c2)n1 to have a higher LogP value.,CCc1cc(C(=O)[O-])cc(NCc2cccc(C)c2)n1
MR,Please optimize the molecule COC(=O)c1ccc(C(=O)OCC(=O)NC(C)(C#N)C2CC2)cc1 to have a higher MR value.,COC(=O)c1ccc(C(=O)OCC(=O)NC(C)(C#N)C2CC2)cc1O
QED,Please modify the molecule O=c1cc(-c2c[nH]c3ncc(C4=CCOCC4)cc23)ccn1Cc1ccc(Cl)c(Cl)c1 to decrease its QED value.,O=c1cc(-c2c[nH]c3ncc(C4=CCOCC4)cc23)ccn1Cc1ccc(S)c(Cl)c1
AtomNum,"There is a molecule composed of 14 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",O=C(Cc1ccc2nc[nH]c2c1)N1CCC[NH2+]CC1
BondNum,"The molecule consists of 5 single bonds, 1 double bond, 2 rotatable bonds, and 17 aromatic bonds.",O=C([O-])c1cc(-c2cc(F)cc(Cl)c2)nc2ccccc12
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 ketone groups, and 1 amine group.",NC1([NH3+])C=CC([NH2+]Cc2ccccc2)(C2CCCCC2)C2=C1C(=O)c1ccccc1C2=O
AddComponent,Please add a benzene ring to the molecule CC(C)OC1=C([O-])C(C(O)CO)OC1=O.,CC(C)OC1=C([O-])C(C(O)(CO)c2ccccc2)OC1=O
SubComponent,Modify the molecule halo by substituting a C[NH+](C)C1CCN(c2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)c(F)c2)C1 with a aldehyde.,CC(=O)c1ccc(-c2cc3ncn(-c4ccc(N5CCC([NH+](C)C)C5)cc4F)c(=O)c3s2)cc1
DelComponent,Please remove a NC(=O)N[Si](O)NC(N)=O from the molecule hydroxyl.,NC(=O)N[Si]NC(N)=O
LogP,Please optimize the molecule Clc1ccc(Cl)c(CSc2ncn[nH]2)c1 to have a lower LogP value.,CC(=O)c1ccc(Cl)c(CSc2ncn[nH]2)c1
MR,Please modify the molecule CCCCCCNC(=O)c1ccc(OCC(O)C[NH2+]C(C)(C)C)c(Cl)c1 to increase its MR value.,CCCCCCNC(=O)c1ccc(OCC(O)C(O)[NH2+]C(C)(C)C)c(Cl)c1
QED,Modify the molecule CCCCOc1cccc(C2C(c3ccc(OCCC)c(OC)c3)=C(O)C(=O)N2c2ccc3ccccc3c2)c1 to decrease its QED value.,CCCCOc1cccc(C2C(c3ccc(OCCC)c(OC)c3)=C(I)C(=O)N2c2ccc3ccccc3c2)c1
AtomNum,"Please generate a molecule with 10 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 bromine atom.",O=NC1CCCc2c(Br)cccc21
BondNum,"The molecule has 8 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",CC[NH2+]C(c1cc(Cl)ccc1I)c1sccc1Br
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 halo groups, and 1 sulfide group.",[NH3+]C(c1ccccc1Cl)c1csc2c(Br)cccc12
AddComponent,Modify the molecule CC1NC(=O)C(Cc2ccccc2)NC(=O)C(C)NC(=O)C2(CC[NH+](Cc3ccccn3)CC2)Oc2ccc(cc2)OCCNC1=O by adding a hydroxyl.,CC1NC(=O)C2(CC[NH+](Cc3ccccn3)CC2)Oc2ccc(cc2)OCCNC(=O)C(CO)NC(=O)C(Cc2ccccc2)NC1=O
SubComponent,Please substitute a halo in the molecule Nc1cnc(Cl)c(C(=O)Nc2cc(Cl)ncn2)c1 with a hydroxyl.,Nc1cnc(O)c(C(=O)Nc2cc(Cl)ncn2)c1
DelComponent,Modify the molecule halo by removing a CCCCN1CC[NH+]=C1CN(Cc1ccccc1)c1ccc(C(F)(F)F)cc1.,CCCCN1CC[NH+]=C1CN(Cc1ccccc1)c1ccc(C(F)F)cc1
LogP,Modify the molecule CC(=NNC(=O)CN1C(=O)COc2ccc(Cl)cc21)c1ccc(Br)cc1 to decrease its LogP value.,CC(=O)c1ccc2c(c1)N(CC(=O)NN=C(C)c1ccc(Br)cc1)C(=O)CO2
MR,Modify the molecule Cc1cc(C)c(CC(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)c(C)c1 to increase its MR value.,Cc1cc(C)c(CC(=O)N2CCN(c3nc4ccc(C#N)cc4s3)CC2)c(C)c1
QED,Optimize the molecule CCOc1ccc(Oc2ccccc2NC(=O)c2cccnc2)cc1 to have a lower QED value.,CCOOc1ccccc1NC(=O)c1cccnc1
AtomNum,"The molecule is composed of 10 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",Cc1[nH]c2c(C)cccc2c1S(=O)(=O)Cl
BondNum,"There is a molecule consisting of 11 single bonds, 1 double bond, 1 rotatable bond, and 5 aromatic bonds.",O=C(Nc1ccsc1Cl)N1CCCSCC1
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 1 amide group, and 2 halo groups.",Cc1c[n+](O)c(Cn2ccc3c(Cl)nc(NC(=O)C(C)(C)C)nc32)c(C)c1Cl
AddComponent,Please add a carboxyl to the molecule CNC(=O)Oc1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)c[nH]3)cc2)ccn1.,CNC(=O)Oc1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)c[nH]3)cc2C(=O)O)ccn1
SubComponent,Modify the molecule halo by substituting a COCCOc1cc(Br)cc(COC)c1 with a hydroxyl.,COCCOc1cc(O)cc(COC)c1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(C2CC(=O)N3N=C(C)c4ccc(OC)c5ccc2c3c45)cc1.,COc1ccc2c3c4c(ccc13)C(OC)CC(=O)N4N=C2C
LogP,Optimize the molecule O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(F)cc1Cl to have a lower LogP value.,O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NCc1ccccc1Cl
MR,Please optimize the molecule CCOc1cccc(C[NH+]2C3CCNC(=O)C3C(c3cccc(Cl)c3F)C2C(=O)Nc2cccc(Cl)c2)c1 to have a lower MR value.,CCOc1cccc(C[NH+]2C3CCNC(=O)C3C(c3cccc(Cl)c3F)C2C(=O)NCl)c1
QED,Optimize the molecule NC(=O)CC(O)C(=O)NCc1ccc(F)cc1 to have a lower QED value.,NC(=O)CC(O)C(=O)NCF
AtomNum,"There is a molecule consisting of 25 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",Cc1ccc(SCCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1
BondNum,"There is a molecule consisting of 14 single bonds, 4 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",O=C([O-])C1=CCC(c2cccc(Cl)c2)N(S(=O)(=O)c2ccc(Cl)cc2)C1c1cccc(Cl)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 hydroxyl group.",CCC(C)(O)C(Oc1ccccc1)n1cncn1
AddComponent,Modify the molecule COC(=O)C1CC([NH2+]Cc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c23)CN1 by adding a benzene ring.,COC(=O)C1CC([NH2+]Cc2[nH]nc3cc(-c4ccccc4)cc(OCc4ccc(C(C)(C)C)cc4)c23)CN1
SubComponent,Modify the molecule Fc1ccc(Cl)cc1-c1cc(Nc2ccncn2)c2ccccc2n1 by substituting a halo with a hydroxyl.,Oc1ccc(Cl)cc1-c1cc(Nc2ccncn2)c2ccccc2n1
DelComponent,Modify the molecule halo by removing a CSCCC(NC(=O)CSc1ccc(F)c(F)c1)C(=O)[O-].,CSCCC(NC(=O)CSc1ccc(F)cc1)C(=O)[O-]
LogP,Please modify the molecule C[Si](C)(C)c1ccc2ccoc2c1Oc1cccc(Br)c1 to decrease its LogP value.,CC(=O)c1cccc(Oc2c([Si](C)(C)C)ccc3ccoc23)c1
MR,Optimize the molecule C[NH2+]Cc1cc(F)ccc1OCCC[NH+](C)C to have a higher MR value.,C[NH2+]Cc1cc(S)ccc1OCCC[NH+](C)C
QED,Modify the molecule CN(CC1CCC[NH+]1C)C(=O)N1CCCC1C(=O)[O-] to have a higher QED value.,CN(CC1(c2ccccc2)CCC[NH+]1C)C(=O)N1CCCC1C(=O)[O-]
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",CC(C)NC(=O)C(C)Oc1ccccc1Cl
BondNum,"There is a molecule consisting of 28 single bonds, 9 double bonds, and 1 rotatable bond.",CC1=CC=CC(C)C(OC(N)=O)C(C)=CC(C)C(O)C(C)CCCC2=C(C)C(=O)C=C(NC1=O)C2=O
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 halo group.",CCC(=O)N1CCOC(c2cccc(Cl)c2)C1
AddComponent,Modify the molecule Cc1ccccc1NC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(C(=O)N4CCC(C)CC4)c3C)CC2)ccc1Cl by adding a aldehyde.,Cc1ccccc1NC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(C(=O)N4CCC(C)CC4)c3C)C(CC=O)C2)ccc1Cl
SubComponent,Substitute a C=CCCOCCNc1nnc(C(F)(F)F)s1 in the molecule halo with a nitro.,C=CCCOCCNc1nnc(C(F)(F)NO)s1
DelComponent,Modify the molecule amide by removing a CCCN1C(=O)C2CCC1CN(C(=O)c1c(F)ccc(OC)c1F)C2.,CCCN1C(=O)C2CCC1C(c1(F)c(OC)ccc-1F)C2
LogP,Modify the molecule CSc1ccc(OCCCN=[N+]=[N-])cc1 to decrease its LogP value.,CSOCCCN=[N+]=[N-]
MR,Please optimize the molecule CCC(C)S(=O)c1c(C(Cl)(Cl)Cl)ccc(C(=O)[O-])c1C to have a lower MR value.,CCC(C)[SH](=O)(CC(Cl)(Cl)Cl)C(=O)[O-]
QED,Please optimize the molecule O=C(c1ccc(=O)[nH]c1)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1 to have a higher QED value.,O=C(c1ccc(=O)[nH]c1)N1CCCC(CCC(F)(F)F)C1
AtomNum,"There is a molecule composed of 18 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCCCC1CCC(C(=O)N2CCCC(C(C)[NH3+])C2)CC1
BondNum,"The molecule contains 16 single bonds, 2 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",CCOC(=O)N1CCN(C(NCc2ccnn2C)=[NH+]C)CC1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 thioether groups, and 1 sulfide group.",CSCC(C)[NH2+]CC(C(=O)[O-])c1ccccc1
AddComponent,Add a thiol to the molecule Cc1nnn(-c2nonc2N)c1C(=O)NN=C1CCC(c2ccccc2)CC1.,Cc1nnn(-c2nonc2N)c1C(=O)NN=C1CCC(c2cccc(S)c2)CC1
SubComponent,Substitute a halo in the molecule CC=CC(F)=CC(=Cc1cc(=O)n(Cc2cccc(C(=O)[O-])c2)c(C)n1)NC(=O)C(C)(C)C with a hydroxyl.,CC=CC(O)=CC(=Cc1cc(=O)n(Cc2cccc(C(=O)[O-])c2)c(C)n1)NC(=O)C(C)(C)C
DelComponent,Modify the molecule amine by removing a C#CC(C)NS(=O)(=O)c1c(C)cc(C)c(N)c1C.,C#CC(C)NS(=O)(=O)c1c(C)cc(C)cc1C
LogP,Modify the molecule Cc1nn(C)c(C)c1-c1cc(C(=O)NC(C)c2cccc(Cl)c2)[nH]n1 to decrease its LogP value.,Cc1nn(C)c(C)c1-c1cc(C(=O)NC(C)c2cccc(C(=O)[OH])c2)[nH]n1
MR,Optimize the molecule Oc1c(-c2cccc(I)c2)cc(Cl)c2cccnc12 to have a lower MR value.,Clc1cc(-c2cccc(I)c2)cc2ncccc12
QED,Please modify the molecule CCCCC(=O)NCCCN(C(=O)c1ccccc1)c1ccc(F)cc1 to decrease its QED value.,CCCCC(=O)NCCCN(C(=O)c1ccccc1)c1ccc(S)cc1
AtomNum,"There is a molecule with 59 carbon atoms, and 3 oxygen atoms.",COC1=C(C)C(=O)C(C)=C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1=O
BondNum,"The molecule consists of 11 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)c1coc(N2CCc3cccc(N)c3C2)n1
FunctionalGroup,The molecule contains and 1 amide group.,CCCC[NH+](C)CC(=O)N1CCC[NH2+]CC1
AddComponent,Modify the molecule CCNC(NC1CCCC1)=[NH+]Cc1cccc(C[NH+](CC)CC)c1 by adding a hydroxyl.,CCNC(NC1CCC(O)C1)=[NH+]Cc1cccc(C[NH+](CC)CC)c1
SubComponent,Substitute a halo in the molecule C=CCC1C(CCC(CCCCC(F)(F)F)O[Si](C)(C)C(C)(C)C)=CCC1O with a nitro.,C=CCC1C(CCC(CCCCC(F)(F)NO)O[Si](C)(C)C(C)(C)C)=CCC1O
DelComponent,Remove a benzene ring from the molecule CCCC(=O)CCCc1cccc(Br)c1.,CCCC(=O)CCCBr
LogP,Please optimize the molecule CCCC(C[NH3+])C(=O)c1ccccc1OC(F)(F)F to have a lower LogP value.,CCCC(C[NH3+])C(=O)OC(F)(F)F
MR,Please optimize the molecule Cc1ccc(C)c(C(C[NH+]2CCCC2)C(=O)[O-])c1 to have a lower MR value.,CCC(C[NH+]1CCCC1)C(=O)[O-]
QED,Please optimize the molecule CC(C)=CC(O)c1cccc(C#N)c1 to have a higher QED value.,CC(C)=C(S)C(O)c1cccc(C#N)c1
AtomNum,"The molecule contains 19 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",O=C1CC(CNC(=O)N2CC(c3ccccc3)C3(CCC3)C2)CN1
BondNum,"Please generate a molecule composed of 9 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ncnc(NCCc2cc(F)cc(F)c2)c1C
FunctionalGroup,"The molecule contains 1 ester group, 1 halo group, 2 thioether groups, and 1 sulfide group.",CCSCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=S)CC1F
AddComponent,Add a hydroxyl to the molecule COc1ccc(COc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1.,Cn1c(=O)c2c(nc(OCc3ccc(OCO)cc3)n2C)n(C)c1=O
SubComponent,Please substitute a halo in the molecule CC(C)(O)C1CCCN1C(=O)c1cc(-c2ccccc2Cl)n[nH]1 with a hydroxyl.,CC(C)(O)C1CCCN1C(=O)c1cc(-c2ccccc2O)n[nH]1
DelComponent,Modify the molecule benzene ring by removing a CCOc1cc(C([O-])=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccccc2OC)ccc1Cl.,CCOc1cc(C([O-])=C2C(=O)C(=O)N(Cc3cccnc3)C2OC)ccc1Cl
LogP,Optimize the molecule CCCCCCCCCCCCCCCCCC=CCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCC(C)CC to have a higher LogP value.,CCCCCCCCCCCCCCCCCC=CCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCC(C)CC
MR,Modify the molecule CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CF)O4)cc12 to have a lower MR value.,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(C)O4)cc12
QED,Please modify the molecule CCCOc1cccc(C([O-])=C2C(=O)C(=O)N(c3cccc(F)c3)C2c2cccc(OC)c2)c1 to decrease its QED value.,CCCOc1cccc(C([O-])=C2C(=O)C(=O)N(c3cccc(NO)c3)C2c2cccc(OC)c2)c1
AtomNum,"Please generate a molecule with 6 carbon atoms, 1 oxygen atom, 6 chlorine atoms, and 2 silicon atoms.",Cl[Si](Cl)(Cl)C1C2C=CC(O2)C1[Si](Cl)(Cl)Cl
BondNum,"Please generate a molecule composed of 6 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",Clc1c[nH+]ccc1NCCCc1[nH]cc[nH+]1
FunctionalGroup,The molecule contains and 4 halo groups.,FC(F)(F)c1nc2n(c1CCl)CCCC2
AddComponent,Add a aldehyde to the molecule N#Cc1ccc(C(=O)N(Cc2cc(NC(=O)c3ccccc3Br)ccc2Cl)C2CCC([NH3+])CC2)cc1.,N#Cc1ccc(C(=O)N(Cc2cc(NC(=O)c3ccccc3Br)ccc2Cl)C2CCC([NH3+])C(CC=O)C2)cc1
SubComponent,Substitute a hydroxyl in the molecule NC(=[NH+]O)c1cccc(COCCCc2ccncc2)c1 with a aldehyde.,CC(=O)[NH+]=C(N)c1cccc(COCCCc2ccncc2)c1
DelComponent,Remove a amide from the molecule CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)[O-])NC(=O)C([NH3+])Cc1ccccc1)C(=O)[O-].,CSCCC(NC(=O)C(Cc1ccccc1)N(CC(=O)[O-])C(=O)C([NH3+])Cc1ccccc1)C(=O)[O-]
LogP,Please modify the molecule CC#CCNC(=O)NC(=O)COCC(=O)[O-] to increase its LogP value.,CC#CCNC(=O)OCC(=O)[O-]
MR,Modify the molecule OC1CCCc2cc(OCc3cnoc3)ccc21 to have a lower MR value.,FC1CCCc2cc(OCc3cnoc3)ccc21
QED,Modify the molecule C[NH+]1C=C(c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(C4=C[NH+](C)CC=C4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)C=CC1 to decrease its QED value.,C[NH+]1C=C(c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(C4=C[NH+](C)CC(c5ccccc5)=C4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)C=CC1
AtomNum,"The molecule consists of 11 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCCCCCS(=O)(=O)c1ccccn1
BondNum,"There is a molecule with 3 single bonds, 2 double bonds, 2 rotatable bonds, and 15 aromatic bonds.",O=Cc1c(C(=O)[O-])[nH]c2ccc3ccccc3c12
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, 2 halo groups, and 1 sulfone group.",CS(=O)(=O)C1CCCC1(O)c1cc(Br)ccc1F
AddComponent,Please add a benzene ring to the molecule O=C(C1C2CCCCC21)N(CCBr)C1CCCC1.,O=C(C1C2CCCCC21c1ccccc1)N(CCBr)C1CCCC1
SubComponent,Modify the molecule halo by substituting a Cc1cc(C)c(CNC(=O)c2ccc(C(C)Oc3cccc(F)c3)cc2)c(=O)[nH]1 with a nitro.,Cc1cc(C)c(CNC(=O)c2ccc(C(C)Oc3cccc(NO)c3)cc2)c(=O)[nH]1
DelComponent,Modify the molecule halo by removing a CCN(C(=O)c1cc(C)c(F)cc1F)C(C)(C)C(=O)[O-].,CCN(C(=O)c1ccc(F)c(C)c1)C(C)(C)C(=O)[O-]
LogP,Please optimize the molecule CC(O)C(C)[NH+]1CC2(CCO2)C1 to have a lower LogP value.,CC([NH+]1CC2(CCO2)C1)C(C)(O)O
MR,Please modify the molecule BrC1c2ccccc2C2Cc3cccc1c32 to decrease its MR value.,O=C([OH])C1c2ccccc2C2Cc3cccc1c32
QED,Modify the molecule N#Cc1ccc(CNc2cccc(Cl)c2-n2ccnc2)s1 to increase its QED value.,N#Cc1ccc(CNc2ccccc2-n2ccnc2)s1
AtomNum,"There is a molecule consisting of 10 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 fluorine atom, and 1 chlorine atom.",N#CC1(c2c(O)c(Cl)cc(O)c2F)CC1
BondNum,"The molecule has 13 single bonds, 2 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",COc1ccc(N2C(=O)C(O)=C(c3cccc(C)c3)C2c2ccc(Br)cc2)cc1Cl
FunctionalGroup,There is a molecule with and 2 benzene ring groups.,CCCCN(CCCC)c1ccc(C#Cc2cncc(C#Cc3ccc(N(CCCC)CCCC)cc3C#C[Si](C(C)C)(C(C)C)C(C)C)c2)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c1
AddComponent,Please add a benzene ring to the molecule CCCCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(C)cc1C.,CCCCN(C(=O)Nc1ccc(C)cc1C)C(c1ccccc1)c1ccc(Br)cc1
SubComponent,Substitute a halo in the molecule Cc1cc(Br)ccc1NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2S(C)(=O)=O)cc1 with a nitro.,Cc1cc(NO)ccc1NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2S(C)(=O)=O)cc1
DelComponent,Modify the molecule COc1cc(O)c(Br)c2cc(-c3ccc(O)cc3)oc12 by removing a benzene ring.,COc1cc(O)c(Br)c2cc(O)oc12
LogP,Please optimize the molecule O=C(CC(=O)N(Cc1ccccc1)c1ccccc1)Nc1ccc(F)cc1 to have a lower LogP value.,Nc1ccccc1N(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(F)cc1
MR,Modify the molecule CCCn1nnc(C(F)(F)C(F)(F)F)c1CC(C)(C)C to decrease its MR value.,CCCn1nnc(C(F)(F)C(F)F)c1CC(C)(C)C
QED,Modify the molecule CCC(NC(=O)NC1COCC1OC)C(=O)N1CCOCC1 to increase its QED value.,CCC1COCCN1C(=O)NC1COCC1OC
AtomNum,"The molecule has 21 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",CC(=Cc1ccccc1)n1c(=O)n(CCCCl)c2cc(C)c(C)cc21
BondNum,"The molecule consists of 13 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CCNc1cc(C)ccc1C(=O)N1CCOC(C)C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amine groups, and 1 halo group.",CC1(Nc2ccc(N)cc2F)CCOCC1
AddComponent,Please add a benzene ring to the molecule CCNc1cc[nH+]c(C(=O)N2CC(O)CC2C[NH+](C)C)c1.,CCNc1cc[nH+]c(C(=O)N2CC(O)CC2C(c2ccccc2)[NH+](C)C)c1
SubComponent,Modify the molecule halo by substituting a CCOC(=O)C1CSCCN1C(=O)c1nc(SC)ncc1Cl with a nitrile.,CCOC(=O)C1CSCCN1C(=O)c1nc(SC)ncc1C#N
DelComponent,Remove a c1ccc(N(c2ccccc2)c2ccc3c(c2)c(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)cc2cc4c(cc23)sc2ccccc24)cc1 from the molecule benzene ring.,c1ccc(Nc2ccc3c(c2)c(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)cc2cc4c(cc23)sc2ccccc24)cc1
LogP,Please modify the molecule CNC1C(N(C)c2nc(Nc3cccc(N=NCC=N)c3)c(C(N)=O)cc2F)CCCC1(F)F to increase its LogP value.,CC1C(N(C)c2nc(Nc3cccc(N=NCC=N)c3)c(C(N)=O)cc2F)CCCC1(F)F
MR,Modify the molecule O=C(Oc1ccc(I)cc1)c1cc2ccccc2s1 to have a lower MR value.,CC(=O)c1ccc(OC(=O)c2cc3ccccc3s2)cc1
QED,Optimize the molecule COc1cc(C(CC2CCCCCC2)NN)ccc1Cl to have a higher QED value.,COc1cc(C(N)CC2CCCCCC2)ccc1Cl
AtomNum,"Please generate a molecule with 15 carbon atoms, and 4 nitrogen atoms.",Cc1nn(C)c(C)c1C(CC1CC2CCC1C2)NN
BondNum,"The molecule consists of 7 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCC(=O)C(O)c1ccc(SC)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 halo group.",C[NH2+]CC#Cc1cc(F)ccc1OC
AddComponent,Add a hydroxyl to the molecule Cc1cc(OCc2cccc(C(=O)Nc3ccn(C)n3)c2)ccc1[N+](=O)[O-].,Cc1c([N+](=O)[O-])ccc(OCc2cccc(C(=O)Nc3ccn(C)n3)c2)c1O
SubComponent,Substitute a Cc1ccccc1CN(C)C(=O)Cn1nnc(-c2ccccc2Cl)n1 in the molecule halo with a aldehyde.,CC(=O)c1ccccc1-c1nnn(CC(=O)N(C)Cc2ccccc2C)n1
DelComponent,Please remove a CC=CC=CC(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 from the molecule amine.,CC=CC=CC(=O)Nc1cccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c1
LogP,Modify the molecule COc1ccc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2N)cc1 to have a lower LogP value.,COc1ccc(-c2nnc(SCC(=O)N3CCN(S(C)(=O)=O)CC3)n2N)cc1
MR,Optimize the molecule CCC([NH3+])C(c1cccc(Cl)c1)N(CCC#N)C1CC1 to have a lower MR value.,CCC([NH3+])C(c1ccccc1)N(CCC#N)C1CC1
QED,Optimize the molecule CCCCOCCC(C[NH2+]C)c1cccc(F)c1 to have a higher QED value.,CCCCOCCC(C[NH2+]C)c1cccc(C#N)c1
AtomNum,"The molecule has 16 carbon atoms, 5 oxygen atoms, 1 sulfur atom, and 2 chlorine atoms.",CC(C(=O)[O-])c1ccc(Cl)c(Oc2ccc(S(C)(=O)=O)cc2Cl)c1
BondNum,"The molecule has 8 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 17 aromatic bonds.",O=C(NCC#CCOc1cccc2ccccc12)Nc1ccccc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfoxide group.",CC(C)CS(=O)Cc1ccc(N)cc1Cl
AddComponent,Modify the molecule CC(=NNC(=O)CSc1n[nH]c(-c2ccccc2)[n+]1-c1ccc(Br)cc1)c1cccc(O)c1 by adding a benzene ring.,CC(=NNC(=O)CSc1n[nH]c(-c2ccccc2)[n+]1-c1ccc(Br)cc1-c1ccccc1)c1cccc(O)c1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(F)cc1NC1CCC[NH+](C)CC1 with a nitrile.,Cc1ccc(C#N)cc1NC1CCC[NH+](C)CC1
DelComponent,Please remove a amine from the molecule COc1cc(OC)cc(C2(C)CC(Nc3ccc(C(F)(F)F)cn3)C(=O)O2)c1.,COc1cc(OC)cc(C2(C)CC(c3ccc(C(F)(F)F)cn3)C(=O)O2)c1
LogP,Please optimize the molecule Cc1cc(CCCOp2oc3c(CCCCCC(C)C)cc(CCCCCC(C)C)cc3c3cc(CCCCCC(C)C)cc(CCCCCC(C)C)c3o2)cc(C(C)(C)C)c1O to have a higher LogP value.,CC(=O)c1c(C)cc(CCCOp2oc3c(CCCCCC(C)C)cc(CCCCCC(C)C)cc3c3cc(CCCCCC(C)C)cc(CCCCCC(C)C)c3o2)cc1C(C)(C)C
MR,Modify the molecule Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(C(C)C)cc2)cc1 to decrease its MR value.,Cc1ccc(-c2(Cc3ccc(C(C)C)cc3)[nH]nc-2)cc1
QED,Please modify the molecule Cc1ncc(C[NH+]2CCCC(c3nc(CC(C)C)co3)C2)cn1 to decrease its QED value.,Cc1ncc(C[NH+]2CCC(N)C(c3nc(CC(C)C)co3)C2)cn1
AtomNum,"The molecule consists of 15 carbon atoms, and 5 nitrogen atoms.",Cc1ccc2nnc(C3CCC4CCCCC4[NH2+]3)n2n1
BondNum,"The molecule has 5 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",[NH3+]C(c1ccc(I)cc1)c1cccc(Cl)c1
FunctionalGroup,The molecule is composed of and 1 amide group.,CN(C(=O)NC1CNC(=O)C1)C1(CC(=O)[O-])CCCCC1
AddComponent,Please add a amine to the molecule O=C(CCc1nc(C2CC2)no1)c1ccc(F)c(F)c1.,Nc1cc(C(=O)CCc2nc(C3CC3)no2)cc(F)c1F
SubComponent,Modify the molecule halo by substituting a CC1(CNc2ncc(Cc3ccc(F)c(F)c3)s2)CCOCC1 with a carboxyl.,CC1(CNc2ncc(Cc3ccc(C(=O)[OH])c(F)c3)s2)CCOCC1
DelComponent,Modify the molecule CCCCCN(C(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(C(=O)Nc1c(C)cccc1Cl)c1cccc(C)c1 by removing a benzene ring.,CCCCCN(C(=O)C(CO)NC(=O)OC(C)(C)C)C(C(=O)Nc1c(C)cccc1Cl)c1cccc(C)c1
LogP,Please optimize the molecule CCCCC(CC)COc1ccnc(C#N)c1 to have a lower LogP value.,CCCCC(CC)COc1ccnc(O)c1
MR,Modify the molecule CSC1CCCC(NC(=O)NC2CCN(C(=O)COc3ccccc3)C2)C1 to decrease its MR value.,CSC1CCCC(NC(=O)NC2CCN(C(=O)CO)C2)C1
QED,Optimize the molecule C[NH2+]CC1CCCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 to have a lower QED value.,C[NH2+]CC1CCCN(C(=O)c2cc(-c3ccccc3)ccc2C(=O)[OH])C1
AtomNum,"There is a molecule with 13 carbon atoms, 7 oxygen atoms, and 2 nitrogen atoms.",CC(OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1ccco1
BondNum,"Please generate a molecule consisting 26 single bonds, 4 double bonds, 12 rotatable bonds, and 18 aromatic bonds.",CCOc1ccc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)CC2)C(C)C)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 amine group, 1 halo group, 1 sulfide group, and 1 sulfone group.",CC(=O)Nc1nnc(S(=O)(=O)NCCC(O)c2ccc(F)cc2)s1
AddComponent,Please add a aldehyde to the molecule CC1CC(O)CCC1Nc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12.,CC1C(Nc2ncc(C(N)=O)c3[nH]c4ccc(F)cc4c23)CCC(O)C1CC=O
SubComponent,Modify the molecule CC(C)[NH+]1CC=C(CCS)CC1 by substituting a thiol with a aldehyde.,CC(=O)CCC1=CC[NH+](C(C)C)CC1
DelComponent,Modify the molecule halo by removing a CC(C)Sc1nnc(N2C([NH3+])=C(C#N)C(c3cn(Cc4ccc(Cl)cc4Cl)nc3-c3ccccc3)C3=C2CCCC3=O)s1.,CC(C)Sc1nnc(N2C([NH3+])=C(C#N)C(c3cn(Cc4ccccc4Cl)nc3-c3ccccc3)C3=C2CCCC3=O)s1
LogP,Please optimize the molecule C[NH2+]C(CC1CC1)c1ccc(Cc2ccccc2)cc1 to have a lower LogP value.,C[NH2+]C(CC1CC1)c1ccc(Cc2ccccc2)cc1N
MR,Please modify the molecule CC=CC(C)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 to increase its MR value.,CC(=O)c1ccc2ccccc2c1-c1c(OC(C)C=CC)ccc2ccccc12
QED,Please optimize the molecule CCCc1nsc(NCC2(C3CC3)CC2)n1 to have a lower QED value.,CC(O)Cc1nsc(NCC2(C3CC3)CC2)n1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 6 nitrogen atoms, and 3 sulfur atoms.",CSc1nnc(Sc2nnc(C)c(C)c2C(N)=[NH2+])s1
BondNum,"Please generate a molecule with 9 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CN(C(=O)COC(=O)Cc1ccc(Br)cc1)c1ccccc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 nitro group, and 1 halo group.",CCOC1CCCN(c2cccc(Cl)c2[N+](=O)[O-])C1
AddComponent,Add a hydroxyl to the molecule COc1ccc(CC(O)Cc2ccccc2C)cc1F.,COc1ccc(CC(O)Cc2cccc(O)c2C)cc1F
SubComponent,Substitute a O=C([O-])CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccc3c(c2)CC(F)(F)C(F)(F)C3)cc1 in the molecule halo with a nitro.,ONc1ccc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)c2ccc3c(c2)CC(F)(F)C(F)(F)C3)cc1C(F)(F)F
DelComponent,Please remove a benzene ring from the molecule CN1CC[NH+](CCCNC(=O)c2ccc3nc(Cl)ccc3c2)C(c2ccccc2)C1.,CN1CC[NH+](CCCNC(=O)c2ccc3nc(Cl)ccc3c2)CC1
LogP,Modify the molecule CCN(CCCNC(=O)C(C#N)=Cc1cc(C)n(CC2CCCO2)c1C)c1ccccc1 to have a lower LogP value.,CCNCCCNC(=O)C(C#N)=Cc1cc(C)n(CC2CCCO2)c1C
MR,Please modify the molecule CC(C)(C)OCCOc1ccc(N)c(OC(C)(C)C)n1 to decrease its MR value.,CC(C)(C)OCCOc1cccc(OC(C)(C)C)n1
QED,Optimize the molecule COc1ccc(CC(NN)C2(C)CCCCO2)cc1Br to have a lower QED value.,COc1ccc(CC(NN)C2(C)CCCCO2)cc1
AtomNum,"There is a molecule composed of 30 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",CCCNC(=O)c1cccc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)NC)cc3C)CC2)c1
BondNum,"There is a molecule consisting of 15 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)cc(Cl)c1OC(F)F
FunctionalGroup,The molecule contains and 1 hydroxyl group.,CCCCCCCCCCCCCCCCC(CO)[NH2+]CC
AddComponent,Add a benzene ring to the molecule CCCN1CC=CC2(C)OC34C=CCN(C5CCCCC5)C(=O)C3N(CCO)C(=O)C4C2C1=O.,CCCN1CC=CC2(C)OC34C=C(c5ccccc5)CN(C5CCCCC5)C(=O)C3N(CCO)C(=O)C4C2C1=O
SubComponent,Please substitute a halo in the molecule CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(-c2ccncc2)[nH]n1 with a nitrile.,CC(Oc1ccc(C#N)cc1Cl)C(=O)Nc1cc(-c2ccncc2)[nH]n1
DelComponent,Remove a benzene ring from the molecule CC(O)(C=Cc1ccccc1)C(=[N+]=[N-])[Si](C)(C)C.,C=CC(C)(O)C(=[N+]=[N-])[Si](C)(C)C
LogP,Please optimize the molecule Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc(COCC(=O)[O-])c1 to have a lower LogP value.,Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COCOCC(=O)[O-]
MR,Please modify the molecule CCC(c1nnnn1CCOC)[NH+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O to increase its MR value.,CCC(c1nnnn1CCOCN)[NH+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O
QED,Modify the molecule O=C1C=C(c2ccc(CCCCCCC(=O)Oc3ccc(C=CC(=O)c4ccc(F)cc4)cc3)cc2)C(=O)N1 to have a higher QED value.,O=C1C=C(c2ccc(CCCCCCC(=O)Oc3ccc(C=CC(=O)c4ccccc4)cc3)cc2)C(=O)N1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",Cc1nc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)nc(-c3ccccc3)c2s1
BondNum,"The molecule is composed of 4 single bonds, 2 double bonds, 4 rotatable bonds, and 28 aromatic bonds.",O=c1c2c(-c3ccc(Cc4ccccc4)cc3)csc2[nH]c(=S)n1-c1ccccc1
FunctionalGroup,There is a molecule with and 2 benzene ring groups.,CCCCCCCCCCCCCCCCCC(c1[nH+]ccn1CCCCCCCCCCCCCCC)C(C)(Cc1ccccc1)c1ccccc1
AddComponent,Please add a hydroxyl to the molecule CCCOCC(O)CCCc1ccccc1.,OCCCOCC(O)CCCc1ccccc1
SubComponent,Modify the molecule CC1CCCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)C1 by substituting a halo with a hydroxyl.,CC1CCCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(O)c3)c2)C1
DelComponent,Remove a benzene ring from the molecule CCCNc1nc(Nc2cc(Cl)ccc2C)c(Cl)cc1Cl.,CCCNc1nc(NCCl)c(Cl)cc1Cl
LogP,Please modify the molecule CC1(C)COC(c2cncnc2)(c2ccc(Cl)cc2Cl)OC1 to decrease its LogP value.,CC1(C)COC(c2ccc(Cl)cc2)(c2cncnc2)OC1
MR,Optimize the molecule c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)cc1 to have a lower MR value.,c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)cc1
QED,Modify the molecule CC[NH2+]C(C)c1ccc(OCCCCC#N)c(Cl)c1 to have a lower QED value.,CC[NH2+]C(C)c1ccc(OCCCCC#N)cc1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",Cc1nc(C)c(CCC(=O)[O-])c(-c2ccc(F)cc2)n1
BondNum,"There is a molecule composed of 24 single bonds, 4 double bonds, 8 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N(CC(=O)NC3CCCCC3)Cc3cccs3)C2)cc1Cl
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, and 2 halo groups.",CC1CCC(Nc2ccc(F)cc2Br)CC1
AddComponent,Modify the molecule O=C([O-])C([NH2+]C(c1ccccc1)c1ccccc1)c1ccc(C([NH2+]C(c2ccccc2)c2ccccc2)C(=O)[O-])s1 by adding a hydroxyl.,O=C([O-])C([NH2+]C(c1ccccc1)c1ccccc1)c1cc(O)c(C([NH2+]C(c2ccccc2)c2ccccc2)C(=O)[O-])s1
SubComponent,Please substitute a halo in the molecule COC(C)CCC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 with a hydroxyl.,COC(C)CCC(=O)N(CCC(=O)[O-])Cc1ccc(O)c(F)c1
DelComponent,Please remove a benzene ring from the molecule CCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2ccccc2C(=O)OCc2ccccc2-c2nn[n-]n2)s1.,CCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)C(=O)OCc2ccccc2-c2nn[n-]n2)s1
LogP,Optimize the molecule CCN(CC1(C=O)CCCCC1)c1ccccc1 to have a lower LogP value.,CCN(CC1(C=O)CCCCC1O)c1ccccc1
MR,Modify the molecule CCN(CC)C1(C#N)CCCC1S(C)(=O)=O to increase its MR value.,CCN(CCC(=O)O)C1(C#N)CCCC1S(C)(=O)=O
QED,Please optimize the molecule CCOC(=O)CC(C=S)OC(c1cc(Cl)ccc1NC)c1cccc(F)c1OC to have a lower QED value.,CCOC(=O)CC(C=S)OC(c1cc(Cl)ccc1C)c1cccc(F)c1OC
AtomNum,"There is a molecule composed of 39 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)C(Cc2ccccc2)C(=O)NC2CCCC2)c2ccc(C(C)C)cc2)cc1
BondNum,"There is a molecule composed of 8 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",Cc1c(C(C)[NH2+]Cc2cccc(Br)c2)cnn1C
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 halo group, and 2 sulfide groups.",Cc1nnc(Sc2cccc(F)c2C[NH3+])s1
AddComponent,Add a benzene ring to the molecule COC1CCCC(OCc2nc3cc(N)ccc3o2)C1.,COC1CCCC(OCc2nc3cc(N)cc(-c4ccccc4)c3o2)C1
SubComponent,Substitute a nitro in the molecule Cc1ccc(C)c(C([O-])=C2C(=O)C(=O)N(CC[NH+]3CCOCC3)C2c2cccc([N+](=O)[O-])c2)c1 with a thiol.,Cc1ccc(C)c(C([O-])=C2C(=O)C(=O)N(CC[NH+]3CCOCC3)C2c2cccc([SH]=O)c2)c1
DelComponent,Modify the molecule amide by removing a CC(=O)NC(C)c1cccn1-c1ccccc1.,CCc1cccn1-c1ccccc1
LogP,Modify the molecule O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1nn(-c2ccc(F)cc2)c2c1CCC2 to have a lower LogP value.,O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1nn(-c2ccc(O)cc2)c2c1CCC2
MR,Modify the molecule COc1ccc(N)c(NCC2CCC(O)CC2)n1 to decrease its MR value.,COc1ccc(N)c(CC2CCC(O)CC2)n1
QED,Modify the molecule CC(C)n1nc(-c2ccc(C3(c4ccc(OCc5nccs5)cc4)CC4CCC3C4)cc2)oc1=O to decrease its QED value.,CC(C)n1nc(-c2ccc(C3(c4ccc(OCc5nccs5)cc4)CC4(c5ccccc5)CCC3C4)cc2)oc1=O
AtomNum,"The molecule is composed of 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2SC(F)(F)F)c1C
BondNum,"Please generate a molecule with 14 single bonds, 4 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCCC(=O)Nc1ccc(C(=O)COC(=O)CCC(=O)c2ccc(F)cc2)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amine group.",CCOc1ccccc1NCCCNC(=O)OC(C)(C)C
AddComponent,Modify the molecule Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)Nc5ccc(F)cc5)c4C)CC3)cc2)cc1 by adding a hydroxyl.,Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)Nc5ccc(F)cc5)c4C)C(O)C3)cc2)cc1
SubComponent,Substitute a halo in the molecule Fc1cc(F)nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(F)cc(F)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(F)cc(F)n7)cn6)cc5)c4)cc3)nc2)n1 with a hydroxyl.,Oc1cc(F)nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(F)cc(F)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(F)cc(F)n7)cn6)cc5)c4)cc3)nc2)n1
DelComponent,Modify the molecule COc1cccc(-c2cc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)cc(Br)c2OCC(=O)[O-])c1 by removing a halo.,COc1cccc(-c2cc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)ccc2OCC(=O)[O-])c1
LogP,Modify the molecule Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)s1 to have a lower LogP value.,Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3O)c2)c(=O)s1
MR,Modify the molecule COC(=O)CC[NH2+]CC1CC(F)(F)C(=O)O1 to decrease its MR value.,COC(=O)CC[NH2+]CC1CC(F)C(=O)O1
QED,Modify the molecule CC(C)(C)C1CSC(c2ccc(C#N)cc2)SC1 to have a lower QED value.,CC(C)(C)C1CSC(C#N)SC1
AtomNum,"There is a molecule with 17 carbon atoms, 3 nitrogen atoms, and 1 fluorine atom.",Cc1cn(C2CCCC2)c(NC(C)c2cccc(F)c2)[nH+]1
BondNum,"There is a molecule consisting of 7 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",COc1cc(C)c(-c2cc(C(=O)[O-])ncn2)cc1C
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 2 amide groups.",Cc1ccc(-c2ccc(N(C)C)cc2)c(C(=O)Nc2ccc3c(c2)CCN3C(=O)Cc2ccccn2)c1
AddComponent,Modify the molecule COc1nc2c(cc1C(=O)N1CCCC(CNC(=O)c3ccco3)C1)CCC2 by adding a benzene ring.,COc1nc2c(cc1C(=O)N1CC(CNC(=O)c3ccco3)CCC1c1ccccc1)CCC2
SubComponent,Substitute a halo in the molecule CC(C[NH3+])c1[nH]n(C)c(=O)c1Cl with a hydroxyl.,CC(C[NH3+])c1[nH]n(C)c(=O)c1O
DelComponent,Please remove a halo from the molecule CCOc1ccccc1Oc1c(C(F)(F)F)oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc2c1=O.,CCOc1ccccc1Oc1c(C(F)F)oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc2c1=O
LogP,Please modify the molecule O=C(CNC1CCS(=O)(=O)C1)Nc1ccc(F)c(F)c1 to decrease its LogP value.,ONc1ccc(NC(=O)CNC2CCS(=O)(=O)C2)cc1F
MR,Modify the molecule C=CCn1c(SC(C)C(=O)N2CCc3ccccc3C2)nnc1-c1ccc(F)cc1 to decrease its MR value.,C=CCn1c(-c2ccc(F)cc2)nnc1[SH](C)C1Cc2ccccc2C1
QED,Modify the molecule O=C(Nc1cccc(Cl)c1Br)c1ncn[nH]1 to have a lower QED value.,ONc1cccc(NC(=O)c2ncn[nH]2)c1Br
AtomNum,"There is a molecule with 23 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 2 fluorine atoms.",Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3cc(F)ccc3F)CC2)nn1
BondNum,"There is a molecule with 17 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc(CC(NC(=O)[O-])C(N)=O)cc3)cc2)CC1
FunctionalGroup,Please generate a molecule composed of and 1 sulfone group.,Cc1cccnc1S(=O)(=O)[O-]
AddComponent,Add a hydroxyl to the molecule C[NH2+]C1CCCCCC1C[NH+](CC(C)C)C1CC1.,CC(C)C[NH+](CC1CCCCCC1[NH2+]CO)C1CC1
SubComponent,Modify the molecule halo by substituting a O=C([O-])CC1C[NH+](Cc2cc(Br)ccc2Cl)C1 with a hydroxyl.,O=C([O-])CC1C[NH+](Cc2cc(O)ccc2Cl)C1
DelComponent,Modify the molecule amide by removing a CC(=O)N(c1ccccc1)c1ccc2c(C(F)(F)F)cc(=O)oc2c1.,O=c1cc(C(F)(F)F)c2ccc(-c3ccccc3)cc2o1
LogP,Please optimize the molecule O=c1c2cc3[nH]c4cc(Cl)cc(S(=O)(=O)[O-])c4c(=O)c3cc2[nH]c2cc(Cl)cc(S(=O)(=O)[O-])c12 to have a lower LogP value.,O=c1c2cc3[nH]c4cc(Cl)cc(S(=O)(=O)[O-])c4c(=O)c3cc2[nH]c2cccc(S(=O)(=O)[O-])c12
MR,Optimize the molecule CN(C)c1ccc(CNC(=O)C=Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 to have a higher MR value.,CN(C)c1ccc(C(N)NC(=O)C=Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1
QED,Please optimize the molecule Cc1nnc(COC(=O)c2ccccc2NCCc2ccc(Cl)cc2)o1 to have a higher QED value.,Cc1nnc(COC(=O)c2ccccc2NCCc2ccccc2)o1
AtomNum,"The molecule contains 30 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, 3 fluorine atoms, and 2 chlorine atoms.",Cc1cc(C(C=Cc2ccc(CNC(=O)Cc3ccc(-n4ccc(N)nc4=O)nc3)c(Cl)c2)C(F)(F)F)cc(Cl)c1C
BondNum,"There is a molecule with 15 single bonds, 1 double bond, 6 rotatable bonds, and 16 aromatic bonds.",COc1ccc(C(=O)N2CCC(c3nn(CC[NH+](C)C)c4ncccc34)C2)cn1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CCN(CCC(O)c1ccc2c(c1)CC(=O)N2)c1ccccc1
AddComponent,Modify the molecule O=C1C[NH2+]C2=C(NC=CN2C2CCC(O)CC2)N1 by adding a hydroxyl.,O=C1NC2=C([NH2+]C1O)N(C1CCC(O)CC1)C=CN2
SubComponent,Substitute a CC1CCCCCN1c1cccc(F)c1CBr in the molecule halo with a nitro.,CC1CCCCCN1c1cccc(NO)c1CBr
DelComponent,Please remove a O=C(CCS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1)N1CCOCC1 from the molecule amide.,O=S(=O)(Cc1ccc(S(=O)(=O)N2CCCC2)o1)C1CCOCC1
LogP,Modify the molecule [NH3+]Cc1ccc(Cl)cc1-c1cccc2ccccc12 to decrease its LogP value.,CC(=O)c1ccc(C[NH3+])c(-c2cccc3ccccc23)c1
MR,Please modify the molecule N#CCSCCC[NH+]1CCN(c2cccc(Cl)n2)CC1 to increase its MR value.,N#CCSCCC[NH+]1CCN(c2cccc(NO)n2)CC1
QED,Modify the molecule COc1ccc(CN(C(=O)C2CC23CC[NH2+]CC3)C2CC2)cc1 to decrease its QED value.,COc1ccc(CC2(CC3CC3)CC[NH2+]CC2)cc1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, and 5 oxygen atoms.",C1=COC=COc2ccccc2OC=COC=CO1
BondNum,"The molecule has 1 single bond, 1 rotatable bond, and 16 aromatic bonds.",c1c[pH]c(-c2ccc3ccccc3c2)c1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 hydroxyl group, 2 amine groups, and 4 sulfone groups.",CNc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(Nc4cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c4)cc3)c(O)c12
AddComponent,Modify the molecule Cn1c(CN(C(=O)c2cccc3c2OCC3)c2ccccc2)cc2ccccc21 by adding a benzene ring.,Cn1c(CN(C(=O)c2cccc3c2OCC3)c2cccc(-c3ccccc3)c2)cc2ccccc21
SubComponent,Substitute a hydroxyl in the molecule Cc1ccsc1C1C(C(=O)c2cc3cc(Br)ccc3o2)=C(O)C(=O)N1Cc1cccnc1 with a nitrile.,Cc1ccsc1C1C(C(=O)c2cc3cc(Br)ccc3o2)=C(C#N)C(=O)N1Cc1cccnc1
DelComponent,Please remove a halo from the molecule O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(F)c(Cl)c1.,O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(F)cc1
LogP,Please optimize the molecule CCC[NH2+]CCCc1cnn(-c2ccc(C#N)cc2)c1 to have a lower LogP value.,CCC[NH2+]CCCc1cnn(-c2ccc(C#N)cc2)c1N
MR,Please optimize the molecule CON1OC2(OC)C=CC1CC2 to have a higher MR value.,CON1OC2(OC)CCC1C=C2O
QED,Modify the molecule CC(C(=O)NC1CCCC1)S(=O)(=O)Cc1c(F)cccc1Cl to decrease its QED value.,CC(C(=O)NC1CCCC1)S(=O)(=O)C(S)c1c(F)cccc1Cl
AtomNum,"The molecule has 28 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",COc1ccc(OC)c(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(c4ccc(C(C)C)cc4)C3=O)cc2)c1
BondNum,"Please generate a molecule with 18 single bonds, 4 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",CC(Sc1nn[n-]n1)C1=C(C(=O)OC(C)(C)C)N2C(=O)C(=O)C2SC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3cnc4ccccc4n3)CC(C1)O2
AddComponent,Add a benzene ring to the molecule CC(C)[NH2+]Cc1cccc(F)c1Oc1ccc(F)c(Br)c1.,CC(Cc1ccccc1)[NH2+]Cc1cccc(F)c1Oc1ccc(F)c(Br)c1
SubComponent,Modify the molecule halo by substituting a COCCn1c(=NC(=O)c2ccc3ncsc3c2)sc2ccc(Cl)c(Cl)c21 with a carboxyl.,COCCn1c(=NC(=O)c2ccc3ncsc3c2)sc2ccc(C(=O)[OH])c(Cl)c21
DelComponent,Please remove a halo from the molecule CN(C(=O)NCCc1ccc(Cl)cc1Cl)C1CCS(=O)(=O)C1.,CN(C(=O)NCCc1ccccc1Cl)C1CCS(=O)(=O)C1
LogP,Modify the molecule NC(=O)C1CCC[NH+](Cc2ccc(NC(=O)C=Cc3cc(Cl)c4c(c3)OCCO4)cc2)C1 to have a lower LogP value.,CC(=O)c1cc(C=CC(=O)Nc2ccc(C[NH+]3CCCC(C(N)=O)C3)cc2)cc2c1OCCO2
MR,Please modify the molecule COc1ccc(C(=O)Nc2cccc(F)c2)cc1NC(=O)C(C)NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)CC1 to increase its MR value.,COc1ccc(C(=O)Nc2cccc(O)c2)cc1NC(=O)C(C)NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)CC1
QED,Please modify the molecule CCn1c(N)c(N)c(N)nc1=S to increase its QED value.,CCn1c(N)c(N)cnc1=S
AtomNum,"The molecule has 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1cc(C#N)ccc1-c1nc(C2CCOC2)no1
BondNum,"Please generate a molecule consisting 7 single bonds, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",Cc1cc(Br)ccc1NC(C)(C)C#N
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 hydroxyl group.",CCOc1cc(C(C)(C)CO)ccc1C(=O)[O-]
AddComponent,Modify the molecule Cc1c(CNC(N)=O)c2ccccc2n1C by adding a benzene ring.,Cn1c(Cc2ccccc2)c(CNC(N)=O)c2ccccc21
SubComponent,Please substitute a halo in the molecule CCCCCCCS(=O)(=O)Nc1cccc(-c2nc3c(Cl)c(C(C)(C)C)[nH]n3n2)c1 with a hydroxyl.,CCCCCCCS(=O)(=O)Nc1cccc(-c2nc3c(O)c(C(C)(C)C)[nH]n3n2)c1
DelComponent,Please remove a amide from the molecule Cc1nc(C[NH+]2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)CC2)cs1.,Cc1nc(C[NH+]2CCC(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)C2)cs1
LogP,Modify the molecule CCC1CCC[NH+](Cc2cc(NC)ccn2)C1 to have a lower LogP value.,CCC1CCC(O)[NH+](Cc2cc(NC)ccn2)C1
MR,Modify the molecule CCCCC(CC)Cc1ccc(-c2c3cc(C(C)(C)C)sc3c(-c3ccc(CC(CC)CCCC)s3)c3cc(-c4sc(C)c5c(F)c(C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)sc45)sc23)s1 to increase its MR value.,CCCCC(CC)Cc1ccc(-c2c3cc(C(C)(C)C)sc3c(-c3ccc(CC(CC)C(CCC)c4ccccc4)s3)c3cc(-c4sc(C)c5c(F)c(C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)sc45)sc23)s1
QED,Please modify the molecule COC(=O)CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5C)C(C)=C4)c(C)c3C=Cc1cccc(C=Cc2c(C)c3cc4nc(cc5[nH]c(cc6nc(cc2[nH]3)C(C)=C6CCC(=O)OC)c(CCC(=O)OC)c5C)C(C)=C4)c1 to decrease its QED value.,COC(=O)CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5C)C(C)=C4)c(C)c3C=CC=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)OC)c(CCC(=O)OC)c4C)C(C)=C3
AtomNum,"There is a molecule composed of 10 carbon atoms, 1 oxygen atom, 1 fluorine atom, 1 chlorine atom, and 1 bromine atom.",O=C(c1ccccc1F)C(Br)CCCl
BondNum,"Please generate a molecule consisting 20 single bonds, 4 double bonds, 10 rotatable bonds, and 11 aromatic bonds.",CSCCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)c1[nH]c(C)c(C(C)=O)c1C
FunctionalGroup,There is a molecule composed of and 1 sulfone group.,CCn1cc(S(=O)(=O)N(CCC(=O)[O-])C(C)C)[nH+]c1C
AddComponent,Add a hydroxyl to the molecule O=c1[nH]c(=S)n(CCC2=CCCCC2)c([O-])c1C=NCCO.,O=c1[nH]c(=S)n(CCC2=CCCCC2)c([O-])c1C(O)=NCCO
SubComponent,Modify the molecule halo by substituting a COc1ccc(NC(=O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)c(C(=O)c2ccc(Cl)cc2)c1 with a thiol.,COc1ccc(NC(=O)C(CC(F)(F)S)NC(=O)OC(C)(C)C)c(C(=O)c2ccc(Cl)cc2)c1
DelComponent,Remove a CC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12 from the molecule halo.,CC(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12
LogP,Modify the molecule CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)NS(=O)(=O)c2ccc(Br)cc2)NC(=O)C2CCCN2C1=O to decrease its LogP value.,CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)NS(=O)(=O)c2ccc(O)cc2)NC(=O)C2CCCN2C1=O
MR,Please optimize the molecule CN1C(=C(C#N)C(=O)CCC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)N(C)c2ccccc21 to have a lower MR value.,CN1C(=CC(=O)CCC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)N(C)c2ccccc21
QED,Modify the molecule Cc1ccc(NC(=O)Cn2cccc2)cc1Br to have a lower QED value.,Cc1ccc(NC(=O)Cn2ccc(N)c2)cc1Br
AtomNum,"The molecule contains 13 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",O=C(c1cc(O)cc(O)c1)N1CCC(CCO)C1
BondNum,"The molecule has 10 single bonds, 2 double bonds, 5 rotatable bonds, and 15 aromatic bonds.",Cc1cc(C(=O)COC(=O)c2cnc3onc(C(C)C)c3c2)c(C)[nH]1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 halo group, and 1 sulfone group.",O=C([O-])C1(S(=O)(=O)c2ccc(Br)cc2)CC2(CCCC2)C1
AddComponent,Please add a hydroxyl to the molecule COc1ccccc1C(=O)COc1ccc(CO)cc1.,COc1ccccc1C(=O)COc1ccc(CO)cc1O
SubComponent,Substitute a halo in the molecule CCc1cccc(NC(N)=[NH+]C2CC2c2c(F)cccc2F)c1 with a carboxyl.,CCc1cccc(NC(N)=[NH+]C2CC2c2c(F)cccc2C(=O)[OH])c1
DelComponent,Remove a O=C([O-])C1CCCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)C1 from the molecule halo.,O=C([O-])C1CCCN(C(=O)NCc2ccc(F)cc2C(F)F)C1
LogP,Please modify the molecule COCCN(CCC#N)C(=O)CC1CC[NH2+]C1 to increase its LogP value.,CCN(CCOC)C(=O)CC1CC[NH2+]C1
MR,Please optimize the molecule O=C1C(=O)N(CCCCCCBr)c2ccccc21 to have a lower MR value.,Oc1ccccc1CCCCCCBr
QED,Please optimize the molecule Cc1ccc(Cl)cc1N(C(=O)c1ccc(O)c(C(N)=O)c1)c1cc(Cl)ccc1C to have a lower QED value.,Cc1ccc(Cl)cc1N(C(=O)c1ccc(O)c(C(N)=O)c1)c1cc(C(=O)[OH])ccc1C
AtomNum,"The molecule has 17 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",O=C([O-])C1CCCN(C(=O)C2CC(=O)N(c3ccc(F)cc3)C2)C1
BondNum,"Please generate a molecule composed of 10 single bonds, 1 double bond, 1 triple bond, and 4 rotatable bonds.",C=CCNC(C#N)C1CCOC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 ester group.",COC(=O)C([NH2+]CC1CC1)(c1ccccc1)C(C)C
AddComponent,Add a benzene ring to the molecule CCC1(C(C)(C)C)NC(=O)c2ccccc21.,CCC1(C(C)(C)C)NC(=O)c2c(-c3ccccc3)cccc21
SubComponent,Modify the molecule halo by substituting a CC1([NH3+])CC2CN(c3cnc(-c4cccc(C(F)(F)F)c4Cl)c(N)n3)CC2C1 with a aldehyde.,CC(=O)C(F)(F)c1cccc(-c2ncc(N3CC4CC(C)([NH3+])CC4C3)nc2N)c1Cl
DelComponent,Modify the molecule CC(COc1ccc(Cc2ccc(OCC3CO3)cc2)cc1)COc1ccc(Cc2ccc(OCC3CO3)cc2)cc1 by removing a benzene ring.,CC(COCc1ccc(OCC2CO2)cc1)COc1ccc(Cc2ccc(OCC3CO3)cc2)cc1
LogP,Modify the molecule C[NH+]1CCC(n2cc(-c3cnc(N)c(C(=O)Cl)c3)cn2)CC1 to have a lower LogP value.,CC(=O)C(=O)c1cc(-c2cnn(C3CC[NH+](C)CC3)c2)cnc1N
MR,Optimize the molecule COc1cccc(Cl)c1CNC(=O)C(C)(C)C(=O)[O-] to have a higher MR value.,COc1cccc(Cl)c1CNC(=O)C(C)(CCC=O)C(=O)[O-]
QED,Please optimize the molecule COc1cc(C(N)=[NH+]C(C)C)ccc1F to have a lower QED value.,CC(=O)c1ccc(C(N)=[NH+]C(C)C)cc1OC
AtomNum,"There is a molecule composed of 16 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C1CC[NH2+]C1
BondNum,"Please generate a molecule composed of 10 single bonds, and 1 double bond.",CN1CC[NH2+]CC(C)(C)C1=O
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 3 amine groups.",CCOc1ccc(NC(NCc2cccc(NC(=O)N3CCCC3)c2)=[NH+]C)cc1OC
AddComponent,Modify the molecule Cc1ccc(NC(=O)C(C)OC(=O)C(C)Sc2ccc([N+](=O)[O-])cc2)cc1F by adding a benzene ring.,Cc1ccc(NC(=O)C(C)OC(=O)C(C)Sc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)c1F
SubComponent,Modify the molecule hydroxyl by substituting a OCC[NH+]1CCN(c2nc(NCc3ccccc3)c3ncn(CC4CC4)c3n2)CC1 with a aldehyde.,CC(=O)CC[NH+]1CCN(c2nc(NCc3ccccc3)c3ncn(CC4CC4)c3n2)CC1
DelComponent,Modify the molecule halo by removing a Fc1ccccc1CSc1nnc(-c2ccco2)n1-c1ccccc1.,c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1
LogP,Please modify the molecule Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O to increase its LogP value.,Cc1ccc(S(C)(=O)=O)cc1C(=O)Oc1c(C)n(C)n(-c2ccccc2)c1=O
MR,Please optimize the molecule Cc1ccc(-c2nc(C(=O)N(C)CC(C)(C)O)cs2)o1 to have a lower MR value.,Cc1ccc(-c2nc(C(=O)N(C)CC(C)C)cs2)o1
QED,Please optimize the molecule Cc1nc(C)c(-c2nnc(S(=O)(=O)Cl)n2C(C)(C)C)s1 to have a higher QED value.,Cc1nc(C)c(-c2nnc([SH](=O)=O)n2C(C)(C)C)s1
AtomNum,"The molecule contains 11 carbon atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1cc(Cl)c(C2CNCC[NH2+]2)cc1F
BondNum,"The molecule is composed of 11 single bonds, 3 rotatable bonds, and 5 aromatic bonds.",Cc1ncc(C(C[NH3+])N2CCCCC2)s1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ketone group, 1 amide group, and 2 halo groups.",CN(CCOCCF)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3cccc(OCCF)c3)[nH+]c2n1
AddComponent,Please add a amine to the molecule Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1Cl.,Cc1c(N)cc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1Cl
SubComponent,Substitute a halo in the molecule CCCN(C(=O)c1cc(Cl)c[nH]1)C1CC2CCC(C1)[NH2+]2 with a nitro.,CCCN(C(=O)c1cc(NO)c[nH]1)C1CC2CCC(C1)[NH2+]2
DelComponent,Modify the molecule benzene ring by removing a [NH3+]CC(CCCc1c[nH]c2ccc(-n3cnnc3)cc12)(c1ccccc1)N1CC[NH2+]CC1.,[NH3+]CC(CCCc1c[nH]c2ccc(-n3cnnc3)cc12)N1CC[NH2+]CC1
LogP,Please optimize the molecule CC[NH+](C)CCCOc1ccc(-c2cccc(S(=O)(=O)CC)c2)c2c1[nH]c1ncc(C)cc12 to have a lower LogP value.,CC[NH+](C)CCCOc1ccc(S(=O)(=O)CC)c2c1[nH]c1ncc(C)cc12
MR,Please modify the molecule CCOc1cc(C=O)cc2scc(C#N)c12 to increase its MR value.,CC(=O)c1csc2cc(C=O)cc(OCC)c12
QED,Please optimize the molecule CC([NH3+])C(Oc1ccc2c(cnn2C2CCCC2)c1)c1ccccc1 to have a lower QED value.,CC([NH3+])C(Oc1ccc2c(cnn2C2(N)CCCC2)c1)c1ccccc1
AtomNum,"The molecule is composed of 11 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",CCOC1CCN(c2nc(N)ncc2Cl)CC1
BondNum,"The molecule contains 20 single bonds, 2 double bonds, and 3 rotatable bonds.",O=C(CC1CCC[NH2+]1)N1CCC(N2CCNC2=O)CC1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 2 halo groups.",CCOC(CNC(=O)c1cc(Cl)ncc1Cl)OCC
AddComponent,Modify the molecule CCOC(=O)CCN(CCC(C)C)C(=O)COc1ccc(OCC)cc1 by adding a nitrile.,CCOC(=O)CCN(CCC(C)C)C(=O)COc1ccc(OC(C)C#N)cc1
SubComponent,Please substitute a halo in the molecule N#CCNc1ccc(F)c(F)c1F with a aldehyde.,CC(=O)c1ccc(NCC#N)c(F)c1F
DelComponent,Remove a amine from the molecule Cc1ccc(CC(C)NC(=O)c2ccc(N)cn2)s1.,Cc1ccc(CC(C)NC(=O)c2ccccn2)s1
LogP,Please optimize the molecule COc1c(C)cc(C(=O)C(C)(C)O)cc1C to have a higher LogP value.,COc1c(C)cc(C(=O)C(C)C)cc1C
MR,Please modify the molecule Cc1ccccc1OC(=O)CNC(=O)c1ccc(C)c(C)c1C to increase its MR value.,Cc1ccccc1OC(=O)CNC(=O)c1cc(-c2ccccc2)c(C)c(C)c1C
QED,Modify the molecule CNC(=O)c1ccc(N)c(N2CC(C)OC(CO)C2)c1 to have a higher QED value.,CNC(=O)c1cccc(N2CC(C)OC(CO)C2)c1
AtomNum,"Please generate a molecule with 34 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",COc1cc2c(cc1OCC[NH+]1CCOCC1)C=NC(c1cccc(-c3ccccc3)c1)N2c1ccc2[nH]ncc2c1
BondNum,"The molecule has 15 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCC1(CC)CN(CCc2ccccc2F)C(C)C[NH2+]1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, 1 halo group, and 1 nitrile group.",Cc1ncccc1Nc1cc(Br)ccc1C#N
AddComponent,Modify the molecule CCOc1nn(C)c2ccc(NC(=O)c3ccnn3C)cc12 by adding a hydroxyl.,CCOc1nn(CO)c2ccc(NC(=O)c3ccnn3C)cc12
SubComponent,Modify the molecule Cc1cc(-c2cc[nH]c(=O)c2C#N)ccc1F by substituting a nitrile with a halo.,Cc1cc(-c2cc[nH]c(=O)c2Cl)ccc1F
DelComponent,Please remove a CC[NH+](CC)Cc1sccc1C#CCO from the molecule hydroxyl.,CC#Cc1ccsc1C[NH+](CC)CC
LogP,Modify the molecule CCOc1nc(N)n(Cc2ccccc2Br)n1 to decrease its LogP value.,CCOc1nc(N)n(Cc2ccccc2O)n1
MR,Modify the molecule CC1CCCC([NH2+]C(C)C(C)O)C1 to increase its MR value.,CC1CCCC([NH2+]C(C)(c2ccccc2)C(C)O)C1
QED,Please modify the molecule COc1ccc(C(=O)n2nc(C3CCOCC3)nc2NCc2ccc(Cl)s2)c(OC)c1 to decrease its QED value.,COc1ccc(C(=O)n2nc(C3CCOCC3O)nc2NCc2ccc(Cl)s2)c(OC)c1
AtomNum,"The molecule consists of 14 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC1C[NH2+]CC2(CCC(C(C)(C)C)CC2)O1
BondNum,"Please generate a molecule composed of 12 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",COc1ccccc1OCCNC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1
FunctionalGroup,"There is a molecule consisting of 1 amine group, and 1 sulfone group.",O=C(NC(C1CCC1)C1CCC1)N1CCCC(S(=O)(=O)NC2CCCC2)C1
AddComponent,Modify the molecule CCOc1cc(C=C(C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCc1ccccc1Cl by adding a amine.,CCOc1cc(C(N)=C(C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCc1ccccc1Cl
SubComponent,Please substitute a halo in the molecule Cc1nc(NC(C)(C)C)cc(C(=O)NCCc2cccc(Cl)c2)n1 with a nitro.,Cc1nc(NC(C)(C)C)cc(C(=O)NCCc2cccc(NO)c2)n1
DelComponent,Please remove a amine from the molecule CCn1cc(C)[nH+]c1NCCOC1CCCC1.,CCn1cc(C)[nH+]c1CCOC1CCCC1
LogP,Please optimize the molecule COc1ccc(-c2noc(C[NH+]3CCN(C(=O)C4=Cc5ccccc5OC4)CC3)n2)cc1 to have a higher LogP value.,COc1ccc(-c2noc(C[NH+]3CCC(C4COc5ccccc54)C3)n2)cc1
MR,Please optimize the molecule CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccc(OC)cc1)c1nc2c(OC)ccc(Cl)c2s1 to have a higher MR value.,CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccc(OC)cc1)c1nc2c(OC)ccc(C(=O)[OH])c2s1
QED,Please optimize the molecule CC(C)(O)C#Cc1ccc(C[NH+]2CCN(Cc3ccccc3F)C(=O)C2)cc1 to have a higher QED value.,CC(C)C#Cc1ccc(C[NH+]2CCN(Cc3ccccc3F)C(=O)C2)cc1
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 2 oxygen atoms, 2 chlorine atoms, 10 boron atoms, and 4 silicon atoms.",C[Si](C)(Cl)O[Si](C)(C)CBBBBBBBBBBC[Si](C)(C)O[Si](C)(C)Cl
BondNum,"The molecule consists of 13 single bonds, 2 double bonds, and 3 rotatable bonds.",CC1COC(C[NH3+])CN1S(=O)(=O)C(C)C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, and 1 halo group.",CC(NC(=O)CNC(=O)C[NH+]1CCCC(C(=O)[O-])C1)c1ccc(F)cc1
AddComponent,Add a benzene ring to the molecule CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(SCc4nccn4CCCC(=O)N(C)C)cc2)CCN3CC(C)C)cc1.,CCCCOC(COc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(SCc4nccn4CCCC(=O)N(C)C)cc2)CCN3CC(C)C)cc1)c1ccccc1
SubComponent,Please substitute a nitro in the molecule CCC(C)Sc1ncc([N+](=O)[O-])cc1C(=O)[O-] with a thiol.,CCC(C)Sc1ncc([SH]=O)cc1C(=O)[O-]
DelComponent,Please remove a NC(=O)c1cc(C(=O)[O-])c2cc(Cl)cc(Cl)c2n1 from the molecule halo.,NC(=O)c1cc(C(=O)[O-])c2cccc(Cl)c2n1
LogP,Modify the molecule CCOc1cccc(NCC2CCCC[NH+]2C)n1 to decrease its LogP value.,CCOc1ccc(N)c(NCC2CCCC[NH+]2C)n1
MR,Optimize the molecule N=C1C=CC(c2ccc3c(-c4ccc5ccccc5c4)c4c(c(-c5ccc6ccccc6c5)c3c2)=CCCC=4)=CC1=NNc1ccc(-c2cncc3ccccc23)cc1 to have a higher MR value.,N=C1C=CC(c2ccc3c(-c4ccc5ccccc5c4)c4c(c(-c5ccc6ccccc6c5)c3c2)=CCCC=4)=CC1=NNc1ccc(-c2cncc3ccccc23)c(C(=O)O)c1
QED,Optimize the molecule CC1CCCC(C(Cl)Cc2cccs2)C1 to have a lower QED value.,CC1CCCC(C(Cl)(Cc2cccs2)c2ccccc2)C1
AtomNum,"The molecule contains 12 carbon atoms, and 2 nitrogen atoms.",CC(C[NH3+])N(C)C1CCC(C)(C)CC1
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",CCN(CC(=O)NC)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 1 amine group, and 2 halo groups.",COc1cc(CNc2ccc(Br)nc2)cc(Br)c1O
AddComponent,Add a hydroxyl to the molecule CCC(C)(C(=O)NC(C)(C)CCOC(C)(C)CC1CCC(CC(C)(C)OCCC(C)(C)NC(=O)C(C)(CC)c2ccccc2)CC1)c1ccccc1.,CCC(C)(C(=O)NC(C)(C)CCOC(C)(C)CC1CCC(CC(C)(C)OC(O)CC(C)(C)NC(=O)C(C)(CC)c2ccccc2)CC1)c1ccccc1
SubComponent,Modify the molecule Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccc(C(C)C)cc1 by substituting a halo with a nitrile.,Cc1[nH]c2ccc(C#N)cc2c1CC(=O)Nc1ccc(C(C)C)cc1
DelComponent,Modify the molecule Cc1cc(C)cc(C(C)(O)Cc2cccs2)c1 by removing a hydroxyl.,Cc1cc(C)cc(C(C)Cc2cccs2)c1
LogP,Modify the molecule Cc1nc(C2CCCN(C(=O)C3(c4ccccc4)CCC3)C2)n[nH]1 to have a lower LogP value.,Cc1nc(C2CCCN(C(=O)C3CCC3)C2)n[nH]1
MR,Modify the molecule CC(S(C)(=O)=O)S(N)(=O)=O to have a lower MR value.,CC([SH](=O)=O)S(C)(=O)=O
QED,Modify the molecule CC1(C)CN(Cc2ccccc2OCC(=O)NCC2CC2)CC[NH2+]1 to increase its QED value.,CC1(C)CN(Cc2ccccc2OCC2CC2)CC[NH2+]1
AtomNum,"The molecule has 13 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 bromine atoms.",COCCn1cc(NCc2cc(Br)c(Br)o2)ccc1=O
BondNum,"Please generate a molecule consisting 6 single bonds, 2 double bonds, 4 rotatable bonds, and 22 aromatic bonds.",Cc1ccccc1-n1c(=S)sc2c(=O)nc(SCc3ccccc3F)[nH]c21
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 2 halo groups.",Cc1cc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc(C(=O)[O-])c1O
AddComponent,Modify the molecule COc1nc(-c2ccccn2)sc1-c1ccccc1 by adding a hydroxyl.,COc1nc(-c2cc(O)ccn2)sc1-c1ccccc1
SubComponent,Substitute a halo in the molecule CC1SCCCC1(C[NH3+])Nc1cccc2cc(Br)cnc12 with a thiol.,CC1SCCCC1(C[NH3+])Nc1cccc2cc(S)cnc12
DelComponent,Remove a benzene ring from the molecule CCC([NH2+]C)c1ccccc1N(C)Cc1cccc(C)c1.,CCC([NH2+]C)N(C)Cc1cccc(C)c1
LogP,Modify the molecule COCCn1c(SCC=Cc2ccccc2)nc2ccccc21 to decrease its LogP value.,C=CCSc1nc2ccccc2n1CCOC
MR,Modify the molecule CC(C)[NH2+]Cc1ccc(OC2CS(=O)(=O)CC2O)cn1 to increase its MR value.,CC(C)[NH2+]Cc1ccc(OC2CS(=O)(=O)CC2NO)cn1
QED,Please modify the molecule CCSCCCN1C(=O)NC(=O)C12CCC(C)CC2 to decrease its QED value.,CCSCCCN1C(=O)NC(=O)C12CCC(CO)CC2
AtomNum,"There is a molecule composed of 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=[N+]([O-])c1cccc(OCCSc2ccnc3ccccc23)c1
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(C)c1
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, and 2 sulfide groups.",OC(Cc1nccs1)c1cscn1
AddComponent,Modify the molecule COc1c(O)ccc(Br)c1C(=O)CC[NH3+] by adding a amine.,COc1c(O)c(N)cc(Br)c1C(=O)CC[NH3+]
SubComponent,Please substitute a halo in the molecule Nc1nnc(-c2cc(Cl)cc(Br)c2)c(-c2ccccc2)n1 with a carboxyl.,Nc1nnc(-c2cc(Br)cc(C(=O)[OH])c2)c(-c2ccccc2)n1
DelComponent,Remove a CCc1cccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1 from the molecule amide.,CCc1cccc(Oc2nc(-c3ccc(OC)cc3)c(C)s2)c1
LogP,Please modify the molecule Cc1ccc(NC(=O)c2cnc(NCc3ccccc3C)cn2)cc1Cl to decrease its LogP value.,Cc1ccc(NC(=O)c2cnc(NCc3ccccc3C)cn2)cc1
MR,Please modify the molecule CCCOc1cncc(C(=O)C(O)c2ccccc2)c1 to increase its MR value.,CCCOc1cncc(C(=O)C(C(=O)[OH])c2ccccc2)c1
QED,Optimize the molecule Cc1cc(S(=O)(=O)NCCc2ccc3ocnc3c2)ccc1F to have a lower QED value.,Cc1cc(S(=O)(=O)NCCc2ccc3ocnc3c2)ccc1C#N
AtomNum,"The molecule is composed of 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCC1(C(=O)[O-])CC1
BondNum,"There is a molecule with 9 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1cc(Oc2ccc(Br)cn2)cc(OC)c1OC
FunctionalGroup,"Please generate a molecule with 1 sulfide group, and 1 sulfone group.",Cc1sc(C[NH3+])nc1C1CCCS(=O)(=O)C1
AddComponent,Please add a carboxyl to the molecule CC1CCCC2(C)C1CCC13CCC(CC21)C(CS(C)(=O)=O)C3O.,CC1CCC(C(=O)O)C2(C)C1CCC13CCC(CC12)C(CS(C)(=O)=O)C3O
SubComponent,Please substitute a C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1 in the molecule halo with a hydroxyl.,C=CCn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccccc1
DelComponent,Remove a CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(SC#N)cc2)o1 from the molecule amine.,CS(=O)(=O)c1ccc(C(=O)Nc2ccc(SC#N)cc2)o1
LogP,Modify the molecule COc1cccc(N2C(=O)C(=O)C(=C([O-])c3cc(C)c(OC)cc3C)C2c2ccc(O)cc2)c1 to have a higher LogP value.,COc1cccc(N2C(=O)C(=O)C(=C([O-])c3cc(C)c(OC)cc3C)C2c2ccc(C#N)cc2)c1
MR,Modify the molecule Fc1cc(Cl)c(NCc2ccccc2C2CC2)c(Cl)c1 to increase its MR value.,Sc1cc(Cl)c(NCc2ccccc2C2CC2)c(Cl)c1
QED,Modify the molecule CC(NC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)C12CC3CC(CC(C3)C1)C2 to have a higher QED value.,CC(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)C12CC3CC(CC(C3)C1)C2
AtomNum,"There is a molecule consisting of 16 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",CC(C)(CC(=O)N(Cc1ccccc1Br)C1CC1)C(=O)[O-]
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",CCC(=O)Nc1ccccc1Sc1nc(Cl)nn1CCc1ccccc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 sulfide group.",Cc1sc(C[NH3+])cc1COc1cccc(N(C)C)c1
AddComponent,Modify the molecule CCOC(=O)C[NH2+]C(C)c1ccc2[nH]c(=O)[nH]c2c1 by adding a benzene ring.,CCOC(=O)C[NH2+]C(C)c1cc2[nH]c(=O)[nH]c2cc1-c1ccccc1
SubComponent,Modify the molecule C#CC(CCC)[NH2+]CC(O)COC1CCC(C)CC1 by substituting a hydroxyl with a thiol.,C#CC(CCC)[NH2+]CC(S)COC1CCC(C)CC1
DelComponent,Remove a hydroxyl from the molecule CC(CCC(O)CO)c1ccc(Br)cc1.,CC(O)CCC(C)c1ccc(Br)cc1
LogP,Please modify the molecule COC1CC(CC(=O)[O-])N(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1 to decrease its LogP value.,CC(=O)c1ccc2cc(C(=O)N3CC(OC)CC3CC(=O)[O-])[nH]c2c1
MR,Please modify the molecule CCSCC([NH3+])(C(=O)[O-])c1ccccc1 to decrease its MR value.,CCSCC([NH3+])C(=O)[O-]
QED,Optimize the molecule Nc1ccc(CSc2nccc(=O)[nH]2)c(F)c1 to have a higher QED value.,O=c1ccnc(SCc2ccccc2F)[nH]1
AtomNum,"There is a molecule with 48 carbon atoms, 7 oxygen atoms, and 1 nitrogen atom.",CCC=CCC=CCCCCCCCCCC(=O)OCC(COCCC(C(=O)[O-])[N+](C)(C)C)OC(=O)CCCCCCCC=CC=CC=CC=CC=CCCC
BondNum,"The molecule consists of 7 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",COC(=O)C(Nc1cccnc1)c1ccccc1Cl
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ester group, 1 amine group, 1 halo group, and 1 sulfone group.",O=C1OCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21
AddComponent,Modify the molecule CCC[NH2+]C(CO)COC(C)(C)CC by adding a benzene ring.,CCC([NH2+]C(CO)COC(C)(C)CC)c1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1nc2c(=O)n(CC(=O)NCc3ccccc3)nc(-c3ccc(Cl)cc3)c2s1 with a nitrile.,Cc1nc2c(=O)n(CC(=O)NCc3ccccc3)nc(-c3ccc(C#N)cc3)c2s1
DelComponent,Please remove a amide from the molecule CC1(C)CC1CN1C(=O)C2(CCCC2)[NH2+]C1C1CCCC1.,CC1(C)CC1CC1CCC1[NH2+]CC1CCCC1
LogP,Please optimize the molecule NC(=O)C1CCCN(C(=O)c2ccccc2[S-])C1 to have a lower LogP value.,NC(=O)C1CCCN(C(=O)[S-])C1
MR,Optimize the molecule CC(C)=CCCOc1ccc(C=Cc2ccccc2)c(C(=O)[O-])c1O to have a higher MR value.,CC(C)=CCCOc1ccc(C=Cc2ccccc2)c(C(=O)[O-])c1S
QED,Modify the molecule O=C1CCCC2=C1C(c1ccc(OCc3cccc(Br)c3)cc1)n1nc(SCc3ccccc3F)nc1N2 to have a lower QED value.,O=C1CCCC2=C1C(c1ccc(OCc3cccc(Br)c3)cc1)n1nc(SCc3ccccc3F)nc12
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCC[NH2+]C(C)c1ccccc1N1CCCC(CCO)C1
BondNum,"There is a molecule composed of 11 single bonds, 2 rotatable bonds, and 10 aromatic bonds.",[NH3+]C1CCC(c2nc3cccnc3n2C2CC2)C1
FunctionalGroup,There is a molecule composed of and 1 hydroxyl group.,OCc1nnn(-c2ccc3c(c2)OCO3)c1C1CC1
AddComponent,Modify the molecule Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccccc3OC(C)C)C2)cc1 by adding a benzene ring.,Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccccc3OC(C)C)C2)c(-c2ccccc2)c1
SubComponent,Please substitute a CCC(C)(C#N)c1ccnc(C)c1Cl in the molecule nitrile with a halo.,CCC(C)(I)c1ccnc(C)c1Cl
DelComponent,Modify the molecule Cc1nc(C)c(C(=O)N2CCc3ccccc3C2C(=O)[O-])s1 by removing a amide.,Cc1nc2(C)CCc3ccccc3C(C(=O)[O-])s1-2
LogP,Please optimize the molecule O=C(Nc1cccc(C(F)(F)F)c1)c1nn2c(c1Br)NC(c1ccccc1)CC2C(F)(F)F to have a lower LogP value.,O=C(Nc1cccc(C(O)(F)F)c1)c1nn2c(c1Br)NC(c1ccccc1)CC2C(F)(F)F
MR,Modify the molecule CCOC(=O)c1ccc(OC)c(CC)c1C#N to have a lower MR value.,CCOC(=O)c1ccc(OC)c(CC)c1O
QED,Modify the molecule N#Cc1cccc(CS(=O)c2ccc(F)cc2N)c1 to have a lower QED value.,N#Cc1cccc(CS(=O)c2ccc(F)cc2)c1
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",Cc1ccc(C(=O)Nc2ccc(OCC#N)cc2)cc1F
BondNum,"The molecule has 15 single bonds, 3 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)c1sc(NC(=O)C2CC(=O)N(c3cccc(C)c3)C2)nc1C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ketone group, 1 halo group, 2 thioether groups, and 3 sulfide groups.",CSc1sc(-c2ccnc(SCc3ccc(Cl)cc3)n2)c2c1C(=O)CCC2
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C(=O)Nc2cc(NC(=O)CNC(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)Nc5cc(F)ccc5F)ccc4C)CC3)ccc2Cl)cc1.,Cc1ccc(C(=O)Nc2cc(NC(=O)CNC(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)Nc5cc(F)ccc5F)ccc4C)CC3)cc(-c3ccccc3)c2Cl)cc1
SubComponent,Modify the molecule hydroxyl by substituting a C=CCN(C(C)(C)C)S(=O)(=O)c1cc(CO)oc1C with a nitrile.,C=CCN(C(C)(C)C)S(=O)(=O)c1cc(CC#N)oc1C
DelComponent,Please remove a halo from the molecule Cn1ncc2cc(Br)cc(Br)c21.,Cn1ncc2cccc(Br)c21
LogP,Modify the molecule CCOC(=O)C1CCC(O)(CC)C(C)C1C to increase its LogP value.,CCOC(=O)C1CCC(CC)C(C)C1C
MR,Modify the molecule Brc1cc(Br)c2cccnc2c1OCCC[NH2+]C1CC1 to have a higher MR value.,O=C(O)C(C[NH2+]C1CC1)COc1c(Br)cc(Br)c2cccnc12
QED,Modify the molecule CCCS(=O)(=O)c1ccc(Oc2cccc(-c3ncnc4c(C(F)(F)F)cccc34)c2)cc1 to decrease its QED value.,CC(=O)C(F)(F)c1cccc2c(-c3cccc(Oc4ccc(S(=O)(=O)CCC)cc4)c3)ncnc12
AtomNum,"The molecule has 17 carbon atoms, 2 nitrogen atoms, and 1 chlorine atom.",Clc1nc(C2(c3ccccc3)CC2)nc2c1CCCC2
BondNum,"Please generate a molecule composed of 6 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cn1nccc1CNc1c(N)cccc1Cl
FunctionalGroup,"The molecule consists of 1 amide group, and 1 sulfide group.",CCCCC(C[NH3+])NC(=O)Cc1coc(-c2cccs2)n1
AddComponent,Please add a amine to the molecule CCCC(O)C(CC(=O)OCC)c1nsc(NC(=O)OC(C)(C)C)n1.,CCCC(O)C(CC(=O)OCC)c1nsc(NC(=O)OC(C)(C)CN)n1
SubComponent,Substitute a Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(F)cc2s1 in the molecule halo with a carboxyl.,Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(C(=O)[OH])cc2s1
DelComponent,Please remove a benzene ring from the molecule O=C(NC1(c2cccc(F)c2)CCOCC1)C1C[NH2+]C1.,O=C(NC1(F)CCOCC1)C1C[NH2+]C1
LogP,Please modify the molecule CCOC(=O)C(Nc1ccccc1C)c1nccs1 to decrease its LogP value.,CCOC(=O)C(Nc1cccc(N)c1C)c1nccs1
MR,Optimize the molecule Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)c(C)o1 to have a higher MR value.,CC(=O)c1ccc(C(=O)NCC(=O)NNC(=O)c2cc(C)oc2C)o1
QED,Please modify the molecule COc1ccc(C(=O)Nc2cc(NC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCCC(C)C5)c4C)CC3)ccc2F)cc1 to decrease its QED value.,COc1ccc(C(=O)Nc2cc(NC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCCC(C)C5)c4C)CC3)ccc2F)c(O)c1
AtomNum,"The molecule consists of 12 carbon atoms, and 2 sulfur atoms.",CCC(SSC(CC)C(C)C)C(C)C
BondNum,"There is a molecule consisting of 10 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1C(C)[NH2+]C(C)c1cccc(Cl)c1Cl
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ketone group, and 1 amide group.",CCOc1ccc(CN(C)C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1OC
AddComponent,Please add a hydroxyl to the molecule COc1ccc(C(=O)C(C)(CI)C(=O)c2ccc(OC)cc2)cc1.,COc1ccc(C(=O)C(C)(CI)C(=O)c2ccc(OC)cc2O)cc1
SubComponent,Modify the molecule halo by substituting a Cc1cc(CNC(=O)NCc2ccc(F)cc2C(F)(F)F)c(C)o1 with a nitrile.,Cc1cc(CNC(=O)NCc2ccc(C#N)cc2C(F)(F)F)c(C)o1
DelComponent,Remove a COC(=O)C(=O)N(CC[NH+](C)C)CC(C)C from the molecule amide.,COOC(CC[NH+](C)C)C(C)C
LogP,Optimize the molecule CC(=O)NC1C(=O)N2C=C(NC(=O)OC(C)C)C(C(=O)OC(c3ccccc3)c3ccccc3)SC12 to have a lower LogP value.,CC(=O)NC1C(=O)N2C=C(NC(=O)OC(C)C)C(C(=O)OC(c3ccccc3)c3ccc(O)cc3)SC12
MR,Modify the molecule CC1CCC(C(C)C)N(C(=O)c2cnc3onc(C(C)C)c3c2)CC1 to increase its MR value.,CC1CCN(C(=O)c2cnc3onc(C(C)C)c3c2)C(C(C)C)C(C(=O)O)C1
QED,Optimize the molecule NC(=S)c1nccnc1NCC[NH+]1CCOCC1 to have a lower QED value.,NC(=S)c1ncc(O)nc1NCC[NH+]1CCOCC1
AtomNum,"Please generate a molecule with 18 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CC(c1ccccc1)N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
BondNum,"The molecule is composed of 14 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCC1CCC(N(C)c2ccc(Br)cc2C(N)=S)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, and 2 halo groups.",Clc1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1Cl
AddComponent,Modify the molecule CC(c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CCCOC1=O by adding a aldehyde.,CC(c1ccc(-c2ccc(=O)n(C)c2CC=O)cc1)N1CCCOC1=O
SubComponent,Please substitute a halo in the molecule O=C(NCCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2Cl)nc2ccccc12 with a nitrile.,N#Cc1ccc(CCNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c(Cl)c1
DelComponent,Remove a amide from the molecule C=CCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CC(=O)NCCOC)nc12.,C=CCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CCOC)nc12
LogP,Please optimize the molecule CCCCCCCCCCCCCCCCCCCCCCC(CC)C1OCC(O)C(O)C1O to have a higher LogP value.,CCCCCCCCCCCCCCCCCCCCCCC(CC)C1OCC(I)C(O)C1O
MR,Modify the molecule CCCc1c(N)ncnc1N(CC)CCC[NH+](CC)CC to decrease its MR value.,CCCc1cncnc1N(CC)CCC[NH+](CC)CC
QED,Please optimize the molecule CCC(C)C(C)(O)c1ccc2ncccc2c1 to have a lower QED value.,CCC(C)C(C)(NO)c1ccc2ncccc2c1
AtomNum,"There is a molecule composed of 22 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C[NH+](Cc1ccc(Cl)cc1)CO2
BondNum,"The molecule contains 12 single bonds, 3 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2c(C)noc2C(C)C)cc1
FunctionalGroup,There is a molecule with and 1 amide group.,Cc1ccc(=O)n(CC[NH+]2CCCCC2CNC(=O)C2CCC2)n1
AddComponent,Modify the molecule CN1CC[NH+](Cc2c(NC(=O)c3ccccc3F)sc3c2CCC3)CC1 by adding a hydroxyl.,CN1CC[NH+](Cc2c(NC(=O)c3ccccc3F)sc3c2CCC3)C(O)C1
SubComponent,Substitute a halo in the molecule CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F with a hydroxyl.,CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1F
DelComponent,Modify the molecule hydroxyl by removing a OCC1OC(c2ccc3nc(-c4nc5ccccc5s4)sc3c2)CC1O.,OCC1CCC(c2ccc3nc(-c4nc5ccccc5s4)sc3c2)O1
LogP,Optimize the molecule Fc1ccc2c(=[Te])c3c(=[Te])c4ccccc4c(=[Te])c=3c(=[Te])c2c1 to have a higher LogP value.,CC(=O)c1ccc2c(=[Te])c3c(=[Te])c4ccccc4c(=[Te])c=3c(=[Te])c2c1
MR,Please optimize the molecule CCCNc1cc([N+](=O)[O-])cc(OCC2CCOCC2)n1 to have a higher MR value.,CCC(S)Nc1cc([N+](=O)[O-])cc(OCC2CCOCC2)n1
QED,Modify the molecule CC(C)N(CCCOc1ccccc1C#N)CC(F)(F)F to have a higher QED value.,CC(C)N(CCC(Oc1ccccc1C#N)C(=O)O)CC(F)(F)F
AtomNum,"The molecule contains 38 carbon atoms, 11 oxygen atoms, 4 nitrogen atoms, 2 sulfur atoms, 1 fluorine atom, and 1 phosphorus atom.",CCOP(=O)(COc1ccc(CC(NC(=O)OC2C3COC4OC2CC4C3)C(O)CN(CC(C)(C)F)S(=O)(=O)c2ccc3nc(NC4CC4)sc3c2)cc1)OCC
BondNum,"The molecule consists of 5 single bonds, 1 double bond, 3 rotatable bonds, and 25 aromatic bonds.",O=C(Nc1nc2scc(-c3ccc(F)cc3)n2n1)c1ccc2ocnc2c1
FunctionalGroup,"The molecule contains 1 amine group, and 1 nitro group.",Nc1n[nH]c(-c2ccc([N+](=O)[O-])o2)n1
AddComponent,Add a benzene ring to the molecule CC[NH+](CCCC(=O)C1CCCCC1)CCc1ccc(COC)cc1.,CC[NH+](CCCC(=O)C1CCCCC1c1ccccc1)CCc1ccc(COC)cc1
SubComponent,Modify the molecule CCC(C[NH3+])NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] by substituting a halo with a aldehyde.,CC(=O)c1cc(C(=O)NC(CC)C[NH3+])c([N+](=O)[O-])cc1F
DelComponent,Remove a CCOc1ccccc1N1C(=O)C(Nc2ccc(N3CC[NH+](C)CC3)cc2)=C(Sc2ccc(Cl)cc2)C1=O from the molecule benzene ring.,CCOc1ccccc1N1C(=O)C(NN2CC[NH+](C)CC2)=C(Sc2ccc(Cl)cc2)C1=O
LogP,Modify the molecule CCC(CC)(CC)Nc1snc(C)c1C#N to have a higher LogP value.,CCC(CC)(CC)c1snc(C)c1C#N
MR,Modify the molecule COc1cc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)ccn1 to have a lower MR value.,COc1cc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)F)nc23)ccn1
QED,Please modify the molecule O=C(C[NH2+]CC1CC1)NCC(c1cccc(Cl)c1)[NH+]1CCOCC1 to decrease its QED value.,O=C(C[NH2+]CC1CC1)NCC(c1ccccc1)[NH+]1CCOCC1
AtomNum,"Please generate a molecule with 12 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",CSCC([NH3+])c1cc2cccc(C)c2o1
BondNum,"There is a molecule composed of 13 single bonds, 1 triple bond, and 8 rotatable bonds.",C#CC(CCCC)CCC(O)CC(C)C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ketone group, 1 ester group, and 1 amide group.",CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2C(C)=O)c1C
AddComponent,Please add a hydroxyl to the molecule CCCC(NC(=O)c1ccc(N(C)C)cc1)C(N)=[NH+]O.,CCCC(NC(=O)c1ccc(N(C)C)c(O)c1)C(N)=[NH+]O
SubComponent,Please substitute a halo in the molecule CCC(CC)(CNc1ccc(C(N)=S)c(Br)c1)SC with a thiol.,CCC(CC)(CNc1ccc(C(N)=S)c(S)c1)SC
DelComponent,Please remove a CCC1CCC([NH3+])C(Oc2ccc3c(c2)CCC(=O)N3)C1 from the molecule amide.,CCC1CCC([NH3+])C(Oc2ccc3c(c2)C3)C1
LogP,Please modify the molecule CN1N=C(C(C)(C)C(=O)[O-])CC1=O to increase its LogP value.,CN=CC(C)(C)C(=O)[O-]
MR,Please modify the molecule CC(=O)Nc1ccc(NC(=O)C(C)n2cnc3sc(C(=O)Nc4ccc(C)cc4C)c(C)c3c2=O)cc1 to increase its MR value.,CC(=O)Nc1ccc(NC(=O)C(C)n2cnc3sc(C(=O)Nc4ccc(C)cc4C)c(CCC=O)c3c2=O)cc1
QED,Please modify the molecule CC(F)c1coc(=O)n1-c1ccnc(NC(C)c2ncc(-c3ccnc(C(F)(F)F)c3)cn2)n1 to increase its QED value.,CC(C#N)c1coc(=O)n1-c1ccnc(NC(C)c2ncc(-c3ccnc(C(F)(F)F)c3)cn2)n1
AtomNum,"There is a molecule with 18 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1nc(Cc2ccccc2)sc1C(=O)N1CC(C)C(C(=O)[O-])C1
BondNum,"Please generate a molecule composed of 29 single bonds, 5 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CC(C)C(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(N)=O)c3)CC2)cc1Cl
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 4 halo groups.",CCCC1=CC=C(c2ccc(C3CCC(C4CCC(CCC)CC4)CC3)cc2)C(F)(F)C1(F)F
AddComponent,Modify the molecule CCC(=O)CC(SC(CC(=O)CC)c1cc(C)ccc1C)c1cc(C)ccc1C by adding a hydroxyl.,CCC(=O)CC(SC(CC(=O)C(C)O)c1cc(C)ccc1C)c1cc(C)ccc1C
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc(S(=O)(=O)NCC(O)(c2cccs2)c2cccs2)cc1C(N)=O with a carboxyl.,COc1ccc(S(=O)(=O)NCC(C(=O)[OH])(c2cccs2)c2cccs2)cc1C(N)=O
DelComponent,Remove a hydroxyl from the molecule CCCC([NH3+])C(C)(O)C(=O)[O-].,CCCC([NH3+])C(C)C(=O)[O-]
LogP,Please modify the molecule CCN(C)c1nc(N)nc(N(CC)CC)n1 to increase its LogP value.,CCN(C)c1ncnc(N(CC)CC)n1
MR,Modify the molecule O=C(CNS(=O)(=O)NCC(F)(F)F)N1CC[NH2+]CC1 to decrease its MR value.,O=C(CNS(=O)(=O)NCC(F)F)N1CC[NH2+]CC1
QED,Please optimize the molecule COc1ccc(-c2nc(-c3ccc(Br)s3)no2)c(O)c1 to have a lower QED value.,COc1ccc(-c2nc(-c3ccc(Br)s3)no2)c(O)c1O
AtomNum,"There is a molecule composed of 11 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",O=C(Nc1cc(Br)ccn1)C1CCCCS1(=O)=O
BondNum,"Please generate a molecule composed of 20 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",COCCOCC(=O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)C2c1ccccc1
FunctionalGroup,"The molecule has 1 amine group, and 1 sulfone group.",Cc1cc(CNCC2CCCS2(=O)=O)c(C)n1C
AddComponent,Modify the molecule NC(=O)c1c(-c2cc(F)ccc2F)noc1C(F)(F)Cl by adding a hydroxyl.,NC(=O)c1c(-c2cc(F)cc(O)c2F)noc1C(F)(F)Cl
SubComponent,Modify the molecule halo by substituting a CC(C)Oc1cccc(C(CCCC(F)(F)F)NN)c1 with a hydroxyl.,CC(C)Oc1cccc(C(CCCC(O)(F)F)NN)c1
DelComponent,Please remove a CC(CC(=O)Nc1cc2oc3cc(=[N+](C)C)ccc-3nc2c2ccccc12)c1ccc(S(=O)(=O)O)cc1 from the molecule amide.,CC(c1ccc(S(=O)(=O)O)cc1)c1cc2oc3cc(=[N+](C)C)ccc-3nc2c2ccccc12
LogP,Modify the molecule Cc1cc(CNC(=O)c2cnn(Cc3ccccc3Cl)c2)c(C)o1 to have a lower LogP value.,Cc1cc(CNC(=O)c2cnn(Cc3ccccc3NO)c2)c(C)o1
MR,Please optimize the molecule C[NH+](C)C=CC(=O)c1sccc1Br to have a lower MR value.,C[NH+](C)C=CC(=O)c1cccs1
QED,Please modify the molecule CC(O)CN(CCC(=O)[O-])C(=O)c1ccccc1Cl to decrease its QED value.,CC(O)CN(CCC(=O)[O-])C(=O)c1ccccc1C(=O)[OH]
AtomNum,"There is a molecule with 19 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CNc1ccccc1C(=O)OCCCCCC1CCC(=O)CC1=O
BondNum,"There is a molecule composed of 17 single bonds, 3 double bonds, 9 rotatable bonds, and 11 aromatic bonds.",O=C(CCCOc1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 3 halo groups.",O=C(Nc1c(F)cc(F)cc1Cl)C1CCC[NH2+]C1
AddComponent,Add a hydroxyl to the molecule CCCN(Cc1nc2c(ccc3cc(-c4ccc5c(ccc6[nH]c(C7C8CCC(C8)N7C(=O)C(NC(=O)OC)C7CCOCC7)nc65)c4)ccc32)[nH]1)C(=O)C(NC(=O)OC)c1ccccc1.,COC(=O)NC(C(=O)N(CCCO)Cc1nc2c(ccc3cc(-c4ccc5c(ccc6[nH]c(C7C8CCC(C8)N7C(=O)C(NC(=O)OC)C7CCOCC7)nc65)c4)ccc32)[nH]1)c1ccccc1
SubComponent,Modify the molecule CCCCN(CCCC)c1ccc(C=Cc2ccc(C(C#N)=C(C#N)C#N)s2)c(OCc2ccccc2)c1 by substituting a nitrile with a halo.,CCCCN(CCCC)c1ccc(C=Cc2ccc(C(I)=C(C#N)C#N)s2)c(OCc2ccccc2)c1
DelComponent,Modify the molecule amide by removing a CN1CC[NH+](Cc2ccccc2CNC(=O)CCC([NH3+])C(=O)[O-])CC1.,CN1CC[NH+](Cc2ccccc2CCC([NH3+])C(=O)[O-])CC1
LogP,Please modify the molecule CN(CC1CC1)S(=O)(=O)NCC1CCC[NH+]1CC1CCCCC1 to increase its LogP value.,CN(CC1CC1)S(=O)(=O)CC1CCC[NH+]1CC1CCCCC1
MR,Modify the molecule CN(CC1(O)CC[NH+](Cc2ccccc2)C1)C(=O)C1(C)CCCOC1 to increase its MR value.,CN(CC1(C(=O)[OH])CC[NH+](Cc2ccccc2)C1)C(=O)C1(C)CCCOC1
QED,Please optimize the molecule CC(C)(C)c1cc(C(C)(C)C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)c(C(C)(C)C)c1 to have a lower QED value.,CC(C)(C)c1cc(C(C)(C)C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)c(O)c3Cl)CC2)c(C(C)(C)C)c1
AtomNum,"There is a molecule with 18 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1cccc(OCCSCc2cc([N+](=O)[O-])cc3c2OCOC3)c1
BondNum,"The molecule contains 21 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CC[NH+](CC)CCCC1CCCCN1C(=O)N1c2ccccc2C(=O)Nc2cccnc21
FunctionalGroup,The molecule contains and 1 hydroxyl group.,CCc1nnc(C)cc1C(O)Cc1ccn(C)n1
AddComponent,Please add a carboxyl to the molecule O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1n[nH]nc1-c1ccccc1.,O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1n[nH]nc1-c1ccccc1C(=O)O
SubComponent,Please substitute a N#Cc1ccc(N2Cc3ccccc3C2)cn1 in the molecule nitrile with a nitro.,ONc1ccc(N2Cc3ccccc3C2)cn1
DelComponent,Please remove a CCC[NH2+]CC1CCCCN1Cc1ccc(Cl)s1 from the molecule halo.,CCC[NH2+]CC1CCCCN1Cc1cccs1
LogP,Modify the molecule CON=C1CN(S(=O)(=O)c2ccc(C)cc2)C1C to decrease its LogP value.,CON=C1CN(S(C)(=O)=O)C1C
MR,Please optimize the molecule C[NH2+]Cc1ccc(S(=O)(=O)N(CC(C)C)C(C)C)o1 to have a higher MR value.,CC(C)CN(C(C)C)S(=O)(=O)c1ccc(C[NH2+]CO)o1
QED,Modify the molecule O=C([O-])n1nncc1Br to decrease its QED value.,O=C([O-])n1ccnn1
AtomNum,"Please generate a molecule with 18 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC12OCC(c3ccccc3)N1C(=O)C1C3C=CC(C3)C12
BondNum,"Please generate a molecule composed of 19 single bonds, 9 rotatable bonds, and 18 aromatic bonds.",CCC1OC(c2ccc(C)c(CO)c2)C(OCc2ccccc2)C(OCc2ccccc2)C1C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, and 1 sulfone group.",COCCCC1(CNC(=O)C2C[NH2+]CC(NS(=O)(=O)c3ccc(C)cc3)C2)c2ccccc2Oc2ccccc21
AddComponent,Add a benzene ring to the molecule Cc1ccc(Cc2c(-c3ccco3)nc3ccc(Br)cn23)cc1.,Cc1ccc(Cc2c(-c3ccc(-c4ccccc4)o3)nc3ccc(Br)cn23)cc1
SubComponent,Modify the molecule nitrile by substituting a Cc1ccc(CCNc2c(F)cc(C#N)cc2F)cn1 with a carboxyl.,Cc1ccc(CCNc2c(F)cc(C(=O)[OH])cc2F)cn1
DelComponent,Remove a amine from the molecule CCCOc1ccc(NC2CCCC3CC32)cc1.,CCCOc1ccc(C2CCCC3CC32)cc1
LogP,Modify the molecule Cc1nc(Cl)cc2nnc(C3CCCC3)n12 to have a lower LogP value.,CC(=O)c1cc2nnc(C3CCCC3)n2c(C)n1
MR,Please optimize the molecule CCOCCSc1nc2cc(C(=O)OC)ccc2c(=O)n1CC(C)O to have a higher MR value.,CCOCCSc1nc2cc(C(=O)OC)ccc2c(=O)n1CC(C)NO
QED,Modify the molecule COc1cccc(CC[NH2+]C=C(C#N)C(=O)NCCCCl)c1 to have a lower QED value.,COc1cccc(CC[NH2+]C=C(C#N)C(=O)NCCCS)c1
AtomNum,"There is a molecule composed of 17 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 3 fluorine atoms.",OC1(C[NH+]2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)CCCCC1
BondNum,"Please generate a molecule composed of 9 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",C=CCc1c(O)ccc2c1OC(C)CC2=O
FunctionalGroup,The molecule consists of and 2 hydroxyl groups.,CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCCC
AddComponent,Add a hydroxyl to the molecule Cc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)[O-])cn2C.,Cc1nn(-c2ccc(F)c(O)c2)c2c1c(=O)c(C(=O)[O-])cn2C
SubComponent,Please substitute a halo in the molecule Cc1cc(OCC=C(c2ccc(Cl)cc2)c2ccc(C#Cc3ccccn3)cc2)ccc1OCC(=O)[O-] with a aldehyde.,CC(=O)c1ccc(C(=CCOc2ccc(OCC(=O)[O-])c(C)c2)c2ccc(C#Cc3ccccn3)cc2)cc1
DelComponent,Modify the molecule amine by removing a COc1c(-c2cc(C(=O)Nc3cc(C[NH+]4CCCC4)cc(C(F)(F)F)c3)ccc2C)cc2cnc(N)nc2c1-c1cnn(C)c1.,COc1c(-c2cc(C(=O)Nc3cc(C[NH+]4CCCC4)cc(C(F)(F)F)c3)ccc2C)cc2cncnc2c1-c1cnn(C)c1
LogP,Please optimize the molecule CCOCC[NH2+]C1c2ccccc2-c2cc(Cl)c(N(CC)CC)cc21 to have a lower LogP value.,CCOCC[NH2+]C1c2ccccc2-c2ccc(N(CC)CC)cc21
MR,Please modify the molecule C[NH2+]CCCc1csc2cccc(C(F)(F)F)c12 to decrease its MR value.,C[NH2+]CCCc1csc2cccc(C(F)F)c12
QED,Modify the molecule O=c1ccnc(-c2ccc(F)c3ccccc23)[nH]1 to decrease its QED value.,O=c1ccnc(-c2cccc3ccccc23)[nH]1
AtomNum,"The molecule contains 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CCN1CC[NH+](CC(=O)c2cc(Cl)c(C)cc2OC)CC1
BondNum,"The molecule has 10 single bonds, and 7 rotatable bonds.",CCC(COC)OCCCO
FunctionalGroup,"There is a molecule with 1 amide group, and 3 sulfide groups.",CC(C)[NH+]1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2-c2nc3ccccc3s2)C1
AddComponent,Modify the molecule CCCC(NC(=O)CCCC[NH2+]C)C1CCCCC1C by adding a hydroxyl.,CCCC(NC(=O)CCCC[NH2+]C)C1C(C)CCCC1O
SubComponent,Modify the molecule CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(OC(=O)CCCO[N+](=O)[O-])C(=O)COC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-] by substituting a hydroxyl with a carboxyl.,CC12C=CC(=O)C=C1CCC1C2C(C(=O)[OH])CC2(C)C1CCC2(OC(=O)CCCO[N+](=O)[O-])C(=O)COC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-]
DelComponent,Please remove a halo from the molecule CCCCCC(C)(C)Cn1c(C)nnc1Cl.,CCCCCC(C)(C)Cn1cnnc1C
LogP,Modify the molecule CC1(C)C(C(=O)[O-])C1C(=O)Nc1cccc2[nH]ccc12 to have a higher LogP value.,CC(C)(CC(=O)[O-])c1cccc2[nH]ccc12
MR,Please optimize the molecule Cc1ccc(OCCC(=O)NCCCC(C)CO)cc1C to have a lower MR value.,Cc1ccc(OCCCCC(C)CO)cc1C
QED,Modify the molecule CN(CC1CCCO1)C(=O)C([NH3+])c1cnn(C)c1 to decrease its QED value.,CN(CC1CCCO1)C(=O)C([NH3+])c1cnn(CC(=O)O)c1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 4 oxygen atoms, and 6 nitrogen atoms.",Nc1ncnc2c1N=C(c1ccc([N+](=O)[O-])cc1)CC(c1ccc3c(c1)OCO3)N2
BondNum,"Please generate a molecule consisting 9 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",CC1CCCCC1Nc1cnns1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 2 halo groups, and 2 nitrile groups.",N#Cc1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1C#N
AddComponent,Add a amine to the molecule O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc2ccccc2c1.,Nc1ccc(-n2c(SCC(=O)Nc3ccc4ccccc4c3)nnc2-c2cccs2)cc1
SubComponent,Modify the molecule CCCCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c1 by substituting a halo with a thiol.,CCCCOC(=O)c1cccc(NC2=C(S)C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c1
DelComponent,Please remove a amine from the molecule CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c1.,CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c1
LogP,Optimize the molecule CN(c1ccc(O)cc1)c1nc(C[NH3+])cs1 to have a lower LogP value.,CN(O)c1nc(C[NH3+])cs1
MR,Please optimize the molecule Clc1ccc(-c2nnc3cc(Cl)ncn23)cc1 to have a higher MR value.,CC(=O)c1ccc(-c2nnc3cc(Cl)ncn23)cc1
QED,Optimize the molecule CCC(CCn1ccc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21)C(=O)[O-] to have a higher QED value.,CCC(CCn1ccc2c(-c3noc(-c4ccc(OC(C)C)c(O)c4)n3)cccc21)C(=O)[O-]
AtomNum,"Please generate a molecule consisting 26 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CN(C)C(=O)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccccc2)cc1
BondNum,"Please generate a molecule with 15 single bonds, 8 rotatable bonds, and 10 aromatic bonds.",CCOCC1(CCc2cccs2)CC[NH+](Cc2cnn(C)c2)C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 halo group.",O=C(NCCc1ccc2c(c1)OCO2)Nc1cccc(Br)c1
AddComponent,Modify the molecule COc1cc(NC(=O)N2CCCC(Oc3ccnc(C(N)=O)c3)C2)cc(OC)c1 by adding a amine.,COc1cc(NC(=O)N2CCCC(Oc3cc(N)nc(C(N)=O)c3)C2)cc(OC)c1
SubComponent,Substitute a halo in the molecule C=C(F)C(=C)OC(CO)C(=O)OCC(=O)c1ccc(C(F)(F)F)cc1 with a carboxyl.,C=C(OC(CO)C(=O)OCC(=O)c1ccc(C(F)(F)F)cc1)C(=C)C(=O)[OH]
DelComponent,Please remove a halo from the molecule Cc1csc(C(=O)NCCCC(C)CO)c1Cl.,Cc1csc(C(=O)NCCCC(C)CO)c1
LogP,Modify the molecule CCCc1c(N)nnn1-c1ccc([N+](=O)[O-])c(F)c1 to have a lower LogP value.,CCCc1c(N)nnn1-c1ccc([SH]=O)c(F)c1
MR,Modify the molecule CCc1cc(-c2ccc(-c3ccc(OC(F)(F)F)c(F)c3)c(F)c2)ccc1C#Cc1ccc(C)cc1 to increase its MR value.,CCc1cc(-c2ccc(-c3cc(F)c(OC(F)(F)F)cc3O)c(F)c2)ccc1C#Cc1ccc(C)cc1
QED,Modify the molecule C[NH+](C)CC1(c2ccc(CCN3Cc4c(NC(=O)c5ccc(Cl)s5)cccc4C3=O)cc2)CC1 to decrease its QED value.,C[NH+](C)CC1(c2ccc(CCN3Cc4c(NC(=O)c5ccc(S)s5)cccc4C3=O)cc2)CC1
AtomNum,"There is a molecule composed of 12 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",CC(C)(C#N)CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F
BondNum,"There is a molecule with 5 single bonds, 3 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",Cn1cc(C(=O)Nc2cccnc2)c(=O)n(C)c1=O
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 amide groups.",CC(C)(C)c1cc(C(N)=O)cc(C(=O)N2C3=CC=CC2=C3)c1
AddComponent,Please add a hydroxyl to the molecule O=C(CN1C(=O)CC1S(=O)Cc1ccccc1)NCCCCCC(=O)c1ccc(Cl)cc1.,O=C(CN1C(=O)CC1S(=O)Cc1ccccc1)NCCC(O)CCC(=O)c1ccc(Cl)cc1
SubComponent,Modify the molecule C[NH+]=C(NCc1nc(C(C)C)c(C)s1)NC1CCCC1C#N by substituting a nitrile with a aldehyde.,CC(=O)C1CCCC1NC(NCc1nc(C(C)C)c(C)s1)=[NH+]C
DelComponent,Modify the molecule Cc1cccnc1NC(=O)C1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 by removing a amide.,Cc1cccnc1C1CCCN1C(=O)CCc1ccc2c(c1)OCO2
LogP,Please optimize the molecule Cc1ccc(-n2c(SCc3ccccc3F)nc3sc4c(c3c2=O)CC[NH+](Cc2ccccc2)C4)cc1 to have a lower LogP value.,Cc1ccc(-n2c(SCc3ccccc3NO)nc3sc4c(c3c2=O)CC[NH+](Cc2ccccc2)C4)cc1
MR,Modify the molecule O=C(NCc1ccc(F)cc1)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1 to have a lower MR value.,O=C(NCF)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1
QED,Modify the molecule CN(CCOC(=O)c1ccccc1)C1=NS(=O)(=O)c2ccccc21 to decrease its QED value.,CN(CCOC=O)C1=NS(=O)(=O)c2ccccc21
AtomNum,"There is a molecule composed of 11 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",C=CS(=O)(=O)CCCNc1ccc(N)cc1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",CSCCC([NH3+])C(=O)NC(C)c1cn(-c2ccccc2)nn1
FunctionalGroup,"Please generate a molecule consisting 3 amide groups, and 1 halo group.",NC(=O)C1CC(F)C[NH+]1CC(=O)N1CC(=O)Nc2ccccc21
AddComponent,Please add a hydroxyl to the molecule COCc1csc(NC(=O)CC2(O)CCCC2)n1.,O=C(CC1(O)CCCC1)Nc1nc(COCO)cs1
SubComponent,Substitute a halo in the molecule Cc1ccc2[nH+]cc(C(=O)Nc3cc(C(=O)NC4c5ccccc5CC4O)c(Cl)cc3F)n2c1 with a nitrile.,Cc1ccc2[nH+]cc(C(=O)Nc3cc(C(=O)NC4c5ccccc5CC4O)c(C#N)cc3F)n2c1
DelComponent,Modify the molecule CCc1nc2cnc3cc(Br)ccc3c2n1CC1CCN(C(=O)OC(C)(C)C)CC1 by removing a halo.,CCc1nc2cnc3ccccc3c2n1CC1CCN(C(=O)OC(C)(C)C)CC1
LogP,Modify the molecule C=CCOC(=O)c1cc(I)c(OCc2cccc(Br)c2)c(OC)c1 to have a lower LogP value.,CC(=O)c1cc(C(=O)OCC=C)cc(OC)c1OCc1cccc(Br)c1
MR,Optimize the molecule COc1ccc(-c2c(C)c3cc(OCc4cccc(F)c4)ccc3oc2=O)cc1 to have a higher MR value.,COc1ccc(-c2c(C)c3cc(OCc4cccc(C#N)c4)ccc3oc2=O)cc1
QED,Please optimize the molecule CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1 to have a lower QED value.,CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2(c3ccc(S)cc3)CCC2)c1
AtomNum,"The molecule is composed of 22 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 3 fluorine atoms.",CC(NC(=O)C1C=CC2=C([NH2+]1)N(C(=O)Nc1cc3c(cn1)OCCC3)C1CC[NH+]2C1)C(F)(F)F
BondNum,"Please generate a molecule consisting 15 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CSc1ccc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1[N+](=O)[O-]
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 thioether group, and 2 sulfide groups.",Cc1ccc(NC(=O)CSc2csc(C(=O)[O-])c2)cc1C
AddComponent,Add a benzene ring to the molecule Cn1nncc1CNc1ccc(F)c(NC(=O)C2CCCCC2)c1.,Cn1nncc1CNc1cc(NC(=O)C2CCCCC2)c(F)cc1-c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule COc1ccc(-c2cn(-c3cccc(C(=O)C=Cc4ccc(O)c(OC)c4)c3)nn2)cc1 with a thiol.,COc1ccc(-c2cn(-c3cccc(C(=O)C=Cc4ccc(S)c(OC)c4)c3)nn2)cc1
DelComponent,Modify the molecule CCn1c(=O)n(CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21 by removing a amide.,CCn1c(=O)n(CC2CCN(c3ccc([N+](=O)[O-])cc3)C2)c2ccccc21
LogP,Modify the molecule COC(=O)c1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1O to increase its LogP value.,CC(=O)c1ccc(OCc2ccc(C(=O)Nc3cccc(C(=O)OC)c3O)o2)cc1
MR,Please optimize the molecule Cc1ccc2c(c1[O-])C(=O)c1c(cc(O)c(C(=O)[O-])c1C)C21CCC2(O)c3cc(O)c(C(=O)[O-])c(C)c3C(=O)c3c([O-])c(C)cc1c32 to have a higher MR value.,Cc1cc2c3c(c1[O-])C(=O)c1c(cc(O)c(C(=O)[O-])c1C)C3(O)CCC21c2cc(O)c(C(=O)[O-])c(C)c2C(=O)c2c1ccc(Cc1ccccc1)c2[O-]
QED,Modify the molecule COc1ccccc1CC([NH3+])Cc1ccc(Br)s1 to decrease its QED value.,COc1ccccc1CC([NH3+])Cc1ccc(C(=O)[OH])s1
AtomNum,"There is a molecule composed of 15 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC[NH+]1CCCC(N2C(=O)C(C)NC(=O)C2C(C)C)C1
BondNum,"There is a molecule consisting of 9 single bonds, 1 triple bond, 3 rotatable bonds, and 18 aromatic bonds.",Cc1c(-c2cccc(Cl)c2)nc(N)c(C#N)c1-c1ccc(N(C)C)cc1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, and 2 halo groups.",O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccccc1I
AddComponent,Please add a hydroxyl to the molecule COc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OC(C)C(=O)[O-].,COc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OC(C)C(=O)[O-]
SubComponent,Modify the molecule hydroxyl by substituting a CCC(C)(NC(=O)C1CC(O)CN1C(=O)C(CO)NC(=O)CCC(=O)[O-])C(=O)NC(Cc1ccncc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CCCC[NH3+])C(=O)NC(C)(C)C(C)=O with a carboxyl.,CCC(C)(NC(=O)C1CC(C(=O)[OH])CN1C(=O)C(CO)NC(=O)CCC(=O)[O-])C(=O)NC(Cc1ccncc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CCCC[NH3+])C(=O)NC(C)(C)C(C)=O
DelComponent,Please remove a halo from the molecule [NH3+]CC1CC[NH+](Cc2ncc(Cl)s2)C1.,[NH3+]CC1CC[NH+](Cc2nccs2)C1
LogP,Please modify the molecule Ic1ccc(-n2cc(-c3nc4ccccc4[nH]3)nn2)cc1 to decrease its LogP value.,In1cc(-c2nc3ccccc3[nH]2)nn1
MR,Optimize the molecule CC(CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CC[NH2+]CC1 to have a higher MR value.,CC(CN(C(=O)c1ccc(C(=O)[OH])cc1)c1ccccn1)N1CC[NH2+]CC1
QED,Please modify the molecule CC(C)c1c(N)ncnc1N(C)C(C)c1ccccc1F to increase its QED value.,CC(C)c1c(N)ncnc1N(C)C(C)c1ccccc1C#N
AtomNum,"Please generate a molecule composed of 27 carbon atoms, 3 oxygen atoms, 1 fluorine atom, and 2 chlorine atoms.",CCOC(=O)C1C2Cc3cc(OCc4c(F)ccc(-c5c(Cl)cccc5Cl)c4C)ccc3C21
BondNum,"There is a molecule composed of 10 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",O=C([O-])c1ccc(NCC2(O)CCC2)o1
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,Cc1ccc(-c2ccc3c(NC(=O)NCC[NH+]4CCCCC4)n[nH]c3c2)cc1
AddComponent,Please add a hydroxyl to the molecule CCC(C)C(NC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(CO)C(=O)NC(CCCC[NH3+])C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CO)C(=O)[O-].,CCC(C)C(NC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(CO)C(=O)NC(CCCC[NH3+])C(=O)NC(CC(C)C)C(=O)NC(C)(O)C(=O)NC(CO)C(=O)[O-]
SubComponent,Modify the molecule O=C([O-])CCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCCOCCO by substituting a hydroxyl with a thiol.,O=C([O-])CCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCCOCCS
DelComponent,Modify the molecule amide by removing a Cn1ccnc1C(NC(=O)C=Cc1ccc(C(F)(F)F)cc1)c1ccccc1.,Cn1ccnc1C(Cc1ccc(C(F)(F)F)cc1)c1ccccc1
LogP,Please modify the molecule CCC(CCCCC(O)COCc1ccccc1)n1cnc2c(Cl)ncnc21 to increase its LogP value.,CCC(CCCCCCOCc1ccccc1)n1cnc2c(Cl)ncnc21
MR,Modify the molecule CNc1ccc(C(F)(F)F)cc1C(=O)NCC(C)S(C)=O to have a lower MR value.,CNc1ccc(C(F)F)cc1C(=O)NCC(C)S(C)=O
QED,Please modify the molecule Cc1ccccc1C(=O)C=CC(F)(F)F to increase its QED value.,Cc1ccccc1C(=O)C=CC(F)(F)C(=O)[OH]
AtomNum,"Please generate a molecule with 23 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",COc1ccc(CNc2ccnc(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1
BondNum,"Please generate a molecule with 9 single bonds, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",CCC(CCO)Nc1ccc(F)cc1C#N
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ester group, 1 amide group, 2 thioether groups, and 2 sulfide groups.",CSc1nc(C)c(CCC(=O)OCC(=O)NCCSc2ccccc2)c(C)n1
AddComponent,Add a aldehyde to the molecule COC(=O)c1cc(C)c(CC(Cc2cc(-n3ccnc3)ccc2C)OC(=O)C(Cc2ccc(O)cc2)NS(=O)Oc2ccc(C)cc2)c(C)c1.,COC(=O)c1cc(C)c(CC(Cc2cc(-n3ccnc3)ccc2C)OC(=O)C(Cc2ccc(O)cc2)NS(=O)Oc2ccc(C)cc2)c(CCC=O)c1
SubComponent,Please substitute a halo in the molecule CC(=O)Nc1ccc(NC(=O)N(C)Cc2nc3ccccc3s2)c(Cl)c1 with a nitro.,CC(=O)Nc1ccc(NC(=O)N(C)Cc2nc3ccccc3s2)c(NO)c1
DelComponent,Modify the molecule C[n+]1ccc2c([N+](=O)[O-])cccc2c1 by removing a nitro.,C[n+]1ccc2(O)c(ccc-2[O-])c1
LogP,Please modify the molecule N#Cc1c(C#N)c(Nc2ccc(Cl)cc2)c2ccccc2c1[O-] to decrease its LogP value.,N#Cc1c(C#N)c(Nc2ccc(Cl)c(O)c2)c2ccccc2c1[O-]
MR,Please optimize the molecule Cc1ccc(O)c(C(=O)NC2(C(=O)[O-])CCC2)c1 to have a higher MR value.,Cc1ccc(O)c(C(=O)NC2(C(=O)[O-])CCC2c2ccccc2)c1
QED,Please modify the molecule CCOC(=O)C1CCN(C(=O)CC2CC(C3=CC=C(Cl)CC3)=NO2)CC1 to increase its QED value.,CCOC(=O)C1CCC2(CC1)CC(C1=CC=C(Cl)CC1)=NO2
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C2CCc3cc(C)ccc3O2)CC1
BondNum,"Please generate a molecule consisting 9 single bonds, 2 double bonds, 1 rotatable bond, and 6 aromatic bonds.",CC1(c2ccccc2F)CC(=O)NC(=O)C1
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amide groups, 1 halo group, and 1 sulfide group.",O=C(NC1CCc2ccccc21)c1ccc(-c2c(C(=O)[O-])c(CCc3ccc(F)cc3)nc3c2C(=O)N2CCCC32)s1
AddComponent,Modify the molecule CCCCCCCC(=O)NCCCCCCNC(=O)CC(O)C(=O)NCCCCCCNC(=O)CCCCCCC by adding a amine.,CCCCCCCC(=O)NCCCCCCNC(=O)CC(O)C(=O)NCCCCCC(N)NC(=O)CCCCCCC
SubComponent,Please substitute a hydroxyl in the molecule CC1CC1N(C(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(C(=O)NC1CCCCC1)c1ccccc1 with a nitrile.,CC1CC1N(C(=O)C(Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C)C(C(=O)NC1CCCCC1)c1ccccc1
DelComponent,Remove a amide from the molecule CCOC(=O)C=CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1.,CCOC(=O)Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
LogP,Please modify the molecule CCOCCNc1nnc(CCCl)o1 to decrease its LogP value.,CCOCCNc1nnc(CC)o1
MR,Please modify the molecule Cc1ccccc1NC(=O)c1ccc(Cl)cc1NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2C)CC1 to decrease its MR value.,Cc1ccccc1NC(=O)c1ccc(O)cc1NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2C)CC1
QED,Please modify the molecule Cc1ccc(C[NH2+]CC(C)C)cc1F to decrease its QED value.,Cc1ccc(C[NH2+]CC(C)C)cc1NO
AtomNum,"There is a molecule with 13 carbon atoms, and 4 oxygen atoms.",CCOC(=O)CC(=O)COc1ccc(C)cc1
BondNum,"The molecule contains 3 single bonds, 1 triple bond, 1 rotatable bond, and 10 aromatic bonds.",Cc1[nH]c2ccccc2c1[Se]C#N
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 1 thioether group, and 1 sulfide group.",CCCC(O)CCC1Cc2ccccc2S1
AddComponent,Add a amine to the molecule CCOC(=Cc1ccc(F)cc1)OC(=O)c1ccccc1.,CCOC(=Cc1ccc(F)cc1N)OC(=O)c1ccccc1
SubComponent,Substitute a halo in the molecule Cc1ccc(-n2nc(CCl)cc2C)cc1Cl with a nitrile.,Cc1ccc(-n2nc(CC#N)cc2C)cc1Cl
DelComponent,Remove a Cn1ccnc1-c1[nH]c(-c2ccncc2)nc1-c1ccc(Cl)cc1 from the molecule halo.,Cn1ccnc1-c1[nH]c(-c2ccncc2)nc1-c1ccccc1
LogP,Please modify the molecule COc1ccc(F)cc1C(C)CC[NH2+]C(C)C to decrease its LogP value.,COc1ccc(C#N)cc1C(C)CC[NH2+]C(C)C
MR,Modify the molecule O=C([O-])Cc1ccc(-c2ccccc2)cn1 to increase its MR value.,O=C([O-])Cc1ccc(-c2ccc(O)cc2)cn1
QED,Modify the molecule CCOC(=O)c1cccc(N(Cc2cccnc2)c2ccc(OC(F)F)c(OC(F)F)c2)c1 to increase its QED value.,CCOC(=O)c1cc(O)cc(N(Cc2cccnc2)c2ccc(OC(F)F)c(OC(F)F)c2)c1
AtomNum,"The molecule is composed of 19 carbon atoms, and 2 oxygen atoms.",CC(=O)OC(C)=C1C(C)=CCC1C(C)=Cc1ccccc1
BondNum,"There is a molecule with 14 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1CCCCC1NC(=O)c1cc(C2CC2)[nH]c(=O)c1
FunctionalGroup,"There is a molecule consisting of 2 halo groups, and 1 sulfone group.",CC1(C)C2CCC13CS(=O)(=O)N1OC13C2(Br)Br
AddComponent,Modify the molecule C=CCN1C(=O)c2cc(C)c(C)cc2C1=O by adding a amine.,C=CCN1C(=O)c2cc(C)c(CN)cc2C1=O
SubComponent,Modify the molecule hydroxyl by substituting a COc1ccc(OCC(O)CNC(=O)c2cc3cc(C)ccc3n2C)cc1 with a thiol.,COc1ccc(OCC(S)CNC(=O)c2cc3cc(C)ccc3n2C)cc1
DelComponent,Remove a hydroxyl from the molecule CCOCC(O)c1ccc2cc(OC)ccc2c1.,CCOCCc1ccc2cc(OC)ccc2c1
LogP,Optimize the molecule Cc1ccccc1C(C(=O)NC(C)C)N(C(=O)C(CS)NC(=O)OC(C)(C)C)C1CC1 to have a lower LogP value.,CC(C)NC(=O)C(C)N(C(=O)C(CS)NC(=O)OC(C)(C)C)C1CC1
MR,Please optimize the molecule COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C to have a higher MR value.,COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C(F)(F)NO)c3)CC2)cc1C
QED,Please optimize the molecule CCNC(=O)C(C(C)C)C1(C(N)=O)CC1 to have a lower QED value.,CCNC(=O)C(C(C)(C)O)C1(C(N)=O)CC1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",NC1=[NH+]OC(=O)C1C(CS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1
BondNum,"Please generate a molecule with 12 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",Nc1ccc(Cl)cc1S(=O)(=O)NCCC1=CCCCC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 2 amide groups.",CCCCCNC(=O)C(c1cc(C)cc(C)c1)N(C(=O)C(C)NC(=O)OC(C)(C)C)C1CCC1
AddComponent,Add a amine to the molecule C[NH+](C)CCNC(=O)C1CCCN(C(=O)NC2CC2)C1.,C[NH+](C)CCNC(=O)C1CN(C(=O)NC2CC2)CCC1N
SubComponent,Substitute a Cc1c(Cl)c(-c2n[nH]c(=S)n2C2CC2)nn1C in the molecule halo with a carboxyl.,Cc1c(C(=O)[OH])c(-c2n[nH]c(=S)n2C2CC2)nn1C
DelComponent,Remove a hydroxyl from the molecule OC(Cn1cnc2ccccc21)c1ccccc1Cl.,Clc1ccccc1CCn1cnc2ccccc21
LogP,Modify the molecule CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1 to have a higher LogP value.,CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1
MR,Please optimize the molecule COCCn1c(-c2c(N)cccc2F)nc2ccccc21 to have a higher MR value.,COCCn1c(-c2c(N)cccc2NO)nc2ccccc21
QED,Modify the molecule CN(C)C(=O)CN1CN(c2ccccc2)C2(CC[NH+](C3CCCCCCCCC3)CC2)C1=O to have a higher QED value.,CN(C)C(=O)CN1CNC2(CC[NH+](C3CCCCCCCCC3)CC2)C1=O
AtomNum,"The molecule has 22 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cc1[nH]c(=O)n(C)c(=O)c1CCc1nnc(SCC(=O)Nc2cccc3ccccc23)o1
BondNum,"There is a molecule consisting of 7 single bonds, 3 rotatable bonds, and 15 aromatic bonds.",Cc1cc(C)n2nc(SCc3[nH+]cc(Cl)n3C)nc2n1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, 2 amine groups, and 1 halo group.",COCC[NH+]=C1NC(=O)C(C)(c2ccc(Cl)cc2)N1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2cccc(Cl)c2Cl)CC1.,Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2cccc(Cl)c2Cl)(c2ccccc2)CC1
SubComponent,Substitute a CC1C[NH+](C)CCC1n1c(=S)[nH]c2cc(F)c(Cl)cc21 in the molecule halo with a nitro.,CC1C[NH+](C)CCC1n1c(=S)[nH]c2cc(NO)c(Cl)cc21
DelComponent,Please remove a hydroxyl from the molecule [NH3+]C(Cc1cccc(O)c1)C(=O)[O-].,[NH3+]C(Cc1ccccc1)C(=O)[O-]
LogP,Please optimize the molecule CC(O)c1ccc(SCc2[nH+]cc(Cl)n2C)cc1 to have a lower LogP value.,CC(O)SCc1[nH+]cc(Cl)n1C
MR,Please optimize the molecule CC(C)c1ccc(OCC(=O)N(Cc2cccc(Cl)c2)C2CCS(=O)(=O)C2)cc1 to have a higher MR value.,CC(=O)c1cccc(CN(C(=O)COc2ccc(C(C)C)cc2)C2CCS(=O)(=O)C2)c1
QED,Please optimize the molecule CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)C=Cc4ccc(O)c(O)c4)CC3)c(F)c2)C(=O)O1 to have a lower QED value.,CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)C(O)=Cc4ccc(O)c(O)c4)CC3)c(F)c2)C(=O)O1
AtomNum,"The molecule is composed of 12 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCS(=O)CCNc1nc(C(C)C)nc(Cl)c1C
BondNum,"Please generate a molecule with 8 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(Cl)c(OCc2ccc(F)c(C(N)=S)c2)c1
FunctionalGroup,"The molecule contains 1 amine group, 1 nitrile group, and 1 sulfone group.",N#Cc1ncccc1S(=O)(=O)NC1CC=CCC1
AddComponent,Add a benzene ring to the molecule CCCC(Cc1cscn1)(C(=O)OCC)C(=O)OCC.,CCOC(=O)C(Cc1cscn1)(CC(C)c1ccccc1)C(=O)OCC
SubComponent,Please substitute a halo in the molecule O=C(C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2ccc(C(=O)N3CCCC3)c(Cl)c2)CC1)Nc1ccc(Cl)c(C(=O)N2CCCCC2)c1 with a nitrile.,N#Cc1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)N4CCCCC4)c3)CC2)ccc1C(=O)N1CCCC1
DelComponent,Remove a CCOC(=O)CCN(CC[NH+](CC)CC)C(=O)COc1cc(C)ccc1C from the molecule benzene ring.,CCOCC(=O)N(CCC(=O)OCC)CC[NH+](CC)CC
LogP,Please optimize the molecule CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCC[N+](C)(C)C to have a lower LogP value.,CC(=O)NCCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCC[N+](C)(C)C
MR,Please modify the molecule COCCCC(=O)NC(CCC(=O)[O-])c1ccccc1 to decrease its MR value.,COCCCC(=O)NCCCC(=O)[O-]
QED,Modify the molecule O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cc(I)c(OCc2cccc(F)c2)c(I)c1 to decrease its QED value.,CC(=O)c1ccc2nc(C3CCCCC3)n(N=Cc3cc(I)c(OCc4cccc(F)c4)c(I)c3)c(=O)c2c1
AtomNum,"The molecule is composed of 21 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COc1ccccc1Cc1cnc(C2CCCN(C(=O)c3ocnc3C)C2)o1
BondNum,"The molecule is composed of 16 single bonds, 11 rotatable bonds, and 5 aromatic bonds.",CCC[NH2+]C(Cc1ncnn1C(C)C)C(CCC)CCC
FunctionalGroup,The molecule has and 1 benzene ring group.,COc1ccc(C)cc1C([NH3+])CCCC(=O)[O-]
AddComponent,Please add a hydroxyl to the molecule Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCc1sccc1-n1cccc1.,Cc1onc(-c2c(Cl)cc(O)cc2Cl)c1C(=O)OCc1sccc1-n1cccc1
SubComponent,Modify the molecule CCC1CCC[NH+]1CC(C)(C)O by substituting a hydroxyl with a aldehyde.,CC(=O)C(C)(C)C[NH+]1CCCC1CC
DelComponent,Remove a COc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cc1OC from the molecule amine.,COc1ccc(-c2nc(C3(c4ccc(-c5cncnc5)cc4)CCC3)no2)cc1OC
LogP,Modify the molecule O=C(Cc1cccc(F)c1)NCCNC(=O)NCc1ccc(N2CCCC2=O)cc1 to have a higher LogP value.,O=C(Cc1cccc(F)c1)NCCNC(=O)NCc1ccc(N2CCCC2=O)c(-c2ccccc2)c1
MR,Please modify the molecule CCOc1ccc(C=CC(=O)Nc2ccc(CC#N)cc2)cc1OCC to increase its MR value.,CC(=O)Cc1ccc(NC(=O)C=Cc2ccc(OCC)c(OCC)c2)cc1
QED,Optimize the molecule COC(=O)C1CCCC12OCCO2 to have a lower QED value.,COC(=O)C1(C(=O)O)CCCC12OCCO2
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",COc1cc(SC)ccc1C(=O)NCCSC(C)(C)C
BondNum,"Please generate a molecule with 15 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1(C)CCCC(Nc2cccc(OC(F)(F)F)c2)C1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 2 amide groups.",Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1C
AddComponent,Add a hydroxyl to the molecule CCCC1CN(C2CCCN(CC)C2)CC[NH2+]1.,CCCC1CN(C2CCCN(CC)C2O)CC[NH2+]1
SubComponent,Substitute a hydroxyl in the molecule CC1CC(=O)CC2CC(CO)=CC12C with a nitro.,CC1CC(=O)CC2CC(CNO)=CC12C
DelComponent,Remove a benzene ring from the molecule COc1cc(OC2OC(COC3OCC(O)(COCc4ccccc4)C3O)C(O)C(O)C2O)cc(OC)c1OC.,COCC1(O)COC(OCC2OC(Oc3cc(OC)c(OC)c(OC)c3)C(O)C(O)C2O)C1O
LogP,Modify the molecule COc1ccc(C(c2ccccc2)C(CO)Oc2ccc(C(C)=O)cc2OC)cc1OC to increase its LogP value.,COc1ccc(C(c2ccccc2)C(CO)Oc2ccc(C(=O)Cc3ccccc3)cc2OC)cc1OC
MR,Please modify the molecule Cc1nc(Cl)c(C=O)c(NCc2cnc[nH]2)n1 to decrease its MR value.,Cc1nc(Cl)c(C=O)c(Cc2cnc[nH]2)n1
QED,Please optimize the molecule NC(=S)CCP(=O)([O-])c1ccccc1 to have a lower QED value.,NC(=S)CC[PH](=O)[O-]
AtomNum,"The molecule has 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 sulfur atoms.",CSC1CCC(N2C(=O)C(C)[NH2+]C2c2ccsc2)C1
BondNum,"Please generate a molecule composed of 11 single bonds, 2 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",Cc1cc(Br)oc1C(=O)NC1(C(=O)[O-])CCC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 3 halo groups.",FC(F)(F)c1cccc(Cc2ccco2)c1
AddComponent,Please add a hydroxyl to the molecule CCc1cc(CCC(=O)[O-])cc(C(C)(C)CC)c1O.,CCc1cc(CCC(=O)[O-])cc(C(C)(CC)CO)c1O
SubComponent,Modify the molecule CCc1ccc(-c2c(C#N)c(N)nc(SC(CC)C(=O)Nc3ccccc3C(N)=O)c2C#N)cc1 by substituting a nitrile with a aldehyde.,CC(=O)c1c(N)nc(SC(CC)C(=O)Nc2ccccc2C(N)=O)c(C#N)c1-c1ccc(CC)cc1
DelComponent,Please remove a benzene ring from the molecule CC(O)(CNC(=O)c1ccc(-n2cccc2)nc1)c1ccc(F)cc1.,CC(O)(F)CNC(=O)c1ccc(-n2cccc2)nc1
LogP,Modify the molecule Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)CCS(=O)(=O)c3ccc(F)cc3)nc12 to have a lower LogP value.,Cc1c(S)ccc2sc(N(Cc3ccccn3)C(=O)CCS(=O)(=O)c3ccc(F)cc3)nc12
MR,Modify the molecule CC[NH2+]C(Cc1ccccn1)c1cc(C)ccc1C to decrease its MR value.,CC[NH2+]C(C)(C)Cc1ccccn1
QED,Optimize the molecule Cc1ccc(-c2nc(C[NH+]3CCCN(S(=O)(=O)c4c(C)noc4C)CC3)cs2)cc1 to have a lower QED value.,Cc1ccc(-c2nc(C[NH+]3CCCN(S(=O)(=O)c4c(C)noc4C)C(O)C3)cs2)cc1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 3 chlorine atoms.",O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2ncccc2Cl)c(F)c1
BondNum,"There is a molecule with 8 single bonds, 5 rotatable bonds, and 15 aromatic bonds.",Cc1nc(CCn2c(CCCl)nc3cccc(C)c32)no1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, and 1 sulfone group.",Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCC([NH3+])C3)cc2)c1C
AddComponent,Please add a hydroxyl to the molecule CCOc1ccc2cc3c(N)c(C(=O)N(c4ccccc4)c4ccccc4)sc3nc2c1.,Nc1c(C(=O)N(c2ccccc2)c2ccccc2)sc2nc3cc(OCCO)ccc3cc12
SubComponent,Modify the molecule halo by substituting a C[NH+](C)CCOc1cccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 with a nitrile.,C[NH+](C)CCOc1cccc(CNC(=O)c2nn(-c3ccc(C#N)cc3)c3c2CCC3)c1
DelComponent,Modify the molecule amine by removing a CCNc1nnc(CCCCCC[NH3+])n1CC.,CCc1nnc(CCCCCC[NH3+])n1CC
LogP,Please optimize the molecule COc1cc(NC2CCC(C)(C)CC2)ccc1F to have a higher LogP value.,COc1cc(NC2CCC(C)(Cc3ccccc3)CC2)ccc1F
MR,Modify the molecule O=c1cc(C(O)(O)O)[nH]n1-c1ccccc1 to have a higher MR value.,CC(=O)C(O)(O)c1cc(=O)n(-c2ccccc2)[nH]1
QED,Optimize the molecule CCCC[Se]C1=C(Sc2ccccc2Cl)COc2ccc(C)cc21 to have a higher QED value.,CCCC[Se]C1=C(Sc2ccccc2C#N)COc2ccc(C)cc21
AtomNum,"There is a molecule with 12 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCCC(C[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1
BondNum,"There is a molecule composed of 9 single bonds, 3 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",CCOC(=O)CCc1cc2c(Cl)nccc2n1S(=O)(=O)c1ccccc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 2 amide groups, and 1 nitrile group.",COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC#N
AddComponent,Modify the molecule CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(I)c(OCc4cccc(Cl)c4)c(I)c3)c(=O)n2C1c1ccc(SC)cc1 by adding a benzene ring.,CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(I)c(OCc4cccc(Cl)c4)c(I)c3)c(=O)n2C1c1ccc(SC)c(-c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a Cc1c(Br)cccc1C(=O)NC1C[NH2+]CCC1C with a nitro.,Cc1c(NO)cccc1C(=O)NC1C[NH2+]CCC1C
DelComponent,Remove a benzene ring from the molecule COCOc1ccc(CC2CN(C)C(NS(=O)(=O)c3ccc(C)cc3)=N2)cc1.,COCOCC1CN(C)C(NS(=O)(=O)c2ccc(C)cc2)=N1
LogP,Please modify the molecule NC(=O)CCC([NH3+])C(=O)NC(CCC[NH+]=C(N)N)C(=O)NCC(=O)NCC(=O)[O-] to increase its LogP value.,CC([NH3+])C(=O)NC(CCC[NH+]=C(N)N)C(=O)NCC(=O)NCC(=O)[O-]
MR,Optimize the molecule COc1ccc(SCN2C(=O)N(C(=O)OC(C)(C)C)C(O)C2(C)C)cc1OC to have a higher MR value.,CC(=O)C1N(C(=O)OC(C)(C)C)C(=O)N(CSc2ccc(OC)c(OC)c2)C1(C)C
QED,Optimize the molecule CCNC(NC1CCN(c2cccs2)CC1)=[NH+]Cc1ccccc1OC to have a lower QED value.,CCNC(NC1CCN(c2cccs2)CC1)=[NH+]COC
AtomNum,"Please generate a molecule with 10 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CN1c2ccccc2-c2[nH]nc(N)c2S1(=O)=O
BondNum,"Please generate a molecule composed of 13 single bonds, 3 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C(=O)NCCS(=O)(=O)NC(C)C)c(OC)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, and 4 halo groups.",COC(=O)C(C)C(c1ccc2c(c1)OC1(CC[NH2+]CC1)C(Cc1cc(Cl)ccc1C(F)(F)F)C2)C1CC1
AddComponent,Please add a benzene ring to the molecule COc1ccccc1CC(CNC(=O)c1sc(C)nc1C)C(=O)[O-].,COc1ccccc1C(c1ccccc1)C(CNC(=O)c1sc(C)nc1C)C(=O)[O-]
SubComponent,Please substitute a hydroxyl in the molecule CC(=O)NC(C)C(=O)Nc1ccc2[nH]c(=O)c(C(=O)N(C(=O)C([NH3+])c3ccc(O)cc3)C3C(=O)N4C(C(=O)[O-])=C(COC(C)=O)CSC34)cc2c1 with a aldehyde.,CC(=O)c1ccc(C([NH3+])C(=O)N(C(=O)c2cc3cc(NC(=O)C(C)NC(C)=O)ccc3[nH]c2=O)C2C(=O)N3C(C(=O)[O-])=C(COC(C)=O)CSC23)cc1
DelComponent,Remove a COC(=O)c1c(F)c(F)c(C(O)C[NH3+])c(F)c1F from the molecule hydroxyl.,COC(=O)c1c(F)c(F)c(CC[NH3+])c(F)c1F
LogP,Please optimize the molecule C=CC(=O)NCOC(=O)CCCCCCCCC to have a higher LogP value.,C=CC(=O)NCOC(=O)CCCCC(CCCC)c1ccccc1
MR,Optimize the molecule O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N=Nc1c(O)[nH]c2ccccc12 to have a higher MR value.,O=C(N=Nc1c(O)[nH]c2ccccc12)C(Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccccc1
QED,Optimize the molecule CNc1nc2sc(CCc3ccc(F)cc3)nc2c2c1ncn2C to have a lower QED value.,CNc1nc2sc(CCc3ccc(F)cc3)nc2c2c1nc(-c1ccccc1)n2C
AtomNum,"There is a molecule composed of 72 carbon atoms, and 6 nitrogen atoms.",Cc1cc(-c2cc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c(C#N)cc2C#N)c(C)cc1-c1cc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c(C#N)cc1C#N
BondNum,"Please generate a molecule composed of 11 single bonds, 1 double bond, 4 rotatable bonds, and 18 aromatic bonds.",O=C(NC1CCCC1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1
FunctionalGroup,There is a molecule composed of and 1 sulfide group.,C#Cc1cccc(C#Cc2ccc(C#Cc3cccc(C#C)n3)s2)n1
AddComponent,Add a benzene ring to the molecule Cc1ncsc1C(C)[NH2+]CC1CCCCS1.,Cc1ncsc1C(C)[NH2+]C(c1ccccc1)C1CCCCS1
SubComponent,Modify the molecule nitrile by substituting a C#CCC(C)Nc1cccc(SC)c1C#N with a nitro.,C#CCC(C)Nc1cccc(SC)c1NO
DelComponent,Please remove a O=P([O-])([O-])C(Nc1ncccn1)P(=O)([O-])[O-] from the molecule amine.,O=P([O-])([O-])C(c1ncccn1)P(=O)([O-])[O-]
LogP,Optimize the molecule CC(Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc(=O)c2c(Cl)cccc2[nH]1 to have a lower LogP value.,CC(Nc1ncnc(N)c1C#Cc1ccc(C(=O)[OH])cn1)c1nc(=O)c2c(Cl)cccc2[nH]1
MR,Please modify the molecule Cc1cc(Cl)ccc1NC1=C(c2ccccc2)C(=O)N(c2ccc(Br)cc2)C1=O to decrease its MR value.,Cc1cc(Cl)ccc1NC1=C(c2ccccc2)C(=O)N(c2ccccc2)C1=O
QED,Optimize the molecule O=C=NCC1(c2ccc(Cl)c(Cl)c2)CCCC1 to have a higher QED value.,N#Cc1ccc(C2(CN=C=O)CCCC2)cc1Cl
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC1(C)CCCC([NH3+])(C2CCOC2)C1
BondNum,"The molecule is composed of 6 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",CC(=O)Nc1ccc(-c2ccc(-c3ccc(C)cc3)s2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfone group.",CC(C)(C(=O)[O-])n1cc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cn1
AddComponent,Modify the molecule CC(=O)CCCC=CCC1C(OC(C)=O)CC(O)C1CCC(O)CCc1ccccc1 by adding a hydroxyl.,CC(=O)OC1CC(O)C(CCC(O)CCc2ccccc2)C1CC=CCCCC(=O)CO
SubComponent,Please substitute a hydroxyl in the molecule ON=C(c1ccc(-c2ccc(C(=NO)C(Cl)Cl)cc2)cc1)C(Cl)Cl with a nitrile.,N#CN=C(c1ccc(-c2ccc(C(=NO)C(Cl)Cl)cc2)cc1)C(Cl)Cl
DelComponent,Modify the molecule CCCCN(C(=O)C(C)CC)C1CCS(=O)(=O)C1 by removing a amide.,CCCC(CC)CC1CCS(=O)(=O)C1
LogP,Modify the molecule CC1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 to increase its LogP value.,CC1CCC(c2ccccc2)CN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1
MR,Optimize the molecule C=C(NN=CC=N)c1ccn2ccnc2c1 to have a lower MR value.,C=C(N=CC=N)c1ccn2ccnc2c1
QED,Please modify the molecule COC(=O)CN(CC(=O)OC)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 to increase its QED value.,COC(=O)CN(CC(=O)OC)C(=O)NC(=O)CCn1ccnc1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 3 fluorine atoms.",CC1Cc2nnc(-c3cccc(C(F)(F)F)c3)cc2C(O)C1
BondNum,"The molecule consists of 11 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",C=CCN1CCN(C(=O)Nc2ccccc2C)c2cccnc21
FunctionalGroup,Please generate a molecule consisting and 1 ketone group.,CCCCc1ccc2c(c1)OCCOCCOc1ccc(C(C)=O)cc1OCCOCCO2
AddComponent,Add a benzene ring to the molecule O=C(NC1CCN(C(=O)C2CCCCC2)C1)C1OCC2COCCC21.,O=C(NC1CCN(C(=O)C2CCCCC2)C1c1ccccc1)C1OCC2COCCC21
SubComponent,Substitute a Cc1ccc(C(=O)N2CCCC(C(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)s3)C2)cc1 in the molecule halo with a nitrile.,Cc1ccc(C(=O)N2CCCC(C(=O)NNC(=O)c3ccc(-c4ccc(C#N)cc4)s3)C2)cc1
DelComponent,Remove a Cc1cn2c(-c3nn(C)c(OC(C)F)c3Br)c(C)cc(C)c2[nH+]1 from the molecule halo.,CCOc1c(Br)c(-c2c(C)cc(C)c3[nH+]c(C)cn23)nn1C
LogP,Modify the molecule Cc1cccc(NC(=O)Nc2ccc(N3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nc2)c1C to decrease its LogP value.,Cc1cccc(NC(=O)Nc2ccc(N3CCCN(C(=O)c4ccc(C(F)(F)NO)cc4)CC3)nc2)c1C
MR,Optimize the molecule C=CCC([NH2+]CCC)c1cc(F)ccc1C(F)(F)F to have a lower MR value.,C=CCC(F)([NH2+]CCC)C(F)(F)F
QED,Modify the molecule Cc1ccc(-c2cccc(C3C=CC=C[NH2+]3)c2)cc1 to decrease its QED value.,Cc1cccc(C2C=CC=C[NH2+]2)c1
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 2 fluorine atoms.",Cc1ncc(O)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1
BondNum,"Please generate a molecule with 12 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)C(O)CNC(=O)c1cccc(C(=O)N(C)C)c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 ketone group, and 2 amide groups.",CC(=O)c1c(C)oc(NC(=O)C(=Cc2ccc(OC(C)C)cc2)c2ccccc2)c1C(N)=O
AddComponent,Add a hydroxyl to the molecule COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1OC.,COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(=O)N3CCCC3)C(O)C2)cc1OC
SubComponent,Substitute a halo in the molecule O=C(NC(=S)Nc1ccc(OCc2ccc(F)cc2Cl)cc1)c1ccccc1 with a aldehyde.,CC(=O)c1ccc(COc2ccc(NC(=S)NC(=O)c3ccccc3)cc2)c(Cl)c1
DelComponent,Remove a Cc1nc(=O)[nH]n1Cc1ccccc1O from the molecule hydroxyl.,Cc1nc(=O)[nH]n1Cc1ccccc1
LogP,Please modify the molecule CCc1nnc(N2CCC(O)CC2)nc1CC to increase its LogP value.,CCc1nnc(N2CCC(S)CC2)nc1CC
MR,Please modify the molecule CCNC(NC1CCN(C(=O)C(C)C)CC1)=[NH+]CC1(O)CCSC1 to decrease its MR value.,CCNC(CC1(O)CCSC1)NC1CCN(C(=O)C(C)C)CC1
QED,Modify the molecule O=C(NCc1cccnc1-c1cccs1)c1ccc(C(F)(F)F)nc1 to increase its QED value.,O=C(NCc1cccnc1-c1cccs1)c1ccc(C(F)F)nc1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",Cc1cc(C)cc(CSCC(CO)[NH2+]C2CC2)c1
BondNum,"There is a molecule composed of 15 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CCc1nc(-c2ccc(N3CCN(C(=O)NC(C)C)CC3)nc2)no1
FunctionalGroup,The molecule consists of and 2 benzene ring groups.,[NH3+]Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1
AddComponent,Modify the molecule C[N+](C)(CCCNC(=O)F)CC(O)CS(=O)(=O)[O-] by adding a nitrile.,C[N+](C)(CC(O)CS(=O)(=O)[O-])CC(C#N)CNC(=O)F
SubComponent,Please substitute a halo in the molecule CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(C#N)c(F)c4)cc3)CC2)CC1 with a nitro.,CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(C#N)c(NO)c4)cc3)CC2)CC1
DelComponent,Modify the molecule COc1cc2c(N)c(Cl)[nH]c2cc1Cl by removing a amine.,COc1cc2cc(Cl)[nH]c2cc1Cl
LogP,Please optimize the molecule CCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12 to have a lower LogP value.,CCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2cc(O)ccc12
MR,Optimize the molecule CC1CCN(C(=O)Nc2cnc3c(c2)CCCC3)C1CO to have a lower MR value.,CC1CCN(C(=O)Nc2cnc3c(c2)CCCC3)C1C
QED,Optimize the molecule O=C(NC(NCCCCc1cnc[nH]1)=[NH+]CCCc1cnc[nH]1)c1ccccc1 to have a lower QED value.,O=C(NC(NCCCCc1cnc(O)[nH]1)=[NH+]CCCc1cnc[nH]1)c1ccccc1
AtomNum,"Please generate a molecule composed of 31 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",Cc1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NCC(C)C)c3)CC2)ccc1Br
BondNum,"The molecule is composed of 11 single bonds, 3 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CCc1ccc(-c2csc(N(CC)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 amide groups, 1 amine group, 1 thioether group, 1 sulfide group, and 1 sulfone group.",O=C1c2ccccc2C(=O)N1CCSc1ccc(NS(=O)(=O)c2ccccc2)cc1
AddComponent,Please add a hydroxyl to the molecule Cc1[nH]ncc1S(=O)(=O)N1CCC(C=O)CC1.,Cc1[nH]ncc1S(=O)(=O)N1CCC(C=O)CC1O
SubComponent,Modify the molecule Cc1ccc(-c2nc(C)c(C(=O)N3C4CCC3CC(O)C4)s2)c(C)c1 by substituting a hydroxyl with a aldehyde.,CC(=O)C1CC2CCC(C1)N2C(=O)c1sc(-c2ccc(C)cc2C)nc1C
DelComponent,Modify the molecule amine by removing a Cc1ncc(N)cc1C(=O)NC1CCC(=O)N(C)C1.,Cc1ncccc1C(=O)NC1CCC(=O)N(C)C1
LogP,Modify the molecule COc1cccc(CCOC(=O)NCCc2ccccc2Cl)c1 to decrease its LogP value.,COc1cc(CCOC(=O)NCCc2ccccc2Cl)ccc1N
MR,Modify the molecule Cc1cc(Nc2cc(C(=O)N3CC[NH+](C)CC3)nc(-c3ccccc3)n2)no1 to decrease its MR value.,Cc1cc(Nc2cC3C[NH+](C)CCn3c(-c3ccccc3)n2)no1
QED,Please optimize the molecule CCCC1(O)CN(C(=O)c2c(C)noc2C)C1 to have a lower QED value.,CCCC1CN(C(=O)c2c(C)noc2C)C1
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 2 fluorine atoms.",CCCCC(C(=O)[O-])[NH+]1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
BondNum,"The molecule contains 15 single bonds, 2 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",CCOC(=O)c1c[nH]c(=O)cc1-c1cnc(C)nc1OCC(C)C(C)c1ccc(OC)cn1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",Cc1cccc(C(O)C(C)OC(N)=O)c1Cl
AddComponent,Modify the molecule CCC(C=CC(C)C1CCC2C3CCC4=C(C)C(=O)CCC4(C)C3CCC12C)C(C)C by adding a benzene ring.,CCC(C=CC(C)C1CCC2C3CCC4=C(C)C(=O)CCC4(C)C3CCC12C)C(C)Cc1ccccc1
SubComponent,Please substitute a halo in the molecule CCCNc1ncc(F)c(NC(C)CCCC(C)C)n1 with a thiol.,CCCNc1ncc(S)c(NC(C)CCCC(C)C)n1
DelComponent,Please remove a CCc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)n[nH]1 from the molecule amide.,CCc1c-n(C2CC[NH+](C3CC3)CC2)[nH]1
LogP,Optimize the molecule c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5ccccc57)cc4)cc3)c3ccc(-c4cc5ccccc5o4)cc3)cc2)cc1 to have a lower LogP value.,c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3)cc2)c2ccc(-c3cc4ccccc4o3)cc2)cc1
MR,Modify the molecule COc1ccc(OC)c(-c2cn3c(CCN(Cc4ccco4)C(=O)c4ccc(C(F)(F)F)cc4)csc3[nH+]2)c1 to decrease its MR value.,COc1ccc(OC)c(-c2cn3c(CCN(Cc4ccco4)C(=O)C(F)(F)F)csc3[nH+]2)c1
QED,Optimize the molecule CS(=O)(=O)Nc1cccc(C(CC#N)n2cc(-c3[nH]cnc4nccc3-4)cn2)c1 to have a higher QED value.,CC(c1cccc(NS(C)(=O)=O)c1)n1cc(-c2[nH]cnc3nccc2-3)cn1
AtomNum,"The molecule contains 28 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",Cc1ccc(-c2sc(N(C)C)nc2C(=O)N2C3CCC(C3)C2CNC(=O)c2cccc3ncsc23)cc1
BondNum,"Please generate a molecule composed of 9 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",O=C(CCC(O)c1ccc(Cl)cc1)NCc1ccncc1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, and 1 sulfone group.",O=C(CCC1CCCN(S(=O)(=O)c2ccccc2)C1)NCCc1ccccc1
AddComponent,Modify the molecule Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)c2ccccc2Br)CC1 by adding a hydroxyl.,O=C(NCCc1c(CO)[nH]c2ccc(F)cc12)C1CCN(C(=O)c2ccccc2Br)CC1
SubComponent,Modify the molecule O=C(NCCCCCO)c1ccccc1Cl by substituting a halo with a hydroxyl.,O=C(NCCCCCO)c1ccccc1O
DelComponent,Modify the molecule halo by removing a FCc1ncc(F)cc1OC(F)(F)F.,FCc1ncc(F)cc1OC(F)F
LogP,Modify the molecule CCCCCCCCCCCCCOC(C)C(S)(CC(=O)OCCCC)C(=O)OCCCC to decrease its LogP value.,CCCCCCCCCCCCCOC(C)C(C#N)(CC(=O)OCCCC)C(=O)OCCCC
MR,Optimize the molecule O=C(NC1C(=O)n2c(nc3ccccc32)C(C(=O)c2ccccc2)C1c1ccc([N+](=O)[O-])cc1)c1ccccc1 to have a higher MR value.,O=C(NC1C(=O)n2c(nc3ccccc32)C(C(=O)c2cccc(O)c2)C1c1ccc([N+](=O)[O-])cc1)c1ccccc1
QED,Please modify the molecule CCC(C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1)c1ccccc1 to decrease its QED value.,CCC(C(=O)Nc1nnc(SCc2cccc(S)c2)s1)c1ccccc1
AtomNum,"There is a molecule consisting of 9 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",O=C([O-])CNC(=O)Nc1cc(Cl)ccc1O
BondNum,"There is a molecule with 6 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cn1nnc(CC(O)c2cccc(F)c2)n1
FunctionalGroup,The molecule is composed of and 1 hydroxyl group.,[NH3+]CCCCP([O-])(O)=S
AddComponent,Please add a hydroxyl to the molecule Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)cc2)cc1C.,Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4C)ncn3)c(O)c2)cc1C
SubComponent,Substitute a halo in the molecule Nc1cc(-c2cc3cccc(F)c3o2)[nH]n1 with a nitro.,Nc1cc(-c2cc3cccc(NO)c3o2)[nH]n1
DelComponent,Please remove a benzene ring from the molecule c1ccc(-c2cc3ccccc3c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc23)cc1.,c1ccc(-c2cc3ccccc3c3ccc(N(c4ccccc4)c4ccc(-c5ccc(Nc6cccc7ccccc67)cc5)cc4)cc23)cc1
LogP,Please modify the molecule Cn1cc(N)cc1C(=O)N(CC1CCOC1)C1CC1 to decrease its LogP value.,Cn1cc(N)cc1C(=O)N(CC1CCOC1)C1CC1O
MR,Please optimize the molecule CCCCC(CC)CN(CC(CC)CCCC)c1ccc(N=Nc2c(C#N)cc(C3CCCCC3)c(C)c2C#N)c(CC)c1 to have a higher MR value.,CCCCC(CC)CN(CC(CC)CCCCO)c1ccc(N=Nc2c(C#N)cc(C3CCCCC3)c(C)c2C#N)c(CC)c1
QED,Please optimize the molecule Cc1cc(NC(C)c2cccc(F)c2)nn1C to have a lower QED value.,Cc1c(O)c(NC(C)c2cccc(F)c2)nn1C
AtomNum,"There is a molecule with 12 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1cccc(-c2nc(C)c(C)o2)c1
BondNum,"Please generate a molecule with 15 single bonds, 3 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",CCCN(CCC)C(=O)C(C)(C)C(=O)Nc1ccc(C(C)=O)cc1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 5 amide groups, and 2 halo groups.",CNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cccc(C(=O)Nc4ccccc4F)c3)CC2)c1
AddComponent,Modify the molecule CC1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C(C[NH3+])C1 by adding a hydroxyl.,CC1CCN(S(=O)(=O)c2cc(F)c(O)cc2Cl)C(C[NH3+])C1
SubComponent,Please substitute a CC1(C)CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CCC1[NH3+] in the molecule halo with a nitrile.,CC1(C)CN(S(=O)(=O)Cc2ccc(C#N)c(Cl)c2)CCC1[NH3+]
DelComponent,Please remove a halo from the molecule [CH]OC(c1ccc(Cl)nc1)C(F)(F)F.,[CH]OC(c1cccnc1)C(F)(F)F
LogP,Optimize the molecule Cn1ccn(Cc2ccccc2)c1=NC(=O)c1ccccc1 to have a lower LogP value.,Cn1ccn(Cc2cccc(O)c2)c1=NC(=O)c1ccccc1
MR,Please modify the molecule CCCOc1cc(NCCC(C)S(C)=O)cc([N+](=O)[O-])c1 to increase its MR value.,CCCOc1cc(NCCC(C)S(C)=O)cc([SH]=O)c1
QED,Optimize the molecule Cc1noc(CSc2ccccc2C(=O)OCc2cccc3ccccc23)n1 to have a higher QED value.,Cc1noc(CSC(=O)OCc2cccc3ccccc23)n1
AtomNum,"There is a molecule composed of 22 carbon atoms, and 5 nitrogen atoms.",CC=CC=CC(=N)C(C)=Nc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1N
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC1(C)C2CC=C(C=Nc3ccc(F)cc3)C1C2
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 hydroxyl group, 1 aldehyde group, 1 thioether group, and 1 sulfide group.",CSc1ccccc1-c1ccc(O)c(C=O)c1
AddComponent,Modify the molecule COC(=O)C(Cc1ccc(C(F)(F)F)cc1)NC(=O)C(C)(c1ccccc1)c1ccccc1 by adding a hydroxyl.,COC(=O)C(Cc1ccc(C(F)(F)F)cc1O)NC(=O)C(C)(c1ccccc1)c1ccccc1
SubComponent,Substitute a COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-c2cc(C)no2)cc1C in the molecule halo with a nitrile.,COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(-c2cc(C)no2)cc1C
DelComponent,Modify the molecule COC(=O)C(COc1ccc(C(F)(F)F)cc1C#N)Oc1ccccc1Cl by removing a nitrile.,COC(=O)C(COc1ccc(C(F)(F)F)cc1)Oc1ccccc1Cl
LogP,Optimize the molecule CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)cc1F to have a lower LogP value.,CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)cc1NO
MR,Optimize the molecule CCNc1cccnc1S(=O)(=O)N(CCOC)C(C)C to have a lower MR value.,CCc1cccnc1S(=O)(=O)N(CCOC)C(C)C
QED,Modify the molecule CCOC(=O)NCCN(CCC(C)C)C(C)=O to decrease its QED value.,CCOC(=O)NC(N)CN(CCC(C)C)C(C)=O
AtomNum,"The molecule consists of 22 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",Cc1ccc(S(=O)(=O)NCc2ccccc2)c(C)c1N(C)S(=O)(=O)c1ccc(Cl)cc1
BondNum,"There is a molecule with 8 single bonds, 3 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",O=C(C=Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1O
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 halo group.",CC(C)[NH2+]CCCC(=O)Nc1cc(Cl)ccn1
AddComponent,Please add a benzene ring to the molecule O=C(COc1ccc2ccccc2c1)N1CCC([NH+]2CCC(Oc3ccncc3)CC2)CC1.,O=C(COc1ccc2ccccc2c1)N1CCC([NH+]2CCC(Oc3ccncc3-c3ccccc3)CC2)CC1
SubComponent,Modify the molecule halo by substituting a CC(C)CN1C(N)=[NH+]CC1c1ccc(F)cc1Cl with a carboxyl.,CC(C)CN1C(N)=[NH+]CC1c1ccc(C(=O)[OH])cc1Cl
DelComponent,Modify the molecule C[NH+](C)CCNC(=O)CC(=O)Nc1cc(Cl)ccc1Cl by removing a amide.,C[NH+](C)CCC(=O)Nc1cc(Cl)ccc1Cl
LogP,Please optimize the molecule Cc1cc2c(cc1N1C(=O)c3cccc4c(C#CC5CCCC5)ccc(c34)C1=O)n(C)c(=O)n2C to have a lower LogP value.,Cc1c(N2C(=O)c3cccc4c(C#CC5CCCC5)ccc(c34)C2=O)cc2c(c1N)n(C)c(=O)n2C
MR,Please modify the molecule CC#CCNS(=O)(=O)c1sc(Cl)nc1C to decrease its MR value.,CC#CCNS(=O)(=O)c1scnc1C
QED,Modify the molecule CC(=O)c1ccccc1NC(=O)C[NH+]1CC2CCC([NH3+])C2C1 to have a higher QED value.,CC(=O)c1ccccc1[NH+]1CC2CCC([NH3+])C2C1
AtomNum,"Please generate a molecule with 19 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCNC(=O)Nc1nc2cc(-c3ccn(CC)c(=O)c3)c(=O)n(C(C)C)c2s1
BondNum,"Please generate a molecule consisting 7 single bonds, and 6 aromatic bonds.",CC1SSc2ccccc2SS1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 3 halo groups.",O=C([O-])Cn1c(-c2ccc(C(F)(F)F)cc2)nc2cccnc21
AddComponent,Add a hydroxyl to the molecule Cc1cc(OC(c2ccc(OC(C)C)cc2)c2nc(-c3cccc(OC(F)(F)F)c3)n[nH]2)ccc1OCC(=O)[O-].,Cc1cc(OC(c2ccc(OC(C)(C)O)cc2)c2nc(-c3cccc(OC(F)(F)F)c3)n[nH]2)ccc1OCC(=O)[O-]
SubComponent,Please substitute a halo in the molecule CC(c1cccc(Cl)c1)[NH+](C)CCNc1cccc(Br)c1 with a nitrile.,CC(c1cccc(C#N)c1)[NH+](C)CCNc1cccc(Br)c1
DelComponent,Please remove a CC(C)C(=O)Nc1ccc(N2CCC3(CC2)OCCO3)cn1 from the molecule amide.,CCc1ccc(N2CCC3(CC2)OCCO3)cn1
LogP,Please modify the molecule COc1c(CCl)ccc(Cl)c1Cl to decrease its LogP value.,COc1c(C(N)Cl)ccc(Cl)c1Cl
MR,Optimize the molecule O=C(Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3ccc(Br)o3)cc2)cc1)c1ccc(Br)o1 to have a lower MR value.,O=C(Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3ccc(Br)o3)cc2)cc1)c1ccco1
QED,Modify the molecule CC(Cc1ccc(Br)cc1)NC(=O)c1csc(N)n1 to decrease its QED value.,CC(Cc1ccc(Br)cc1CC=O)NC(=O)c1csc(N)n1
AtomNum,"The molecule consists of 13 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CN(Cc1nccs1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-]
BondNum,"Please generate a molecule composed of 5 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",C[NH+](C)Cc1cnc(N)s1
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 amide group, and 1 halo group.",CC(Br)C(=O)N(CCCO)C(C)C
AddComponent,Add a benzene ring to the molecule O=C1Nc2cccnc2N(C(=O)NCC[NH+]2CCCCC2CN2CCCCC2)c2ccccc21.,O=C1Nc2cccnc2N(C(=O)NCC[NH+]2CC(c3ccccc3)CCC2CN2CCCCC2)c2ccccc21
SubComponent,Substitute a Nc1ccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)c(Cl)c1 in the molecule halo with a nitro.,Nc1ccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)c(NO)c1
DelComponent,Modify the molecule benzene ring by removing a [NH3+]C1CCCC(C(=O)NCC(c2ccccc2)[NH+]2CCc3sccc3C2)C1.,[NH3+]C1CCCC(C(=O)NCC[NH+]2CCc3sccc3C2)C1
LogP,Please modify the molecule COc1ncccc1C(=O)NCC1(c2ccc(F)cc2)CCCC1 to increase its LogP value.,CC(=O)c1ccc(C2(CNC(=O)c3cccnc3OC)CCCC2)cc1
MR,Modify the molecule CCCCCCCCCCS(=O)(=O)Nc1cccc(-c2nc3c(Cl)c(C(C)(C)C)[nH]n3n2)c1 to have a lower MR value.,CCCCCCCCCCS(=O)(=O)Nc1cccc(-c2nc3cc(C(C)(C)C)[nH]n3n2)c1
QED,Modify the molecule CCC([NH2+]C)c1ccncc1F to decrease its QED value.,CCC([NH2+]C)c1ccncc1
AtomNum,"The molecule has 16 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",NC(=O)c1cccc2c(NCC3=CC(Cl)=CCC3)ncnc12
BondNum,"The molecule contains 11 single bonds, 4 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NC2CCCC2)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ketone group, 1 ester group, and 1 halo group.",Cc1cc(C)c(C(=O)COC(=O)c2ccc(Br)o2)c(C)c1
AddComponent,Modify the molecule CC(C[NH3+])NC(=O)c1ccc(C2SCCS2)cc1 by adding a amine.,CC(C[NH3+])NC(=O)c1ccc(C2SCC(N)S2)cc1
SubComponent,Substitute a hydroxyl in the molecule O=c1[nH]cc(CO)c(=O)n1C1OC(CO)C(O)C(O)C1O with a halo.,O=c1[nH]cc(CF)c(=O)n1C1OC(CO)C(O)C(O)C1O
DelComponent,Remove a CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 from the molecule amide.,CCS(=O)(=O)N(c1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F
LogP,Optimize the molecule CC1CCCN(C(=O)c2ccn(COc3ccc(Br)cc3)n2)C1 to have a lower LogP value.,CC1CCCN(C(=O)c2ccn(COBr)n2)C1
MR,Optimize the molecule CN(C=O)CCCN1c2ccc(OC3CCCCO3)cc2Sc2ccc(Cl)cc21 to have a higher MR value.,CN(C=O)CCCN1c2ccc(OC3OCCCC3O)cc2Sc2ccc(Cl)cc21
QED,Please optimize the molecule CC(=O)NCCN1CC([NH2+]C2CCCC2)CC(C(C)O)C1 to have a lower QED value.,CC(=O)NCCN1CC([NH2+]C2CCCC2)C(O)C(C(C)O)C1
AtomNum,"There is a molecule with 11 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",COCCN(C)c1cccc(Cl)c1C=O
BondNum,"The molecule has 7 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cc1cc(S(=O)(=O)NCCc2cocn2)ccc1F
FunctionalGroup,"The molecule has 1 hydroxyl group, and 4 ester groups.",CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C
AddComponent,Please add a hydroxyl to the molecule CCCNS(=O)(=O)c1ccccc1N(C)CC([NH3+])COC.,CCCNS(=O)(=O)c1ccc(O)cc1N(C)CC([NH3+])COC
SubComponent,Please substitute a halo in the molecule COC(=O)NC(C(=O)N1CCCC1c1[nH]c(-c2cc(F)c3c(c2)OC(c2cc(C)c(C)s2)n2c-3c(Cl)c3cc(Cl)ccc32)c[nH+]1)C1CCOCC1 with a aldehyde.,CC(=O)c1cc(-c2c[nH+]c(C3CCCN3C(=O)C(NC(=O)OC)C3CCOCC3)[nH]2)cc2c1-c1c(Cl)c3cc(Cl)ccc3n1C(c1cc(C)c(C)s1)O2
DelComponent,Please remove a halo from the molecule C[NH2+]C(C(=O)[O-])C(=O)N(C)c1ccc(Cl)s1.,C[NH2+]C(C(=O)[O-])C(=O)N(C)c1cccs1
LogP,Optimize the molecule NC(=O)c1cccc(CNC(=O)C=Cc2c(Cl)cccc2Cl)c1 to have a lower LogP value.,NC(=O)CNC(=O)C=Cc1c(Cl)cccc1Cl
MR,Modify the molecule CCCCc1cc(F)c(C(F)(F)Oc2cc(F)c(C(F)(F)F)c(F)c2)c(F)c1 to have a higher MR value.,CCCCc1cc(O)c(C(F)(F)Oc2cc(F)c(C(F)(F)F)c(F)c2)c(F)c1
QED,Please modify the molecule Cc1cc2[nH]c(NC(Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)nc2cc1F to increase its QED value.,Cc1cc2[nH]c(C(Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)nc2cc1F
AtomNum,"There is a molecule with 14 carbon atoms, 2 nitrogen atoms, and 2 fluorine atoms.",CC([NH3+])Cc1cccn1Cc1ccc(F)cc1F
BondNum,"Please generate a molecule with 98 single bonds, 6 double bonds, and 85 rotatable bonds.",CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 sulfone group.",Cc1ccc(S(=O)(=O)OCCc2cccc(NC(=O)OC(C)(C)C)n2)cc1
AddComponent,Modify the molecule CCc1[nH+]ccn1CCCCC(C)([NH3+])C(N)=O by adding a nitrile.,CCc1[nH+]ccn1CC(C#N)CCC(C)([NH3+])C(N)=O
SubComponent,Modify the molecule halo by substituting a Cc1cccc2c3ccccc3c3noc(-c4ccc(O)cc4Cl)c3c12 with a nitro.,Cc1cccc2c3ccccc3c3noc(-c4ccc(O)cc4NO)c3c12
DelComponent,Modify the molecule CC(=O)c1cc(Cl)cc(C[NH+](C)C2CCOC2C)c1O by removing a hydroxyl.,CC(=O)c1cc(Cl)cc(C[NH+](C)C2CCOC2C)c1
LogP,Modify the molecule N#Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 to have a lower LogP value.,O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1cc(Cl)ccc1C(=O)[OH]
MR,Modify the molecule COC1CC[NH+](Cc2cc(-c3cccnc3)ccc2OCC(=O)[O-])CC1 to have a higher MR value.,COC1CC[NH+](Cc2cc(-c3cccnc3)ccc2OC(C(=O)[O-])c2ccccc2)CC1
QED,Optimize the molecule Cc1n[nH]c(C)c1N1CCN(C(=O)Cc2cccs2)CC1 to have a lower QED value.,Cc1n[nH]c(C)c1N1CCC(c2cccs2)C1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(Nc1ccc(=O)n(C)c1)C1CCOC1
BondNum,"Please generate a molecule composed of 14 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CC[NH+]1CCOC(CNC(=O)Cc2cccc(N)c2)C1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amine groups, and 1 halo group.",CCNC(=NCC(C)[NH+]1CCOCC1)NCCCOc1ccc(F)cc1
AddComponent,Add a benzene ring to the molecule COCCc1nnc(CBr)n1C(C)(C)C.,COCCc1nnc(CBr)n1C(C)(C)Cc1ccccc1
SubComponent,Please substitute a nitrile in the molecule CNC(c1ccc(OC)c(F)c1)C(C#N)C(C)C with a carboxyl.,CNC(c1ccc(OC)c(F)c1)C(C(=O)[OH])C(C)C
DelComponent,Remove a benzene ring from the molecule CN(C)c1ccc(-n2cc3ccccc3n2)cc1.,CN(C)n1cc2ccccc2n1
LogP,Modify the molecule COc1ccc(-c2ccc3nc(COc4cccc(N5CCCC5=O)c4)n(Cc4ccccc4OC(F)F)c3c2)cn1 to have a lower LogP value.,COc1ccc(-c2ccc3nc(COc4cccc(N5CCCC5=O)c4)n(Cc4ccccc4OC(F)C(=O)[OH])c3c2)cn1
MR,Please optimize the molecule COc1cc(C)cc(C)c1C(C)(C)CNC(=O)C#N to have a lower MR value.,COc1cc(C)cc(C)c1C(C)(C)CNC(=O)NO
QED,Modify the molecule COc1cc(C(=O)OC(C)c2ccc(F)cc2)cc(Cl)c1OC to decrease its QED value.,COc1c(Cl)cc(C(=O)OC(C)c2ccc(F)cc2)cc1OCO
AtomNum,"There is a molecule with 32 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCCC4)ccc3Cl)CC2)C(C)C)c(F)c1
BondNum,"Please generate a molecule with 14 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCOc1cc(C=C2SC(=[NH+]C)N(C)C2=O)cc(Cl)c1OC
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",COc1ccc(CC(=O)NC(CC(C)C)C(=O)[O-])cc1
AddComponent,Modify the molecule CSc1nnc(CCCNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1CC(C)C by adding a thiol.,CSc1nnc(CCCNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1CC(C)CS
SubComponent,Please substitute a halo in the molecule CC1CCCC(Cl)(Cl)C1 with a nitro.,CC1CCCC(Cl)(NO)C1
DelComponent,Please remove a hydroxyl from the molecule CCC([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1O.,CCC([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1
LogP,Modify the molecule CCN(CC)C(=O)Cc1ccc(NC(=O)c2c(C)nc(C(C)C)nc2SC)cc1 to have a lower LogP value.,CCN(CC)C(=O)CNC(=O)c1c(C)nc(C(C)C)nc1SC
MR,Please modify the molecule C[NH2+]C(C)(C)c1nncn1C1C2CC3CC(C2)CC1C3 to increase its MR value.,C[NH2+]C(C)(C)c1nncn1C1C2CC3CC1CC(c1ccccc1)(C3)C2
QED,Modify the molecule CNc1cncc(NCC2CCOCC2)c1 to increase its QED value.,CNc1cncc(CC2CCOCC2)c1
AtomNum,"The molecule consists of 20 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 fluorine atom.",CCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3ccccc23)n[nH]1
BondNum,"Please generate a molecule consisting 13 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",COC(=O)CCCCCNC(=O)c1cc(F)c(Cl)cc1F
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 sulfide group.",O=C(Cn1c(=O)oc2ccccc21)NCc1noc(Cc2cccs2)n1
AddComponent,Add a benzene ring to the molecule Cc1cc(C(=O)NCc2nncn2C2CC2)ccc1[N+](=O)[O-].,Cc1cc(C(=O)NCc2nncn2C2CC2)c(-c2ccccc2)cc1[N+](=O)[O-]
SubComponent,Please substitute a CC1(C)C=C(c2ccncc2)c2cc(S(=O)(=O)C(F)(F)F)ccc2O1 in the molecule halo with a nitro.,CC1(C)C=C(c2ccncc2)c2cc(S(=O)(=O)C(F)(F)NO)ccc2O1
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(NC(=O)N2CCCC(c3nnc(C4CCCC4)s3)C2)cc1.,CNC(=O)N1CCCC(c2nnc(C3CCCC3)s2)C1
LogP,Modify the molecule CCOc1ccc(CC(=O)NN=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 to have a higher LogP value.,CCOc1ccc(N=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1
MR,Please optimize the molecule CCSCC(C)n1c(C)c(C)c(C#N)c1N to have a lower MR value.,CCSCC(C)n1c(N)cc(C)c1C
QED,Modify the molecule CNc1cc(NC(C)(C)CCO)nc(SC)n1 to have a higher QED value.,CSc1nc(C)cc(NC(C)(C)CCO)n1
AtomNum,"The molecule is composed of 23 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",Cc1cc(F)ccc1-c1cncc(C(=O)NC(CC(=O)[O-])c2ccccc2C)c1
BondNum,"The molecule consists of 21 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",COc1cc(CCC2CC[NH+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc(OC)c1
FunctionalGroup,The molecule is composed of and 1 ester group.,CCCN(CCC)CC([NH3+])C(=O)OC
AddComponent,Please add a benzene ring to the molecule Cc1ccc2ccccc2c1C(C)(C)C(C=CC1=C(S(=O)(=O)C2=CCCC=C2)C(=CC=C2N(CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)CC1)=NCCCCS(C)(=O)=O.,Cc1ccc2ccccc2c1C(C)(C)C(C=CC1=C(S(=O)(=O)C2=CCCC=C2)C(=CC=C2N(CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)CC1)=NCCCCS(=O)(=O)Cc1ccccc1
SubComponent,Modify the molecule halo by substituting a CC[NH2+]Cc1ccc(N(CC)CC(F)(F)F)cc1 with a carboxyl.,CC[NH2+]Cc1ccc(N(CC)CC(F)(F)C(=O)[OH])cc1
DelComponent,Remove a benzene ring from the molecule COc1ccc(OC)c(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)Nc4ccccc4C)cc3C)CC2)c1.,COc1ccc(OC)c(NC(=O)C2CC[NH+](CC(=O)N(C)C(=O)Nc3ccccc3C)CC2)c1
LogP,Modify the molecule O=C(c1cscc1Br)N1CC2(CC2)C1 to have a lower LogP value.,O=C(c1ccsc1)N1CC2(CC2)C1
MR,Please optimize the molecule Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)CC1 to have a higher MR value.,Cc1ccc(C(=O)NCc2ccc(NO)cc2)cc1NC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)CC1
QED,Modify the molecule CN(C(=O)Cc1ccc(F)cc1F)C(C)(C)CCl to have a lower QED value.,CN(C(=O)Cc1ccc(F)c(CC=O)c1F)C(C)(C)CCl
AtomNum,"The molecule consists of 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 2 fluorine atoms, and 1 chlorine atom.",O=[N+]([O-])c1ccc(CC(O)c2cc(F)c(Cl)cc2F)cc1
BondNum,"Please generate a molecule with 32 single bonds, and 5 rotatable bonds.",CC(C)CCCC(C)C1CCC2C3CCC4CC([NH3+])CCC4(C)C3(C)CCC12C
FunctionalGroup,The molecule is composed of and 1 amide group.,CC(CCCNC(=O)C1CCCCCC1[NH3+])C(=O)[O-]
AddComponent,Modify the molecule CCCN(CCS(=O)(=O)C(C)(C)C)C1COCC1C(=O)[O-] by adding a hydroxyl.,CC(C)(C)S(=O)(=O)CCN(CCCO)C1COCC1C(=O)[O-]
SubComponent,Modify the molecule halo by substituting a CC(Cc1ccc2c(c1)cc(C(=O)[O-])n2Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1)[NH2+]CC(O)c1cccc(Br)c1 with a aldehyde.,CC(=O)C(F)(F)S(=O)(=O)Nc1ccc(Cn2c(C(=O)[O-])cc3cc(CC(C)[NH2+]CC(O)c4cccc(Br)c4)ccc32)cc1
DelComponent,Remove a benzene ring from the molecule Cc1cc(Br)cnc1NS(=O)(=O)c1ccc(CO)cc1.,Cc1cc(Br)cnc1NS(=O)(=O)CO
LogP,Please optimize the molecule COc1ccc(C)cc1NC(=O)c1ncccc1Br to have a higher LogP value.,COc1ccc(C)cc1NC(=O)c1ncc(-c2ccccc2)cc1Br
MR,Please modify the molecule CCN(C(=O)NCC(C)C(=O)[O-])c1cccc(O)c1 to increase its MR value.,CCN(C(=O)NCC(C)C(=O)[O-])c1cccc(S)c1
QED,Modify the molecule CCC(C)C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 to increase its QED value.,CCC(C)C(=O)N1CCN(C(=O)c2ccc(OC)c(O)c2)CC1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, and 1 nitrogen atom.",CCCCC([NH2+]C)C1CCCC(CC)C1
BondNum,"There is a molecule with 8 single bonds, 1 double bond, and 6 aromatic bonds.",CC1CC(=O)Nc2ccc(Br)cc2S1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 nitro group.",C[NH+](Cc1ccccc1[N+](=O)[O-])CC1CC1
AddComponent,Add a benzene ring to the molecule CC1(CNS(=O)(=O)N2CCCCC2C[NH3+])CCCO1.,CC1(CNS(=O)(=O)N2CC(c3ccccc3)CCC2C[NH3+])CCCO1
SubComponent,Please substitute a halo in the molecule CCOC(=O)CN1C(=O)SC(=Cc2ccccc2OCc2ccc(Cl)cc2)C1=O with a nitrile.,CCOC(=O)CN1C(=O)SC(=Cc2ccccc2OCc2ccc(C#N)cc2)C1=O
DelComponent,Modify the molecule CC(C)CC1(CNS(=O)(=O)CCC[NH2+]C2CC2)CCCC1 by removing a amine.,CC(C)CC1(CS(=O)(=O)CCC[NH2+]C2CC2)CCCC1
LogP,Optimize the molecule CC(C)(CNc1ccc(F)c(F)c1)N1CC[NH2+]CC1 to have a lower LogP value.,CC(C)(CNc1ccc(O)c(F)c1)N1CC[NH2+]CC1
MR,Please modify the molecule Fc1cccc(C(Br)Cc2cccc3ccccc23)c1 to decrease its MR value.,FC(Br)Cc1cccc2ccccc12
QED,Optimize the molecule C#CCOc1ccccc1O[CH2] to have a lower QED value.,C#CCOO[CH2]
AtomNum,"There is a molecule composed of 25 carbon atoms, 6 nitrogen atoms, and 2 fluorine atoms.",C=C(C=CC=C(C)C(F)F)c1nc(Nc2ccncc2C(=C)[NH+]2CCCC2)c2cccn2n1
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",CCC1CC2C(=O)N(Cc3cn[nH]c3N)C(=O)C2C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 amine groups.",CCc1c(N)cc2[nH]c(N)c(-c3ccccc3)c2c1C
AddComponent,Modify the molecule C[NH+]=C(NCCc1ccc(F)cc1C)NCc1ccc(N2CCCC2=O)cc1 by adding a carboxyl.,C[NH+]=C(NCCc1ccc(F)cc1C)NCc1ccc(N2CCCC2=O)cc1C(=O)O
SubComponent,Please substitute a halo in the molecule O=C1c2cnc3n[nH]c(-c4ccncc4)c3c2C(=O)N1c1ccccc1Cl with a nitro.,ONc1ccccc1N1C(=O)c2cnc3n[nH]c(-c4ccncc4)c3c2C1=O
DelComponent,Please remove a CN(C)c1ccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cn1 from the molecule halo.,CN(C)c1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)cn1
LogP,Please optimize the molecule CCCOc1ccc(CCC(=O)N2C3CCC2CC(Oc2cccnc2)C3)cc1 to have a higher LogP value.,CCCOc1ccc(C2C3CCC2CC(Oc2cccnc2)C3)cc1
MR,Modify the molecule Nc1cc[nH+]c(NCCn2cccn2)c1 to increase its MR value.,Nc1cc[nH+]c(NCC(c2ccccc2)n2cccn2)c1
QED,Please optimize the molecule CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1OCC to have a lower QED value.,CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1OCCc1ccccc1
AtomNum,"There is a molecule consisting of 26 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COc1cccc(C2C(=C([O-])c3ccc4c(c3)CCO4)C(=O)C(=O)N2Cc2ccncc2)c1
BondNum,"Please generate a molecule consisting 11 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",COC(=O)C1CCC(C)(c2ccccc2)CC1=O
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 2 amide groups, 1 thioether group, 1 sulfide group, and 1 sulfone group.",CSc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1
AddComponent,Add a hydroxyl to the molecule Cc1c(Cl)ccc2sncc12.,Cc1c(Cl)ccc2snc(O)c12
SubComponent,Substitute a halo in the molecule CCOc1c2c(c3n(c1=O)CCCCN(CCOS(C)(=O)=O)C3=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O with a hydroxyl.,CCOc1c2c(c3n(c1=O)CCCCN(CCOS(C)(=O)=O)C3=O)CCN(Cc1ccc(O)c(Cl)c1)C2=O
DelComponent,Modify the molecule halo by removing a FC(F)(F)c1cc(Br)cnc1NCC[NH+]1CCCCC1.,FC(F)(F)c1cccnc1NCC[NH+]1CCCCC1
LogP,Modify the molecule CC(C)c1ccc(C(C)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 to have a higher LogP value.,CCN(C(=O)CCC(=O)NC(C)c1ccc(C(C)C)cc1)c1ccccc1
MR,Please modify the molecule CNS(=O)(=O)c1cc(N)ccc1Oc1ccc(Cl)c(C)c1 to decrease its MR value.,CNS(=O)(=O)c1cc(N)ccc1Oc1ccc(C#N)c(C)c1
QED,Modify the molecule O=c1cncc(Br)n1CC(F)F to decrease its QED value.,O=c1cncc(Br)n1CCF
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",Cc1ccc(-c2nnc(SC(C)C(=O)N3CCc4sccc4C3)o2)cc1
BondNum,"The molecule contains 16 single bonds, 2 double bonds, 1 rotatable bond, and 5 aromatic bonds.",Cc1nc2n(c1C(=O)[O-])CCN(C(=O)OC(C)(C)C)C2(C)C
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 2 amide groups, and 3 halo groups.",CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC
AddComponent,Add a aldehyde to the molecule CCC(CC)c1nnc(NC(=O)N2CC3CCC(O)C3C2)s1.,CCC(CCCC=O)c1nnc(NC(=O)N2CC3CCC(O)C3C2)s1
SubComponent,Modify the molecule hydroxyl by substituting a CCOc1cc(C[NH2+]CCCC(C)C)ccc1O with a halo.,CCOc1cc(C[NH2+]CCCC(C)C)ccc1Cl
DelComponent,Modify the molecule Cc1cc(Br)ccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)NC1=S by removing a halo.,Cc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)NC1=S
LogP,Please modify the molecule CC(C)=CCC(=O)C1(O)C([O-])=C(C(=O)C(C)C)C(=O)C1CCC(C)C to decrease its LogP value.,CC(C)=C(O)CC(=O)C1(O)C([O-])=C(C(=O)C(C)C)C(=O)C1CCC(C)C
MR,Please modify the molecule CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Br to decrease its MR value.,CC(C)NS(=O)(=O)c1ccccc1Nc1nc(O)ncc1Br
QED,Modify the molecule ClCc1cn(CCc2ccncc2)nn1 to have a higher QED value.,OCc1cn(CCc2ccncc2)nn1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 5 oxygen atoms, and 1 sulfur atom.",COc1ccc(C=C2OC(=O)OC2C(O)c2cccs2)cc1
BondNum,"The molecule contains 16 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",NC(=[NH2+])c1cccnc1N1CCC([NH+]2CCCCC2)CC1
FunctionalGroup,There is a molecule with and 1 benzene ring group.,c1ccc(-c2cccc3conc23)cc1
AddComponent,Add a hydroxyl to the molecule CC[NH+](CC)CCn1ccc2cc(NC(=O)Cc3nc4nc(C)cc(C)n4n3)ccc21.,CC[NH+](CC)CCn1ccc2cc(NC(=O)Cc3nc4nc(C)cc(C)n4n3)cc(O)c21
SubComponent,Please substitute a O=[N+]([O-])c1cc(I)c(F)cc1Oc1cc(F)cc(Br)c1 in the molecule halo with a thiol.,O=[N+]([O-])c1cc(S)c(F)cc1Oc1cc(F)cc(Br)c1
DelComponent,Please remove a O=C(NCCc1nnc2n1CCCCC2)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1 from the molecule halo.,O=C(NCCc1nnc2n1CCCCC2)c1cccc(S(=O)(=O)NCC2CCCO2)c1
LogP,Modify the molecule O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 to have a lower LogP value.,CC(=O)c1cccc(CN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1
MR,Please optimize the molecule Cn1ncnc1COc1ccc(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)cc1 to have a lower MR value.,Cn1ncnc1COS(=O)(=O)N1CCC(C)(C(=O)[O-])C1
QED,Please optimize the molecule CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCCN(C(=O)NC(C)C)CC1 to have a lower QED value.,CC1=C(c2ccc(S)cc2)S(=O)(=O)N=C1N1CCCN(C(=O)NC(C)C)CC1
AtomNum,"The molecule has 14 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCc1ccc(C(=O)C(C)(CC)C[NH3+])cc1
BondNum,"Please generate a molecule consisting 19 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C(=O)OC(C)C(=O)N(C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, 2 halo groups, and 1 nitrile group.",N#CC(NC1CCCCCC1)c1c(F)cccc1Cl
AddComponent,Modify the molecule O=C(NCCCN1CC[NH2+]CC1)c1ccc(Cl)s1 by adding a benzene ring.,O=C(NCCC(c1ccccc1)N1CC[NH2+]CC1)c1ccc(Cl)s1
SubComponent,Modify the molecule COc1ccc(S(=O)(=O)NC(C)c2ccc(Br)cc2)cc1Cl by substituting a halo with a thiol.,COc1ccc(S(=O)(=O)NC(C)c2ccc(S)cc2)cc1Cl
DelComponent,Modify the molecule amine by removing a O=C1CCCC2(CCNN2)C1.,O=C1CCCC2(CCN2)C1
LogP,Modify the molecule O=C([O-])Cn1cnc2c(Cl)nc(I)nc21 to have a lower LogP value.,O=C([O-])Cn1cnc2c(O)nc(I)nc21
MR,Modify the molecule CCc1nnc2n1CC[NH+](C(C(=O)NC1CC1)c1ccccc1)C2 to decrease its MR value.,CCc1nnc2n1CC[NH+](CC(=O)NC1CC1)C2
QED,Modify the molecule CCc1nnc2n1CC(C1CCCCC1)c1cnn(-c3ccccc3Cl)c1-2 to have a higher QED value.,CCc1nnc2n1CC(C1CCCCC1)c1cnn(Cl)c1-2
AtomNum,"The molecule consists of 15 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",COC1CCC(N2C(=O)C(C(C)C)[NH2+]C2C(C)C)C1
BondNum,"There is a molecule consisting of 11 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",c1cc2c(cc1CC1C[NH2+]C1)CCCO2
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 sulfoxide group.",CC(C)(C)OC(=O)NC(CCS(=O)Cc1ccccc1)C(=O)[O-]
AddComponent,Modify the molecule CC(c1ccc(Br)cc1)n1c(=S)[nH]c2cc(I)ccc21 by adding a hydroxyl.,CC(c1ccc(Br)cc1)n1c(=S)[nH]c2c(O)c(I)ccc21
SubComponent,Substitute a hydroxyl in the molecule COc1cc(C(=O)OCCCCON([O-])[O-])ccc1OC(=O)OCC(=O)C1(OC(=O)CCCON([O-])[O-])C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C with a nitrile.,COc1cc(C(=O)OCCCCON([O-])[O-])ccc1OC(=O)OCC(=O)C1(OC(=O)CCCON([O-])[O-])C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(C#N)CC21C
DelComponent,Please remove a amide from the molecule COc1ccc(CC(=O)OCC(=O)N2CCOC2=O)cc1OC.,COc1ccc(CC(=O)OC2COC2=O)cc1OC
LogP,Modify the molecule O=C([O-])c1cc(CSC2COC2)ccc1F to decrease its LogP value.,N#CC1OCC1SCc1ccc(F)c(C(=O)[O-])c1
MR,Modify the molecule COCCNC(=O)COc1ccc2ccccc2c1 to decrease its MR value.,COCCOc1ccc2ccccc2c1
QED,Optimize the molecule NS(=O)(=O)Cc1ccc(NC(=O)c2cccc(F)c2)cc1 to have a lower QED value.,CC(=O)c1cccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)c1
AtomNum,"The molecule has 11 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",CC(CO)c1cc(Cl)ccc1CC[NH3+]
BondNum,"Please generate a molecule composed of 18 single bonds, 2 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)NC(NC(=O)OCC)c1ccc(OC)c(OCC(C)C)c1
FunctionalGroup,Please generate a molecule consisting and 2 amide groups.,CCCC(=O)N1CCCC(C(=O)NCC(C)[NH2+]C)C1
AddComponent,Please add a aldehyde to the molecule CCCCCCCCCCCCCCCCCNC(N)=S.,CCCC(CC=O)CCCCCCCCCCCCCNC(N)=S
SubComponent,Modify the molecule halo by substituting a CCC(Cl)C[NH2+]CCC(C)(C)C with a nitrile.,CCC(C#N)C[NH2+]CCC(C)(C)C
DelComponent,Modify the molecule benzene ring by removing a C[NH2+]C1CCc2c1cn(Cc1cccc(OC)c1)c2-c1ccccc1F.,C[NH2+]C1CCc2c1cn(COC)c2-c1ccccc1F
LogP,Modify the molecule C=CCNC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1 to have a lower LogP value.,C=CCNC(=O)c1coc(-c2ccc(C(=O)[OH])c(Cl)c2)n1
MR,Modify the molecule CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cc(C)nc4c3c(=O)[nH]n4C)cc2)c1C to decrease its MR value.,CCOC(=O)c1cnn(NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)c1C
QED,Modify the molecule COC(C)C1=C(C(=O)[O-])C(c2ccccc2C(F)(F)F)C(C(=O)COC(=O)C(C)(C)C)=C(C(C)OC)N1 to decrease its QED value.,COC(C)C1=C(C(=O)[O-])C(c2ccccc2C(F)F)C(C(=O)COC(=O)C(C)(C)C)=C(C(C)OC)N1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, 1 sulfur atom, 4 fluorine atoms, and 1 chlorine atom.",Cc1sc(NC(=O)c2ccc(Nc3cc(Cl)ncn3)cc2)nc1-c1cccc(C(F)(F)F)c1F
BondNum,"There is a molecule consisting of 16 single bonds, 3 double bonds, 9 rotatable bonds, and 17 aromatic bonds.",CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C)C2=O)cc1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 1 amine group, 1 halo group, and 1 sulfide group.",O=C1SC(=CC=Cc2ccccc2)C(=O)N1CNc1ccccc1Br
AddComponent,Please add a hydroxyl to the molecule CCOC(=O)N1CCN(C(=O)c2csc(CSc3nnc(-c4cccc(OC)c4)n3-c3ccccc3)n2)CC1.,CCOC(=O)N1CCN(C(=O)c2csc(CSc3nnc(-c4cccc(OC)c4)n3-c3ccccc3)n2)CC1O
SubComponent,Modify the molecule halo by substituting a Cc1nc(CCN(C(=O)[O-])c2ccc(NC(=O)c3ccccc3-c3ccc(Cl)cc3)cc2)cs1 with a aldehyde.,CC(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(N(CCc3csc(C)n3)C(=O)[O-])cc2)cc1
DelComponent,Modify the molecule amide by removing a CC1CC1C(=O)NN=Cc1ccccn1.,CCCN=Cc1ccccn1
LogP,Modify the molecule CC(NC(=O)C[NH+]1CCCC1C(C)(C)O)c1cccs1 to increase its LogP value.,CC(c1cccs1)[NH+]1CCCC1C(C)(C)O
MR,Optimize the molecule COc1ccc(-c2cc(Nc3ccc(Oc4ccnc(C(N)=O)c4)cc3)nc(N)n2)cn1 to have a lower MR value.,COc1ccc(-c2cc(Nc3ccc(Oc4ccnc(C(N)=O)c4)cc3)ncn2)cn1
QED,Please optimize the molecule [C-]#[N+]c1ccc(NC(=O)C2(C(F)(F)F)CC(C(=O)OCC)=NN2)cc1C(F)(F)F to have a lower QED value.,[C-]#[N+]c1ccc(NC(=O)C2(C(F)(F)NO)CC(C(=O)OCC)=NN2)cc1C(F)(F)F
AtomNum,"The molecule has 14 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COC(=O)C(CC(C)C)NC(=O)CC1CCC[NH2+]C1
BondNum,"There is a molecule consisting of 11 single bonds, 1 double bond, 7 rotatable bonds, and 5 aromatic bonds.",CCCCOC(=O)Cn1ccc(C([NH3+])CC)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 hydroxyl group.",CN(C)c1ccc(O)c(C(=O)[O-])c1
AddComponent,Add a carboxyl to the molecule Cc1nc(C[NH+](CC2CC[NH2+]CC2)C(C)C)oc1C.,Cc1nc(C[NH+](CC2CC[NH2+]CC2)C(C)(C)C(=O)O)oc1C
SubComponent,Please substitute a halo in the molecule Fc1cc(F)c(NC2CCc3c(Br)cccc32)cc1F with a nitro.,ONc1cc(F)c(NC2CCc3c(Br)cccc32)cc1F
DelComponent,Remove a halo from the molecule CCCC[NH+](CC(=O)[O-])CC(=S)c1cccc2c(Br)cccc12.,CCCC[NH+](CC(=O)[O-])CC(=S)c1cccc2ccccc12
LogP,Please optimize the molecule CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3)CC2)cc1 to have a lower LogP value.,CCc1ccc(C(=O)N2CCN(NC(=O)c3cc(Cl)cc(Cl)c3OC)CC2)cc1
MR,Please modify the molecule C=NC(=CC=C(C)Nc1nc(NC(C)C)nc(-c2ccccc2)n1)OC(C)C to decrease its MR value.,C=NC(=CC=C(C)c1nc(NC(C)C)nc(-c2ccccc2)n1)OC(C)C
QED,Modify the molecule CC(C)(C)NC(=O)C([NH3+])C(O)CCc1ccccc1 to have a higher QED value.,CC(C)(C)NC(=O)C([NH3+])C(O)CCc1ccccc1-c1ccccc1
AtomNum,"There is a molecule with 18 carbon atoms, and 2 iodine atoms.",Ic1ccc2c3c(c4c(c2c1)C=CCC4)CC(I)C=C3
BondNum,"There is a molecule with 46 single bonds, 6 double bonds, 22 rotatable bonds, and 24 aromatic bonds.",C=CCOC12Oc3ccc(OC(=O)Nc4ccc(OC)cc4OC)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOCC)CC1N(Cc1ccc(F)cc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)C32
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfone group.",NS(=O)(=O)c1ccc(C2C[NH2+]CCc3c2cc2c(c3Cl)OOC2)cc1
AddComponent,Please add a hydroxyl to the molecule CCCCCCCCCCCCc1cc2c(C)cc(-c3ccccc3)[o+]c2cc1O.,CCCCCCCC(O)CCCCc1cc2c(C)cc(-c3ccccc3)[o+]c2cc1O
SubComponent,Modify the molecule halo by substituting a Brc1cc(-c2ccn[nH]2)ccn1 with a aldehyde.,CC(=O)c1cc(-c2ccn[nH]2)ccn1
DelComponent,Remove a COc1ccc(C2C[NH2+]Cc3sccc32)cc1C from the molecule benzene ring.,COC1(C)C[NH2+]Cc2sccc21
LogP,Please modify the molecule O=C(NCCOCCO)Nc1ccc(F)c(F)c1F to decrease its LogP value.,O=C(NCCOCCO)Nc1ccc(O)c(F)c1F
MR,Optimize the molecule CC(C)(C)C(=O)NCCCC(=O)NCC1CCCCC1O to have a lower MR value.,CC(C)(C)C(=O)NCCCC(=O)NCC1CCCCC1
QED,Optimize the molecule Cc1cc(N2CC(NC(=O)Oc3ccc(Br)s3)C(Cc3ccccc3)C2=O)ccc1N1CCOCC1=O to have a lower QED value.,Cc1cc(N2CC(NC(=O)Oc3ccc(NO)s3)C(Cc3ccccc3)C2=O)ccc1N1CCOCC1=O
AtomNum,"The molecule has 12 carbon atoms, and 3 nitrogen atoms.",CC(C)C1[NH2+]NC(N)C1c1ccccc1
BondNum,"The molecule contains 10 single bonds, 1 triple bond, 1 rotatable bond, and 11 aromatic bonds.",CC(C)(C)c1cn(-c2ncccc2C#N)nc1C(F)(F)F
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 3 amide groups.",CC(NC(=O)C(CC(=O)[O-])NC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)[O-]
AddComponent,Modify the molecule O=C(NCc1ccc(Cl)cc1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 by adding a aldehyde.,O=CCC(NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1)c1ccc(Cl)cc1
SubComponent,Substitute a halo in the molecule Fc1cc(F)c(C(Br)c2cc(F)ccc2F)c(F)c1 with a nitro.,ONc1cc(F)c(C(Br)c2cc(F)ccc2F)c(F)c1
DelComponent,Modify the molecule CC[NH+]1CCc2c(sc(-n3cccc3)c2CO)C1 by removing a hydroxyl.,CC[NH+]1CCc2c(sc(-n3cccc3)c2C)C1
LogP,Modify the molecule OCC1COCC[NH+]1CCCOc1ccc(F)cc1 to decrease its LogP value.,OCC1COCC[NH+]1CCCOc1ccccc1
MR,Modify the molecule CCc1nn(CC2CCCCC2)c(CC)c1S(N)(=O)=O to have a lower MR value.,CCc1nn(CC2CCCCC2)c(CC)c1[SH](=O)=O
QED,Modify the molecule OCCC1(C[NH2+]Cc2coc(-c3ccccc3)n2)CCCCC1 to decrease its QED value.,OCCC1(C[NH2+]Cc2cocn2)CCCCC1
AtomNum,"The molecule consists of 13 carbon atoms, 2 oxygen atoms, and 1 fluorine atom.",Oc1ccccc1OCc1cccc(F)c1
BondNum,"The molecule has 10 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",C=C(C)OC(=O)CC(O)COc1cccc2ccc(C)nc12
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 halo group, and 1 sulfone group.",CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
AddComponent,Modify the molecule C[NH+]=C(NCCCOCCOC)N1CCN(c2ccccc2OC)CC1 by adding a benzene ring.,C[NH+]=C(NCCCOCCOC)N1CCN(c2ccccc2OC)CC1c1ccccc1
SubComponent,Modify the molecule COc1ccc(CC(Br)C(C)(C)OC)cc1 by substituting a halo with a aldehyde.,CC(=O)C(Cc1ccc(OC)cc1)C(C)(C)OC
DelComponent,Please remove a nitrile from the molecule Cc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1O.,Cc1ccc(C(=O)NCc2ccccc2)cc1O
LogP,Optimize the molecule N#Cc1ccnc(Nc2nc(C3CC3)c(C3CC[NH+](C4COC4)CC3)s2)c1 to have a higher LogP value.,c1ccc(Nc2nc(C3CC3)c(C3CC[NH+](C4COC4)CC3)s2)nc1
MR,Please modify the molecule CCCC1(C(=O)NC2CCCCC2C(F)(F)F)CC[NH2+]C1 to decrease its MR value.,CCC1CC[NH2+]C1C1CCCCC1C(F)(F)F
QED,Please modify the molecule CC(C)(CNc1ccc(C#N)c(N)c1)S(C)(=O)=O to decrease its QED value.,CC(C)(CNc1cc(N)c(C#N)cc1CC=O)S(C)(=O)=O
AtomNum,"There is a molecule composed of 25 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 chlorine atoms.",Cc1ccccc1-n1nccc1-c1cc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c(O)cc1O
BondNum,"The molecule has 8 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",CCC(C)n1c(SCc2ccccc2)nc2cc(C)[nH]c2c1=O
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ketone group, and 1 amide group.",Cc1ccccc1NC(=O)C(=O)c1c(C)[nH]c2ccccc12
AddComponent,Add a amine to the molecule O=C(C1=COCCC1)C1CC(F)(F)C1.,NC1CCC(C(=O)C2CC(F)(F)C2)=CO1
SubComponent,Please substitute a halo in the molecule FC(F)(F)SNc1ccccc1 with a hydroxyl.,OC(F)(F)SNc1ccccc1
DelComponent,Remove a COC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2c(F)c(O)c(C(N)=[NH2+])c(F)c2F)c1 from the molecule halo.,COC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2cc(F)c(C(N)=[NH2+])c(O)c2F)c1
LogP,Optimize the molecule CCN(CC)c1nc(NC)nc(NC(CC)(CC)CO)n1 to have a higher LogP value.,CCN(CC)c1nc(C)nc(NC(CC)(CC)CO)n1
MR,Please optimize the molecule OCC(Cc1c[nH]c2ccccc12)Nc1ccccn1 to have a lower MR value.,CC(Cc1c[nH]c2ccccc12)Nc1ccccn1
QED,Please optimize the molecule O=C(OCc1ccccc1)S(=O)(=O)C1CC(CCc2n[nH]c(=O)o2)Cc2ccccc21 to have a lower QED value.,Nc1ccc2c(c1)C(S(=O)(=O)C(=O)OCc1ccccc1)CC(CCc1n[nH]c(=O)o1)C2
AtomNum,"The molecule contains 20 carbon atoms, 3 oxygen atoms, and 1 fluorine atom.",Cc1c2c(c(CO)c3ccccc13)C(O)C(O)c1c(F)cccc1-2
BondNum,"The molecule is composed of 21 single bonds, 3 double bonds, and 8 rotatable bonds.",CCNC(NC1CCCC(SCC)C1)=[NH+]CC(C)(C)NS(C)(=O)=O
FunctionalGroup,The molecule contains and 1 benzene ring group.,CCc1ccccc1OCNC(=O)NC(CC(C)C)C(=O)[O-]
AddComponent,Add a carboxyl to the molecule Cc1ccc(CCNC(=O)CCl)cc1C.,Cc1ccc(CCNC(=O)CCl)c(C(=O)O)c1C
SubComponent,Substitute a halo in the molecule Cc1ccc(Oc2cccc(Cl)c2C(N)=O)c(Br)c1 with a aldehyde.,CC(=O)c1cccc(Oc2ccc(C)cc2Br)c1C(N)=O
DelComponent,Modify the molecule CC(C)[NH+](CCCO)CC(=O)Nc1ccc2c(c1)OCO2 by removing a amide.,CC(C)[NH+](CCCO)c1ccc2c(c1)OCO2
LogP,Please modify the molecule Cc1no[n+]([O-])c1C(=O)Cl to decrease its LogP value.,Cc1no[n+]([O-])c1C(=O)S
MR,Modify the molecule Cc1ccc(CN(C)C(=O)C2CC[NH2+]C(C)C2)s1 to have a lower MR value.,Cc1ccc(C(C)C2C[NH2+]C(C)C2)s1
QED,Modify the molecule CCOc1ccccc1N(C)CC(O)C[NH+]1CCOCC1 to decrease its QED value.,CCOc1ccccc1N(C)CC(C[NH+]1CCOCC1)NO
AtomNum,"Please generate a molecule with 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",N#Cc1ccc(F)cc1C[NH+]1CCN(CCO)CC1
BondNum,"There is a molecule consisting of 10 single bonds, 3 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)cc1
FunctionalGroup,There is a molecule consisting of and 1 amide group.,CCOCCCN(CC(C)C(=O)[O-])C(=O)c1cnc2cc(C)nn2c1C
AddComponent,Please add a aldehyde to the molecule CCOc1cccc2cc(C=O)c(N3CCC(C)CC3)nc12.,CC1CCN(c2nc3c(OCCCC=O)cccc3cc2C=O)CC1
SubComponent,Please substitute a halo in the molecule O=C(C1CC1c1ccccc1C(F)(F)F)N1CCC(c2c[nH]c3ccccc23)CC1 with a carboxyl.,O=C(C1CC1c1ccccc1C(F)(F)C(=O)[OH])N1CCC(c2c[nH]c3ccccc23)CC1
DelComponent,Please remove a halo from the molecule CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CC(=O)NC(C)(C)C(=O)[O-])S(C)(=O)=O)c(C3CC3)cc12.,CNC(=O)c1c(-c2ccccc2)oc2cc(N(CC(=O)NC(C)(C)C(=O)[O-])S(C)(=O)=O)c(C3CC3)cc12
LogP,Optimize the molecule Cc1ncc(C(=O)Nc2cccc(C)c2C)c(N)n1 to have a lower LogP value.,Cc1nc-c(N)(-c2cccc(C)c2C)n1
MR,Please modify the molecule Cc1[nH]c(C(=O)NC2CC[NH+](C3CC(C(=O)[O-])N(C(=O)[O-])C3)CC2)c(Cl)c1Cl to increase its MR value.,Cc1[nH]c(C(=O)NC2CC[NH+](C3CC(C(=O)[O-])N(C(=O)[O-])C3)CC2)c(NO)c1Cl
QED,Please optimize the molecule COc1cc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)cc(OC)c1OC to have a lower QED value.,COc1cc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)cc(OC)c1OCC(=O)O
AtomNum,"The molecule has 21 carbon atoms, 2 oxygen atoms, and 1 iodine atom.",O=C(OC(=C(I)c1ccccc1)c1ccccc1)c1ccccc1
BondNum,"Please generate a molecule with 3 single bonds, 2 double bonds, 2 rotatable bonds, and 11 aromatic bonds.",C=CCc1c(N)c(=O)[nH]c2ccccc12
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ester group, 1 amide group, 1 amine group, and 1 sulfone group.",CC(C)c1c(C(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cnn1-c1ccccn1
AddComponent,Modify the molecule CS(=O)(=O)CCOC1CNc2ccccc2C1 by adding a carboxyl.,CS(=O)(=O)CCOC1CNc2cc(C(=O)O)ccc2C1
SubComponent,Substitute a CC(C)SCc1c[nH]c2ccc(Br)cc12 in the molecule halo with a hydroxyl.,CC(C)SCc1c[nH]c2ccc(O)cc12
DelComponent,Please remove a benzene ring from the molecule CCC(C)(C)CC(C)COC(=O)CCc1cc(C)c(O)c(C)c1.,CCOCCC(=O)OCC(C)CC(C)(C)CC
LogP,Please modify the molecule COc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1ccccc1Cl to decrease its LogP value.,COc1cc(C=C(C#N)C(=O)Nc2c(C)cc(O)cc2C)ccc1OCC(=O)Nc1ccccc1Cl
MR,Modify the molecule CC(=O)Nc1ccc(C2SCCC(=O)N2CC2CC2)cc1 to have a lower MR value.,O=C1CCSC(c2ccccc2)N1CC1CC1
QED,Modify the molecule O=C(CC(=O)N1[NH+]=C(N2CCCCC2)CC1c1ccccc1)Nc1ccc(Cl)cc1 to decrease its QED value.,O=C(CC(=O)N1[NH+]=C(N2CCCCC2)CC1c1ccccc1)Nc1ccc(Cl)c(O)c1
AtomNum,"There is a molecule with 11 carbon atoms, 2 nitrogen atoms, and 1 bromine atom.",CC(Br)C(C)c1ccc(N(C)C)nc1
BondNum,"The molecule consists of 6 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",CC(C)Nc1cc(-c2c[nH+]c(N)[nH]2)ccn1
FunctionalGroup,"The molecule consists of 3 hydroxyl groups, and 3 amine groups.",Nc1nc(=O)c2c([nH]1)NCC(C(PPPP)N1C=[NH+]c3c(ncn3C3OC(CO)C(O)C3O)C1[NH3+])=N2
AddComponent,Please add a amine to the molecule CC(C)C[NH+](CC(=O)c1ccc2c(c1)OCO2)C1CC1.,CC(C)C[NH+](CC(=O)c1ccc2c(c1)OCO2)C1CC1N
SubComponent,Modify the molecule halo by substituting a O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NCCC[NH+]1CCN(c2ccccc2F)CC1 with a carboxyl.,O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NCCC[NH+]1CCN(c2ccccc2C(=O)[OH])CC1
DelComponent,Modify the molecule amide by removing a COc1ccc2c(C)cc3nnc(SCC(=O)NCC4([NH+]5CCOCC5)CCCCC4)n3c2c1.,COc1ccc2c(C)cc3nnc(SCC4([NH+]5CCOCC5)CCCCC4)n3c2c1
LogP,Please modify the molecule N#Cc1cccc(C[NH+]2CC3CCC2CN(Cc2ccccc2)C3)c1 to decrease its LogP value.,O=C([OH])c1cccc(C[NH+]2CC3CCC2CN(Cc2ccccc2)C3)c1
MR,Modify the molecule CC(C)CC(=O)Nc1cnccc1Cl to increase its MR value.,CC(C)CC(=O)Nc1cnccc1C(=O)[OH]
QED,Optimize the molecule Cc1c([O-])c(=O)ccn1CCCCCCCC(=O)NCCOCCNC(=O)CCCCCCCn1ccc(=O)c([O-])c1C to have a lower QED value.,Cc1c([O-])c(=O)ccn1CCCCCCCC(=O)NCCOCCNC(=O)CCCCCCC(N)n1ccc(=O)c([O-])c1C
AtomNum,"There is a molecule with 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",[NH3+]CCc1ccc(C(=O)Nc2cc(F)ccc2Cl)cc1
BondNum,"There is a molecule composed of 6 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)c1cc([S-])ccc1Br
FunctionalGroup,The molecule has and 1 amide group.,C[NH2+]C(C)(C)C(=O)N1CCCCC1CCC(=O)[O-]
AddComponent,Modify the molecule CC(C)C(C)CNc1ccc(C(=O)[O-])c(F)c1F by adding a aldehyde.,CC(C)C(CCC=O)CNc1ccc(C(=O)[O-])c(F)c1F
SubComponent,Please substitute a CSc1cc(I)c2ccsc2c1N in the molecule halo with a thiol.,CSc1cc(S)c2ccsc2c1N
DelComponent,Remove a amide from the molecule Cc1ccc(-c2cc(C(=O)NC(c3nc(C)no3)C(C)C)no2)cc1.,Cc1ccc(-c2c-n(C(c3nc(C)no3)C(C)C)o2)cc1
LogP,Please optimize the molecule CC=Cc1c(CC)c(-c2ccc(-c3ccc(C#N)cc3)cc2)c(C)c2ccccc12 to have a higher LogP value.,CC=Cc1c(CC)c(-c2ccc(-c3ccc(S)cc3)cc2)c(C)c2ccccc12
MR,Optimize the molecule CS(C)(C)CCOCn1ccc2c(-c3cccc(C4(CO)Cc5ccccc5C4)c3)ncnc21 to have a higher MR value.,CS(C)(C)CCOCn1ccc2c(-c3cccc(C4(CO)Cc5ccc(O)cc5C4)c3)ncnc21
QED,Optimize the molecule CC(C(N)=O)S(=O)CCOc1ccc(Cl)cc1 to have a lower QED value.,CC(C(N)=O)S(=O)CCOc1ccc(C(=O)[OH])cc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCOCCOc1ccc(C)nc1CC([NH3+])CC
BondNum,"Please generate a molecule with 10 single bonds, 6 rotatable bonds, and 5 aromatic bonds.",CCCn1cc(C([NH3+])CC[NH+](C)C)cn1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, 2 amine groups, and 4 halo groups.",CC(C)(C)[NH+]=C(NC(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
AddComponent,Modify the molecule CC[NH2+]C(c1cc(C)cc(C)c1)C1CCCCO1 by adding a benzene ring.,CC[NH2+]C(c1cc(C)cc(C)c1-c1ccccc1)C1CCCCO1
SubComponent,Substitute a halo in the molecule CCC(C)c1ccc(-c2ccc(C[NH3+])c(Cl)c2)cc1 with a nitro.,CCC(C)c1ccc(-c2ccc(C[NH3+])c(NO)c2)cc1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(COc2ccc(Cn3cnc4cc(N5CC[NH+]6CCC5CC6)cnc43)cc2OC)cn1.,COc1ccc(COC(OC)n2cnc3cc(N4CC[NH+]5CCC4CC5)cnc32)cn1
LogP,Modify the molecule C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 to decrease its LogP value.,C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(O)CC(=O)N2
MR,Optimize the molecule COC(=O)Cc1c(Br)cc(Br)cc1OC(F)F to have a lower MR value.,COC(=O)Cc1c(Br)cc(Br)cc1OCF
QED,Please modify the molecule Cc1cc(C=C(C#N)C(=O)NC2CCCC2)c(C)n1-c1cccc(Cl)c1Cl to increase its QED value.,Cc1cc(C(C#N)C2CCCC2)c(C)n1-c1cccc(Cl)c1Cl
AtomNum,"Please generate a molecule with 20 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 1 bromine atom.",Cc1c(Br)c(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)nn1C
BondNum,"The molecule has 9 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",C[NH+](Cc1ccc(Br)cc1)Cc1ccc(C(N)=[NH+]O)cc1
FunctionalGroup,The molecule consists of and 1 amide group.,O=C(CCOc1cccc2ncccc12)N1CC[NH2+]CC1
AddComponent,Modify the molecule O=C(Cc1coc2ccc3ccccc3c12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 by adding a amine.,NC1COCCN1S(=O)(=O)c1cccc(NC(=O)Cc2coc3ccc4ccccc4c23)c1
SubComponent,Please substitute a hydroxyl in the molecule COC1OC(C(O)=Cc2ccccc2)C(O)C(O)C1O with a nitrile.,COC1OC(C(C#N)=Cc2ccccc2)C(O)C(O)C1O
DelComponent,Please remove a amide from the molecule COc1ccc(CC2CCCC2NC(C)=O)cc1OC.,COc1ccc(CC2CCCC2)cc1OC
LogP,Please optimize the molecule Nc1cccc(OCC2CC(c3cccc(OCCCc4ccccc4)c3)NN2)c1 to have a higher LogP value.,Nc1cccc(OCC2CC(c3cccc(OCCCc4ccccc4)c3)NN2)c1-c1ccccc1
MR,Modify the molecule COC[Si](C)(C[SiH](C)C)O[Si](C)(CC[Si](C)(C)O)O[Si](C)(C)C(C)O[SiH](C)C to increase its MR value.,COC[Si](C)(C[SiH](C)C)O[Si](C)(CC[Si](C)(C)NO)O[Si](C)(C)C(C)O[SiH](C)C
QED,Please optimize the molecule CCOC(C)C(=O)N(C)CCCOc1ccccc1Cl to have a lower QED value.,CCOC(C)C(=O)N(C)CCCOc1ccccc1
AtomNum,"There is a molecule consisting of 24 carbon atoms, 4 oxygen atoms, 11 nitrogen atoms, and 1 fluorine atom.",NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2nc(=O)c3[nH]cnc3[nH]2)c2ccc(-c3ccnnc3)cc12
BondNum,"The molecule consists of 12 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",CC(Cc1ccccc1)[NH2+]CC(C)(C)CCCO
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 3 amine groups, and 1 sulfone group.",NC(=S)c1ccc(S(=O)(=O)NCC(=O)NC(Cc2cccc(C(N)=S)c2)C(=O)[O-])cc1
AddComponent,Please add a hydroxyl to the molecule CC1(C)Cc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c(=O)n3Cc2ccc(F)cc2)CO1.,CC1(CO)Cc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c(=O)n3Cc2ccc(F)cc2)CO1
SubComponent,Please substitute a halo in the molecule Nc1cc(Cl)ccc1S(=O)(=O)CCC1CCCO1 with a nitro.,Nc1cc(NO)ccc1S(=O)(=O)CCC1CCCO1
DelComponent,Modify the molecule halo by removing a C=CCCc1ccc(Br)cc1Cl.,C=CCCc1ccc(Br)cc1
LogP,Optimize the molecule CCCOc1ccc(OCC[NH+]2CCCC(N(CC(=O)[O-])C(C)=O)CC2)cc1 to have a higher LogP value.,CCCOc1ccc(OCC[NH+]2CCCC(CC(=O)[O-])CC2)cc1
MR,Please modify the molecule CCC(NC(=O)C1CCC(C[NH3+])CC1)c1ccc(Br)cc1 to decrease its MR value.,CCC(NC(=O)C1CCC(C[NH3+])CC1)c1ccc(C(=O)[OH])cc1
QED,Modify the molecule CCNc1cc(Sc2nccc(C)n2)nc(COCC)n1 to decrease its QED value.,CCNc1cc(Sc2nccc(C)n2)nc(COC(C)O)n1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 3 fluorine atoms, and 2 chlorine atoms.",[O-]c1c(-c2cc(Cl)ccc2Cl)ccnc1C(F)(F)F
BondNum,"The molecule has 10 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=S(=O)(Nc1ccc(Cl)cc1)C1CC[NH2+]CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 halo group, 2 thioether groups, and 1 sulfide group.",O=C1OC(Cn2cccn2)CN1c1ccc(-c2ccc(N3CCSCC3)nc2)c(F)c1
AddComponent,Add a amine to the molecule CNc1ccc(N2CCOCC2=O)c(C)c1.,CNc1ccc(N2C(=O)COCC2N)c(C)c1
SubComponent,Modify the molecule halo by substituting a CCCCCCC(C)NC(=O)C(F)(N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F with a aldehyde.,CC(=O)C(C(=O)NC(C)CCCCCC)(N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F
DelComponent,Remove a CCc1nc2c(Cl)cc(C(F)(F)F)cn2c1C(=O)NC(C)C1CC2CCC1C2 from the molecule halo.,CCc1nc2c(Cl)cc(C(F)F)cn2c1C(=O)NC(C)C1CC2CCC1C2
LogP,Modify the molecule Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N(C)Cc3ccco3)cc2)n1 to have a lower LogP value.,Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N(CO)Cc3ccco3)cc2)n1
MR,Modify the molecule Cc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(-n2ccnc2)n1 to increase its MR value.,Cc1nc(N2CCN(C(=O)COc3ccc(Cl)c(C(=O)O)c3)CC2)cc(-n2ccnc2)n1
QED,Please modify the molecule CC(O)Nc1noc2ccccc12 to increase its QED value.,CC(O)c1noc2ccccc12
AtomNum,"The molecule has 22 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1cc(C(=O)CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c(C)s1
BondNum,"There is a molecule with 12 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CC(=O)Oc1cccc(C(=O)NCCNC(=O)C=Cc2cccc(Br)c2)c1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",CC[NH+]1CCCC1C(=O)N(C)Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)[O-])OCC1CC21
AddComponent,Modify the molecule C=CN1CCN(CCCC)C1=O by adding a benzene ring.,C=CN1C(=O)N(CCCC)CC1c1ccccc1
SubComponent,Modify the molecule [NH3+]CCn1cnc(C(=O)NCC(F)F)c1 by substituting a halo with a thiol.,[NH3+]CCn1cnc(C(=O)NCC(F)S)c1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)C(C)(C)C)C3)cc1.,COCCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)C(C)(C)C)C2
LogP,Please optimize the molecule CCc1cc(C(=O)NC(C#N)(CC)CC)cc(Cl)n1 to have a lower LogP value.,CCc1cc(C(=O)NC(C#N)(CC)CC)cc(S)n1
MR,Please optimize the molecule CCCNC(=S)Nc1ccc(CC)cc1 to have a higher MR value.,CCCNC(=S)Nc1ccc(CC)c(O)c1
QED,Please modify the molecule CC(CC(=O)[O-])SCc1cnc(Cl)cn1 to decrease its QED value.,CC(CC(=O)[O-])SCc1cnc(NO)cn1
AtomNum,"Please generate a molecule consisting 52 carbon atoms, 5 oxygen atoms, and 9 nitrogen atoms.",CNc1ccc(C2CCC(c3ccc4nc(C5CCCN5C(=O)C(NC(=O)OC)=C(C)C)[nH]c4c3)N2c2ccc(C(C)(C)C)cc2)cc1N(C)C1CCC[NH+]1C(C)C(NC(=O)OC)=C(C)C
BondNum,"Please generate a molecule consisting 13 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC[NH+]1CCN(S(=O)(=O)c2cc(CO)ccc2C)CC1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 1 amide group.",CCN(C(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1
AddComponent,Please add a hydroxyl to the molecule CC12C(=CC(=O)CC1O)CCC1C2CCC2(C)C1CCC2(O)C(=O)CO.,CC12CCC3(O)C(CCC4=CC(=O)CC(O)C43C)C1CCC2(O)C(=O)CO
SubComponent,Substitute a hydroxyl in the molecule CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)CO)OC(C(=O)[O-])C(O)C2O)C(O)C(O)C1O with a aldehyde.,CC(=O)CC1OC(OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)[O-])C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4)C(O)C(O)C2O)C(O)C(O)C1O
DelComponent,Modify the molecule benzene ring by removing a CCCC([NH3+])C(=S)N(c1ccccc1)c1ncc2c(n1)N(c1ccccc1)C(=O)N(c1ccc(OC)cc1)C2.,CCCC([NH3+])C(=S)N(c1ccccc1)c1ncc2c(n1)NC(=O)N(c1ccc(OC)cc1)C2
LogP,Please optimize the molecule CCCC(=O)NC1CCCN(C(=O)NCCC(=O)[O-])C1 to have a higher LogP value.,CCCC(=O)NC1CCCN(C(=O)NC(CC(=O)[O-])c2ccccc2)C1
MR,Please optimize the molecule CC1C(CSc2nnnn2-c2ccc(O)cc2)OC(c2cccc(-c3cccc(CNC(=O)c4ccccc4)c3)c2)OC1c1ccc(CO)cc1 to have a lower MR value.,CC1C(CSc2nnnn2-c2ccccc2)OC(c2cccc(-c3cccc(CNC(=O)c4ccccc4)c3)c2)OC1c1ccc(CO)cc1
QED,Please optimize the molecule CCC(C(=O)OCC(F)(F)C(F)(F)F)C(C)(C)OC(=O)C(C)(CC(C)(C)CC)C(C)(C)CC to have a lower QED value.,CCC(C(=O)OCC(F)(S)C(F)(F)F)C(C)(C)OC(=O)C(C)(CC(C)(C)CC)C(C)(C)CC
AtomNum,"There is a molecule composed of 17 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CCOc1cc(N(C)Cc2[nH]c(-c3ccccc3)c[nH+]2)ncn1
BondNum,"The molecule is composed of 26 single bonds, 6 double bonds, 13 rotatable bonds, and 6 aromatic bonds.",O=C(CC1CCCC1)NC(CCCCNC(=O)C1=[NH+]NC(C(=O)NCc2ccccc2)=NN1)C(=O)[O-]
FunctionalGroup,The molecule consists of and 3 benzene ring groups.,O=c1cc(-c2ccccc2)[nH]c2c(-c3ccccc3)cc(-c3ccccc3)cc12
AddComponent,Modify the molecule CCC1CCCC[NH+]1CCNC(=O)NCC(C)(O)C(C)C by adding a benzene ring.,CC(C)C(C)(O)CNC(=O)NCC[NH+]1CCCCC1CCc1ccccc1
SubComponent,Modify the molecule halo by substituting a CC(CNc1nc(Cl)nc(N2CCCCC2)n1)C(C)(C)C with a nitrile.,CC(CNc1nc(C#N)nc(N2CCCCC2)n1)C(C)(C)C
DelComponent,Please remove a amide from the molecule O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.,O=S(=O)(c1ccc(F)cc1)N1CCC(c2ccc(-c3nc4ccccc4o3)cc2)C1
LogP,Optimize the molecule CC(NC(=O)C1C=CC([NH3+])C1)c1ccncc1 to have a lower LogP value.,CC(NC(=O)C1C=CC([NH3+])C1)c1ccncc1N
MR,Please modify the molecule CS(=O)(=O)Nc1cccc(-c2ccc(-c3ccc(F)cc3)cc2CCC(N)=O)c1 to increase its MR value.,CS(=O)(=O)Nc1cccc(-c2ccc(-c3ccc(O)cc3)cc2CCC(N)=O)c1
QED,Modify the molecule CN1c2ccccc2C(=O)NC12CCN(C(=O)c1cccc(F)c1)CC2 to decrease its QED value.,NCN1c2ccccc2C(=O)NC12CCN(C(=O)c1cccc(F)c1)CC2
AtomNum,"The molecule contains 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",C=C(Cl)CNS(=O)(=O)c1ccc(CCC)cc1
BondNum,"There is a molecule consisting of 29 single bonds, 12 rotatable bonds, and 34 aromatic bonds.",CC1CN(c2cc(-c3ccccc3O)nnc2N)CC[NH+]1Cc1nccn1COc1ccccc1-c1cc(N2CC[NH+](Cc3nccs3)C(CO)C2)c(N)nn1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ester group, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",CC1CCCN(C(=O)COC(=O)CNS(=O)(=O)c2cccc(Br)c2)C1
AddComponent,Add a benzene ring to the molecule CCCC[NH2+]C(Cc1cccc2ccccc12)=C1C(=O)CC(C)(C)CC1=O.,CCCC[NH2+]C(Cc1c(-c2ccccc2)ccc2ccccc12)=C1C(=O)CC(C)(C)CC1=O
SubComponent,Substitute a halo in the molecule ClCc1cnc(-c2cnccn2)nc1 with a carboxyl.,O=C([OH])Cc1cnc(-c2cnccn2)nc1
DelComponent,Modify the molecule hydroxyl by removing a CCOc1ccc(NC(=O)CC2(O)CCCC2)cn1.,CCOc1ccc(NC(=O)CC2CCCC2)cn1
LogP,Optimize the molecule O=C(NN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S)c1ccccc1 to have a higher LogP value.,O=C(c1ccccc1)N(Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=S)S
MR,Modify the molecule [NH3+]C1c2ccccc2CC1Cc1ccccc1F to have a lower MR value.,[NH3+]C1c2ccccc2CC1CF
QED,Please optimize the molecule COc1cc(I)c(C(F)F)nc1C(=O)[O-] to have a lower QED value.,COc1ccc(C(F)F)nc1C(=O)[O-]
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 fluorine atom, and 1 bromine atom.",[NH3+]C(CC(F)c1ccc(Br)cc1)C(=O)[O-]
BondNum,"There is a molecule consisting of 19 single bonds, 2 double bonds, and 2 rotatable bonds.",CO[Si]1CNC(=O)NCCCCNC(=O)NC[Si](OC)O1
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 1 ester group, 2 amide groups, and 1 halo group.",CC(OC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1)C(=O)NC(=O)Nc1ccccc1
AddComponent,Add a benzene ring to the molecule C=CCC(C)(CCO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1.,C=CCC(C)(C(CO[Si](C)(C)C(C)(C)C)c1ccccc1)S(=O)(=O)c1ccccc1
SubComponent,Modify the molecule halo by substituting a CC(NC(=O)CCc1ccccc1)c1ccc(C(F)(F)F)cc1 with a aldehyde.,CC(=O)C(F)(F)c1ccc(C(C)NC(=O)CCc2ccccc2)cc1
DelComponent,Please remove a halo from the molecule Nc1ccccc1NC(=O)c1ccc(CN=c2ccc3cc(Cl)ccc3o2)cc1.,Nc1ccccc1NC(=O)c1ccc(CN=c2ccc3ccccc3o2)cc1
LogP,Optimize the molecule COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cccc(Cl)c1Cl to have a lower LogP value.,CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)c1Cl
MR,Optimize the molecule COc1ccc(CC(Br)c2cccc(F)c2)cc1 to have a lower MR value.,COc1ccc(CC(F)Br)cc1
QED,Modify the molecule CC(C)(C)OC(=O)NCCCOc1ccc(C(=O)NC2CC(n3cnc4c(N)ncnc43)C(O)C2O)cc1 to increase its QED value.,CC(C)(C)OC(=O)NCCCOc1ccc(C(=O)NC2CC(n3cnc4cncnc43)C(O)C2O)cc1
AtomNum,"There is a molecule consisting of 26 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, 1 sulfur atom, and 4 fluorine atoms.",CC(C)c1ccc(F)cc1NC(=S)NC(=O)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1
BondNum,"The molecule has 14 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)N1CCCC(CC(NN)c2cccc(Cl)c2)C1
FunctionalGroup,The molecule is composed of and 2 amide groups.,CNC(=O)C1CCCCN1C(=O)c1ccc(=O)[nH]c1
AddComponent,Add a hydroxyl to the molecule CCC1(C[NH2+]C2CC(=O)N(C3CCCCC3)C2=O)CCC1.,CCC1(C[NH2+]C2CC(=O)N(C3(O)CCCCC3)C2=O)CCC1
SubComponent,Please substitute a O=c1[nH]c(C(=CC2CCC(O)[NH2+]2)c2ccc(C(F)(F)F)cc2)ccc1C1CC1 in the molecule halo with a carboxyl.,O=C([OH])C(F)(F)c1ccc(C(=CC2CCC(O)[NH2+]2)c2ccc(C3CC3)c(=O)[nH]2)cc1
DelComponent,Remove a amide from the molecule CCOC(=O)c1cc(C)sc1NC(=O)C[NH+]1CCN(Cc2cccc(OC)c2)CC1.,CCOC(=O)c1cc(C)sc1[NH+]1CCN(Cc2cccc(OC)c2)CC1
LogP,Modify the molecule C=CCn1ccc(C(F)F)n1 to decrease its LogP value.,C=CCn1ccc(CF)n1
MR,Modify the molecule NC(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-] to increase its MR value.,NC(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]
QED,Please optimize the molecule O=C([O-])c1cn(CCc2ccccn2)c2ccc(Cc3cccc(Cl)c3Cl)cc2c1=O to have a higher QED value.,O=C([O-])c1cn(CCc2ccccn2)c2ccc(C(Cl)Cl)cc2c1=O
AtomNum,"The molecule consists of 42 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",O=C1c2ccccc2C(=O)c2c1cccc2N(c1cccc2c1C(=O)c1ccccc1C2=O)c1cccc2c1C(=O)c1ccccc1C2=O
BondNum,"Please generate a molecule with 16 single bonds, 2 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCCCNC(=O)C(CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 6 hydroxyl groups, and 1 ester group.",COc1cc(C=CC(=O)OC(C(=O)[O-])C(O)(Cc2ccc(O)cc2)C(=O)[O-])ccc1OC1OC(CO)C(O)C(O)C1O
AddComponent,Modify the molecule CCn1c(CNc2cccc(C(C)=O)c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 by adding a carboxyl.,CCn1c(CNc2cc(C(C)=O)cc(C(=O)O)c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
SubComponent,Substitute a nitrile in the molecule CCCC[NH+](C=C(C#N)C(=O)NC(C)c1ccc(OC)c(OC)c1)CCCC with a hydroxyl.,CCCC[NH+](C=C(O)C(=O)NC(C)c1ccc(OC)c(OC)c1)CCCC
DelComponent,Modify the molecule Cc1cccc(NCc2cccc(OC3CCCC3)c2)c1C by removing a benzene ring.,Cc1cccc(NCOC2CCCC2)c1C
LogP,Modify the molecule CC(CN1CCOCC1)[NH2+]Cc1cncc(Br)c1 to decrease its LogP value.,CC(CN1CCOCC1)[NH2+]Cc1cncc(C#N)c1
MR,Modify the molecule CC(=O)NCCc1cc(O)c(O)c(O)c1 to have a lower MR value.,CCc1cc(O)c(O)c(O)c1
QED,Please modify the molecule COc1cc2ccc(S(=O)(=O)NC(CCC[NH+]=C(N)N)C(=O)N3CCCC(C(=O)[O-])C3)cc2cc1OC to increase its QED value.,COc1cc2ccc(S(=O)(=O)NC(CCCC(N)N)C(=O)N3CCCC(C(=O)[O-])C3)cc2cc1OC
AtomNum,"The molecule is composed of 25 carbon atoms, 6 nitrogen atoms, and 1 fluorine atom.",Fc1ccc(C(c2nnnn2Cc2ccccc2)[NH+]2CCCN(C3CCCC3)CC2)cc1
BondNum,"The molecule is composed of 2 single bonds, 2 rotatable bonds, and 50 aromatic bonds.",c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6[nH]c5c43)nc3ccc4c5ccccc5sc4c23)cc1
FunctionalGroup,"The molecule contains 1 ester group, and 1 sulfide group.",CCCOCc1ncc(C(=O)OC)s1
AddComponent,Please add a benzene ring to the molecule CCCC(CC(CCC)C(O)CC)C(=O)[O-].,CCCC(CC(CCCc1ccccc1)C(=O)[O-])C(O)CC
SubComponent,Substitute a COc1ccc(C(=O)Nc2ccc(C)c(-c3cccc4cnc(N)nc34)c2)cc1C(F)(F)F in the molecule halo with a aldehyde.,CC(=O)C(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cccc4cnc(N)nc34)c2)ccc1OC
DelComponent,Remove a nitrile from the molecule CC(Cl)=CC(C(C)C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)C(C)C.,CC(Cl)=CC(C(C)C)C(C(=O)OCc1cccc(Oc2ccccc2)c1)C(C)C
LogP,Please optimize the molecule Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)nc2ccccc12 to have a lower LogP value.,Cc1c(Cl)cc(O)cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)nc2ccccc12
MR,Please modify the molecule Cc1[nH]c(-c2cccc(C[NH+](C)Cc3ccncn3)c2)nc(=O)c1F to increase its MR value.,Cc1[nH]c(-c2cccc(C[NH+](C)C(O)c3ccncn3)c2)nc(=O)c1F
QED,Please modify the molecule C[NH2+]C1(C)CCN(c2nc(OC)ncc2Cl)CC1 to decrease its QED value.,C[NH2+]C1(C)CCN(c2nc(OC)ncc2S)CC1
AtomNum,"There is a molecule with 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCC[NH2+]C(CC)c1ccn(CCCS(=O)(=O)CC)c1
BondNum,"There is a molecule consisting of 13 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",Cc1ccccc1NC1CN(S(=O)(=O)c2cn(C)cn2)CC1c1ccc(F)cc1
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 1 amide group, and 2 amine groups.",CN(CC(N)=[NH+]O)C(=O)C1C2CCCCC21
AddComponent,Modify the molecule COc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)C5CCCCC5)CC4)nc32)cc1 by adding a hydroxyl.,COc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)C5CCC(O)CC5)CC4)nc32)cc1
SubComponent,Please substitute a halo in the molecule [NH3+]C1(c2nc3ccc(Br)cc3[nH]2)CC1 with a nitrile.,N#Cc1ccc2nc(C3([NH3+])CC3)[nH]c2c1
DelComponent,Remove a hydroxyl from the molecule CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(O)c2ccc(Cl)cc2)C1=O.,CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CCc2ccc(Cl)cc2)C1=O
LogP,Optimize the molecule CCC1(Nc2ccc(F)cc2N)CCC1 to have a lower LogP value.,CCC1(Nc2ccc(C#N)cc2N)CCC1
MR,Modify the molecule Cc1ccn(Cc2nc(-c3cc(Cl)ccc3O)cs2)c(=O)c1 to decrease its MR value.,Cc1ccn(Cc2nc(-c3ccccc3O)cs2)c(=O)c1
QED,Optimize the molecule Nc1cc(F)ccc1-c1nc2cc(F)c(F)cc2[nH]1 to have a lower QED value.,Nc1cc(F)ccc1-c1nc2ccc(F)cc2[nH]1
AtomNum,"There is a molecule composed of 11 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",O=C([O-])c1ccc(CNC(=O)C2CC(O)C[NH2+]2)o1
BondNum,"The molecule consists of 13 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)c1ccc(C(=O)NCCC2CCS(=O)(=O)C2)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 ester group.",CCOC(=O)C(c1ccnn1-c1ccccc1)C(C)C
AddComponent,Add a carboxyl to the molecule CSCCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)sc2cc(Cl)ccc21.,CSCCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)C3CC3)c(C(=O)O)c2)sc2cc(Cl)ccc21
SubComponent,Modify the molecule C[NH+](Cc1cccc(F)c1)Cc1cc2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccn2n1 by substituting a halo with a nitrile.,C[NH+](Cc1cccc(C#N)c1)Cc1cc2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccn2n1
DelComponent,Modify the molecule amide by removing a NC(=O)NC(=O)C(CO)CCCCCCCCCCCCCCCCCO.,NC(=O)C(CO)CCCCCCCCCCCCCCCCO
LogP,Optimize the molecule CN(C)c1ncc(-c2cccc(F)c2)c(C2CCN(C(=O)COc3ccccc3)CC2)n1 to have a lower LogP value.,CN(CN)c1ncc(-c2cccc(F)c2)c(C2CCN(C(=O)COc3ccccc3)CC2)n1
MR,Please optimize the molecule CCS(=O)(=O)c1ccccc1C(=O)NCC[NH+]1CCN(c2nc3c(C)ccc(C)c3s2)CC1 to have a lower MR value.,CCS(=O)(=O)C(=O)NCC[NH+]1CCN(c2nc3c(C)ccc(C)c3s2)CC1
QED,Please modify the molecule N#Cc1c(NC(=O)CC[NH+]2CCN(c3ncccn3)CC2)sc2c1CCCCC2 to increase its QED value.,O=C(CC[NH+]1CCN(c2ncccn2)CC1)Nc1cc2c(s1)CCCCC2
AtomNum,"The molecule contains 20 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1ccc(OC(=CC#N)c2ccc(C(C)(C)C)cc2)cc1
BondNum,"The molecule is composed of 7 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",C[NH2+]C(C(N)=O)c1ccc(Cl)cc1Br
FunctionalGroup,"The molecule has 1 hydroxyl group, 1 amide group, and 2 amine groups.",CCC(C(=O)NCC(C)C[NH+]1CCCC1)C(N)=[NH+]O
AddComponent,Please add a benzene ring to the molecule CC(CCO)CNC(CC(F)(F)F)c1ccccc1.,CC(CCO)CNC(CC(F)(F)F)c1ccccc1-c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC(O)C1 with a thiol.,O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC(S)C1
DelComponent,Remove a benzene ring from the molecule O=C(OCCCS(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2.,O=C(OCCC[SH](=O)=O)c1ccc2c(c1)CCCC2
LogP,Please optimize the molecule CS(=O)(=O)NC(=O)C1CCN(c2ncc(C(=O)Nc3nc(-c4cc(Cl)cs4)c(N4CC[NH+](C5CCCCC5)CC4)s3)cc2Cl)CC1 to have a lower LogP value.,CS(=O)(=O)NC(=O)C1(O)CCN(c2ncc(C(=O)Nc3nc(-c4cc(Cl)cs4)c(N4CC[NH+](C5CCCCC5)CC4)s3)cc2Cl)CC1
MR,Modify the molecule CC(CCl)(CCl)Nc1cnnc2ccccc12 to have a lower MR value.,CC(C)(CCl)Nc1cnnc2ccccc12
QED,Modify the molecule CCCCOCC(CN(CCN(CO)CC[NH+](CC(CC)OCO)CC(CC)OCO)CC[NH+](CO)CC(COCCCC)OCC)OCO to have a higher QED value.,CCCCOCC(CN(CCN(CO)CC[NH+](CC(CC)OCO)CC(CC)OCO)CC[NH+](CO)CC(COCCCCc1ccccc1)OCC)OCO
AtomNum,"There is a molecule consisting of 13 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCCOCCOC(=O)c1cc(OC)ccc1N
BondNum,"There is a molecule consisting of 9 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",CNC(=O)c1ccccc1NC(=O)Cc1coc2cc(OC)ccc12
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 sulfide group.",Cc1csc(=O)n1CC(=O)NCc1ccc(-n2cccn2)cc1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C)c(S(=O)(=O)NC(C)C(C)(C)C)c1.,Cc1ccc(C)c(S(=O)(=O)NC(C)C(C)(C)Cc2ccccc2)c1
SubComponent,Modify the molecule CCC(CC)(C[NH3+])C(=O)N(C)Cc1ccc(O)c(OC)c1 by substituting a hydroxyl with a carboxyl.,CCC(CC)(C[NH3+])C(=O)N(C)Cc1ccc(C(=O)[OH])c(OC)c1
DelComponent,Modify the molecule benzene ring by removing a CCS(=O)(=O)C(c1ccccc1)[N+](=O)[O-].,CCS(=O)(=O)C[N+](=O)[O-]
LogP,Please optimize the molecule Cc1cccc(F)c1Nc1nc(Cl)nc(-n2cccn2)n1 to have a lower LogP value.,Cc1cccc(NO)c1Nc1nc(Cl)nc(-n2cccn2)n1
MR,Optimize the molecule C[Si](C)(C)CCOCn1cnc(-c2ccc(C#N)cc2)c1C=O to have a lower MR value.,C[Si](C)(C)CCOCn1cnc(C#N)c1C=O
QED,Please modify the molecule Cc1cc(C)nc(OC2CCCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)C2)n1 to decrease its QED value.,Cc1cc(C)nc(OC2CC(c3ccccc3)CN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)C2)n1
AtomNum,"The molecule consists of 11 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 2 chlorine atoms.",Cc1cc(NC(=O)c2cc(Cl)nc(Cl)c2)n(C)n1
BondNum,"There is a molecule with 10 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(Cc2sc(NC(=O)C(C)C[NH3+])nc2C)cc1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 5 amide groups, and 2 halo groups.",CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(=O)Nc4ccc(F)cc4C)cc3C)CC2)c1
AddComponent,Please add a benzene ring to the molecule CCN1c2cc(OC)c(C=C3C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2C(C)CC1(C)C.,CCN1c2cc(OC)c(C=C3C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2C(C)CC1(C)Cc1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CCCn1c(CO)nnc1-c1ccc(C)cc1 with a nitro.,CCCn1c(CNO)nnc1-c1ccc(C)cc1
DelComponent,Modify the molecule halo by removing a O=C(Cl)OC1CCCC(OC(=O)Cl)CCC1.,O=COC1CCCC(OC(=O)Cl)CCC1
LogP,Modify the molecule COc1ncnc(NCc2ncc(C)o2)c1N to have a lower LogP value.,COc1ncnc(Cc2ncc(C)o2)c1N
MR,Modify the molecule CCOc1ccc(NC(C)C2CCC[NH+](C)C2)cc1OC to decrease its MR value.,CCOc1ccc(C(C)C2CCC[NH+](C)C2)cc1OC
QED,Optimize the molecule CCC1CCC(Nc2ccc(CO)cc2)CC1 to have a lower QED value.,CCC1CCC(Nc2ccc(CS)cc2)CC1
AtomNum,"The molecule is composed of 13 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 chlorine atom.",CCCNc1cc(C(=O)NCCc2ncon2)cc(Cl)n1
BondNum,"The molecule contains 17 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCC(CC1(C)[NH+]=C(N)OCC1(F)F)C(=O)Nc1cccc2cc(Cl)cnc12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 2 amide groups.",CN(CCc1ccncc1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)n1
AddComponent,Modify the molecule CC(C)[NH2+]CC(C)C(C)[NH+](C)C1CCCC1 by adding a carboxyl.,CC(C)[NH2+]CC(C)C(C)[NH+](C)C1CCC(C(=O)O)C1
SubComponent,Modify the molecule halo by substituting a O=S(=O)(NCc1ccnnc1)c1cc(Br)cs1 with a thiol.,O=S(=O)(NCc1ccnnc1)c1cc(S)cs1
DelComponent,Remove a CCC1=NC(=O)CC(C(=O)NO)=C1 from the molecule hydroxyl.,CCC1=NC(=O)CC(C(N)=O)=C1
LogP,Optimize the molecule Cc1cc(CS(=O)(=O)Nc2ccc(I)cc2)no1 to have a lower LogP value.,Cc1cc(CS(=O)(=O)Nc2ccc(S)cc2)no1
MR,Modify the molecule NC(N)=[NH+]CCCC(NC(=O)C1CCCN1C(=O)C([NH3+])Cc1ccc(O)cc1)C(=O)CCl to decrease its MR value.,NC(N)CCCC(NC(=O)C1CCCN1C(=O)C([NH3+])Cc1ccc(O)cc1)C(=O)CCl
QED,Please optimize the molecule CNC(=O)C1=C([O-])C2(O)C(=O)C3=C([O-])c4c(O)ccc(C=Cc5ccc(OC)c(OC)c5)c4CC3CC2C([NH+](C)C)C1=O to have a higher QED value.,CNC(=O)C1=C([O-])C2C(=O)C3=C([O-])c4c(O)ccc(C=Cc5ccc(OC)c(OC)c5)c4CC3CC2C([NH+](C)C)C1=O
AtomNum,"The molecule consists of 26 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(N4CCCCC4)cc3)c2c1
BondNum,"The molecule has 15 single bonds, 1 double bond, 6 rotatable bonds, and 22 aromatic bonds.",Cc1ccccc1-c1noc(CN2CC[NH+](Cn3nc(-c4ccc(Cl)cc4)n(C)c3=S)CC2)n1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, and 1 halo group.",Cc1cccc(F)c1NC1CCCCC1
AddComponent,Add a amine to the molecule Nc1cccc(SCC(F)F)c1.,Nc1cccc(SCC(F)F)c1N
SubComponent,Modify the molecule halo by substituting a CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)C2c2ccc(O)c(Br)c2)c1 with a aldehyde.,CC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OCC(C)C)c3)C2c2ccc(O)c(Br)c2)cc1
DelComponent,Please remove a COC1CCC(Nc2ccc(C#N)cc2F)CC1 from the molecule amine.,COC1CCC(c2ccc(C#N)cc2F)CC1
LogP,Modify the molecule CC(C)(C)c1ccc(NC(=O)c2cccc(N)c2O)cc1 to increase its LogP value.,CC(C)(C)c1ccc(NC(=O)c2cccc(N)c2NO)cc1
MR,Please optimize the molecule CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 to have a higher MR value.,CC(C)(C)OC(=O)Nc1ccc(NO)cc1NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1
QED,Optimize the molecule NC(=S)C1(C(=O)Nc2cccc(F)c2)CCCCC1 to have a lower QED value.,NC(=S)C1(C(=O)Nc2cccc(S)c2)CCCCC1
AtomNum,"Please generate a molecule with 7 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 4 phosphorus atoms.",COC(=O)C=CC(CCNP)NP(P)P
BondNum,"There is a molecule with 48 single bonds, 12 double bonds, 25 rotatable bonds, and 12 aromatic bonds.",NC(N)=[NH+]CCCC1NC(=O)C(CCC(=O)NCCCCCC(=O)NC(CNC(=O)CON=Cc2ccc(I)cc2)C(=O)[O-])NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)[O-])NC(=O)CNC1=O
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amine group, and 1 sulfone group.",Cc1ccc(CNc2ccccc2S(=O)(=O)N(C)C)cc1
AddComponent,Please add a benzene ring to the molecule COCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)C3CC3c3ccccc3)CC2)C1=O.,COCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)C3CC3c3cccc(-c4ccccc4)c3)CC2)C1=O
SubComponent,Please substitute a C[NH+](Cc1ccccc1)C1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O in the molecule halo with a thiol.,C[NH+](Cc1ccccc1)C1=C(S)C(=O)N(c2ccc(Cl)cc2)C1=O
DelComponent,Modify the molecule amine by removing a CCCC(NS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-].,CCCC(C(=O)[O-])S(=O)(=O)c1ccc(Cl)s1
LogP,Modify the molecule O=c1cc(C(F)(F)F)[nH]n1CCCc1ccccc1 to decrease its LogP value.,CC(=O)C(F)(F)c1cc(=O)n(CCCc2ccccc2)[nH]1
MR,Optimize the molecule CC(C)CCC[NH2+]CC(O)C[NH+]1CCCC1 to have a higher MR value.,CC(C)CCC[NH2+]CC(C[NH+]1CCCC1)C(=O)[OH]
QED,Please modify the molecule CN(C)c1cccc(NCc2ccc(Cl)cc2)c1 to decrease its QED value.,CN(C)c1cccc(NCc2ccc(O)cc2)c1
AtomNum,"The molecule has 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)CC1[NH2+]C(C)N(C2CC3CCCC(C2)[NH+]3C)C1=O
BondNum,"The molecule contains 20 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",[NH3+]C1CCC2CN(C(=O)c3cccc(S(=O)(=O)NC4CCCC4)c3)CC12
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 ketone group, and 1 halo group.",O=C(C=Cc1cccc(Br)c1)c1n[nH]nc1-c1ccccc1
AddComponent,Modify the molecule COc1ccc(CN(C)S(=O)(=O)c2ccc(OC(C)C(=O)NCC(C)C)cc2)cc1 by adding a hydroxyl.,COc1ccc(CN(C)S(=O)(=O)c2ccc(OC(C)C(=O)NCC(C)C)c(O)c2)cc1
SubComponent,Modify the molecule CC1(C)COC2(CCC3=C4C(c5ccc(C[NH3+])cc5)CC5(C)C(CCC5(O)CF)C4CCC3C2)OC1 by substituting a halo with a aldehyde.,CC(=O)CC1(O)CCC2C3CCC4CC5(CCC4=C3C(c3ccc(C[NH3+])cc3)CC21C)OCC(C)(C)CO5
DelComponent,Modify the molecule Cc1sc2nc(CC[NH3+])nc(N(C)CCc3ccccc3)c2c1C by removing a benzene ring.,CCN(C)c1nc(CC[NH3+])nc2sc(C)c(C)c12
LogP,Modify the molecule CC(C)Cn1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21 to decrease its LogP value.,CC(C)Cn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21
MR,Please optimize the molecule CN(Cc1ccco1)C(=O)COc1ccc(C=O)cc1 to have a lower MR value.,CN(Cc1ccco1)C(=O)COC=O
QED,Modify the molecule CC1C2CC(C1C)C(C(O)(S(C)(=O)=O)S(C)(=O)=O)C2 to decrease its QED value.,CC(=O)C(C1CC2CC1C(C)C2C)(S(C)(=O)=O)S(C)(=O)=O
AtomNum,"There is a molecule with 13 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COc1ccc(C=CC(=O)[O-])cc1S(=O)(=O)N(C)CCO
BondNum,"Please generate a molecule composed of 9 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",O=C([O-])c1cc(-c2cc3c(cc2Br)CCCC3)n[nH]1
FunctionalGroup,"The molecule has 1 amine group, 2 halo groups, 1 sulfide group, and 1 sulfone group.",CC(CNS(=O)(=O)c1cc(Cl)c(Br)s1)[NH+]1CCCC1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(C(=O)N(CC(N)=O)C2CC[NH2+]C2)cc1C.,Cc1ccc(C(=O)N(CC(N)=O)C2CC[NH2+]C2O)cc1C
SubComponent,Substitute a halo in the molecule Cc1c(-c2ccc(Br)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Br)cc1 with a aldehyde.,CC(=O)c1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(Br)cc3)c2C)cc1
DelComponent,Modify the molecule CC(C)C(O)C[NH2+]C1CCCCCC1O by removing a hydroxyl.,CC(C)C(O)C[NH2+]C1CCCCCC1
LogP,Optimize the molecule CC1(C)CCC(C)(C)c2cc(C(=O)C(F)F)ccc21 to have a lower LogP value.,CC1(C)CCC(C)(C)c2cc(C(=O)C(F)C(=O)[OH])ccc21
MR,Optimize the molecule CC(C)Oc1ccccc1NC(=O)NCCC[NH+](C)C to have a higher MR value.,CC(C)Oc1ccccc1NC(=O)NCC(O)C[NH+](C)C
QED,Optimize the molecule CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc5c6ccccc6n(-c6ccc7ccccc7c6)c45)cc3)cc21 to have a higher QED value.,CC1(C)c2ccccc2-c2ccc(-c3cccc4c5ccccc5n(-c5ccc6ccccc6c5)c34)cc21
AtomNum,"The molecule has 15 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCC[NH+]1CCC(Nc2nc(C)ccc2C(=O)[O-])CC1
BondNum,"Please generate a molecule consisting 6 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC(=O)c1cc(Oc2cccnc2)ccc1[N+](=O)[O-]
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 3 halo groups.",CCC1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1
AddComponent,Modify the molecule CC(C)n1c(C2CCCN2S(=O)(=O)c2cnnn2C)nc2ccccc21 by adding a hydroxyl.,CC(C)n1c(C2CCCN2S(=O)(=O)c2cnnn2C)nc2ccc(O)cc21
SubComponent,Please substitute a CCc1cnc(-c2ccc(C(F)(F)F)cc2)nc1Oc1csc(S(=O)(=O)C(F)(F)F)c1 in the molecule halo with a carboxyl.,CCc1cnc(-c2ccc(C(F)(F)C(=O)[OH])cc2)nc1Oc1csc(S(=O)(=O)C(F)(F)F)c1
DelComponent,Please remove a Cc1sc(CNc2cccc3cn[nH]c23)cc1Br from the molecule halo.,Cc1ccc(CNc2cccc3cn[nH]c23)s1
LogP,Please modify the molecule CC(C)(C)c1ccc(CC2(CCl)CCC2)cc1 to decrease its LogP value.,CC(C)(C)c1ccc(CC2(CCl)CCC2O)cc1
MR,Please optimize the molecule CCN(CC)c1ccc(N=C2SC(=[N+]3CCOCC3)N=C2C)cc1 to have a higher MR value.,CCN(CC)c1ccc(N=C2SC(=[N+]3CCOCC3)N=C2C)cc1O
QED,Optimize the molecule C=CC1CC1(NC(=O)C1CC(Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)C(NC(=O)[O-])C(C)(C)CC(C)(C)C)C(=O)NS(=O)(=O)C1CC1 to have a higher QED value.,C=CC1CC1(NC(=O)C1CC(Oc2ncc(OC)c3ccccc23)CN1C(=O)C(NC(=O)[O-])C(C)(C)CC(C)(C)C)C(=O)NS(=O)(=O)C1CC1
AtomNum,"The molecule is composed of 13 carbon atoms, 1 nitrogen atom, and 3 chlorine atoms.",CC(C)(C)[NH2+]CC=Cc1c(Cl)ccc(Cl)c1Cl
BondNum,"Please generate a molecule composed of 11 single bonds, 3 double bonds, 6 rotatable bonds, and 23 aromatic bonds.",Cc1cc2cc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)c(Cl)c3)c(=O)[nH]c2cc1C
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 4 hydroxyl groups, 21 amide groups, and 6 amine groups.",CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCC[NH3+])NC(=O)C(CCCC[NH3+])NC(=O)C(NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CCCC[NH3+])NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(=O)[O-])NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])Cc1cnc[nH]1)C(C)O)C(C)O)C(C)C)C(N)=O
AddComponent,Modify the molecule Cc1nnc2cc1CCCCCCCCC2 by adding a benzene ring.,Cc1nnc2cc1C(c1ccccc1)CCCCCCCC2
SubComponent,Modify the molecule halo by substituting a O=C(NCC1CCCO1)C1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccco1 with a nitro.,ONc1cccc(C(=O)N2CCC3(CC2)OCC(C(=O)NCC2CCCO2)N3C(=O)c2ccco2)c1
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(CC([NH3+])Cc2csc(C)n2)c1.,CCC([NH3+])Cc1csc(C)n1
LogP,Optimize the molecule COC1CC(CC(=O)[O-])N(C(=O)CCNC(=O)c2ccc3ccccc3c2)C1 to have a lower LogP value.,COC1CC(CC(=O)[O-])N(C(=O)CCNC(=O)c2ccc3cc(O)ccc3c2)C1
MR,Please optimize the molecule CC(C)CCN(CC(O)C(Cc1ccc(F)cc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C to have a lower MR value.,CC(C)CCN(CC(O)C(Cc1ccc(F)cc1)N(CC(N)=O)C(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C
QED,Optimize the molecule Nc1nc(=O)n2ccn(C3OC(CO)C(O)C3([NH3+])O)c2n1 to have a lower QED value.,Nc1nc(=O)n2cc(CC=O)n(C3OC(CO)C(O)C3([NH3+])O)c2n1
AtomNum,"The molecule consists of 13 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 fluorine atom.",Cn1ccnc1CNC(=O)c1nc2ccc(F)cc2[nH]1
BondNum,"There is a molecule consisting of 22 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1N1CC[NH+](CCCNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, 1 amide group, and 1 halo group.",O=C1COc2ccc(N3CC(C[NH2+]C4CN(c5nc6c(cc5F)c(=O)c(OC(=O)[O-])cn6CCO)C4)OC3=O)nc2N1
AddComponent,Please add a hydroxyl to the molecule CCc1nn(CC)c(CC(CCl)CC(C)C)c1Br.,CCc1nn(CC)c(CC(CCl)CC(C)CO)c1Br
SubComponent,Substitute a hydroxyl in the molecule CCCn1ncc(OC)c1C(O)CCCOCC with a halo.,CCCn1ncc(OC)c1C(F)CCCOCC
DelComponent,Please remove a halo from the molecule CCC(C)CC(=O)NC(Nc1n[nH]c2cc(Cl)ccc12)=[NH+]C(C)COC.,CCC(C)CC(=O)NC(Nc1n[nH]c2ccccc12)=[NH+]C(C)COC
LogP,Modify the molecule CCC(C)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)[O-])NC(=O)C1CCC[NH2+]1)C(=O)[O-] to have a higher LogP value.,CCC(C)C(Cc1cnc[nH]1)(NC(=O)C(CC(=O)[O-])NC(=O)C1CCC[NH2+]1)C(=O)[O-]
MR,Modify the molecule CC(=O)N1CCc2c(sc(NC(=O)C(Sc3cccc(NC(=O)C(=Cc4ccc(N(C)C)cc4)NC(=O)c4ccccc4)c3)c3ccccc3)c2C#N)C1 to have a lower MR value.,CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(SC(C(=O)Nc3sc4c(c3C#N)CCC4)c3ccccc3)c2)cc1
QED,Modify the molecule CCCNC(=O)C1C2C(=O)N(C(CO)CC(C)C)C(C(=O)Nc3ccccc3Cl)C23CC(C)C1(C)O3 to have a higher QED value.,CCC1C2C(=O)N(C(CO)CC(C)C)C(C(=O)Nc3ccccc3Cl)C23CC(C)C1(C)O3
AtomNum,"The molecule contains 21 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",CC(C)CC(NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1ccccc1
BondNum,"The molecule is composed of 16 single bonds, 5 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1ccc(N2C(=O)CCCC2=O)cc1S(=O)(=O)NC1=NCCS1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ketone group, and 1 amide group.",Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1
AddComponent,Add a hydroxyl to the molecule Cc1cc2ncc(C[NH2+]CCCn3cccn3)cn2n1.,Cc1cc2ncc(C[NH2+]CCCn3ccc(O)n3)cn2n1
SubComponent,Substitute a COC(=O)Cc1nnc(-c2[nH]ncc2Br)o1 in the molecule halo with a aldehyde.,CC(=O)c1cn[nH]c1-c1nnc(CC(=O)OC)o1
DelComponent,Please remove a hydroxyl from the molecule Cc1cnc(N)c(C(O)C2CCC(C)C2)c1.,Cc1cnc(N)c(CC2CCC(C)C2)c1
LogP,Optimize the molecule CN1CCCN(c2ccc(Cl)cc2)CC1CC#N to have a higher LogP value.,CC1CN(c2ccc(Cl)cc2)CCCN1C
MR,Optimize the molecule CCC(C)Nc1ccsc1[N+](=O)[O-] to have a lower MR value.,CCC(C)c1ccsc1[N+](=O)[O-]
QED,Please optimize the molecule COCC1(C[NH+]2CCCCCC2)CC[NH2+]CC1 to have a higher QED value.,COCC1(C[NH+]2CCCCCC2c2ccccc2)CC[NH2+]CC1
AtomNum,"The molecule consists of 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 chlorine atom.",Cc1c(Cl)cnn1CCCCC(C)(CO)[NH2+]C1CC1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 6 rotatable bonds, and 18 aromatic bonds.",CC(C)Oc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3F)ccn2)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 halo groups.",C[NH2+]C(c1cnccc1C)c1ccc(Br)cc1Br
AddComponent,Please add a benzene ring to the molecule CCC[NH+](CCC(C)[NH2+]C)CCN(C)C.,C[NH2+]C(C)CC[NH+](CCN(C)C)CC(C)c1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(CC1CCCC[NH2+]1)c1ccc(Cl)cc1 with a nitro.,ONc1ccc(C(=O)CC2CCCC[NH2+]2)cc1
DelComponent,Modify the molecule Cc1ccc(-c2cn3c(CC(=O)NCC4CCCO4)csc3[nH+]2)cc1 by removing a benzene ring.,Cc1cn2c(CC(=O)NCC3CCCO3)csc2[nH+]1
LogP,Modify the molecule CC[NH+]1C2=C(c3ccc(N)cc3C1c1ccccc1)C(Br)C(Br)C([NH3+])=C2 to decrease its LogP value.,CC[NH+]1C2=C(c3ccc(N)cc3C1c1ccccc1)C(C(=O)[OH])C(Br)C([NH3+])=C2
MR,Optimize the molecule CC(C)N1CCC(N(C)OCc2ccccc2)C1=O to have a lower MR value.,CON(C)C1CCN(C(C)C)C1=O
QED,Modify the molecule COc1ccc(C2CCC(C(=O)c3c(C4CC4)ccc4cncn34)CC2)c(Cl)c1 to increase its QED value.,COc1ccc(C2CCC(C(=O)c3c(C4CC4)ccc4cncn34)CC2)cc1
AtomNum,"There is a molecule with 22 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCOc1ccc(OCC(=O)Nc2ccc3c4c(c(=O)[nH]c3c2)CCC4)cc1
BondNum,"Please generate a molecule with 16 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CNc1cc(N2CCC3CCCCC3C2)nc(SC)n1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ketone group, and 1 amine group.",Cn1cc(CC(=O)c2cccc(N)c2)nn1
AddComponent,Please add a benzene ring to the molecule CC[NH+]1CCC2(CC1)C(N)=[NH+]C(=O)N2C1CC1.,CC[NH+]1CCC2(C(N)=[NH+]C(=O)N2C2CC2)C(c2ccccc2)C1
SubComponent,Modify the molecule CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)C(CSCCCCC(=O)OC)C(=O)N(C)C(CC(C)(C)O)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C by substituting a hydroxyl with a thiol.,CC=CCC(C)C(S)C1C(=O)NC(CC)C(=O)N(C)C(CSCCCCC(=O)OC)C(=O)N(C)C(CC(C)(C)O)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C
DelComponent,Remove a CC=CC(=CC)N(N)C1CCCCC1 from the molecule amine.,CC=CC(=CC)NC1CCCCC1
LogP,Please modify the molecule CC(C)(C)c1cnc(CC[NH+]2CCc3cc(S(=O)(=O)Nc4ccc(F)cc4)ccc3C2)nc1 to decrease its LogP value.,CC(C)(C)c1cnc(CC[NH+]2CCc3c(ccc(S(=O)(=O)Nc4ccc(F)cc4)c3N)C2)nc1
MR,Please optimize the molecule COCCC1(CNC(=O)c2cc([S-])ccc2C)CC1 to have a lower MR value.,COCCC1(CNC(=O)[S-]C)CC1
QED,Optimize the molecule O=C(Nc1cc(-n2cnnn2)ccc1Cl)C1CC(=O)N(c2ccccc2)C1 to have a lower QED value.,O=C(Nc1cc(-n2cnnn2)ccc1O)C1CC(=O)N(c2ccccc2)C1
AtomNum,"The molecule has 14 carbon atoms, and 4 oxygen atoms.",COc1cc(C(C)=O)ccc1OCCOC(C)C
BondNum,"There is a molecule consisting of 11 single bonds, 1 double bond, 3 rotatable bonds, and 18 aromatic bonds.",CC1C(C=O)C2(c3ccccc3)OC1(c1ccccc1)c1ccccc12
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 2 amide groups, and 2 halo groups.",CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)CCO
AddComponent,Please add a benzene ring to the molecule O=S(=O)(Nc1cc(Cl)c(F)cc1O)c1ccc(Cl)cc1.,O=S(=O)(Nc1cc(Cl)c(F)c(-c2ccccc2)c1O)c1ccc(Cl)cc1
SubComponent,Substitute a hydroxyl in the molecule CN1C(=O)C(C(O)O)N(C)C1=O with a carboxyl.,CN1C(=O)C(C(O)C(=O)[OH])N(C)C1=O
DelComponent,Please remove a halo from the molecule CC(=O)NC(Cc1ccccc1F)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)[O-].,CC(=O)NC(Cc1ccccc1F)C(=O)NC(Cc1ccccc1)C(=O)[O-]
LogP,Optimize the molecule C[NH+](C)CC(=O)N1CC(C)(C)[NH2+]CC1Cc1ccccc1 to have a higher LogP value.,C[NH+](C)CC(=O)N1CC(C)(C)[NH2+]CC1Cc1cccc(S)c1
MR,Modify the molecule O=C([O-])Cc1noc(Cc2ccc(F)cc2)n1 to have a higher MR value.,O=C([O-])Cc1noc(Cc2ccc(C(=O)[OH])cc2)n1
QED,Modify the molecule CC(C)CCc1c(N)c(OB(Oc2ccccc2)Oc2ccccc2)c(CCC(C)C)c(CCC(C)C)c1CCC(C)C to have a lower QED value.,CC(C)CCc1c(CCC(C)CCC=O)c(N)c(OB(Oc2ccccc2)Oc2ccccc2)c(CCC(C)C)c1CCC(C)C
AtomNum,"The molecule has 72 carbon atoms, and 6 nitrogen atoms.",c1cnc2c(c1)ccc1ccc(-c3ccc4c5ccc(-c6ccc7cc(-c8cccc9c%10ccc(-c%11ccc%12ccc%13cccnc%13c%12n%11)cc%10c%10ccccc%10c89)c8cccnc8c7n6)cc5c5ccccc5c4c3)nc12
BondNum,"The molecule contains 9 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)Cc1ccccc1OC(=O)c1ccc(Cl)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 2 halo groups.",O=C1Oc2c(Cl)cc(Cl)cc2CN1c1ccccc1
AddComponent,Add a hydroxyl to the molecule CC(C)(C)c1ccc(OCc2nnc(SCc3cc(Cl)cc4c3OCOC4)n2N)cc1.,CC(C)(C)c1ccc(OC(O)c2nnc(SCc3cc(Cl)cc4c3OCOC4)n2N)cc1
SubComponent,Modify the molecule halo by substituting a Cc1cc(C(=O)NC(C)C(C)CCl)co1 with a nitrile.,Cc1cc(C(=O)NC(C)C(C)CC#N)co1
DelComponent,Modify the molecule benzene ring by removing a COc1ccccc1C=CC(=O)Nc1cc(C)nn1-c1nc2ccccc2[nH]1.,COC=CC(=O)Nc1cc(C)nn1-c1nc2ccccc2[nH]1
LogP,Please modify the molecule CC(Cc1ccccc1Cl)[NH2+]Cc1ccc(F)cc1Cl to decrease its LogP value.,CC(Cc1ccccc1Cl)[NH2+]Cc1ccccc1Cl
MR,Optimize the molecule Cn1cc(CNC(=O)C2CCCCCC[NH2+]2)cn1 to have a lower MR value.,Cn1cc(C2CCCCCC[NH2+]2)cn1
QED,Please modify the molecule COCCN(C(=O)Cc1c(F)cccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 to increase its QED value.,COCCN(C(=O)Cc1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1
AtomNum,"There is a molecule with 12 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",COC(=O)Nc1ccc(N2CCCCS2(=O)=O)c(Cl)c1
BondNum,"Please generate a molecule consisting 17 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(C[NH+]2CCC3C(C2)C(c2ccsc2)CN3C(=O)c2ccc(F)cc2)cc1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 halo group.",CC(Cl)C(=O)N1CC2CCC1CC2
AddComponent,Please add a hydroxyl to the molecule CNCC[NH2+]Cc1ccc(C)nc1C.,CNCC[NH2+]Cc1ccc(CO)nc1C
SubComponent,Please substitute a Brc1ccccc1OCCNc1ccccc1 in the molecule halo with a nitro.,ONc1ccccc1OCCNc1ccccc1
DelComponent,Please remove a benzene ring from the molecule CCOC(=O)C1CC[NH+](Cc2ccc(C)cc2)C1.,CCOC(=O)C1CC[NH+](CC)C1
LogP,Optimize the molecule CC[NH+](CC)Cc1cc(C(=O)c2csc(S(N)(=O)=O)c2)ccc1O to have a higher LogP value.,CC[NH+](CC)Cc1cc(C(=O)c2csc([SH](=O)=O)c2)ccc1O
MR,Modify the molecule CC(=O)C(=Cc1ccccc1Br)Cc1c[nH]c2ccc(Br)cc12 to decrease its MR value.,CC(=O)C(=Cc1ccccc1)Cc1c[nH]c2ccc(Br)cc12
QED,Please optimize the molecule CCCCCC(Br)C(=O)c1cc(C)ccc1O to have a lower QED value.,CCCCCC(Br)C(=O)c1cc(C)ccc1S
AtomNum,"There is a molecule with 33 carbon atoms, 10 oxygen atoms, 4 nitrogen atoms, 2 sulfur atoms, and 2 chlorine atoms.",CCOC(=O)c1cc2c(cc1Cl)N(CC)C(=CC=Cc1n(CC)c3cc(Cl)c(C(=O)OCC)cc3[n+]1CCCS(=O)(=O)O)N2CCCS(=O)(=O)O
BondNum,"Please generate a molecule consisting 15 single bonds, 1 double bond, 9 rotatable bonds, and 17 aromatic bonds.",CC(Sc1nnc(SCc2ccc(C(C)C)cc2)s1)C(=O)Nc1ccc(N(C)C)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ketone group, 4 halo groups, and 1 sulfide group.",CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2ccc(F)c(C(=O)C(=C[NH+](C)C)C(=O)[O-])c2)cn1
AddComponent,Add a hydroxyl to the molecule CCNC(=NCC[NH+]1CCCN(C)CC1)NC1CCC(C(C)C)CC1.,CC(C)C1CCC(NC(=NCC[NH+]2CCCN(C)CC2)NCCO)CC1
SubComponent,Modify the molecule nitro by substituting a O=C(CCc1ccc([N+](=O)[O-])cc1)NN1CCOC1=O with a thiol.,O=[SH]c1ccc(CCC(=O)NN2CCOC2=O)cc1
DelComponent,Modify the molecule amide by removing a C[NH+](C)CCCNC(=O)CCc1ccc(-c2ccccc2Br)o1.,C[NH+](C)CCCCc1ccc(-c2ccccc2Br)o1
LogP,Please optimize the molecule CC(C=CCCc1ccccc1)c1ccc(Cl)cc1 to have a lower LogP value.,CC(Cl)C=CCCc1ccccc1
MR,Modify the molecule CC(=CC=O)CCCCC(C)C to have a lower MR value.,CCCCCCC(C)C
QED,Modify the molecule Cc1c(-c2cn3nc(Cl)cc(N)c3[nH+]2)cnn1-c1ccccc1 to decrease its QED value.,Cc1c(-c2cn3nc(Cl)c(-c4ccccc4)c(N)c3[nH+]2)cnn1-c1ccccc1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COC(=O)c1ccc(C(C)(C)C)c(NC(=O)C(CCCC[NH3+])NC(C)=O)c1
BondNum,"There is a molecule consisting of 12 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",CN1CC[NH+](CCNc2nc3ccc(F)cn3n2)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 halo group.",CCC([NH2+]C)c1cc(OC)c(Br)cc1OC
AddComponent,Modify the molecule Cc1cc(CC(NN)c2ccc(Br)c(C)c2)n(C)n1 by adding a hydroxyl.,Cc1cc(CC(NN)c2cc(C)c(Br)cc2O)n(C)n1
SubComponent,Substitute a hydroxyl in the molecule CCC(C)(C)C(=O)NCCSCCCO with a aldehyde.,CC(=O)CCCSCCNC(=O)C(C)(C)CC
DelComponent,Modify the molecule halo by removing a C[NH2+]CC(CCCCOC)Cc1cccc(Br)c1.,C[NH2+]CC(CCCCOC)Cc1ccccc1
LogP,Modify the molecule C=CC[NH+]1CC(=O)N2C(Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5cnc6ccccc6c5)cn(C)c34)CC2N1C(=O)NCc1ccccc1 to increase its LogP value.,C=CC[NH+]1CC(=O)N2C(Cc3ccccc3)C(=O)N(Cc3cccc4c(-c5cnc6ccccc6c5)cn(C)c34)CC2N1C(=O)NCc1ccccc1
MR,Modify the molecule O=C(C1CSC[NH2+]1)N(Cc1ccc(F)cc1)C1CC1 to decrease its MR value.,Fc1ccc(CC2(C3[NH2+]CS3)CC2)cc1
QED,Modify the molecule C=C1CC(O)C=CCC(CC=CC2CC(C)=CCO2)OC(=O)C=CCC2C=CCC(CC(C)C1)O2 to decrease its QED value.,C=C1CC(O)C=CCC(CC=CC2CC(C)=CCO2)OC(=O)C=C(C(=O)O)CC2C=CCC(CC(C)C1)O2
AtomNum,"The molecule is composed of 20 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 sulfur atom, and 2 bromine atoms.",CC(C)(C)c1ccc(CSc2nncn2N=Cc2cc(Br)c([O-])c(Br)c2)cc1
BondNum,"Please generate a molecule consisting 20 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)C(=O)Nc1nccnc1C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1
FunctionalGroup,"The molecule consists of 1 amide group, 3 halo groups, and 1 sulfide group.",O=C(c1cc(-c2ccco2)on1)N(Cc1ccccn1)c1nc2c(C(F)(F)F)cccc2s1
AddComponent,Modify the molecule COC(=O)c1c[nH]n2c([O-])c(-c3ccc(C#N)cc3Cl)c(=O)nc12 by adding a amine.,COC(=O)c1c[nH]n2c([O-])c(-c3c(N)cc(C#N)cc3Cl)c(=O)nc12
SubComponent,Modify the molecule halo by substituting a O=C([O-])c1ccc(COc2cc(Br)cc(F)c2F)c(Cl)c1 with a nitro.,ONc1cc(F)c(F)c(OCc2ccc(C(=O)[O-])cc2Cl)c1
DelComponent,Remove a hydroxyl from the molecule CCNC(NC1CCN(c2ccccc2)CC1)=[NH+]CC(O)c1ccc(F)cc1.,CCNC(NC1CCN(c2ccccc2)CC1)=[NH+]CCc1ccc(F)cc1
LogP,Modify the molecule BrCc1cc(OC2CCCCO2)cc(OC2CCCCO2)c1 to have a lower LogP value.,O=C(O)C1CCCOC1Oc1cc(CBr)cc(OC2CCCCO2)c1
MR,Optimize the molecule CON=Cc1ccc(OC)c(OCCC2CCN(c3ccc(Cl)nn3)CC2)c1 to have a lower MR value.,CON=Cc1ccc(OC)c(OCCC2CCN(c3ccc(O)nn3)CC2)c1
QED,Modify the molecule CCOC1(C(O)c2ccccc2)CCCC1 to have a lower QED value.,CCOC1(C(S)c2ccccc2)CCCC1
AtomNum,"There is a molecule consisting of 30 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",O=Cc1cc(=O)n(N2CCOCC2)c2cc(OCCCC[NH+]3CCN(c4cccc5sccc45)CC3)ccc12
BondNum,"The molecule has 30 single bonds, 2 double bonds, and 26 rotatable bonds.",CCCCCCCCCCCCCOC(=O)CC(=O)OCCCCCCCCCCCCC
FunctionalGroup,"The molecule consists of 1 halo group, and 1 sulfone group.",O=S(=O)(Cl)c1ccc2nc(C3CCC3)[nH]c2c1
AddComponent,Modify the molecule C=CCNc1nnc(SCC(=O)N2CCC(C)Sc3ccccc32)s1 by adding a benzene ring.,C=C(CNc1nnc(SCC(=O)N2CCC(C)Sc3ccccc32)s1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CS(=O)c3ccc(Br)cc3)o2)CC1 with a nitro.,Cc1ccc(NO)cc1N1CCN(C(=O)c2ccc(CS(=O)c3ccc(Br)cc3)o2)CC1
DelComponent,Remove a halo from the molecule CNc1nc(N2CCC([NH3+])CC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2n1.,CNc1nc(N2CCC([NH3+])CC2)c2sc(-c3ccc(C(F)F)cc3)cc2n1
LogP,Please modify the molecule CC(c1ccccc1O)N(C)C(=O)CCC1CCCC[NH2+]1 to increase its LogP value.,CC(c1ccccc1I)N(C)C(=O)CCC1CCCC[NH2+]1
MR,Modify the molecule O=C(NCc1ccccc1N1CCCC1=O)c1ccccc1Cl to have a lower MR value.,O=C(NCc1ccccc1N1CCCC1=O)c1ccccc1
QED,Modify the molecule Cc1cc(OCC(=O)OC(C)C(=O)Nc2ccc3c(c2)OCO3)ccc1C(C)C to have a higher QED value.,Cc1cc(OCC(=O)OCc2ccc3c(c2)OCO3)ccc1C(C)C
AtomNum,"Please generate a molecule consisting 33 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 7 fluorine atoms.",COc1cc(F)c(CC(C)(C)C(=O)[O-])cc1C1=C(CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)CC(C)(C)CC1
BondNum,"Please generate a molecule composed of 13 single bonds, 3 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",Cc1c(C(=O)C(=O)[O-])c2n(c1C(=O)Nc1ccc(F)c(F)c1)CCC2
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 2 amide groups.",CC(C)c1ccc(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)cc1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(F)c(C(=O)N2CCCC2c2nc(N(C)C)no2)c1.,Cc1ccc(F)c(C(=O)N2CCCC2(O)c2nc(N(C)C)no2)c1
SubComponent,Modify the molecule CCCCC(C(=O)[O-])C(O)c1cncn1C by substituting a hydroxyl with a halo.,CCCCC(C(=O)[O-])C(Cl)c1cncn1C
DelComponent,Remove a CC1CC(C)C(C)N(S(=O)(=O)c2ccc(CO)cc2)C1 from the molecule hydroxyl.,Cc1ccc(S(=O)(=O)N2CC(C)CC(C)C2C)cc1
LogP,Optimize the molecule CCCCCCOCC(O)C[NH2+]CC1(C)CCC1 to have a lower LogP value.,CCCCCCOCC(O)C[NH2+]CC1(C)CCC1CC=O
MR,Modify the molecule CC(O)(C[NH2+]CC1CCOC1)C1CCCC1 to have a lower MR value.,CC(C[NH2+]CC1CCOC1)C1CCCC1
QED,Please optimize the molecule [NH3+]C1CCCC(C(=O)NCCNC(=O)c2cccnc2)C1 to have a lower QED value.,[NH3+]C1CCCC(C(=O)NCCNC(=O)c2cnccc2C(=O)O)C1
AtomNum,"Please generate a molecule with 13 carbon atoms, 3 nitrogen atoms, and 1 chlorine atom.",CCCCN(CC)c1ncnc(Cl)c1CCC
BondNum,"Please generate a molecule composed of 8 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",COc1cc(CO)cc(Cl)c1OCc1cncs1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 3 amine groups.",CCc1ccccc1CNC(NCc1ccn[nH]1)=[NH+]C
AddComponent,Add a benzene ring to the molecule CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1N1CCOCC1.,CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1N1CCOC(c2ccccc2)C1
SubComponent,Substitute a CC(C)(CNC(=O)CCc1ccccc1Cl)C(N)=O in the molecule halo with a hydroxyl.,CC(C)(CNC(=O)CCc1ccccc1O)C(N)=O
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(NC(=O)C(CCCC[NH3+])NC(=O)c2cc(NC(=O)C(CCCC[NH3+])NC(=O)c3cc(NC(=O)C(CCCC[NH3+])NC(=O)c4cc(NC(=O)C(CCCC[NH3+])NC(=O)C([NH3+])Cc5ccccc5)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O.,COc1ccc(NC(=O)C(CCCC[NH3+])NC(=O)c2cc(NC(=O)C(CCCC[NH3+])NC(=O)c3cc(NC(=O)C(CCCC[NH3+])NC(=O)c4cc(NC(=O)C(CCCC[NH3+])NC(=O)C(C)[NH3+])ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O
LogP,Please optimize the molecule CCC[NH2+]CC1CC[NH+](C)C1c1ncc(Br)cc1Br to have a lower LogP value.,CCC[NH2+]CC1CC[NH+](C)C1c1ncc(S)cc1Br
MR,Optimize the molecule CN(c1ccccc1)c1nc2cc(-c3nn[n-]n3)ccc2n2cccc12 to have a lower MR value.,CNc1nc2cc(-c3nn[n-]n3)ccc2n2cccc12
QED,Modify the molecule CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[n+]3csc(CCOC=O)c3C)CSC12)c1csc(N)n1 to increase its QED value.,CON=C(C(=O)NC1SCC(C[n+]2csc(CCOC=O)c2C)=C1C(=O)O)c1csc(N)n1
AtomNum,"The molecule is composed of 21 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1cc(C=CC(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)n1-c1nccs1
BondNum,"Please generate a molecule consisting 15 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",O=C(NC1CCN(C(=O)c2ccccn2)C1)C1Cc2cc(Cl)ccc2O1
FunctionalGroup,There is a molecule composed of and 2 benzene ring groups.,CCOC(C)OCCOc1ccc(C=CC=Cc2ccc(OC(C)(C)C)cc2)cc1
AddComponent,Please add a benzene ring to the molecule CCSCCOc1cccc(C[NH2+]CCOC)c1.,COCC[NH2+]Cc1cccc(OCCSCCc2ccccc2)c1
SubComponent,Modify the molecule hydroxyl by substituting a Cn1nc(C[NH2+]C(C)(C)CCO)c2ccccc21 with a aldehyde.,CC(=O)CCC(C)(C)[NH2+]Cc1nn(C)c2ccccc12
DelComponent,Please remove a benzene ring from the molecule NNc1ccc(C(=O)N2CCCS(=O)(=O)CC2)cc1.,NNC(=O)N1CCCS(=O)(=O)CC1
LogP,Modify the molecule O=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1Cl to increase its LogP value.,O=[N+]([O-])c1cc(C(SC=S)c2ccccc2Cl)ccc1Sc1ccc(Cl)cc1
MR,Optimize the molecule C[NH+]=C(N)C=CN(C=O)C1OC(COP(NC(C)C(=O)OC)Oc2ccccc2)CC1(C)C to have a higher MR value.,C[NH+]=C(N)C=CN(C=O)C1OC(COP(NC(C)C(=O)OC)Oc2ccccc2O)CC1(C)C
QED,Please modify the molecule CC1(C)CC[NH+](CCC(=O)c2cccc(F)c2F)C1 to decrease its QED value.,CC1(C)CC[NH+](CCC(=O)c2cccc(NO)c2F)C1
AtomNum,"The molecule has 46 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, and 1 phosphorus atom.",CCOP(=O)(CCCCN(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1
BondNum,"The molecule is composed of 19 single bonds, and 7 rotatable bonds.",CCCCCC(C)(C)CN1CC(C(C)C)[NH2+]CC1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfide group.",CC(C(=O)NN=Cc1ccccc1F)n1cnc2sc3c(c2c1=O)CCCC3
AddComponent,Add a hydroxyl to the molecule Nc1nc2c(F)cccc2n1CC1C[NH+]2CCCC2CO1.,Nc1nc2c(F)cccc2n1CC1C[NH+]2CCCC2(O)CO1
SubComponent,Please substitute a halo in the molecule COC(=O)c1cc(C(C)C)sc1NC(=O)Cc1c(Cl)cccc1Cl with a carboxyl.,COC(=O)c1cc(C(C)C)sc1NC(=O)Cc1c(Cl)cccc1C(=O)[OH]
DelComponent,Modify the molecule amine by removing a CCCNC(=O)COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C.,CCCNC(=O)COC(=O)c1cc(S(=O)(=O)Cc2ccccc2)ccc1C
LogP,Optimize the molecule CC1CCN(c2ccc(NC(=O)COC(=O)c3cc(=O)[nH]c4ccccc34)cc2)CC1 to have a higher LogP value.,CC1CCN(c2ccc(OC(=O)c3cc(=O)[nH]c4ccccc34)cc2)CC1
MR,Modify the molecule O=C1C(=CNc2c(-c3ccc(O)cc3)cccc2-c2ccc(O)cc2)C(=O)C(=CNc2c(-c3ccc(O)cc3)cccc2-c2ccc(O)cc2)C(=O)C1=CNc1c(-c2ccc(O)cc2)cccc1-c1ccc(O)cc1 to decrease its MR value.,O=C1C(=CNc2c(-c3ccc(O)cc3)cccc2-c2ccc(O)cc2)C(=O)C(=Cc2c(-c3ccc(O)cc3)cccc2-c2ccc(O)cc2)C(=O)C1=CNc1c(-c2ccc(O)cc2)cccc1-c1ccc(O)cc1
QED,Please modify the molecule COc1c(I)cc(NC(=O)OCCCl)cc1C(C)(C)C to decrease its QED value.,COc1c(NO)cc(NC(=O)OCCCl)cc1C(C)(C)C
AtomNum,"There is a molecule with 12 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCC(C)C(NC(=O)c1nc(C)[nH]c1C)C(=O)[O-]
BondNum,"The molecule contains 20 single bonds, 2 double bonds, 2 rotatable bonds, and 5 aromatic bonds.",CC(=O)N(C)C1COC2CCN(C(=O)c3cnc[nH]3)CC2CC1(C)O
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 halo group, and 1 sulfide group.",CC(C)CCC(Cl)Cc1nc(-c2ccccc2)cs1
AddComponent,Please add a amine to the molecule CCCCC(C=O)CC(=O)[O-].,CC(N)CCC(C=O)CC(=O)[O-]
SubComponent,Modify the molecule hydroxyl by substituting a CC(=O)OC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O)CC(C(C)C(CC=C(C)C(=O)[O-])OC(C)=O)C1(C)CC2 with a nitro.,CC(=O)OC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(NO)CC(C(C)C(CC=C(C)C(=O)[O-])OC(C)=O)C1(C)CC2
DelComponent,Remove a halo from the molecule COc1ccccc1-c1cnn2c(Cl)c3c(nc12)CCCC3.,COc1ccccc1-c1cnn2cc3c(nc12)CCCC3
LogP,Modify the molecule CCOC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3cc(OC)c(OC)cc32)cc1 to decrease its LogP value.,CCOC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3cc(OC)c(OCN)cc32)cc1
MR,Modify the molecule Fc1cc(Cl)ccc1C[NH2+]CC1CCC(Cl)C1 to have a higher MR value.,Oc1cc(C[NH2+]CC2CCC(Cl)C2)c(F)cc1Cl
QED,Optimize the molecule CCOC(CCn1c2c(c3cc(C#N)ccc31)CCCC2)OCC to have a higher QED value.,CCOC(CCn1c2c(c3cc(C(=O)[OH])ccc31)CCCC2)OCC
AtomNum,"There is a molecule consisting of 22 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",Cc1ccc(C=NNc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)cc1
BondNum,"There is a molecule composed of 12 single bonds, 3 rotatable bonds, and 5 aromatic bonds.",Cc1c(C2(CC(C)C)CCCC2)noc1N
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 nitro group, and 1 sulfide group.",Cc1cc(-c2ccc(C=C3SC(=O)N(CCOc4cccc5ccccc45)C3=O)o2)cc([N+](=O)[O-])c1C
AddComponent,Modify the molecule CCCOC(=O)Oc1ccc(CC([NH3+])C(=O)OC(C)C(C)OC(=O)CC(C)(C)C)cc1OC(=O)OCCC by adding a carboxyl.,CCCOC(=O)Oc1ccc(CC([NH3+])C(=O)OC(C)C(C)OC(=O)CC(C)(C)C)cc1OC(=O)OCC(C)C(=O)O
SubComponent,Substitute a CNC(CCO)CS(=O)c1cccc(F)c1 in the molecule halo with a thiol.,CNC(CCO)CS(=O)c1cccc(S)c1
DelComponent,Modify the molecule benzene ring by removing a CCC[NH2+]C(COC)c1cccc(CC(C)C)c1.,CCC[NH2+]C(COC)CC(C)C
LogP,Please modify the molecule N#CCC(=O)N1CC(n2cc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)C1 to decrease its LogP value.,N#CCC(=O)N1CC(n2cc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3O)n2)C1
MR,Modify the molecule CCc1c(C(=O)NCC2([NH+](C)C)CCOCC2)[nH]c2ccccc12 to have a lower MR value.,CCc1(CC2([NH+](C)C)CCOCC2)c2ccccc2[nH]-1
QED,Optimize the molecule CC1(C)C(C(=O)[O-])C1C(=O)NCC(=O)Nc1ccc(Br)cc1 to have a lower QED value.,CC1(C)C(C(=O)[O-])C1C(=O)NCC(=O)Nc1ccc(NO)cc1
AtomNum,"There is a molecule with 16 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",O=C(NCCNc1ncccn1)c1cc(Cl)c2c(c1)OCCCO2
BondNum,"The molecule is composed of 15 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",C[NH2+]Cc1cc(Cl)ccc1N1CCC(C(F)(F)F)CC1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 amide group.",COCCNC(=O)C(=Cc1ccc(OC)c(OCc2ccccc2)c1)c1nc2ccccc2[nH]1
AddComponent,Add a benzene ring to the molecule CC(C)c1cc(C(=O)N2CC(C[NH3+])CC2C)nn1C.,CC(C)c1cc(C(=O)N2CC(C[NH3+])CC2C)nn1Cc1ccccc1
SubComponent,Substitute a halo in the molecule Fc1ccc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)s1 with a hydroxyl.,Oc1ccc(C=NNc2nc(-c3ccc(Cl)cc3)cs2)s1
DelComponent,Modify the molecule nitrile by removing a Cc1ccnc(N2CCC(C)C(C[NH3+])C2)c1C#N.,Cc1ccnc(N2CCC(C)C(C[NH3+])C2)c1
LogP,Please optimize the molecule [NH3+]Cc1ccc(C(=O)N2CCSc3ccccc32)o1 to have a lower LogP value.,[NH3+]Cc1ccc(C(=O)N2CCSc3ccc(O)cc32)o1
MR,Optimize the molecule Cc1nc(NCCc2cccc(Cl)c2)cc(Nc2ccccc2C)n1 to have a lower MR value.,CNc1cc(NCCc2cccc(Cl)c2)nc(C)n1
QED,Optimize the molecule CCC[NH2+]C(CCC(C)C)c1cc(C)c(OC)cc1C to have a lower QED value.,CCC[NH2+]C(CCC(C)C)c1cc(C)c(OCO)cc1C
AtomNum,"There is a molecule consisting of 8 carbon atoms, and 2 sulfur atoms.",S=CCCCCCCC=S
BondNum,"Please generate a molecule composed of 9 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",O=C(Nc1cc(N2CCCC2)ncn1)c1ncccn1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ketone group, 1 amide group, and 6 halo groups.",CC1(C(=O)[O-])CCC(n2ncc(C(=O)N(CC(=O)c3c(Cl)cc(F)cc3Cl)CC3CCCC3)c2C(F)(F)F)CC1
AddComponent,Add a benzene ring to the molecule CN1CC2(CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)OC1=O.,CN1CC2(CCN(C(=O)CCCc3ccc(Cl)c(-c4ccccc4)c3)CC2)OC1=O
SubComponent,Substitute a halo in the molecule CN1CC[NH+](Cc2ccc(N)cc2F)CC1=O with a thiol.,CN1CC[NH+](Cc2ccc(N)cc2S)CC1=O
DelComponent,Please remove a Cc1c(Cl)nnc(NCCc2cccnc2)c1C from the molecule amine.,Cc1c(Cl)nnc(CCc2cccnc2)c1C
LogP,Please modify the molecule O=c1ccnc2[nH]c(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)c(CC3CC3)c1-2 to decrease its LogP value.,O=c1ccnc2[nH]c(-c3ccccc3)c(-c3ccc4ncccc4c3)c(CC3CC3)c1-2
MR,Optimize the molecule Cc1ccc(Oc2ccc(C(F)(F)F)c(F)c2)cc1 to have a higher MR value.,Cc1ccc(Oc2ccc(C(F)(F)C(=O)[OH])c(F)c2)cc1
QED,Please optimize the molecule COCC1=CCN(C(=O)COc2ccccc2C#N)CC1 to have a lower QED value.,COCC1=CCN(C(=O)COc2ccccc2NO)CC1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCc1cccc(NC(=O)C=Cc2nc3ccccc3o2)c1
BondNum,"The molecule contains 11 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CCOc1c(Cl)cc(C(=O)CC)c(OCC)c1Cl
FunctionalGroup,"The molecule contains 4 benzene ring groups, 2 amine groups, and 3 sulfone groups.",CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N(Cc2cccnc2)N(Cc2cccnc2)C(=O)Nc2ccc(S(=O)(=O)c3cccc(NS(C)(=O)=O)c3)cc2)cc1
AddComponent,Modify the molecule O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(O)Cc3cccs3)s2)nn1 by adding a hydroxyl.,O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(O)C(O)c3cccs3)s2)nn1
SubComponent,Please substitute a halo in the molecule Cc1cccc(Cl)c1OCc1ccc(C=CC(=O)c2cn(C)nc2C)o1 with a thiol.,Cc1cccc(S)c1OCc1ccc(C=CC(=O)c2cn(C)nc2C)o1
DelComponent,Remove a benzene ring from the molecule CCc1oc(-c2cccc(OC)c2)cc1-c1nc(=S)[nH][nH]1.,CCc1oc(OC)cc1-c1nc(=S)[nH][nH]1
LogP,Modify the molecule O=C(NC=Cc1ccccc1)Nc1ccc(Cl)cc1Cl to have a higher LogP value.,O=C(NC=C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1Cl
MR,Optimize the molecule CC(C)Nc1ccc2c(c1)C(C)(C)CC=C2 to have a lower MR value.,CC(C)c1ccc2c(c1)C(C)(C)CC=C2
QED,Modify the molecule CCC1CC1(NC(=O)C1CC(Oc2cc(N3C=CC([NH2+]C(C)C)N3)nc3cc(OCC[NH+]4CCOCC4)ccc23)CN1C(=O)C(NC(=O)OC1CCC(C)C1)C(C)(C)C)C(=O)[O-] to have a lower QED value.,CCC1CC1(NC(=O)C1CC(Oc2cc(N3C=CC([NH2+]C(C)(C)c4ccccc4)N3)nc3cc(OCC[NH+]4CCOCC4)ccc23)CN1C(=O)C(NC(=O)OC1CCC(C)C1)C(C)(C)C)C(=O)[O-]
AtomNum,"There is a molecule consisting of 59 carbon atoms, and 2 nitrogen atoms.",CC1(C)c2cccc3c2N2c4c1cc(-c1ccccc1)cc4C(C)(C)c1cc(-c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc(c12)C3(C)C
BondNum,"The molecule is composed of 6 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",C[N+](C)(Cc1ccccc1Br)c1ccccc1
FunctionalGroup,"Please generate a molecule composed of 2 halo groups, and 1 borane group.",BC1C(Cl)CC(Cl)C1CCCc1ccco1
AddComponent,Add a hydroxyl to the molecule CC[NH2+]C(Cc1c[nH+]ccc1N)C1CCc2ccccc21.,CC[NH2+]C(Cc1c[nH+]ccc1N)C1CCc2ccc(O)cc21
SubComponent,Please substitute a halo in the molecule O=C([O-])Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1 with a thiol.,O=C([O-])Cc1cc(-c2ccc(C(F)(F)S)cc2)cc(C(F)(F)F)c1
DelComponent,Remove a amide from the molecule Cc1cccc(CC(C)NC(=O)Cc2sc(C)nc2C)n1.,Cc1cccc(CC(C)c2sc(C)nc2C)n1
LogP,Modify the molecule COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1 to have a higher LogP value.,COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1
MR,Please modify the molecule NC1=[NH+]C(N)C2C3OC(=O)C(O)C2(N1)C(O)C(O)C3(O)CO to increase its MR value.,CC(=O)C1C(=O)OC2C3C(N)[NH+]=C(N)NC31C(O)C(O)C2(O)CO
QED,Modify the molecule C[NH+]1C2=CC=CC2CC1CCCO to have a lower QED value.,C[NH+]1C2=CC=CC2CC1CCCNO
AtomNum,"The molecule contains 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 2 fluorine atoms.",O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(SC(F)F)cc1
BondNum,"Please generate a molecule consisting 7 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C(=O)CC(C)Cl)cc1
FunctionalGroup,The molecule has and 1 benzene ring group.,CCCOC(C)Oc1ccc(C(CC(C)(C)C)C(C)C)cc1
AddComponent,Add a carboxyl to the molecule CCOCOC(C[NH3+])COC.,CCOCOC(COC)C([NH3+])C(=O)O
SubComponent,Please substitute a halo in the molecule COc1ccc(NCC(OC)OC)cc1Br with a nitro.,COc1ccc(NCC(OC)OC)cc1NO
DelComponent,Remove a benzene ring from the molecule C=CCOC1C(OP(OCCC#N)N(C(C)C)C(C)C)C(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)OC1n1ccc(=O)[nH]c1=S.,C=CCOC1C(OP(OCCC#N)N(C(C)C)C(C)C)C(COC(c2ccc(OC)cc2)c2ccc(OC)cc2)OC1n1ccc(=O)[nH]c1=S
LogP,Optimize the molecule CN(CC1CCC1)C(C[NH3+])c1ccc(F)cc1F to have a lower LogP value.,CN(CC1CCC1)C(C[NH3+])c1ccc(O)cc1F
MR,Modify the molecule c1ccc([SiH2]c2ccccc2)cc1 to have a lower MR value.,[SiH2]c1ccccc1
QED,Please modify the molecule Cc1ccc(-c2cc(C(=O)NCCSC(F)(F)F)n[nH]2)o1 to decrease its QED value.,Cc1ccc(-c2cc(C(=O)NCCSC(F)F)n[nH]2)o1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 nitrogen atom, and 1 sulfur atom.",C=CCCCC([NH2+]CCC)c1ccc(C)s1
BondNum,"There is a molecule with 16 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCC[NH2+]C(C)c1cccc(F)c1OCC1CCCCO1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 hydroxyl groups, 4 thioether groups, and 2 sulfide groups.",CC(C)(O)CCSCc1ccc(CSCCC(C)(C)O)cc1
AddComponent,Please add a hydroxyl to the molecule O=C(NC=Cc1ccccc1Cl)NCC1COc2ccccc2O1.,O=C(NC=Cc1ccccc1Cl)NCC1Oc2ccccc2OC1O
SubComponent,Substitute a nitrile in the molecule COc1c(C)cc(Nc2ncc(C#N)s2)cc1C with a thiol.,COc1c(C)cc(Nc2ncc(S)s2)cc1C
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C)c(Cl)c2)cc1.,Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(C)(=O)=O)cc1Cl
LogP,Modify the molecule CCOc1ccccc1Oc1ccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C)cn1 to have a higher LogP value.,CCOc1ccccc1Oc1ccc(Cc2(C)n(-c3ccc(F)cc3)nn-2)cn1
MR,Optimize the molecule O=C([O-])CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccccc21 to have a higher MR value.,O=C([O-])CC1CCCc2c1n(Cc1ccc(S)cc1)c1ccccc21
QED,Optimize the molecule Nc1cc(Br)c2oc3ccccc3c2c1 to have a lower QED value.,Nc1cc(S)c2oc3ccccc3c2c1
AtomNum,"There is a molecule consisting of 23 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 bromine atom.",COc1ccc(NCc2nn3cc(-c4ccc(Br)cc4)c4c3n2CCCC4)cc1
BondNum,"Please generate a molecule composed of 16 single bonds, 2 double bonds, 5 rotatable bonds, and 22 aromatic bonds.",CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)sc2c1CCCCCC2
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 2 amide groups, and 1 amine group.",CCNC(=O)c1ccc(-c2cnc3c(c2)N(Cc2ccccc2)C(=O)CN3)cc1
AddComponent,Please add a hydroxyl to the molecule COc1cccc(C(C)CC(=O)Cc2sc3c(c2C#N)CCC(COC(=O)NCCc2cccnc2)C3)c1.,CC(CC(=O)Cc1sc2c(c1C#N)CCC(COC(=O)NCCc1cccnc1)C2)c1cccc(OCO)c1
SubComponent,Modify the molecule OCC(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 by substituting a hydroxyl with a halo.,OC(CI)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
DelComponent,Remove a amine from the molecule CC([NH3+])CC(=O)N1CC(CCc2ccc3c(n2)NCCC3)C1.,CC([NH3+])CC(=O)N1CC(CCc2ccc3c(n2)CCC3)C1
LogP,Please modify the molecule Cc1cc2c3c(c1)c1c(n3CC(c3ccnc(C)c3)S2)CC[NH+](C)C1 to decrease its LogP value.,Cc1cc2c3c(c1)c1c(n3CC(c3ccnc(C)c3)S2)C(O)C[NH+](C)C1
MR,Optimize the molecule O=C(CSCC(=O)N1CCCCC1)NCC1(O)CCCCC1 to have a higher MR value.,O=C(CSCC(=O)N1CCCCC1)NCC1(O)CCCC(O)C1
QED,Modify the molecule CCOC(=O)c1ccc(Nc2ccc(NC(=O)OC(C)(C)C)cn2)cc1 to increase its QED value.,CCOC(=O)c1ccc(-c2ccc(NC(=O)OC(C)(C)C)cn2)cc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",COCC1CCC[NH+](CCSC2CC[NH2+]CC2)C1
BondNum,"The molecule contains 20 single bonds, 1 double bond, 8 rotatable bonds, and 6 aromatic bonds.",CC(=O)NC(C)CCC1OCC(Oc2ncc(OC(C)C)cc2Cl)CO1
FunctionalGroup,Please generate a molecule consisting and 1 amine group.,CCNC(C)(C)C[NH2+]C1(C)CCC1
AddComponent,Add a amine to the molecule [NH3+]C1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1.,Nc1cc(Sc2ccc([N+](=O)[O-])cc2C(=O)N2CCCC([NH3+])C2)ccc1Cl
SubComponent,Modify the molecule halo by substituting a CC(C)c1cc(-c2nnc(SCC(=O)Nc3ccc(Br)cn3)n2C(C)C)cs1 with a nitrile.,CC(C)c1cc(-c2nnc(SCC(=O)Nc3ccc(C#N)cn3)n2C(C)C)cs1
DelComponent,Remove a amine from the molecule CCNc1nc(C2CCCCCC2)nc2sccc12.,CCc1nc(C2CCCCCC2)nc2sccc12
LogP,Optimize the molecule C[NH+](C)C(CNC(=O)N1CCCC(CO)C1)c1ccccc1 to have a lower LogP value.,C[NH+](C)C(CNC(=O)N1CCCC(CNO)C1)c1ccccc1
MR,Please modify the molecule OC(c1ccc(Cl)c2cccnc12)C1CCC[NH2+]1 to increase its MR value.,ONC(c1ccc(Cl)c2cccnc12)C1CCC[NH2+]1
QED,Modify the molecule COCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 to have a lower QED value.,CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCCCOCN)CC1
AtomNum,"There is a molecule with 20 carbon atoms, 4 nitrogen atoms, and 2 fluorine atoms.",N#CC(=Cc1ccc(N2CCCC2)c(F)c1)c1nc2ccc(F)cc2[nH]1
BondNum,"Please generate a molecule consisting 20 single bonds, 4 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",O=C(Cc1ccccc1)Nc1ccc(CN(C2CCCCNC2=O)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
FunctionalGroup,Please generate a molecule composed of and 1 halo group.,[NH3+]Cc1cnn(-c2nccc(Cl)n2)c1
AddComponent,Add a carboxyl to the molecule Cc1c(N)cccc1S(=O)(=O)NCC(=O)N1CCCC1.,Cc1c(N)cccc1S(=O)(=O)NCC(=O)N1CCCC1C(=O)O
SubComponent,Please substitute a halo in the molecule CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1ccnn1C with a nitrile.,CCOc1c(C#N)cc(Br)cc1C[NH2+]Cc1ccnn1C
DelComponent,Remove a O=C(Cc1cn(-c2ccc(N3CCCC3CO)nn2)c2ccccc12)Nc1ccc2c(c1)OCO2 from the molecule amide.,OCC1CCCN1c1ccc(-n2cc(-c3ccc4c(c3)OCO4)c3ccccc32)nn1
LogP,Modify the molecule Cc1ccc(C)c(CCC(=O)c2cc3cc(F)ccc3[nH]2)c1 to have a lower LogP value.,Cc1ccc(C)c(CCC(=O)c2[nH]c3ccc(F)cc3c2O)c1
MR,Please modify the molecule CCCNC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cccc(C(=O)NC)c3C)CC2)ccc1Cl to decrease its MR value.,CCCNC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cccc(C(=O)NC)c3C)CC2)ccc1C#N
QED,Optimize the molecule CC(=O)OCC1OC(OC2C=C(O[Si](C)(C)C(C)(C)C)C(OC(C)=O)C(c3ccc([N+](=O)[O-])o3)O2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O to have a higher QED value.,CC(=O)OCC1OC(OC2C=C(O[Si](C)(C)C(C)(C)C)C(OC(C)=O)C(c3ccc([SH]=O)o3)O2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
AtomNum,"There is a molecule composed of 23 carbon atoms, 5 oxygen atoms, and 5 nitrogen atoms.",CC(Nc1ccccn1)C(CCNC(=O)N1CCC(CC(=O)[O-])c2ccccc2C1)[N+](=O)[O-]
BondNum,"Please generate a molecule composed of 7 single bonds, 1 double bond, 1 rotatable bond, and 15 aromatic bonds.",O=C([O-])c1cc2ccc3cc4c(cc3c2o1)CCCC4
FunctionalGroup,"The molecule has 1 hydroxyl group, and 1 amine group.",NC(=S)c1ccc(N2CCC(O)CC2)c2ccccc12
AddComponent,Modify the molecule Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(Br)c1 by adding a benzene ring.,Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(Br)c1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a Nc1ccc(OCc2ccc(Br)cc2)nc1N with a thiol.,Nc1ccc(OCc2ccc(S)cc2)nc1N
DelComponent,Remove a benzene ring from the molecule c1ccc(Oc2cccc(-c3cc(CCCCN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)on3)c2)cc1.,c1ccc(C[NH+]2CCN(CCCCc3cc(-c4cccc(Oc5ccccc5)c4)no3)CC2)cc1
LogP,Please modify the molecule CN(C)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(OC(=O)[O-])cn3C2CC2)CC1 to decrease its LogP value.,CN(C)C(=O)N1CCN(c2cc3c(cc2C(=O)[OH])c(=O)c(OC(=O)[O-])cn3C2CC2)CC1
MR,Please modify the molecule Cc1cc(C(F)(F)F)nc(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)n1 to increase its MR value.,Cc1cc(C(F)(F)NO)nc(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)n1
QED,Modify the molecule CCCCC(C)(C)C(C=CC1C(OC2CCCCO2)CC(O)C1CCCCC=CC(=O)NS(C)(=O)=O)OC1CCCCO1 to decrease its QED value.,CCCCC(C)(C)C(C=CC1(O)C(OC2CCCCO2)CC(O)C1CCCCC=CC(=O)NS(C)(=O)=O)OC1CCCCO1
AtomNum,"The molecule has 30 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",O=C(CSc1ccc2ccccc2c1)NC1C(=O)N2C(C(=O)[O-])=C(C(=C3CCNC3=O)c3ccc(O)cc3)CSC12
BondNum,"There is a molecule consisting of 11 single bonds, 3 double bonds, 9 rotatable bonds, and 17 aromatic bonds.",COc1ccc(SCC(=O)Nc2nnc(CCS(=O)(=O)c3ccccc3)o2)cc1
FunctionalGroup,"The molecule is composed of 1 amine group, and 3 halo groups.",CNc1nc(OC(C)C(C)C)cc(C(F)(F)F)n1
AddComponent,Modify the molecule O=C(Nc1nnc(Cl)cc1Br)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O by adding a aldehyde.,O=CCC1CCCC(N2C(=O)c3ccc(C(=O)Nc4nnc(Cl)cc4Br)cc3C2=O)C1
SubComponent,Substitute a halo in the molecule CC([NH2+]CC1C[NH+]2CCCC2CO1)c1ccc(I)cc1 with a nitrile.,CC([NH2+]CC1C[NH+]2CCCC2CO1)c1ccc(C#N)cc1
DelComponent,Modify the molecule O=C(OC1C=CC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)CC1)c1cc(I)cc(I)c1I by removing a halo.,O=C(OC1C=CC(C(=O)OC(CS(=O)(=O)[O-])C(F)F)CC1)c1cc(I)cc(I)c1I
LogP,Modify the molecule Cc1noc(C[NH+]2CCN(C(=O)C3CC3c3ccc(F)cc3F)CC2)n1 to decrease its LogP value.,Cc1noc(C[NH+]2CCN(C(=O)C3CC3c3ccccc3F)CC2)n1
MR,Please optimize the molecule C=CC[NH+]1CCc2ccccc2C1c1ccccc1 to have a lower MR value.,C=CC[NH+]1CCc2ccccc2C1
QED,Optimize the molecule Cc1nn(C)c(C)c1NCc1ccc(F)cc1C(F)(F)F to have a lower QED value.,Cc1c(NCc2ccc(F)cc2C(F)(F)F)c(CO)nn1C
AtomNum,"The molecule consists of 25 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CC(C)(c1cccnc1)[NH+]1CCC([NH+]2CCC(c3cccc4c3=NC(=O)N=4)CC2)CC1
BondNum,"Please generate a molecule composed of 10 single bonds, 3 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",CCc1ccc(OCC(=O)N2c3ccccc3S(=O)(=O)c3ccccc32)cc1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 1 amide group, and 1 sulfide group.",Cc1c(NC(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)c(=O)n(-c2ccccc2)n1C
AddComponent,Modify the molecule CCC(=O)c1cccc(Br)c1CC#N by adding a hydroxyl.,CCC(=O)c1cc(O)cc(Br)c1CC#N
SubComponent,Substitute a halo in the molecule Cc1cc(C(Cc2cccc(F)c2Cl)NN)sc1C with a carboxyl.,Cc1cc(C(Cc2cccc(C(=O)[OH])c2Cl)NN)sc1C
DelComponent,Modify the molecule Cc1cccc(-c2nc3sc4c(c3c(=O)n2CC(=O)N(C)Cc2ccccc2)CCCC4)c1 by removing a benzene ring.,Cc1nc2sc3c(c2c(=O)n1CC(=O)N(C)Cc1ccccc1)CCCC3
LogP,Please optimize the molecule CCC(C(C)=O)c1nc(C2(OC)CCC(C)CC2)no1 to have a lower LogP value.,CCC(O)(C(C)=O)c1nc(C2(OC)CCC(C)CC2)no1
MR,Please optimize the molecule O=C(Nc1nc2cncc(N3CCOCC3)c2s1)c1ccccc1 to have a higher MR value.,O=C(Nc1nc2cncc(N3CCOC(c4ccccc4)C3)c2s1)c1ccccc1
QED,Modify the molecule CCOC(=O)C1=C(COC(=O)c2ccccc2Br)NC(=O)NC1c1ccccc1 to increase its QED value.,CCOC(=O)C1=C(COC(=O)c2ccccc2Br)NC(=O)NC1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCCCc1ccc(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)cc1
BondNum,"Please generate a molecule consisting 29 single bonds, 4 double bonds, 24 rotatable bonds, and 6 aromatic bonds.",CCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCC(C)S(=O)(=O)[O-]
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 hydroxyl group, and 1 sulfone group.",C=CCC1(C(O)c2ccccc2)CCN(C)C1=NS(=O)(=O)c1ccc(C)cc1
AddComponent,Add a carboxyl to the molecule COc1ccc(NC(N)=[NH+]CC2CC[NH+](CCC(C)C)CC2)cc1Cl.,CC(C)CC[NH+]1CCC(C[NH+]=C(N)Nc2ccc(OCC(=O)O)c(Cl)c2)CC1
SubComponent,Substitute a Cc1cc(-c2ccc(Cl)nc2)c(C[NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc1C(F)(F)F in the molecule halo with a thiol.,Cc1cc(-c2ccc(S)nc2)c(C[NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc1C(F)(F)F
DelComponent,Modify the molecule halo by removing a CCOc1cc(NC(=O)COc2ccc(Cl)cc2)c(OCC)cc1N.,CCOc1cc(NC(=O)COc2ccccc2)c(OCC)cc1N
LogP,Modify the molecule CCC=CC=CC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCC=CCC=CCCCCC to decrease its LogP value.,CCC=CC=CC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC(=CCC=CCC=CCCCCC)C(=O)O
MR,Please modify the molecule CC1CCC([NH2+]CC(O)COc2cccc(C#N)c2)C1 to decrease its MR value.,CC1CCC([NH2+]CC(O)COc2ccccc2)C1
QED,Modify the molecule O=C(Cc1cccc(F)c1F)NCCCC[NH+]1CCCC1CO to have a lower QED value.,O=C(Cc1cccc(O)c1F)NCCCC[NH+]1CCCC1CO
AtomNum,"There is a molecule composed of 17 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1cc(C)cc(NC(=O)NCC(=O)Nc2ccccc2)c1
BondNum,"The molecule contains 8 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",O=C(CCBr)c1cc(Br)cc(C(F)F)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CC(C)(C)c1ccc(C(O)CCCCCC2CCCCC2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21
AddComponent,Add a benzene ring to the molecule CCc1ccc(N2C(=O)CC(c3cc(OC)c(OC)cc3OC)C3=C2COC3=O)cc1.,CCc1ccc(N2C(=O)CC(c3cc(OCc4ccccc4)c(OC)cc3OC)C3=C2COC3=O)cc1
SubComponent,Please substitute a halo in the molecule O=C([O-])C=C1CCCCC1c1c(Cl)cccc1Cl with a thiol.,O=C([O-])C=C1CCCCC1c1c(S)cccc1Cl
DelComponent,Please remove a benzene ring from the molecule COC(=O)c1nc2c(s1)c1cnn(Cc3cccc(OC)c3)c(=O)c1n2C.,COCn1ncc2c3sc(C(=O)OC)nc3n(C)c2c1=O
LogP,Optimize the molecule CC(C)(S)C(NC(=O)CCCl)C(=O)[O-] to have a higher LogP value.,CC(C)(S)C(CCl)C(=O)[O-]
MR,Optimize the molecule NNC(=O)C=CNc1ccccc1Cc1ccc(Cl)cc1 to have a lower MR value.,NNC(=O)C=CNc1ccccc1Cc1ccc(O)cc1
QED,Optimize the molecule COC(=O)C(=O)NC1CCC(OC)C1 to have a lower QED value.,COOC1CCC(OC)C1
AtomNum,"There is a molecule with 20 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CCn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(Cl)cc1
BondNum,"There is a molecule composed of 8 single bonds, 1 double bond, 4 rotatable bonds, and 20 aromatic bonds.",CNc1nc2sc(-c3ccc(CNC(C)=O)cc3)nc2c2c1ncn2C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 halo group.",[NH3+]C(c1ccccc1Cl)C1CCC[NH2+]C1
AddComponent,Add a benzene ring to the molecule Clc1ccc(-c2cn(Cc3ccccc3)c3c2CCC[NH2+]C3)cc1.,Clc1ccc(-c2cn(Cc3ccccc3-c3ccccc3)c3c2CCC[NH2+]C3)cc1
SubComponent,Substitute a COC(CC=CBr)CS(=O)(=O)c1nc2ccccc2s1 in the molecule halo with a aldehyde.,CC(=O)C=CCC(CS(=O)(=O)c1nc2ccccc2s1)OC
DelComponent,Please remove a CCC(=O)C(NC(=O)CCC1CC(=O)NC1=O)C(C)(C)C from the molecule amide.,CCC(=O)C(NC(=O)CCCC=O)C(C)(C)C
LogP,Please optimize the molecule Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cccc(Br)c2)CC1 to have a lower LogP value.,Cc1cc(C(=O)Nc2ccc(C(=O)[OH])cc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cccc(Br)c2)CC1
MR,Please modify the molecule CC(=O)NC(CCO)C(=O)[O-] to decrease its MR value.,CCC(NC(C)=O)C(=O)[O-]
QED,Please optimize the molecule CC(C)C(CN(C)C)[NH2+]Cc1ccc(O)cc1 to have a lower QED value.,CC(C)C(CN(C)C)[NH2+]CO
AtomNum,"Please generate a molecule consisting 38 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COc1cc2c(cc1OC)C(=C1C(c3cccs3)=Cc3ccccc31)C(c1ccc(C)cc1)[NH+](Cc1ccccc1)C2
BondNum,"There is a molecule composed of 12 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CCOc1cc(N)cnc1N1CC[NH+](C)CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ketone group, and 1 nitro group.",COc1ccc(OCCCCC(C)=O)c([N+](=O)[O-])c1
AddComponent,Modify the molecule CCCc1nn(C)c2c1nc(CCl)n2-c1cccc(F)c1 by adding a nitrile.,CCCc1nn(C)c2c1nc(CCl)n2-c1cc(F)cc(C#N)c1
SubComponent,Please substitute a BrC1CC[NH+](Cc2ccncc2)CC1 in the molecule halo with a aldehyde.,CC(=O)C1CC[NH+](Cc2ccncc2)CC1
DelComponent,Modify the molecule amide by removing a O=C([O-])C1CCC1C(=O)NCCCc1nc2ccccc2[nH]1.,O=C([O-])C1(CCCc2nc3ccccc3[nH]2)CC1
LogP,Modify the molecule CCCn1nccc1C(=O)N(C)Cc1cccc(-n2cccn2)c1 to have a lower LogP value.,CCCn1nccc1C(=O)N(C)Cn1cccn1
MR,Please modify the molecule CCC=C=CCOc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O to decrease its MR value.,CCC=C=CCOc1ccc(-c2c(OC)cc(-c3ccc(F)cc3)c(OC)c2O)cc1O
QED,Please modify the molecule CSCCC(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C1CCCN1C(=O)C([NH3+])CC(C)C)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CO)C(=O)[O-] to decrease its QED value.,CSCCC(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C1CCCN1C(=O)C([NH3+])CC(C)C)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CNO)C(=O)[O-]
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 iodine atom.",O=C1c2cc(I)ccc2N2CCO[NH+]=C2N1c1ccccc1
BondNum,"There is a molecule with 12 single bonds, 4 double bonds, 3 rotatable bonds, and 21 aromatic bonds.",O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 2 thioether groups, and 2 sulfide groups.",COc1cccc(CNC(=O)CSCc2csc(-c3ccco3)n2)c1
AddComponent,Modify the molecule COc1cc(OC)cc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 by adding a aldehyde.,COc1cc(OC)cc(N(C(=O)c2cncc(CC=O)n2)C(C(=O)NC2CCCCC2)c2ccc(O)cc2)c1
SubComponent,Modify the molecule O=C(C=Cc1c(Cl)cccc1Cl)NC1CS(=O)(=O)CC1N1CCCC1 by substituting a halo with a thiol.,O=C(C=Cc1c(S)cccc1Cl)NC1CS(=O)(=O)CC1N1CCCC1
DelComponent,Remove a CCN(CC)C(=O)CN1CC[NH+](C(C)C(=O)N2CCCC2c2cccs2)CC1 from the molecule amide.,CCC(C)N1CC[NH+](C(C)C(=O)N2CCCC2c2cccs2)CC1
LogP,Modify the molecule CC[NH+](Cc1ccccc1)Cc1nc2ccc(F)cc2[nH]1 to have a lower LogP value.,CC[NH+](Cc1cccc(O)c1)Cc1nc2ccc(F)cc2[nH]1
MR,Modify the molecule CCc1cc(N)cc(C(C)CC)c1N to have a lower MR value.,CCC(C)C(C)NN
QED,Please modify the molecule C[NH+](C)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1 to decrease its QED value.,C[NH+](C)C1CCN(C(=O)CCc2ccc(-c3ccccc3C#N)o2)CC1
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC1CC(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC[NH2+]1
BondNum,"The molecule has 11 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CCOC(=O)c1ccc(NC(=O)Cc2cc(-c3ccc(OC)cc3)on2)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amide groups, and 1 sulfide group.",CC(C)(C)OC(=O)N(CCCNC(=O)c1cccc(NC(=O)c2cccs2)c1)Cc1cccnc1
AddComponent,Modify the molecule CCCCCS(=O)CC(COC)NCC by adding a aldehyde.,CCCCC(CC=O)S(=O)CC(COC)NCC
SubComponent,Please substitute a halo in the molecule Cc1cc(CN(C)C(=O)CC[NH3+])ccc1F with a hydroxyl.,Cc1cc(CN(C)C(=O)CC[NH3+])ccc1O
DelComponent,Please remove a Cc1cc(C(O)Cc2ccc3ccccc3n2)c(C)nn1 from the molecule hydroxyl.,Cc1cc(CCc2ccc3ccccc3n2)c(C)nn1
LogP,Modify the molecule O=C(CCCCCC(=O)NN=Cc1ccc(CN2CC(c3ccccc3)OC(=O)CCC=CCCC2=O)cc1)NO to increase its LogP value.,N#CNC(=O)CCCCCC(=O)NN=Cc1ccc(CN2CC(c3ccccc3)OC(=O)CCC=CCCC2=O)cc1
MR,Please modify the molecule CC(=O)NC(CC1CCCC1=O)C(=O)[O-] to increase its MR value.,O=C(CO)NC(CC1CCCC1=O)C(=O)[O-]
QED,Optimize the molecule Cc1cc2occ(CC[NH2+]C(C)(C)C)c2c(C)c1Cl to have a lower QED value.,Cc1cc(C)c2c(CC[NH2+]C(C)(C)C)coc2c1
AtomNum,"The molecule consists of 11 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(N)cc1S(=O)(=O)NCC(C)OC
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, and 2 rotatable bonds.",CCN=CC1C(=O)C(C)(C)OC1(C)C
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,O=C(COc1cccc2ccccc12)NC(=O)NC1CC1
AddComponent,Add a hydroxyl to the molecule Cc1cc(C)n(CC(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)n1.,Cc1cc(C)n(CC(=O)N2CCC(O)(Cc3nc4ccccc4[nH]3)CC2)n1
SubComponent,Substitute a halo in the molecule COc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2Cl)c(OC)c1 with a nitro.,COc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2NO)c(OC)c1
DelComponent,Please remove a amine from the molecule CONC(CC(CCC[NH3+])c1nc2c(ccc3cc(-c4ccc5nc(C6CCCN6C(=O)C(N[O-])C(C)C)[nH]c5c4)ccc32)[nH]1)C(C)C.,COC(CC(CCC[NH3+])c1nc2c(ccc3cc(-c4ccc5nc(C6CCCN6C(=O)C(N[O-])C(C)C)[nH]c5c4)ccc32)[nH]1)C(C)C
LogP,Optimize the molecule Cc1c(Br)ccc2c1OCCC2=O to have a lower LogP value.,Cc1c(C#N)ccc2c1OCCC2=O
MR,Optimize the molecule Brc1cnc(N2CC[NH+](C3CCC3)CC2)nc1 to have a lower MR value.,N#Cc1cnc(N2CC[NH+](C3CCC3)CC2)nc1
QED,Please modify the molecule O=C(C1CCN(C(=O)C2(Nc3ccccc3)CCCC2)CC1)N1CCOCC1 to decrease its QED value.,NC1(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)CCCC1
AtomNum,"The molecule consists of 11 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCOC(=O)C[NH2+]CCn1nc(C)cc1C
BondNum,"There is a molecule consisting of 15 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",O=C(c1cc(=O)c2ccccc2o1)N1CCc2[nH]nc(CCC3CCCC3)c2C1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",CC1=NN(c2ccccc2)C(=O)C1=Cc1ccn(C2CCCCC2)c1
AddComponent,Modify the molecule CCc1sc2nc(N3CCC[NH2+]CC3)[nH]c(=O)c2c1-c1ccc(Br)cc1 by adding a benzene ring.,CCc1sc2nc(N3CC[NH2+]CCC3c3ccccc3)[nH]c(=O)c2c1-c1ccc(Br)cc1
SubComponent,Please substitute a halo in the molecule CC(CO)[NH2+]C(C)c1ccccc1Br with a nitrile.,CC(CO)[NH2+]C(C)c1ccccc1C#N
DelComponent,Remove a thiol from the molecule CC([NH3+])C(=O)NC(CS)C(=O)[O-].,CC([NH3+])C(=O)NC(C)C(=O)[O-]
LogP,Modify the molecule CC(C)Oc1ccc(CNc2ncnc(NCc3ccc(OC(C)C)cc3)c2[N+](=O)[O-])cc1 to decrease its LogP value.,CC(C)Oc1ccc(CNc2ncnc(NCc3ccc(OC(C)CO)cc3)c2[N+](=O)[O-])cc1
MR,Modify the molecule CC(=O)O[I-]c1nc2ccccc2s1 to have a higher MR value.,CC(=O)O[SH]c1nc2ccccc2s1
QED,Modify the molecule C=CC(=O)N1CCC(Oc2cnc3ncc(-c4ccc(S(C)(=O)=O)cc4)c-3[nH]2)CC1 to increase its QED value.,CC1CCC(Oc2cnc3ncc(-c4ccc(S(C)(=O)=O)cc4)c-3[nH]2)C1
AtomNum,"The molecule contains 17 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=S(=O)(c1ccc(NC2CCCCC2)cc1)N1CCCCC1
BondNum,"Please generate a molecule with 17 single bonds, 2 double bonds, and 5 rotatable bonds.",CSCCC(NC(N)=O)C(=O)N1CCC(C)(O)CC1
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, and 1 ester group.",O=C([O-])C=CC1=CC(=O)OC1O
AddComponent,Add a carboxyl to the molecule CCCN1CC(C(=O)N2CCN(C(=O)N(CC)CC)CC2)CC1=O.,CCN(CC)C(=O)N1CCN(C(=O)C2CC(=O)N(CCCC(=O)O)C2)CC1
SubComponent,Please substitute a nitrile in the molecule N#Cc1c(F)cccc1N1CCCC(=O)C1 with a nitro.,ONc1c(F)cccc1N1CCCC(=O)C1
DelComponent,Please remove a COc1cc(O)c(C(C)=O)cc1OC from the molecule hydroxyl.,COc1ccc(C(C)=O)cc1OC
LogP,Please modify the molecule Cn1c(CC(O)(C[NH3+])c2ccccc2)nc2ccccc21 to increase its LogP value.,Cn1c(CC(C[NH3+])c2ccccc2)nc2ccccc21
MR,Modify the molecule CCC(NC(=O)Nc1nc2c(s1)CCCC2)C(=O)[O-] to increase its MR value.,CCC(NC(=O)Nc1nc2c(s1)CC(C(=O)O)CC2)C(=O)[O-]
QED,Please optimize the molecule CC(C)Cn1c(SCC(=O)Nc2ccccc2N2CCCC2=O)nnc1-c1ccco1 to have a higher QED value.,CC(C)Cn1c(SCC(=O)NN2CCCC2=O)nnc1-c1ccco1
AtomNum,"The molecule has 25 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",Nc1ccccc1CCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 amide group.",O=C([O-])C(NC(=O)C(Cc1ccccc1)n1nnc2ccccc2c1=O)c1ccccc1
AddComponent,Modify the molecule O=S(=O)(c1ccc(NC(=S)Oc2ccccc2)cc1)c1ccc(NC(=S)Oc2ccccc2)cc1 by adding a benzene ring.,O=S(=O)(c1ccc(NC(=S)Oc2ccccc2)cc1)c1ccc(NC(=S)Oc2ccccc2)cc1-c1ccccc1
SubComponent,Modify the molecule Clc1ccc(C=CC2C=CCCC2)cc1 by substituting a halo with a carboxyl.,O=C([OH])c1ccc(C=CC2C=CCCC2)cc1
DelComponent,Modify the molecule [NH3+]C1CCCCC1Nc1cccc(C(F)(F)F)n1 by removing a halo.,[NH3+]C1CCCCC1Nc1cccc(C(F)F)n1
LogP,Modify the molecule CC(C)CC(=O)Nc1cccc(NCc2ccc(-c3ccc(Cl)cc3)o2)c1 to have a higher LogP value.,CC(C)CC(=O)Nc1cccc(NCc2oc(-c3ccc(Cl)cc3)cc2-c2ccccc2)c1
MR,Please modify the molecule CCc1cccc(CC)c1Nc1cc(NCCOC)ncn1 to increase its MR value.,CCc1ccc(N)c(CC)c1Nc1cc(NCCOC)ncn1
QED,Please modify the molecule Cc1nc(NCCc2ccc(Cl)cc2)cc(NC2CCCCC2)n1 to increase its QED value.,Cc1nc(NCCc2ccccc2)cc(NC2CCCCC2)n1
AtomNum,"The molecule is composed of 23 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCN(C(=O)c1cc2c([nH]1)CCCS2(=O)=O)C1CCCC([NH2+]Cc2ccccc2)C1
BondNum,"The molecule consists of 5 single bonds, 1 rotatable bond, and 12 aromatic bonds.",Nc1ncc(F)c(-c2cc(F)cc(F)c2)n1
FunctionalGroup,There is a molecule consisting of and 1 amide group.,CC(C)NC(=O)C1CC=CC1
AddComponent,Please add a benzene ring to the molecule O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccc(Br)c1)c1ccco1.,O=C(C1=C(O)C(=O)N(CCc2ccccc2-c2ccccc2)C1c1cccc(Br)c1)c1ccco1
SubComponent,Please substitute a CC(O)C(NC(=O)CNC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(CS)C(=O)[O-] in the molecule hydroxyl with a nitro.,CC(NO)C(NC(=O)CNC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(CS)C(=O)[O-]
DelComponent,Please remove a CCC[NH2+]C(Cc1cccc(Br)c1)c1ccc(Cl)cc1Br from the molecule halo.,CCC[NH2+]C(Cc1ccccc1)c1ccc(Cl)cc1Br
LogP,Please modify the molecule CC(C)(C)B1OCC(=C2CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23C)O1 to decrease its LogP value.,CC(C)(C)B1OCC(=C2CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23CO)O1
MR,Modify the molecule CC(C)C1CCCCC1OC(=O)c1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1 to increase its MR value.,CC(C)C1CCCCC1OC(=O)c1ccc(NC(=O)NC(=O)c2ccccc2C(=O)[OH])cc1
QED,Optimize the molecule C=CCOc1ccccc1NC(=O)c1ccc(OCC(C)C)c(Br)c1 to have a higher QED value.,C=CCOc1ccccc1NC(=O)c1ccc(OCC(C)C)c(C(=O)[OH])c1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",COc1ccc2c(c1)c(C[NH3+])cn2S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
BondNum,"Please generate a molecule consisting 17 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 5 aromatic bonds.",CC1(C)CC(=O)c2c(C3CCCCC3)nn(CCC#N)c2C1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",CN(Cc1cccc(Br)c1)C(=O)N1CCCCCC1
AddComponent,Modify the molecule Cc1ccc(N(C)CC(C)C(=O)[O-])c(C#N)c1 by adding a benzene ring.,Cc1ccc(N(C)CC(Cc2ccccc2)C(=O)[O-])c(C#N)c1
SubComponent,Modify the molecule CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)c(OC)c1 by substituting a hydroxyl with a nitrile.,CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C#N)c(OC)c1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(C(=CC(F)(F)F)OC(=O)c2ccc(OCc3ccccc3)cc2)cc1.,Cc1ccc(C(=CC(F)(F)F)OC(=O)OCc2ccccc2)cc1
LogP,Please modify the molecule CCNCc1cc(N(C)Cc2ccco2)cc[nH+]1 to increase its LogP value.,CCCc1cc(N(C)Cc2ccco2)cc[nH+]1
MR,Please modify the molecule NC(=S)c1cccc(C(=O)Nc2ccc(I)cc2Cl)c1 to decrease its MR value.,NC(=S)c1cccc(C(=O)Nc2ccc(C(=O)[OH])cc2Cl)c1
QED,Modify the molecule CC(c1ccccc1F)N(C)c1c(F)cc(C[NH3+])cc1F to decrease its QED value.,CC(c1ccccc1O)N(C)c1c(F)cc(C[NH3+])cc1F
AtomNum,"There is a molecule with 27 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 4 fluorine atoms.",COCCN(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)cc1C(=O)[O-]
BondNum,"Please generate a molecule composed of 7 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",CCOCC(O)c1ccoc1Cl
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 1 amine group.",Cc1n[nH]c(Nc2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)nc1=O
AddComponent,Add a hydroxyl to the molecule O=C(Oc1ccc([N+](=O)[O-])cc1)OC1C2COC3OC1CC3C2.,O=C(Oc1ccc([N+](=O)[O-])cc1O)OC1C2COC3OC1CC3C2
SubComponent,Substitute a O=C(Cc1ccncc1)NCC1CC[NH+](Cc2cccc(O)c2)CC1 in the molecule hydroxyl with a carboxyl.,O=C(Cc1ccncc1)NCC1CC[NH+](Cc2cccc(C(=O)[OH])c2)CC1
DelComponent,Remove a hydroxyl from the molecule CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)CO)c(I)c(C(=O)NCCN(CCNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)C(=O)c2c(I)c(NC(=O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I.,CC(O)CN(C)C(=O)c1c(I)c(NC(=O)CO)c(I)c(C(=O)NCCN(CCNC(=O)c2c(I)c(NC(=O)C(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)C(=O)c2c(I)c(NC(=O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c1I
LogP,Optimize the molecule CC(C)[NH+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1 to have a lower LogP value.,CC(C)[NH+](CC(=O)NCC(=O)Nc1ccc(NO)c(F)c1)Cc1ccccc1
MR,Modify the molecule CCc1c(Cl)[nH]c(=O)n(Cc2ccncc2)c1=O to have a higher MR value.,CCc1c(Cl)[nH]c(=O)n(Cc2ccnc(O)c2)c1=O
QED,Please optimize the molecule COc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(C)cc5)nc(-c5ccccc5O)n4)cc3)nc(-c3ccccc3O)n2)cc1 to have a lower QED value.,COc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(C)cc5)nc(-c5ccccc5S)n4)cc3)nc(-c3ccccc3O)n2)cc1
AtomNum,"There is a molecule composed of 12 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 3 fluorine atoms.",NC(=O)c1ccc(C(F)(F)F)nc1NC1CC=CC1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",CC(OCCC(=O)Nc1ccccc1C[NH3+])c1ccccc1
FunctionalGroup,"There is a molecule composed of 1 amine group, 2 thioether groups, and 1 sulfide group.",CSCC[NH2+]Cc1cccc2c1NCC2
AddComponent,Please add a benzene ring to the molecule CC(C[NH+]1CCCCC1)NS(=O)(=O)c1[nH]ncc1C[NH3+].,CC(C[NH+]1CCCC(c2ccccc2)C1)NS(=O)(=O)c1[nH]ncc1C[NH3+]
SubComponent,Substitute a halo in the molecule CCCCCCCCCCCCCCCCCC(CCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](C)(C)C(CCCCCCCCC)[Si](Cl)(Cl)Cl with a hydroxyl.,CCCCCCCCCCCCCCCCCC(CCCC)C(O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](C)(C)C(CCCCCCCCC)[Si](Cl)(Cl)Cl
DelComponent,Please remove a N#Cc1ccc2[nH]cc(CCCC[NH+]3CCN(c4ccc(F)cc4F)CC3)c2c1 from the molecule halo.,N#Cc1ccc2[nH]cc(CCCC[NH+]3CCN(c4ccccc4F)CC3)c2c1
LogP,Please modify the molecule Cc1cccc2sc(NC(=O)CCNS(=O)(=O)c3cc(Br)cnc3N)nc12 to increase its LogP value.,Cc1cccc2sc(NC(=O)CCNS(=O)(=O)c3cc(Br)c(-c4ccccc4)nc3N)nc12
MR,Optimize the molecule C=C1C(c2ccc(Cl)cc2)=NOC1(C)C to have a higher MR value.,C=C1C(c2ccc(NO)cc2)=NOC1(C)C
QED,Modify the molecule CCC(CO)(CCCn1cnc2c1CCCC2)[NH2+]C to have a higher QED value.,CCC(CC#N)(CCCn1cnc2c1CCCC2)[NH2+]C
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 4 chlorine atoms.",CCC(=O)NC(CC(C)C(Cl)Cl)C(=O)N1C(=O)C=C(OC)C1CC(C)C(Cl)Cl
BondNum,"The molecule contains 16 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",OCCn1c(-c2ccc(C3CCCCC3)cc2)csc1=Nc1cccc(C(F)(F)F)c1
FunctionalGroup,"The molecule is composed of 1 amide group, and 3 amine groups.",CCNC(NC1C[NH+](C(C)C)CC1C)=[NH+]CCC(=O)N(C)C
AddComponent,Add a amine to the molecule COc1ccc(-c2csc(NC(=O)C=Cc3ccc(OCc4ccccn4)cc3)n2)cc1OC.,COc1ccc(-c2csc(NC(=O)C=Cc3ccc(OCc4ncccc4N)cc3)n2)cc1OC
SubComponent,Substitute a halo in the molecule COCCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2c1C with a carboxyl.,COCCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(C(=O)[OH])c(Cl)c3)c(=O)c2c1C
DelComponent,Remove a Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 from the molecule benzene ring.,Cc1ccc(C(=O)NCS(N)(=O)=O)cc1
LogP,Modify the molecule CCCOc1cccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)c1 to increase its LogP value.,CCCOc1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1
MR,Please modify the molecule Oc1cc(O)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1N(c1ccccc1)c1ccccc1 to increase its MR value.,ONc1cc(O)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1N(c1ccccc1)c1ccccc1
QED,Modify the molecule COCCOCCOCCC1(c2ccc(Cl)cc2)C[NH2+]C1 to have a lower QED value.,COCCOCCOCCC1(c2ccc(S)cc2)C[NH2+]C1
AtomNum,"Please generate a molecule with 16 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",O=C(Nc1ccccc1)Nc1cccc2c1CCCN2
BondNum,"The molecule consists of 19 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CCOc1cccc(-n2cc(C(=O)N3CC[NH2+]CC3COC(C)=O)[nH+]c2-c2ccc(C)cc2F)c1
FunctionalGroup,"The molecule has 2 hydroxyl groups, and 3 amide groups.",C=CCC(CC(=O)NC(C)CO)C(=O)NC(CO)C(=O)Nc1ccc2ccccc2c1
AddComponent,Add a benzene ring to the molecule CCOC(=O)c1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)N3CCCC3)c2)cc1.,CCOC(=O)c1ccc(NC(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)N3CCCC3)c2)cc1
SubComponent,Modify the molecule COc1ccc(C[NH2+]Cc2nnc(-c3ccccc3Cl)o2)cc1 by substituting a halo with a hydroxyl.,COc1ccc(C[NH2+]Cc2nnc(-c3ccccc3O)o2)cc1
DelComponent,Modify the molecule benzene ring by removing a [NH3+]C(c1ccc(F)cn1)c1ccccc1C1CCC1.,[NH3+]C(c1ccc(F)cn1)C1CCC1
LogP,Please optimize the molecule COC(=O)CCCN(C)C(=O)CCn1nc(C)cc1C to have a higher LogP value.,COC(=O)CCCN(Cc1ccccc1)C(=O)CCn1nc(C)cc1C
MR,Modify the molecule COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NN(C)C)c1 to have a higher MR value.,COc1cccc(-c2nn(-c3ccc(C(=O)[OH])cc3)cc2C(=O)NN(C)C)c1
QED,Modify the molecule Cc1c[nH+]ccc1N1CC2CCC[NH2+]C2C1 to have a higher QED value.,Cc1c[nH+]ccc1N1CC2[NH2+]CCCC2C1c1ccccc1
AtomNum,"Please generate a molecule with 19 carbon atoms, and 2 nitrogen atoms.",C1CCN2CCC[NH+](C34CC5CC(CC(C5)C3)C4)CC2C1
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",Cc1cc(C(=O)N2CCOC(C(C)[NH3+])C2)ccc1O
FunctionalGroup,"The molecule contains 5 benzene ring groups, and 2 ester groups.",COc1ccc(CC2C(OC(=O)c3ccccc3)C(=O)OC(OCc3ccccc3)C(OCc3ccccc3)C2Cc2ccc(OC)cc2)cc1
AddComponent,Add a benzene ring to the molecule Cc1cccc(C[NH3+])c1OCc1ccc(F)cc1.,Cc1cccc(C[NH3+])c1OC(c1ccccc1)c1ccc(F)cc1
SubComponent,Please substitute a halo in the molecule CNc1cc2c(cc1F)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)C3=CCC(Cl)S3)nc1)CO2 with a aldehyde.,CC(=O)c1cc2c(cc1NC)OCN(c1ccc(NC(=O)NS(=O)(=O)C3=CCC(Cl)S3)nc1)C2=O
DelComponent,Please remove a hydroxyl from the molecule CCc1nc2sc(C(c3ccc(OC)c(OC)c3)[NH+]3CCN(Cc4ccccc4)CC3)c(O)n2n1.,CCc1nc2sc(C(c3ccc(OC)c(OC)c3)[NH+]3CCN(Cc4ccccc4)CC3)cn2n1
LogP,Optimize the molecule CCCC([NH3+])C(=O)NCc1ccnc(OC2CCCCC2)c1 to have a higher LogP value.,CCC([NH3+])Cc1ccnc(OC2CCCCC2)c1
MR,Please optimize the molecule Cn1c(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(Cl)c2ccccc21 to have a higher MR value.,Cn1c(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(C(=O)[OH])c2ccccc21
QED,Please modify the molecule COc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC to increase its QED value.,COc1cc(C(=O)Nc2cc(C(O)(F)F)cc(C(F)(F)F)c2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC
AtomNum,"There is a molecule with 17 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 fluorine atom.",CCC[NH2+]C(c1ccnc(C)c1)c1cc(F)ccc1OC
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",CC(CO)OC(C)[n+]1cn(C)c2c(=O)[nH]c(N)nc21
FunctionalGroup,There is a molecule with and 1 halo group.,CC(C)c1[nH]nc2cc(-c3nc(C(C)(C)C)[nH]c3Cl)ccc12
AddComponent,Please add a benzene ring to the molecule CCC(CC)[NH+](CCO)CC(=O)Nc1ccccc1SC.,CCC(CC)[NH+](CCO)CC(=O)Nc1ccc(-c2ccccc2)cc1SC
SubComponent,Please substitute a nitrile in the molecule CC(C)=CC1C(C(=O)N(C)CCC#N)C1(C)C with a thiol.,CC(C)=CC1C(C(=O)N(C)CCS)C1(C)C
DelComponent,Remove a amide from the molecule CCC(CC)C(=O)NC(C)(C)C(C)O.,CCC(C)C(C)(C)C(C)O
LogP,Optimize the molecule CC(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1 to have a lower LogP value.,CC(=O)NC(=O)Cn1nc(C(F)(F)F)n(C)c1=O
MR,Optimize the molecule O=C(OCc1ccccc1)N1CC[NH+](CCc2ccccc2F)CC1 to have a higher MR value.,CC(=O)c1ccccc1CC[NH+]1CCN(C(=O)OCc2ccccc2)CC1
QED,Optimize the molecule Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC(C)CC1 to have a higher QED value.,CC1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2CC(=O)O)CC1
AtomNum,"There is a molecule composed of 13 carbon atoms, 6 nitrogen atoms, and 2 fluorine atoms.",Cc1ccc(-c2nc(N)nc(-n3cccn3)n2)c(F)c1F
BondNum,"The molecule contains 16 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",c1ccc2nn(SN(C3CCCCC3)C3CCCCC3)nc2c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 3 halo groups.",CCOc1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(Br)c(Cl)c1OCc1cccc(F)c1
AddComponent,Please add a aldehyde to the molecule CCN(CC)c1ccc(NC(=O)C[NH+]2CCN(S(=O)(=O)N(CC)CC)CC2)cc1.,CCN(CCCC=O)c1ccc(NC(=O)C[NH+]2CCN(S(=O)(=O)N(CC)CC)CC2)cc1
SubComponent,Substitute a halo in the molecule O=C([O-])c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3ccc(Oc4ccc(C(=O)[O-])c(C(=O)[O-])c4)cc3)cc2)cc1C(=O)[O-] with a hydroxyl.,O=C([O-])c1ccc(Oc2ccc(C(O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3ccc(Oc4ccc(C(=O)[O-])c(C(=O)[O-])c4)cc3)cc2)cc1C(=O)[O-]
DelComponent,Modify the molecule hydroxyl by removing a C[NH2+]C(C[Si](C)(C)O)C(=O)[O-].,C[NH2+]C(C[Si](C)C)C(=O)[O-]
LogP,Modify the molecule CCOC(=O)C1=C(COC(=O)c2ccc(OC(F)F)cc2)NC(=O)NC1c1ccccc1 to decrease its LogP value.,CCOC(=O)C1=C(COC(=O)c2ccc(OC(F)C#N)cc2)NC(=O)NC1c1ccccc1
MR,Modify the molecule COc1ccc(C2=C(c3ccccc3)C(c3ccccc3)N(c3ccc(OC)cc3)C(C)=C2)cc1 to have a lower MR value.,COc1ccc(C2=C(c3ccccc3)C(c3ccccc3)N(OC)C(C)=C2)cc1
QED,Optimize the molecule CCC1CCCC(N(c2ccccc2)C2CCCC(c3ccc(N(c4ccccc4)C4CCCC(C)C4)cc3)CC2)C1 to have a higher QED value.,CCC1CCCC(NC2CCCC(c3ccc(N(c4ccccc4)C4CCCC(C)C4)cc3)CC2)C1
AtomNum,"Please generate a molecule with 39 carbon atoms, 9 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 5 fluorine atoms.",COc1cc2ccnc(C3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6(CF)CC6)CC5C=CCCC(C)CC(C)C(N(O)C(=O)OC(C)(C)C(F)(F)F)C(=O)N4C3)c2cc1F
BondNum,"There is a molecule composed of 15 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CCC[NH+]1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(O)c(C)c1)CC2
AddComponent,Please add a amine to the molecule COc1cc(C(C#N)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc(OC)c1OC.,COc1cc(C(C#N)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc(OCN)c1OC
SubComponent,Please substitute a halo in the molecule Cc1ncc(CNC(=O)c2ccc(Cl)cc2Br)s1 with a nitrile.,Cc1ncc(CNC(=O)c2ccc(C#N)cc2Br)s1
DelComponent,Remove a benzene ring from the molecule C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)Nc4cccs4)cc3)nn2)CC1.,C[NH+]1CCN(c2ccc(NC(=O)Nc3cccs3)nn2)CC1
LogP,Please modify the molecule CCC1CCC(C)N1C(=O)C1(C[NH3+])CCCCC1 to decrease its LogP value.,CCC1CCC(C)N1C(=O)C1(C[NH3+])CCCCC1C#N
MR,Please modify the molecule CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)c(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCCC)cc5)cc4)c3)cc2)cc1 to increase its MR value.,CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(S)c(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCCC)cc5)cc4)c3)cc2)cc1
QED,Modify the molecule Cc1nc(CCNC(=O)Cc2ccc3[nH]c(=O)c(C)cc3c2)cs1 to increase its QED value.,Cc1nc(CCc2ccc3[nH]c(=O)c(C)cc3c2)cs1
AtomNum,"Please generate a molecule consisting 28 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 iodine atoms.",Cc1ccc(CC(=O)NN=Cc2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1C
BondNum,"There is a molecule composed of 28 single bonds, 3 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",C=C(C)[NH+](CCCC(NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C)CC1)C1CC1c1ccc(F)cc1
FunctionalGroup,There is a molecule consisting of and 1 ester group.,CCOC(=O)C(C)(C)Oc1cc2c(cn1)-c1[nH+]c(-c3ncnn3C(C)C)cn1CCO2
AddComponent,Please add a carboxyl to the molecule Cc1csc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)n1.,Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)c(=O)cc2C(=O)O)n1
SubComponent,Please substitute a halo in the molecule Nc1ccc(C(=O)NC(=O)Nc2ccc(Br)cc2)cc1 with a thiol.,Nc1ccc(C(=O)NC(=O)Nc2ccc(S)cc2)cc1
DelComponent,Please remove a halo from the molecule CCCC(C)[NH2+]Cc1ccc(F)cc1Cl.,CCCC(C)[NH2+]Cc1ccc(F)cc1
LogP,Modify the molecule Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccnn1 to decrease its LogP value.,Cc1cc(C(=O)[OH])ccc1S(=O)(=O)NCc1cccnn1
MR,Optimize the molecule CC1CN(C(=O)c2cccc(F)c2Br)CCC1O to have a higher MR value.,CC1CN(C(=O)c2cccc(C#N)c2Br)CCC1O
QED,Please modify the molecule CCN1CCCC([NH2+]Cc2cc(F)c(F)c(F)c2)C1 to increase its QED value.,CCN1CCCC([NH2+]Cc2cc(O)c(F)c(F)c2)C1
AtomNum,"The molecule contains 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 fluorine atom.",COc1ccc(F)cc1C[NH2+]C1CC[NH2+]C(C)(C)C1
BondNum,"Please generate a molecule consisting 5 single bonds, 1 rotatable bond, and 16 aromatic bonds.",FC(F)(F)c1nccc(-c2coc3ccccc23)n1
FunctionalGroup,"The molecule is composed of 1 ketone group, and 1 ester group.",CCCC(=O)C#CC(=O)OC
AddComponent,Modify the molecule c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccccc5c5ccc(-n6c7ccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc7c7cc8c(cc76)C(c6ccccc6)(c6ccccc6)c6ccccc6-8)cc5c4c3)c2)cc1 by adding a amine.,Nc1cc2c3ccccc3c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c2cc1-n1c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2c2cc3c(cc21)C(c1ccccc1)(c1ccccc1)c1ccccc1-3
SubComponent,Modify the molecule C=C(c1ccccc1C)C1COC2(CCC(Nc3cc(Cl)cc(Cl)c3)CC2)OO1 by substituting a halo with a nitro.,C=C(c1ccccc1C)C1COC2(CCC(Nc3cc(Cl)cc(NO)c3)CC2)OO1
DelComponent,Modify the molecule CCCC1CCC2c3ccc(C#Cc4ccc(OC(F)(F)F)c(F)c4)cc3CCC2C1 by removing a halo.,CCCC1CCC2c3ccc(C#Cc4ccc(OC(F)F)c(F)c4)cc3CCC2C1
LogP,Optimize the molecule COc1cc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)ccc1O to have a lower LogP value.,COOc1nc2cccc(C)n2c1Nc1ccc2c(c1)OCO2
MR,Please optimize the molecule C=CCNC(=O)C1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 to have a lower MR value.,C=CCNC(=O)C1CCCN1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C
QED,Optimize the molecule OCC(O)Cn1ccnc1Cc1ccc(F)c(F)c1 to have a lower QED value.,OCC(O)(Cn1ccnc1Cc1ccc(F)c(F)c1)c1ccccc1
AtomNum,"The molecule contains 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",Cc1ccc(N2CC(NC(=O)c3ccccc3Br)CC2=O)cc1C
BondNum,"There is a molecule consisting of 13 single bonds, 3 double bonds, and 5 rotatable bonds.",CCN(CC(=O)NC)C(=O)CN(C)C(=O)OC
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 halo group.",Cc1nc(C)n(Cc2cc(C[NH3+])ccc2F)n1
AddComponent,Please add a hydroxyl to the molecule CC1CCC([NH2+]C2CCC(=O)N(C3CC3)C2c2ccnn2C)C1.,CC1CCC([NH2+]C2C(O)CC(=O)N(C3CC3)C2c2ccnn2C)C1
SubComponent,Substitute a CCN(C(=O)Cn1ccc(N)n1)C(C)c1cccc(O)c1 in the molecule hydroxyl with a thiol.,CCN(C(=O)Cn1ccc(N)n1)C(C)c1cccc(S)c1
DelComponent,Please remove a halo from the molecule O=C(OCc1cccc(Br)c1)c1ccc2c(c1)OCO2.,O=C(OCc1ccccc1)c1ccc2c(c1)OCO2
LogP,Please optimize the molecule COC(=O)c1cc(Br)cn1CC#N to have a higher LogP value.,COC(=O)c1cc(Br)cn1C(C#N)c1ccccc1
MR,Optimize the molecule COC(=O)C(CC(C)C)SCCCC(F)(F)F to have a lower MR value.,COC(=O)C(CC(C)C)SCCCC(F)F
QED,Modify the molecule Cc1[nH]c(=O)sc1C(=O)Nc1ccc(F)c(F)c1 to decrease its QED value.,Cc1[nH]c(=O)sc1C(=O)Nc1cc(F)c(F)cc1-c1ccccc1
AtomNum,"There is a molecule with 34 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCCCCCCCCCCCN1C(=O)c2ccc3c4cccc5c(N)ccc(c6ccc(c2c36)C1=O)c54
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CNc1cc(C(=O)N2C(C)CCCC2C)ccc1[N+](=O)[O-]
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, 2 halo groups, and 1 nitrile group.",Cc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1
AddComponent,Modify the molecule FC(F)(F)Oc1ccc(Oc2ccncc2Br)cc1 by adding a benzene ring.,FC(F)(F)Oc1ccc(Oc2c(Br)cncc2-c2ccccc2)cc1
SubComponent,Please substitute a COC(c1ccccc1)C([NH3+])c1ccc(F)c(F)c1 in the molecule halo with a nitro.,COC(c1ccccc1)C([NH3+])c1ccc(NO)c(F)c1
DelComponent,Please remove a N#Cc1cncc(NC2CC(=O)N(C3CCCCC3)C2)n1 from the molecule amide.,N#Cc1cncc(NCCC2CCCCC2)n1
LogP,Modify the molecule CN(C)c1ccc2c(-c3ccccc3COO)c3ccc(=[N+](C)C)cc-3oc2c1 to increase its LogP value.,CN(C)c1ccc2c(-c3ccccc3COC#N)c3ccc(=[N+](C)C)cc-3oc2c1
MR,Please optimize the molecule C[NH2+]Cc1cc(OC)ccc1Br to have a higher MR value.,C[NH2+]C(c1ccccc1)c1cc(OC)ccc1Br
QED,Modify the molecule Cc1nn(C)c(C)c1C1OCCC1NC(=O)C1C2CC3CC(C2)CC1C3 to have a lower QED value.,Cc1nn(C)c(C)c1C1OCCC1C12CC3CC(CC1C3)C2
AtomNum,"The molecule contains 18 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1[nH]c2ccccc2c1C(c1cccs1)[NH+]1CCCC1
BondNum,"The molecule is composed of 25 single bonds, 4 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C1CCCN(C(=O)N2CCC(NC(=O)C=Cc3ccc(OCC)cc3)CC2)C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 1 ketone group, 1 halo group, and 1 sulfide group.",COc1ccc(-c2csc3c2-n2cc(Br)cc2C3=O)cc1O
AddComponent,Please add a aldehyde to the molecule COc1cc(Br)cc(NCC(C)(C)CO)c1.,COc1cc(Br)cc(NCC(C)(C)CO)c1CC=O
SubComponent,Substitute a nitrile in the molecule Cc1c(C(=O)Nc2ccc(SCC[NH+]3CCOCC3)c(C#N)c2)cnn1-c1ccc(C(F)(F)F)cc1 with a hydroxyl.,Cc1c(C(=O)Nc2ccc(SCC[NH+]3CCOCC3)c(O)c2)cnn1-c1ccc(C(F)(F)F)cc1
DelComponent,Remove a halo from the molecule C=CC(=O)N1CCCC2(CCN(Cc3cccc(F)c3)C2=O)C1.,C=CC(=O)N1CCCC2(CCN(Cc3ccccc3)C2=O)C1
LogP,Optimize the molecule CC1(C)C[NH2+]Cc2c3c(cc(Br)c21)OCCO3 to have a lower LogP value.,CC1(C)C[NH2+]Cc2c3c(cc(S)c21)OCCO3
MR,Modify the molecule Cn1c(=S)[nH]c2cc(C(=O)Nc3ccc(=O)n(Cc4ccccc4Cl)c3)ccc2c1=O to have a higher MR value.,Cn1c(=S)[nH]c2cc(C(=O)Nc3cn(Cc4ccccc4Cl)c(=O)cc3N)ccc2c1=O
QED,Please optimize the molecule CCN=C1CN(c2ncc(-c3cccc(CC(C)(C)C)c3F)cc2C(C)(C)CC2CCCCC2)C1 to have a lower QED value.,CC(=O)c1c(CC(C)(C)C)cccc1-c1cnc(N2CC(=NCC)C2)c(C(C)(C)CC2CCCCC2)c1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 3 oxygen atoms, and 1 sulfur atom.",CCCCCCCCCCCCC(O)CSCC(O)CO
BondNum,"Please generate a molecule consisting 23 single bonds, 2 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",[NH3+]C(CO)c1cc(C(=O)NC2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ketone group, and 1 ester group.",CN1C(=CC(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C(C)(C)c2ccccc21
AddComponent,Add a benzene ring to the molecule C[NH+]1CCN(C(=O)C2CCCCC2)C(C[NH3+])C1.,C[NH+]1CCN(C(=O)C2CCCC(c3ccccc3)C2)C(C[NH3+])C1
SubComponent,Modify the molecule halo by substituting a COc1ccc(C[NH+](C)CC2CCCCO2)c(Cl)c1 with a hydroxyl.,COc1ccc(C[NH+](C)CC2CCCCO2)c(O)c1
DelComponent,Modify the molecule Cc1ccc(-n2nnnc2N2CC[NH+](CC(=O)Nc3nncs3)CC2)cc1 by removing a benzene ring.,Cn1nnnc1N1CC[NH+](CC(=O)Nc2nncs2)CC1
LogP,Optimize the molecule CCCn1c(C(=O)[O-])ccc1-c1cncc(Br)c1 to have a lower LogP value.,CCCn1c(C(=O)[O-])ccc1-c1cncc(S)c1
MR,Optimize the molecule Cc1cccc(C(=O)Nc2csc(-c3ccc(Cl)cc3Cl)c2C(=O)[O-])c1 to have a higher MR value.,Cc1cccc(C(=O)Nc2csc(-c3ccc(S)cc3Cl)c2C(=O)[O-])c1
QED,Modify the molecule CCNC(NCc1c(CC)nn(C)c1CC)=[NH+]Cc1cccc(C(F)(F)F)c1 to have a lower QED value.,CCNC(NC(O)c1c(CC)nn(C)c1CC)=[NH+]Cc1cccc(C(F)(F)F)c1
AtomNum,"There is a molecule composed of 9 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 4 fluorine atoms, and 2 chlorine atoms.",O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCC(F)(F)C(F)F
BondNum,"There is a molecule consisting of 16 single bonds, and 4 rotatable bonds.",CC1CC(C([NH3+])CCC2CCCO2)CO1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 2 amide groups.",COc1cc(C(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC3CC(C2)c2cccc(=O)n2C3)cc(OC)c1OC
AddComponent,Please add a amine to the molecule [NH3+]CC1CCC(C(=O)c2cscn2)O1.,Nc1nc(C(=O)C2CCC(C[NH3+])O2)cs1
SubComponent,Please substitute a O=C([O-])C1(c2cc(Cl)cc3c2CCC3)CCCCC1 in the molecule halo with a hydroxyl.,O=C([O-])C1(c2cc(O)cc3c2CCC3)CCCCC1
DelComponent,Please remove a O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)c3ccccc3n2)cc1 from the molecule benzene ring.,O=[N+]([O-])CSc1nc(-c2ccccc2)c2ccccc2n1
LogP,Modify the molecule CC(=O)OC(CN(CC(C)C)S(=O)(=O)c1ccc(OCc2ccccc2)c(NS(=O)(=O)c2cccnc2)c1)C(Cc1ccccc1)NC(=O)OC(C)(C)C to increase its LogP value.,CC(=O)OC(CN(CC(C)C)S(=O)(=O)c1ccc(OCc2ccccc2)c(S(=O)(=O)c2cccnc2)c1)C(Cc1ccccc1)NC(=O)OC(C)(C)C
MR,Optimize the molecule CCCCCCCS(=O)(=O)c1ccc(-c2ccc(OCC)cc2)cc1 to have a lower MR value.,CCCCCCCS(=O)(=O)c1ccc(OCC)cc1
QED,Please modify the molecule CCC(C)C([NH3+])C(=O)c1ccc(C)c(F)c1 to increase its QED value.,CCC(C)C([NH3+])C(=O)c1ccc(Cc2ccccc2)c(F)c1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 3 nitrogen atoms, and 1 fluorine atom.",NC(NC1CCCC1)=[NH+]CCc1ccccc1F
BondNum,"There is a molecule composed of 20 single bonds, 1 double bond, and 3 rotatable bonds.",CC(C)([NH3+])C(=O)N1CCC[NH+](CC2CCCCC2)CC1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amine group, 1 halo group, and 1 nitrile group.",N#CC1(c2ccccc2)CCN(C(=S)Nc2ccccc2Cl)CC1
AddComponent,Modify the molecule Cn1c(=O)c(C(=O)N2CCN(c3ccccc3)CC2)cc2cccnc21 by adding a benzene ring.,O=C(c1cc2cccnc2n(Cc2ccccc2)c1=O)N1CCN(c2ccccc2)CC1
SubComponent,Modify the molecule Cc1ccc(CNC(=O)c2ccc(Nc3ccccc3F)cn2)cc1 by substituting a halo with a nitrile.,Cc1ccc(CNC(=O)c2ccc(Nc3ccccc3C#N)cn2)cc1
DelComponent,Modify the molecule amide by removing a COc1ccc(Cn2nc(C)c(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c2C)cc1OC.,COc1ccc(Cn2nc(C)c(-n3nc(C)c([N+](=O)[O-])c3C)c2C)cc1OC
LogP,Optimize the molecule CCc1cc(=O)oc2cc(OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)c(Cl)cc12 to have a lower LogP value.,CC(=O)c1cc2c(CC)cc(=O)oc2cc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
MR,Please modify the molecule CCC1CN(c2ccc(C#N)c3ccccc23)CCC1[NH3+] to increase its MR value.,CCC1CN(c2ccc(C(=O)[OH])c3ccccc23)CCC1[NH3+]
QED,Optimize the molecule COc1ccccc1NCCC(=O)OCC(=O)Nc1ccccc1Cl to have a lower QED value.,COc1c(NCCC(=O)OCC(=O)Nc2ccccc2Cl)cccc1-c1ccccc1
AtomNum,"The molecule is composed of 13 carbon atoms, 3 nitrogen atoms, and 1 bromine atom.",CCCn1ncnc1CCCC(Br)C(C)(C)C
BondNum,"Please generate a molecule consisting 17 single bonds, 4 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",COc1ccc(F)cc1C([O-])=C1C(=O)C(=O)N(c2ccc(C)c(C)c2)C1c1ccc(OC(C)=O)cc1
FunctionalGroup,"There is a molecule with 1 amide group, 1 halo group, and 1 sulfide group.",O=C(NCCN1CC[NH2+]CC1)c1csc(I)c1
AddComponent,Please add a amine to the molecule Cc1ccc(Br)c(C(Cl)Cc2cccc(F)c2F)c1.,Cc1cc(C(Cl)Cc2cccc(F)c2F)c(Br)cc1N
SubComponent,Please substitute a Fc1cc(NC2=[NH+]CCN2)c(F)cc1Br in the molecule halo with a nitro.,ONc1cc(NC2=[NH+]CCN2)c(F)cc1Br
DelComponent,Remove a Cc1sc2ncnc(OCC(=O)N(C)C)c2c1C from the molecule amide.,CCOc1ncnc2sc(C)c(C)c12
LogP,Optimize the molecule CCC(C)(C)C1CCc2nc(SCC(=O)Nc3c(C)cccc3C)c(C#N)cc2C1 to have a lower LogP value.,CCC(C)(C)C1CCc2nc(SCC(=O)Nc3c(C)cccc3C)c(C(=O)[OH])cc2C1
MR,Optimize the molecule CCn1ncnc1C(C)(O)C(C)[NH3+] to have a higher MR value.,CC([NH3+])C(C)(O)c1ncnn1CCO
QED,Please optimize the molecule N#CC1(NC(=O)C(CCC(F)(F)Cc2ccccc2)NC(=O)N2CC[NH2+]CC2)CC1 to have a higher QED value.,N#CC1(NC(=O)C(CCC(F)Cc2ccccc2)NC(=O)N2CC[NH2+]CC2)CC1
AtomNum,"The molecule has 23 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 fluorine atom.",COc1ccc(-c2nc(NCc3ccc(F)cc3)n(C(=O)c3ccccc3[N+](=O)[O-])n2)cc1
BondNum,"There is a molecule consisting of 28 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCC(O)(CC(C)C)C(=O)OC1C(C)C=C2c3cc4c(cc3CC[NH+]3CCCC213)OCO4
FunctionalGroup,"The molecule contains 1 benzene ring group, and 3 amine groups.",CCOCc1ccccc1CNC(Nc1ccc2c(c1)OCCCO2)=[NH+]C
AddComponent,Add a amine to the molecule C[NH2+]Cc1cccc(Cl)c1OCCOc1ccccc1.,C[NH2+]Cc1c(N)ccc(Cl)c1OCCOc1ccccc1
SubComponent,Substitute a CCOc1ccc(NC(=O)CC2SC(=[NH+]c3ccc(F)cc3)N(C)C2=O)cc1 in the molecule halo with a aldehyde.,CC(=O)c1ccc([NH+]=C2SC(CC(=O)Nc3ccc(OCC)cc3)C(=O)N2C)cc1
DelComponent,Please remove a COc1cc(C2C3=CCC4C(=O)N(Cc5cccs5)C(=O)C4C3CC3=C2C(=O)C(C)=CC3=O)cc(Cl)c1O from the molecule halo.,COc1cc(C2C3=CCC4C(=O)N(Cc5cccs5)C(=O)C4C3CC3=C2C(=O)C(C)=CC3=O)ccc1O
LogP,Modify the molecule COC1(C(=O)[O-])CC(NC(=O)c2cccc([N+](=O)[O-])c2)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(-c3ccccc3)cc2)O1 to have a higher LogP value.,COC1(C(=O)[O-])CC(NC(=O)c2cccc([N+](=O)[O-])c2)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)O1
MR,Optimize the molecule Cc1nc(N2CC3CN(C(=O)c4cccnc4-c4ccnn4C4CCCCO4)CC3C2)nc(C)c1C to have a higher MR value.,Cc1nc(N2CC3CN(C(=O)c4cccnc4-c4ccnn4C4CCCCO4)CC3C2)nc(CO)c1C
QED,Please optimize the molecule [NH3+]CCOCCOCC(=O)NCCOCCOCC(=O)NC[NH3+] to have a lower QED value.,[NH3+]CCOCC(OCC(=O)NCCOCCOCC(=O)NC[NH3+])c1ccccc1
AtomNum,"The molecule has 34 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCc1ccc(NC(=O)C=CC(=O)OC)cc1
BondNum,"The molecule is composed of 10 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",O=C(COc1ncnc2sccc12)NC1CCCc2ccccc21
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 2 amide groups, and 1 nitro group.",CC(=O)N(C)CCN(C)c1cncc(Oc2ccc(-c3ccc([N+](=O)[O-])cn3)c(C(=O)N(C)CCN(C)c3cncc(Oc4ccc(-c5ccc(N6CCOCC6)nc5)cc4)n3)c2)n1
AddComponent,Add a benzene ring to the molecule Clc1ccc(Br)c2c1CCN2.,Clc1ccc(Br)c2c1CC(c1ccccc1)N2
SubComponent,Substitute a CC(C)c1ccc2c(c1)nc(CO)n2Cc1ccc(F)cc1 in the molecule hydroxyl with a thiol.,CC(C)c1ccc2c(c1)nc(CS)n2Cc1ccc(F)cc1
DelComponent,Remove a CCN(CC([NH2+]C)c1cccc(OC)c1)C(C)C from the molecule benzene ring.,CCN(CC([NH2+]C)OC)C(C)C
LogP,Modify the molecule CC(C)(C)OC(=O)N1CCOc2ncc(S(=O)(=O)Cl)cc21 to have a lower LogP value.,CC(C)(C)OC(=O)N1CCOc2ncc(S(=O)(=O)O)cc21
MR,Optimize the molecule CC1CC(C)C(C[NH+](C)CCC[NH+](C)C)C(O)C1 to have a lower MR value.,CC1CCC(C[NH+](C)CCC[NH+](C)C)C(C)C1
QED,Modify the molecule CCC[NH2+]C(c1cc(Br)ccc1C)c1c(Cl)cnn1C to decrease its QED value.,CC(=O)c1ccc(C)c(C([NH2+]CCC)c2c(Cl)cnn2C)c1
AtomNum,"The molecule is composed of 10 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 chlorine atoms.",Nc1ccc(Oc2nc[nH]c(=O)c2Cl)cc1Cl
BondNum,"The molecule has 13 single bonds, 2 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",COC(=O)C(NC(=O)c1ncc(-c2ccc(NCc3ccccc3)cc2)s1)C(C)C
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amine group, and 1 nitrile group.",Cc1c(N)cccc1CN(CCC#N)c1ccccc1
AddComponent,Please add a thiol to the molecule O=[N+]([O-])c1cccc(-n2cc(-c3ccccc3)nn2)c1.,O=[N+]([O-])c1cccc(-n2cc(-c3ccccc3)nn2)c1S
SubComponent,Please substitute a nitrile in the molecule N#Cc1cccc(C2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)C2)c1 with a halo.,O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(c2cccc(I)c2)C1
DelComponent,Modify the molecule halo by removing a O=C(c1ccc(F)cc1)c1c[nH]c(=O)[nH]c1=O.,O=C(c1ccccc1)c1c[nH]c(=O)[nH]c1=O
LogP,Please optimize the molecule CCN(C1=C(c2ccc(NC(C)=O)cc2)C(=O)N(c2ccccc2F)C1=O)c1ccccc1 to have a lower LogP value.,CCN(C1=C(c2ccc(NC(C)=O)c(N)c2)C(=O)N(c2ccccc2F)C1=O)c1ccccc1
MR,Optimize the molecule O=C(NCC(=O)N1CCN(c2ccc(Br)cc2)CC1)OCc1ccccc1 to have a lower MR value.,O=C(OCc1ccccc1)N1CCN(c2ccc(Br)cc2)CC1
QED,Please optimize the molecule CCC(O)c1ccccc1OCc1cc(C)no1 to have a lower QED value.,CCC(O)c1cc(C(=O)O)ccc1OCc1cc(C)no1
AtomNum,"The molecule contains 34 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 silicon atom.",CCOC(=O)c1ccc(-c2ccc(OCCCO[Si](C)(C)C(C)(C)C)c(-c3ccc(N4CCCC4)cc3)c2)cc1
BondNum,"The molecule consists of 25 single bonds, 3 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CC(=O)c1ccc(NC(=O)N(CCC[NH+]2CC3CN(C(=O)c4c(C)ccnc4C)CC3C2)c2ccc(C)c(Cl)c2)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ester group, 1 amide group, and 1 halo group.",COC(=O)C(c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cc(C)cc(C)c2)CC1
AddComponent,Modify the molecule CC1C(C[NH+]2CC3(C)CC2CC(C)(C)C3)OC(c2ccc(-c3ccccc3CNS(=O)(=O)c3ccccc3)cc2)OC1c1ccc(CO)cc1 by adding a hydroxyl.,CC1C(C[NH+]2CC3(C)CC2C(O)C(C)(C)C3)OC(c2ccc(-c3ccccc3CNS(=O)(=O)c3ccccc3)cc2)OC1c1ccc(CO)cc1
SubComponent,Substitute a hydroxyl in the molecule Cc1cc(C)c(O)c(NC(=O)Cn2cc(C[NH3+])nn2)c1 with a halo.,Cc1cc(C)c(Cl)c(NC(=O)Cn2cc(C[NH3+])nn2)c1
DelComponent,Modify the molecule benzene ring by removing a [NH3+]C(Cc1ccccc1)C(=O)NC1N=C(C2=CCCCC2)c2ccccc2-n2ccnc21.,CC([NH3+])C(=O)NC1N=C(C2=CCCCC2)c2ccccc2-n2ccnc21
LogP,Modify the molecule c1ccc(N2CC[NH2+]CC2CCCNc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 to have a lower LogP value.,c1ccc2[nH]c(-c3ccc(NCCCC4C[NH2+]CCN4)cc3)nc2c1
MR,Please modify the molecule CCn1c(CSc2ccccc2)nnc1SCCCOc1ccc(Cl)cc1 to decrease its MR value.,CCn1c(CSc2ccccc2)nnc1SCCCOc1ccc(O)cc1
QED,Please optimize the molecule CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3C)C2=O)cc1 to have a higher QED value.,CCON1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)cc2C)C1=O
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC1CCC(C[NH2+]Cc2ccc(OCC#N)cc2)CC1
BondNum,"Please generate a molecule composed of 16 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)c1ccc(NC(=S)NC2CC[NH+](CC)CC2)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 3 amine groups, and 1 halo group.",CCc1noc(CC)c1CNC(NCC(c1cccc(Cl)c1)[NH+]1CCOCC1)=[NH+]C
AddComponent,Please add a benzene ring to the molecule Cc1cncc(C(=O)Nc2c(N)cc(Br)cc2Br)c1.,Cc1cc(C(=O)Nc2c(N)cc(Br)cc2Br)cnc1-c1ccccc1
SubComponent,Modify the molecule O=C([O-])C(Cc1ccc(Cl)cc1)[NH+]1CCOCC1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(CC(C(=O)[O-])[NH+]2CCOCC2)cc1
DelComponent,Modify the molecule hydroxyl by removing a O=Cc1ccc2cccc(-c3ccccc3)c2c1O.,O=Cc1ccc2cccc(-c3ccccc3)c2c1
LogP,Optimize the molecule CC[NH+](C)CCNS(=O)(=O)N(C)CCC[NH3+] to have a higher LogP value.,CC[NH+](C)CCS(=O)(=O)N(C)CCC[NH3+]
MR,Please modify the molecule Cc1cc(NC(=O)c2ccc(Br)cc2C(F)(F)F)on1 to increase its MR value.,Cc1noc(NC(=O)c2ccc(Br)cc2C(F)(F)F)c1-c1ccccc1
QED,Please modify the molecule Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)cc1Br to decrease its QED value.,Cc1ccc(NC(=O)CSc2nnc(-c3c(-c4ccccc4)coc3C)n2C)cc1Br
AtomNum,"The molecule has 26 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])n2C2CCCCC2)cc1
BondNum,"There is a molecule composed of 14 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",Cc1ccc(OCC(=O)N2CCN(c3nc4c(C)c(C)ccc4s3)CC2)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 ketone group.",CCOc1ccc(C(=O)C[NH+](CC)CC2CC2)cc1
AddComponent,Modify the molecule CCS(=O)(=O)c1cc(C(=O)NC23CCCC(CC2)[NH+]3C)c(OC)cc1N by adding a benzene ring.,CCS(=O)(=O)c1c(N)cc(OC)c(C(=O)NC23CCCC(CC2)[NH+]3C)c1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a C#Cc1cccc(NC(=O)CNC(=O)CCCc2ccc(Cl)c(Cl)c2)c1 with a hydroxyl.,C#Cc1cccc(NC(=O)CNC(=O)CCCc2ccc(O)c(Cl)c2)c1
DelComponent,Remove a Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CC(=O)N(Cc2ccco2)C1 from the molecule benzene ring.,CN(C)C(=O)CN(C)C(=O)C1CC(=O)N(Cc2ccco2)C1
LogP,Modify the molecule O=C(OCc1csc(-c2cccs2)n1)c1cc(F)c(F)cc1Cl to have a lower LogP value.,O=C(OCc1csc(-c2cccs2)n1)c1ccc(F)cc1Cl
MR,Modify the molecule CCC(C)C(N=C(O)C(CCCNC(N)=[NH2+])N=C(O)C(Cc1cnc[nH]1)N=C(O)C([NH3+])CO)C(O)=NC(CO)C(O)=NC(CC(=O)[O-])C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(CC(=O)[O-])C(O)=NC(Cc1ccc(OS(=O)(=O)[O-])cc1)C(O)=NC(CCSC)C(O)=NCC(O)=NC(Cc1c[nH]c2ccccc12)C(O)=NC(CCSC)C(O)=NC(CC(=O)[O-])C(O)=NC(Cc1ccccc1)C(=N)O to decrease its MR value.,CCC(C)C(N=C(O)C(CCCNCN)N=C(O)C(Cc1cnc[nH]1)N=C(O)C([NH3+])CO)C(O)=NC(CO)C(O)=NC(CC(=O)[O-])C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(CC(=O)[O-])C(O)=NC(Cc1ccc(OS(=O)(=O)[O-])cc1)C(O)=NC(CCSC)C(O)=NCC(O)=NC(Cc1c[nH]c2ccccc12)C(O)=NC(CCSC)C(O)=NC(CC(=O)[O-])C(O)=NC(Cc1ccccc1)C(=N)O
QED,Optimize the molecule C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1csc(C)c1C to have a lower QED value.,C=CCn1c(SCC(=O)Nc2cccc(C#N)c2[N+](=O)[O-])nnc1-c1csc(C)c1C
AtomNum,"The molecule has 10 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CCCS(=O)(=O)Nc1nc(C(=O)C(=O)OCC)cs1
BondNum,"Please generate a molecule with 16 single bonds, 3 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)CSCC(=O)Nc3ccccc3)cc2)no1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amide group.",O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(-c2cnc3ccccc3n2)c1
AddComponent,Modify the molecule O=C(CNC(=O)c1ccccc1F)NNC(=O)CC12CC3CC(CC(C3)C1)C2 by adding a hydroxyl.,O=C(CNC(=O)c1ccccc1F)NNC(=O)CC12CC3CC(CC(O)(C3)C1)C2
SubComponent,Please substitute a hydroxyl in the molecule CC(C)OC(=O)COC1CCN(C(=O)C(Cc2ccc(O)cc2)NC(=O)c2ccc(C(N)=[NH2+])cc2)CC1 with a halo.,CC(C)OC(=O)COC1CCN(C(=O)C(Cc2ccc(Br)cc2)NC(=O)c2ccc(C(N)=[NH2+])cc2)CC1
DelComponent,Remove a CCCC1CCN(C(=O)c2ccc(Br)cc2N)CC1 from the molecule halo.,CCCC1CCN(C(=O)c2ccccc2N)CC1
LogP,Modify the molecule COC(=O)c1cc(I)nc(C(F)F)c1CBr to have a lower LogP value.,CC(=O)c1cc(C(=O)OC)c(CBr)c(C(F)F)n1
MR,Please modify the molecule Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NCCC[NH+]1CCCC1 to increase its MR value.,Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)NCCC[NH+]1CCCC1
QED,Modify the molecule COc1ccccc1C1C[NH2+]CCN1CCC(=O)Nc1ccc(F)cc1 to have a lower QED value.,COC1C[NH2+]CCN1CCC(=O)Nc1ccc(F)cc1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 4 fluorine atoms.",CN(CC1COc2ccccc2O1)C(=O)COCC(F)(F)C(F)F
BondNum,"Please generate a molecule composed of 7 single bonds, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",N#CCC(N)c1ccc(Br)c(O)c1O
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 halo group.",Cc1cc(Cl)cc(OCC[NH3+])c1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1Cl.,Cc1cc(O)c(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1Cl
SubComponent,Please substitute a hydroxyl in the molecule O=C(NCc1ccc(-n2ccnc2)cc1)C1(O)CCCC1 with a aldehyde.,CC(=O)C1(C(=O)NCc2ccc(-n3ccnc3)cc2)CCCC1
DelComponent,Modify the molecule amine by removing a CC1CC(n2cc(I)c3c(N)ncnc32)OC1(CO)CO.,CC1CC(n2cc(I)c3cncnc32)OC1(CO)CO
LogP,Optimize the molecule COC12C(COC(N)=O)c3c(O)c(N=O)c(C)c(OC(C)=O)c3N1CC1[NH2+]C12 to have a higher LogP value.,COC12C(COC(N)=O)c3c(C#N)c(N=O)c(C)c(OC(C)=O)c3N1CC1[NH2+]C12
MR,Modify the molecule C#CC(CC)NC(=O)c1sccc1Br to increase its MR value.,C#CC(CC)(NC(=O)c1sccc1Br)c1ccccc1
QED,Please optimize the molecule COc1ccc(NC(=O)CCCCCn2c(SCC(=O)c3ccccc3)nc3ccsc3c2=O)cc1 to have a higher QED value.,COc1ccc(CCCCn2c(SCC(=O)c3ccccc3)nc3ccsc3c2=O)cc1
AtomNum,"The molecule contains 19 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCCc1cc(=O)nc(SCC(=O)NCC(=O)Nc2ccccc2CC)[nH]1
BondNum,"The molecule is composed of 6 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",CCC(Nc1cnns1)c1ccc(C)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ketone group, and 1 halo group.",CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Br)c1OCC
AddComponent,Modify the molecule Cc1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1I by adding a carboxyl.,Cc1cc(C(=O)O)c(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1I
SubComponent,Substitute a NS(=O)(=O)c1cc(Cl)ccc1NC(=O)C1CCCC1 in the molecule halo with a nitrile.,N#Cc1ccc(NC(=O)C2CCCC2)c(S(N)(=O)=O)c1
DelComponent,Remove a COCC(=O)NNC(=S)Nc1sc(C)c(C)c1C(=O)OC from the molecule amine.,COCC(=O)NC(=S)Nc1sc(C)c(C)c1C(=O)OC
LogP,Modify the molecule O=C(C1CCCO1)N1CC[NH+]=C1c1cccc(Cl)c1 to have a higher LogP value.,O=C(N1CC[NH+]=C1c1cccc(Cl)c1)C1(c2ccccc2)CCCO1
MR,Modify the molecule CCc1ccc(NC(=S)NNC(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)cc1 to have a higher MR value.,CCc1ccc(NC(=S)NNC(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)c(-c2ccccc2)c1
QED,Modify the molecule C=CC(=O)Nc1nccs1 to decrease its QED value.,Cc1nccs1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)n1
BondNum,"Please generate a molecule composed of 15 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",O=c1n(CC[NH2+]C2CCCCCC2)ccn1C1CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 sulfide groups, and 1 sulfone group.",Cc1nc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)s2)cs1
AddComponent,Please add a benzene ring to the molecule CCC(=O)N1CCC[N+](C)(C)CC1.,CCC(=O)N1CC[N+](C)(C)CCC1c1ccccc1
SubComponent,Modify the molecule COc1ccc(C(CC(C)C)NC(=O)C2CCC[NH+](Cc3ccc(F)cc3)C2)cc1 by substituting a halo with a nitrile.,COc1ccc(C(CC(C)C)NC(=O)C2CCC[NH+](Cc3ccc(C#N)cc3)C2)cc1
DelComponent,Modify the molecule Cc1nccn1-c1cc(N2CCC(CCNS(N)(=O)=O)CC2)ncn1 by removing a amine.,Cc1nccn1-c1cc(N2CCC(CCN[SH](=O)=O)CC2)ncn1
LogP,Please optimize the molecule CCC(C)NC(=O)c1cc(Nc2cccc(C(C)=O)c2)nc(C)n1 to have a lower LogP value.,CCC(C)NC(=O)c1cc(Nc2cccc(C(C)=O)c2O)nc(C)n1
MR,Please optimize the molecule CC1CN(C(=O)c2ccc(CNc3nccc(Oc4ccc(F)cc4)n3)cc2)CC(C)O1 to have a higher MR value.,CC1CN(C(=O)c2ccc(CNc3nccc(Oc4ccc(S)cc4)n3)cc2)CC(C)O1
QED,Modify the molecule CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)C)NC(=O)C(CCC[NH3+])NC1=O to increase its QED value.,CC(C)CC1NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)C)NC(=O)C(CCC[NH3+])NC(=O)C(CC(C)C)C(c2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC1=O
AtomNum,"There is a molecule consisting of 17 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 3 sulfur atoms.",CSc1ccccc1NC(=O)CCSc1nnc(-c2cccs2)n1C
BondNum,"The molecule is composed of 25 single bonds, 7 rotatable bonds, and 16 aromatic bonds.",Cc1[nH]c(C[NH+]2CCC(c3nnnn3Cc3ccccc3)([N+]3(C4CCC4)CCCNCC3)CC2)c[nH+]1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, and 1 halo group.",CC1C[NH+](Cc2ccccc2)CC1Nc1ccc(F)cn1
AddComponent,Modify the molecule COCC1CC(CO)C(NC(=S)NC(=O)c2ccccc2)(c2ccccc2F)CO1 by adding a benzene ring.,COCC1CC(CO)C(NC(=S)NC(=O)c2cccc(-c3ccccc3)c2)(c2ccccc2F)CO1
SubComponent,Please substitute a halo in the molecule [NH3+]Cc1ccc(Oc2ccc(Br)cc2Br)nc1 with a carboxyl.,[NH3+]Cc1ccc(Oc2ccc(C(=O)[OH])cc2Br)nc1
DelComponent,Please remove a CC1(O)CCCN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 from the molecule halo.,CC1(O)CCCN(C(=O)NCC2(c3ccccc3)CCC2)CC1
LogP,Please modify the molecule CC(=O)NCc1ccc(C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 to increase its LogP value.,Cc1ccc(C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1
MR,Please optimize the molecule CCN(CC1CCC[NH2+]C1)C(=O)C1(C)CCCC1 to have a higher MR value.,CCN(CC1(N)CCC[NH2+]C1)C(=O)C1(C)CCCC1
QED,Please optimize the molecule CCC1CN(C(=O)Nc2ccccc2)CCC1=NO to have a lower QED value.,CCC1CN(C(N)=O)CCC1=NO
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cc1cccc(C(=O)N2CC[NH+](Cc3nnc4n3CCCCC4)CC2)n1
BondNum,"The molecule contains 14 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",O=C(CCCSc1ccccc1Br)NC1CCCCC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 amide groups.",C=CCN1C(=O)C(C)Oc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21
AddComponent,Please add a hydroxyl to the molecule COCC[NH+](CCCNc1ccccc1)C(C)C.,COCC[NH+](C(C)C)C(O)CCNc1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1ccc(Cl)c(-n2c(O)c(Cl)c(N3CC[NH+](C)CC3)c2O)c1Cl with a thiol.,Cc1ccc(S)c(-n2c(O)c(Cl)c(N3CC[NH+](C)CC3)c2O)c1Cl
DelComponent,Please remove a halo from the molecule CSC(I)(N(C)c1ccccc1)N(C)c1ccccc1.,CSC(N(C)c1ccccc1)N(C)c1ccccc1
LogP,Please modify the molecule Fc1cccc(Br)c1NCc1nnnn1-c1ccccc1 to increase its LogP value.,CC(=O)c1cccc(Br)c1NCc1nnnn1-c1ccccc1
MR,Please modify the molecule [NH3+]C1CCCN(c2ccccc2OCc2ccccc2)C1 to decrease its MR value.,[NH3+]C1CCCN(OCc2ccccc2)C1
QED,Optimize the molecule CCNC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)c1 to have a lower QED value.,CC(=O)c1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)NCC)c3)n2CC)cc1
AtomNum,"The molecule consists of 17 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COc1ccc2c(c1)N(CCOC(C)=O)C(C)(C)C=C2C
BondNum,"Please generate a molecule with 7 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CSc1ccc(C=CC(=O)[O-])c(F)c1I
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 3 halo groups.",Cc1nn(CC(=O)Nc2ncn(Cc3ccc(F)cc3Cl)n2)c(C)c1Cl
AddComponent,Add a thiol to the molecule Cc1ccc(C(Nc2ccccc2F)C(=O)N2CCCC2c2ccccc2F)cc1.,Cc1ccc(C(Nc2ccccc2F)C(=O)N2CCCC2c2ccccc2F)c(S)c1
SubComponent,Substitute a halo in the molecule O=C(Nc1ccc(N2CCCCC2)cc1)Oc1nn(Cc2cc(-c3ccc(Cl)s3)on2)c2ccccc12 with a nitro.,ONc1ccc(-c2cc(Cn3nc(OC(=O)Nc4ccc(N5CCCCC5)cc4)c4ccccc43)no2)s1
DelComponent,Remove a CC(=O)N=C(C=C(C)[NH3+])N[NH2+]Nc1ccccc1N from the molecule benzene ring.,CC(=O)N=C(C=C(C)[NH3+])N[NH2+]NN
LogP,Modify the molecule CCCCCCCCc1ccc(-c2ccc(OCCCCCCCCCCc3cc(Br)sc3Br)cc2)cc1 to have a lower LogP value.,CCCCCCCCc1ccc(-c2ccc(OCCCCCCCCCCc3ccsc3Br)cc2)cc1
MR,Modify the molecule CC(NC(=O)c1cnc(N(C)C)nc1Cl)c1ccccc1 to have a higher MR value.,CC(NC(=O)c1cnc(N(C)C)nc1Cl)c1ccc(C(=O)O)cc1
QED,Please modify the molecule CC(CCCC1CCC1)C(O)C(O)C(O)CO to decrease its QED value.,CC(CCCC1CCC1)C(NO)C(O)C(O)CO
AtomNum,"The molecule consists of 23 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 3 bromine atoms.",N#CC(=Cc1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(Br)cc1
BondNum,"There is a molecule composed of 10 single bonds, 1 double bond, 7 rotatable bonds, and 5 aromatic bonds.",COC(=O)C(C)CSCCCn1ccnc1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 nitrile group.",Cc1noc(C)c1C(=O)N1CC(n2cc(C#N)cn2)C1
AddComponent,Modify the molecule CCOC(=O)OCCN1CCCC1=O by adding a thiol.,O=C(OCCS)OCCN1CCCC1=O
SubComponent,Please substitute a Cc1cccnc1OCC1CCN(CC(O)C(F)(F)F)CC1 in the molecule hydroxyl with a thiol.,Cc1cccnc1OCC1CCN(CC(S)C(F)(F)F)CC1
DelComponent,Please remove a CN(c1ccccc1)S(=O)(=O)c1cccnc1N from the molecule amine.,CN(c1ccccc1)S(=O)(=O)c1cccnc1
LogP,Modify the molecule NC(=O)CCN1CC(=O)NCCC1=O to have a higher LogP value.,NC(=O)CC1CNC(=O)C1
MR,Please optimize the molecule CCNC(=O)C(C)c1ccccc1 to have a lower MR value.,CCNC(=O)CC
QED,Please optimize the molecule NC1=[NH+]C(c2ccc(O)cc2)=CC(c2ccccc2[N+](=O)[O-])S1 to have a lower QED value.,NC1=[NH+]C(c2ccc(I)cc2)=CC(c2ccccc2[N+](=O)[O-])S1
AtomNum,"The molecule contains 21 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 sulfur atoms.",O=C(CSCCc1ccccc1)Nc1ccc(-c2cn3ccsc3[nH+]2)cc1
BondNum,"Please generate a molecule composed of 11 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(CN(C(=O)CCn2ccccc2=O)C2CC2)c1
FunctionalGroup,The molecule is composed of and 4 ester groups.,CC1CCC(C(=O)OCCC(C)(C)COC(=O)C2CCC(C)CC2C(=O)OCC2CO2)C(C(=O)OCC2CO2)C1
AddComponent,Please add a hydroxyl to the molecule CCC[NH2+]C(c1cc(Br)ccc1OC)c1sccc1Br.,COc1ccc(Br)cc1C([NH2+]CCCO)c1sccc1Br
SubComponent,Modify the molecule hydroxyl by substituting a CNC(=O)C(Cc1ccccc1)N1C(=O)CC(CSC2=CCC(O)([N+](C)(C(=O)CN)C(=O)OC(C)(C)C)C=C2CC(C)C)C1=O with a aldehyde.,CC(=O)C1([N+](C)(C(=O)CN)C(=O)OC(C)(C)C)C=C(CC(C)C)C(SCC2CC(=O)N(C(Cc3ccccc3)C(=O)NC)C2=O)=CC1
DelComponent,Modify the molecule CNC(=O)OCC(C)(CO)C(C)C by removing a hydroxyl.,CNC(=O)OCC(C)(C)C(C)C
LogP,Modify the molecule O=C(NC1CCCC1c1ccccc1)N1CCCC(N2CC[NH2+]CC2=O)C1 to have a higher LogP value.,O=C(NC1CCCC1c1ccccc1)N1CCCC(C2C[NH2+]2)C1
MR,Optimize the molecule COc1ccc(CCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1OC to have a higher MR value.,COc1ccc(CCCNC(=O)CN2C(=O)c3cccc4cc(O)cc2c34)cc1OC
QED,Modify the molecule Cc1ccccc1OCCC(=O)N1CC(CC(=O)[O-])C1 to have a lower QED value.,O=C([O-])CC1CN(C(=O)CCOc2ccccc2CO)C1
AtomNum,"The molecule contains 34 carbon atoms, 7 oxygen atoms, and 6 nitrogen atoms.",COc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)N4CCOCC4)cc3C)CC2)cc1NC(=O)C(C)C
BondNum,"The molecule contains 12 single bonds, 3 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",O=C([O-])C=Cc1cnc(NC(=O)C2CCCCC2)s1
FunctionalGroup,The molecule is composed of and 1 amide group.,Cc1ccnc(NC(=O)C2CC[NH+](CCOC3CCCCC3C)CC2)c1
AddComponent,Modify the molecule Cc1cccc(OCc2cc3cccc(N)c3s2)c1 by adding a hydroxyl.,Cc1ccc(O)c(OCc2cc3cccc(N)c3s2)c1
SubComponent,Substitute a CCc1c(C[NH3+])cc(C#N)cc1CC(=O)OC in the molecule nitrile with a thiol.,CCc1c(C[NH3+])cc(S)cc1CC(=O)OC
DelComponent,Remove a halo from the molecule CCOC(=O)Nc1ccc2c(C[NH+]3CCCC3c3ccc(F)cc3)cc(=O)oc2c1.,CCOC(=O)Nc1ccc2c(C[NH+]3CCCC3c3ccccc3)cc(=O)oc2c1
LogP,Optimize the molecule Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cc(C(=O)NC(C)C)ccc3Cl)CC2)cccc1C(=O)Nc1ccccc1 to have a higher LogP value.,Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cc(C(=O)NC(C)C)ccc3Cl)CC2c2ccccc2)cccc1C(=O)Nc1ccccc1
MR,Optimize the molecule CCNC(=S)NN=Cc1cccc(OC)c1OCc1cccc(C(=O)[O-])c1 to have a lower MR value.,CCC(=S)NN=Cc1cccc(OC)c1OCc1cccc(C(=O)[O-])c1
QED,Please optimize the molecule CCCCCCn1cc(C(=O)Nc2ccc(CCO)cc2)[nH+]c1CC(=O)OCC to have a lower QED value.,CCOC(=O)Cc1[nH+]c(C(=O)Nc2ccc(CCO)cc2)cn1CCCCCCc1ccccc1
AtomNum,"There is a molecule composed of 13 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CCCc1nc(Cl)c(C)c(Sc2ccc(Cl)cn2)n1
BondNum,"The molecule is composed of 5 single bonds, 2 double bonds, 3 rotatable bonds, and 18 aromatic bonds.",Fc1ccc(C=NN=c2ccn(-c3ccc(Cl)cc3)cc2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amine groups, 1 thioether group, and 1 sulfide group.",COc1cccc(C2=[NH+]CCCN2)c1CSc1cccc2ccccc12
AddComponent,Modify the molecule Cc1nc2c(C)cc(C)c(C)c2c(=O)o1 by adding a hydroxyl.,Cc1nc2c(C)cc(C)c(CO)c2c(=O)o1
SubComponent,Modify the molecule halo by substituting a CC([NH2+]CCCCO)(C(=O)[O-])C(F)(F)F with a hydroxyl.,CC([NH2+]CCCCO)(C(=O)[O-])C(O)(F)F
DelComponent,Modify the molecule amide by removing a CCCCc1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3cc(Br)ccc3n2)cc1.,CCCCc1ccc(-c2cC3C[NH+](C)CCc34cc(Br)ccc4n2)cc1
LogP,Optimize the molecule CCOc1ccc(CC(=O)NCCc2csc(N)n2)cc1 to have a higher LogP value.,CCOc1ccc(CCc2csc(N)n2)cc1
MR,Optimize the molecule Cc1ncc(CO)c2c(Nc3cnccn3)c(NCc3ccccc3)oc12 to have a higher MR value.,Cc1ncc(CNO)c2c(Nc3cnccn3)c(NCc3ccccc3)oc12
QED,Optimize the molecule [S-]c1ccc(NC(NC2CCCCC2)=[NH+]C2CCCCC2)cc1 to have a lower QED value.,[S-]NC(NC1CCCCC1)=[NH+]C1CCCCC1
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 2 chlorine atoms.",Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCC1C[NH+](CC(C)C)CCO1
BondNum,"There is a molecule consisting of 31 single bonds, 3 double bonds, 14 rotatable bonds, and 18 aromatic bonds.",CCN(CC)C(=O)C1CC[NH+](Cc2ccc(C(=O)C[NH2+]CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)CC1
FunctionalGroup,"The molecule has 1 benzene ring group, and 3 amine groups.",Cc1ccc(C[NH+]=C(NCCc2ccco2)NC2CCCC2)c(OC2CCOC2)c1
AddComponent,Please add a benzene ring to the molecule CC[NH2+]C(C)c1ccc(NC(=O)Nc2nccnn2)cc1.,CC[NH2+]C(C)c1ccc(NC(=O)Nc2nccnn2)c(-c2ccccc2)c1
SubComponent,Please substitute a halo in the molecule COc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1 with a nitro.,COc1ccc(C(=O)NCCc2nc(-c3ccc(NO)cc3)no2)cc1
DelComponent,Remove a CCCNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)CC2)c1 from the molecule amide.,CCCNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CC3CCCC(C(=O)Nc4ccc(C(=O)Nc5ccccc5)cc4)C3C2)c1
LogP,Modify the molecule Cc1ccc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1Br to have a lower LogP value.,Cc1ccc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1
MR,Optimize the molecule COc1ccccc1CCC(=O)NC(C)c1nn[n-]n1 to have a lower MR value.,COc1ccccc1CC(C)c1nn[n-]n1
QED,Please optimize the molecule NC(=[NH2+])c1ccc(Sc2ccc(Br)cn2)c(Br)c1 to have a higher QED value.,NC(=[NH2+])c1ccc(Sc2ccc(Br)cn2)cc1
AtomNum,"Please generate a molecule with 18 carbon atoms, 4 oxygen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccsc1C=C1Oc2cc(OC(=O)C(C)Cl)cc(C)c2C1=O
BondNum,"The molecule contains 13 single bonds, 1 double bond, 4 rotatable bonds, and 27 aromatic bonds.",S=C(Nc1ccc(Cl)c(Cl)c1)c1c(-c2ccccc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, and 1 halo group.",CC1=CC(C)(C)N(C)c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)cc21
AddComponent,Please add a hydroxyl to the molecule O=C(CCOc1ccccc1)NCCc1nc2c(s1)CCC2.,O=C(CCOc1ccccc1O)NCCc1nc2c(s1)CCC2
SubComponent,Modify the molecule halo by substituting a CCCc1[nH+]ccn1CC(=O)c1ccc(-c2ccc(N3CC(Cn4ccnn4)OC3=O)cc2F)cn1 with a thiol.,CCCc1[nH+]ccn1CC(=O)c1ccc(-c2ccc(N3CC(Cn4ccnn4)OC3=O)cc2S)cn1
DelComponent,Remove a CS(=O)(=O)Cc1ccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 from the molecule benzene ring.,CS(=O)(=O)CC(=O)NC1CCN(C(=O)C2CC2)CC1
LogP,Optimize the molecule [NH3+]C(Cc1ccc(Cl)cc1F)c1cccc(Br)c1F to have a lower LogP value.,[NH3+]C(Cc1ccc(Cl)cc1F)c1cccc(Br)c1
MR,Please modify the molecule CCOC(=O)C(=Cc1ccccc1)Oc1ccccc1 to decrease its MR value.,C=C(Oc1ccccc1)C(=O)OCC
QED,Modify the molecule CC(C)([NH3+])Cn1cccc(OCc2ccc(Cl)cc2)c1=O to decrease its QED value.,CC(C)([NH3+])Cn1cccc(OCCl)c1=O
AtomNum,"The molecule is composed of 14 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",O=C(NCCCOCC1CCCO1)C1CC[NH2+]CC1
BondNum,"Please generate a molecule consisting 11 single bonds, 1 double bond, and 4 rotatable bonds.",C[NH+](CCC(N)=O)C1CCCC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 amine group.",CC(NC(=O)c1c(N)nn2cccnc12)c1nc2ccccc2c(=O)n1-c1ccccc1
AddComponent,Add a benzene ring to the molecule Cc1nccn1CC1CCCN(C(=O)CCC(=O)[O-])C1.,Cc1nc(-c2ccccc2)cn1CC1CCCN(C(=O)CCC(=O)[O-])C1
SubComponent,Modify the molecule Cc1ccc(CNC(=O)CNC(=O)c2cccc(Cl)c2)c(C)c1 by substituting a halo with a carboxyl.,Cc1ccc(CNC(=O)CNC(=O)c2cccc(C(=O)[OH])c2)c(C)c1
DelComponent,Remove a amide from the molecule NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccc2ccccc2c1)CP(=O)([O-])C(Cc1ccccc1)NC(=O)OCc1ccccc1.,O=C(NC(Cc1ccccc1)P(=O)([O-])CC(CSc1ccc2ccccc2c1)C(=O)NCc1c[nH]c2ccccc12)OCc1ccccc1
LogP,Optimize the molecule COCC1CCN(c2nc3ccccc3cc2CBr)CC1 to have a lower LogP value.,COCC1CCN(c2nc3ccccc3cc2CNO)CC1
MR,Please optimize the molecule Cc1c(F)cc(C#N)cc1NC(=O)c1ccnc(Br)c1 to have a higher MR value.,Cc1c(F)cc(C#N)cc1NC(=O)c1cc(Br)ncc1O
QED,Please modify the molecule CC1C(C)(C)c2ccc(C(O)c3ccc(CO)cc3)cc2C1(C)C to decrease its QED value.,CC1C(C)(C)c2ccc(C(C#N)c3ccc(CO)cc3)cc2C1(C)C
AtomNum,"Please generate a molecule with 20 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",Nc1ncc(Br)cc1-c1ccc(C(=O)NC(CO)c2ccccc2)c(F)c1
BondNum,"There is a molecule consisting of 10 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",O=C(COc1ccc(F)cc1Br)NNC(=O)c1ccc(Cl)cc1
FunctionalGroup,"The molecule consists of 4 benzene ring groups, 2 hydroxyl groups, 2 ester groups, 6 halo groups, and 2 nitrile groups.",C[NH+](CCCn1cc2c(c1O)C(c1ccc(C#N)cc1)N(CC(=O)OC(C)(C)C)C(=O)N2c1cccc(C(F)(F)F)c1)CCCn1cc2c(c1O)C(c1ccc(C#N)cc1)N(CC(=O)OC(C)(C)C)C(=O)N2c1cccc(C(F)(F)F)c1
AddComponent,Add a hydroxyl to the molecule O=C([O-])C(O)CCNC(=O)N(CCO)C1CCCC1.,O=C([O-])C(O)CCNC(=O)N(CCO)C1(O)CCCC1
SubComponent,Modify the molecule hydroxyl by substituting a CCC1CCCN(C(=O)c2ccc(O)cc2F)C1 with a aldehyde.,CC(=O)c1ccc(C(=O)N2CCCC(CC)C2)c(F)c1
DelComponent,Remove a halo from the molecule CCOc1ccc(C([NH2+]C)C2C3CCCC32)cc1Br.,CCOc1ccc(C([NH2+]C)C2C3CCCC32)cc1
LogP,Please optimize the molecule Clc1ccc(-n2cc(-c3ccccc3Cl)nn2)cc1 to have a lower LogP value.,Clc1ccc(-n2cc(-c3ccccc3)nn2)cc1
MR,Please modify the molecule CC1Cn2ncc(N3CC(c4nnco4)CC3=O)c2CN1C(=O)OC(C)(C)C to decrease its MR value.,CC(c1nnco1)c1cnn2c1CN(C(=O)OC(C)(C)C)C(C)C2
QED,Optimize the molecule C[NH2+]C(CCCc1ccc(Br)s1)C(C)(C)C to have a lower QED value.,CC(=O)c1ccc(CCCC([NH2+]C)C(C)(C)C)s1
AtomNum,"Please generate a molecule with 22 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",C[NH+]1CCN(S(=O)(=O)c2cc(-c3cnc(N)c(C(=O)c4cccnc4)n3)cc(C(F)(F)F)c2)CC1
BondNum,"Please generate a molecule composed of 9 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",C[NH2+]C(c1ccncc1)C1(CO)CC1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 2 amine groups.",CC(Nc1ccnc(Nc2ccc(C(C)(C)C)cc2)n1)c1ccccc1
AddComponent,Add a hydroxyl to the molecule C[NH2+]CC(=O)NC(CC(=O)OCc1ccccc1)c1ccccc1.,C[NH2+]CC(=O)NC(CC(=O)OCc1cccc(O)c1)c1ccccc1
SubComponent,Substitute a halo in the molecule Cn1c(SCc2nnc(C3CC3)o2)nnc1-c1ccc(F)cc1 with a hydroxyl.,Cn1c(SCc2nnc(C3CC3)o2)nnc1-c1ccc(O)cc1
DelComponent,Please remove a CCCC1[NH2+]C(C(C)C)N(CCCCOC)C1=O from the molecule amide.,CCC(CCCCOC)[NH2+]CC(C)C
LogP,Optimize the molecule CCOC(=O)N1CCC2(CC1)CCn1c(nc(-c3ccncc3)cc1=O)N2CC(O)c1ccccc1 to have a higher LogP value.,CCOC(=O)N1CCC2(CC1)CCn1c(nc(-c3ccncc3)cc1=O)N2CC(Br)c1ccccc1
MR,Optimize the molecule CCOC(=O)C1=C(C(=O)c2ccc(C)cc2)C(c2ccc(Cl)cc2Cl)C(C(=O)c2ccc(C)cc2)=C(C(=O)OCC)N1 to have a lower MR value.,CCOC(=O)C1=C(C(=O)c2ccc(C)cc2)C(c2ccc(Cl)cc2)C(C(=O)c2ccc(C)cc2)=C(C(=O)OCC)N1
QED,Please modify the molecule Nc1cc(F)cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 to decrease its QED value.,Nc1cc(S)cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1
AtomNum,"There is a molecule with 23 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",COc1ccc(-c2cc3c(N4CCN(c5ccccn5)CC4)nccn3n2)cc1OC
BondNum,"There is a molecule with 10 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 6 aromatic bonds.",COCC(NS(=O)(=O)c1cccnc1C#N)C(C)C
FunctionalGroup,"The molecule has 1 amine group, and 1 nitrile group.",CC(C)NC(C)(C#N)CCC[NH+](CC1CC1)CC1CC1
AddComponent,Please add a hydroxyl to the molecule CC1(CNc2ccc(Br)cc2N)CCCC1.,CC1(CNc2cc(O)c(Br)cc2N)CCCC1
SubComponent,Please substitute a Cc1cccc(C=Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1O in the molecule hydroxyl with a thiol.,Cc1cccc(C=Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1S
DelComponent,Remove a halo from the molecule COC(=O)c1cc(Br)c2c(c1)ncn2CCCC1[NH2+]CCCC1O.,COC(=O)c1ccc2c(c1)ncn2CCCC1[NH2+]CCCC1O
LogP,Modify the molecule CC1CC(C)CN(S(=O)(=O)c2ccc(CO)o2)C1 to increase its LogP value.,CC1CC(C)CN(S(=O)(=O)c2ccc(CI)o2)C1
MR,Please modify the molecule CCC1[NH2+]C2(CC2)C(=O)N1CC1CCSCC1 to decrease its MR value.,CCC[NH2+]CCCC1CCSCC1
QED,Please optimize the molecule COC(=O)C1C[NH+](Cc2cc(F)cc(C#N)c2)CCO1 to have a lower QED value.,COC(=O)C1C[NH+](Cc2cccc(C#N)c2)CCO1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",CC([NH3+])c1ccc(OC2CC3CCC2C3)c(Cl)c1
BondNum,"The molecule contains 9 single bonds, 2 double bonds, and 1 rotatable bond.",C=C(C)C1=CC(O)C(C)CC1
FunctionalGroup,Please generate a molecule consisting and 1 halo group.,NC(=O)N1CCN(Cl)CC1
AddComponent,Add a hydroxyl to the molecule CN(CCS(C)(=O)=O)c1c(Cl)cccc1CO.,CN(CCS(C)(=O)=O)c1c(CO)ccc(O)c1Cl
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)CC(C(O)C(F)(F)CN)N(C(=O)OCc1ccccc1)C(=O)C(C(=O)NCc1ccccc1)C(C)C with a halo.,CC(C)CC(C(I)C(F)(F)CN)N(C(=O)OCc1ccccc1)C(=O)C(C(=O)NCc1ccccc1)C(C)C
DelComponent,Modify the molecule halo by removing a ClC1=C2NN(S1)C2ON=C1C[NH+]2CCC1CC2.,C1=C2NN(S1)C2ON=C1C[NH+]2CCC1CC2
LogP,Please modify the molecule O=C(NC1CCOc2ccccc21)C1=CC(O)C(O)C(O)C1 to increase its LogP value.,O=C(NC1CCOc2ccccc21)C1=CC(O)C(O)C(O)C1c1ccccc1
MR,Optimize the molecule COc1c(C(=CC(C)=O)c2ccccc2)c(=O)oc2ccccc12 to have a lower MR value.,COc1c(C=CC(C)=O)c(=O)oc2ccccc12
QED,Optimize the molecule Cc1c(Cl)c2c(Cl)c(C)c1-c1c(C3=CCCC3)sc3ncnc(c13)OC(C(=O)[O-])Cc1cc(ccc1OCc1ccnc(C3=CCC(F)(COCC4COCCO4)CC3)n1)OCC(C[NH+]1CCN(C)CC1)O2 to have a higher QED value.,Cc1c(Cl)c2c(Cl)c(C)c1-c1c(C3=CCCC3)sc3ncnc(c13)OC(C(=O)[O-])Cc1cc(ccc1OCc1ccnc(C3=CCC(COCC4COCCO4)CC3)n1)OCC(C[NH+]1CCN(C)CC1)O2
AtomNum,"Please generate a molecule with 15 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1cc(C)cc(-n2c(=S)[nH]c3ccc(C)nc32)c1
BondNum,"There is a molecule composed of 14 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",O=C(C[NH2+]C1CCCCC1)Nc1cccc(OCc2ccccc2)c1
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 amide group, and 1 nitrile group.",N#Cc1ccc(CC2C[NH2+]CC(NC(=O)C3CC(O)C[NH2+]3)C2)c2cccnc12
AddComponent,Modify the molecule COc1ccc(-c2csc3nc(NC(=O)Nc4ccc(Cl)cc4)nn23)cc1 by adding a benzene ring.,COc1ccc(-c2c(-c3ccccc3)sc3nc(NC(=O)Nc4ccc(Cl)cc4)nn23)cc1
SubComponent,Modify the molecule halo by substituting a CCC(C)C(=O)Nc1ccc(F)c(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)N(C)C)c3)CC2)c1 with a aldehyde.,CC(=O)c1ccc(NC(=O)C(C)CC)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)CC1
DelComponent,Modify the molecule halo by removing a COc1cc(C=C2SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl.,COc1cc(C=C2SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1
LogP,Please optimize the molecule O=C1NCC(Nc2ccc(Cl)cc2Cl)C(=O)N1 to have a lower LogP value.,N#Cc1ccc(NC2CNC(=O)NC2=O)c(Cl)c1
MR,Modify the molecule CC1(C)Oc2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)ccc2O1 to decrease its MR value.,CC1(C)Oc2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc(-c3ccnc(-c4ccccc4)c3)ccc2O1
QED,Optimize the molecule Cc1cc(NCCCC2CNNC2C)nc(-c2cccc([N+](=O)[O-])c2)n1 to have a higher QED value.,Cc1cc(NCCCC2CNC2C)nc(-c2cccc([N+](=O)[O-])c2)n1
AtomNum,"Please generate a molecule with 17 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCC(CN(C(=O)OC(C)C)C(C)C)CC(C)(C)NS(C)(=O)=O
BondNum,"The molecule has 18 single bonds, 2 double bonds, and 4 rotatable bonds.",CC([NH2+]CC1(C)CCOCC1)C1CCS(=O)(=O)CC1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,CCCCCCCCC(CCCCCC)COc1cc(OCC(CCCCCC)CCCCCCCC)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1
AddComponent,Add a carboxyl to the molecule Cc1cccc(NC(=O)c2cncc(Nc3ccc(F)cc3F)c2)c1C.,Cc1cccc(NC(=O)c2cncc(Nc3ccc(F)cc3F)c2C(=O)O)c1C
SubComponent,Modify the molecule COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(=CC=C(c5ccc(C)cc5C)[NH+]5CCCC5)c(O)c4c3C2=O)=NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C by substituting a hydroxyl with a nitro.,COC1C=COC2(C)Oc3c(C)c(NO)c4c(O)c(c(=CC=C(c5ccc(C)cc5C)[NH+]5CCCC5)c(O)c4c3C2=O)=NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C
DelComponent,Remove a halo from the molecule FC(F)(F)Sc1ccc(Oc2ccc(SC(F)(F)F)cc2)cc1.,FC(F)Sc1ccc(Oc2ccc(SC(F)(F)F)cc2)cc1
LogP,Modify the molecule CCCn1cc(Oc2ncccc2CC([NH3+])CC)cn1 to have a higher LogP value.,CCCn1ncc(Oc2ncccc2CC([NH3+])CC)c1-c1ccccc1
MR,Modify the molecule CC(=O)CCCC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] to have a lower MR value.,CC(=O)CCCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]
QED,Modify the molecule CC(C)n1nc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c2ccccc2c1=O to decrease its QED value.,CC(=O)c1cc(-c2csc(NC(=O)c3nn(C(C)C)c(=O)c4ccccc34)n2)c(Cl)s1
AtomNum,"The molecule contains 11 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc(C#CCO)c(NC(N)=O)c1
BondNum,"The molecule is composed of 14 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CCCCC(=O)NC1N[NH2+]C(C)C1c1ccc(Cl)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 hydroxyl groups, 1 amine group, 1 halo group, and 1 sulfide group.",Oc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1O
AddComponent,Modify the molecule CCC1C=C(C2CCC(C)CC(CCC(=O)c3ccccc3CC3CCN=CC=N3)C2)OC(c2ccccc2)=C1CO by adding a carboxyl.,CCC1C=C(C2CCC(C)CC(CC(C(=O)O)C(=O)c3ccccc3CC3CCN=CC=N3)C2)OC(c2ccccc2)=C1CO
SubComponent,Substitute a halo in the molecule CC1(C)OB(c2ccc(N(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c3ccc(C(F)(F)F)cc3)cc2)OC1(C)C with a aldehyde.,CC(=O)C(F)(F)c1ccc(N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1
DelComponent,Modify the molecule hydroxyl by removing a O=C(Oc1ccc(O)cc1)c1ccc(O)cc1C(=O)Oc1ccc(O)cc1.,O=C(Oc1ccc(O)cc1)c1ccccc1C(=O)Oc1ccc(O)cc1
LogP,Please optimize the molecule CCCC(CC)CC1(C)CCC(C)CC1 to have a lower LogP value.,CCCC(CC)CC1(CO)CCC(C)CC1
MR,Modify the molecule Cc1sc2ncn(CC(=O)NCCCC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1C to decrease its MR value.,Cc1sc2ncn(CC(=O)NCCCC(=O)NC(F)(F)F)c(=O)c2c1C
QED,Please optimize the molecule CCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1 to have a lower QED value.,CCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC2OC(CC(=O)[OH])C(O)C(O)C2O)cc1
AtomNum,"There is a molecule composed of 39 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CCOC1(c2ccccc2)C2=NC(C=C2)C(c2ccccc2)c2ccc([nH]2)C2=NC(C=C2)C(c2ccccc2)c2ccc1[nH]2
BondNum,"The molecule contains 15 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCCC(C)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amide group.",CC(C)CC(=O)Nc1cccc(C(C)C(=O)[O-])c1
AddComponent,Modify the molecule CC(C)(C)OC(=O)NC1CCOc2cc(C(=O)[O-])c(SCl)cc21 by adding a benzene ring.,CC(C)(C)OC(=O)NC1CCOc2cc(C(=O)[O-])c(SCl)c(-c3ccccc3)c21
SubComponent,Modify the molecule CC([NH3+])C(=O)C(CCNC(N)=[NH2+])C(N=C(O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(C)(C)C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(C)(C)C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(C)(C)C(=N)O by substituting a hydroxyl with a carboxyl.,CC([NH3+])C(=O)C(CCNC(N)=[NH2+])C(N=C(C(=O)[OH])c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(C)(C)C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(C)(C)C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(C)(C)C(=N)O
DelComponent,Remove a halo from the molecule CC[NH2+]CC(C)CSc1ccc(Br)cn1.,CC[NH2+]CC(C)CSc1ccccn1
LogP,Modify the molecule CCN(Cc1ccccc1C)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 to decrease its LogP value.,CCN(CC)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1
MR,Please modify the molecule COc1sc2cc(Cl)ccc2c1C to increase its MR value.,COc1sc2cc(S)ccc2c1C
QED,Modify the molecule O=C1CC(C(=O)N2CCC[NH2+]CC2)c2ccccc2N1 to have a lower QED value.,O=C(C1c2ccccc21)N1CCC[NH2+]CC1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",C=CCN1C(=O)COc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc21
BondNum,"Please generate a molecule consisting 17 single bonds, 3 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",O=C(CN1C(=O)C2(SCC(=O)N2c2ccc(F)c(F)c2)c2ccccc21)Nc1ccccc1F
FunctionalGroup,There is a molecule with and 1 benzene ring group.,Cc1c(-c2cccc[n+]2C)cccc1-c1n(C)c2ccccc2[n+]1C
AddComponent,Add a hydroxyl to the molecule CNC(=O)N1N=C(c2ccc(N3CC4CCC(C3)O4)cc2)c2cc(OC)c(OC)c(F)c2CC1C.,CNC(=O)N1N=C(c2ccc(N3CC4CCC(C3)O4)cc2)c2cc(OC)c(OC)c(F)c2CC1CO
SubComponent,Please substitute a C#CCC(O)C1(c2ccccc2)CCCCC1 in the molecule hydroxyl with a aldehyde.,CC(=O)C(CC#C)C1(c2ccccc2)CCCCC1
DelComponent,Please remove a hydroxyl from the molecule Cc1cc(C)cc(OCCC(=O)NCC(C)(C)CCO)c1.,CCC(C)(C)CNC(=O)CCOc1cc(C)cc(C)c1
LogP,Modify the molecule CC(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(C(C)C)n2)s1 to decrease its LogP value.,CC(=O)Nc1nc(-c2ccc(C(=O)[OH])cc2)c(-c2ccc(=O)n(C(C)C)n2)s1
MR,Optimize the molecule Nc1c(OC(F)(F)F)c[nH+]c(CF)c1Cl to have a lower MR value.,Nc1c(OC(F)F)c[nH+]c(CF)c1Cl
QED,Modify the molecule Cc1nc(Nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)cc(N2CCCC2)n1 to decrease its QED value.,Cc1nc(Nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)c(-c2ccccc2)c(N2CCCC2)n1
AtomNum,"Please generate a molecule with 23 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1ccc(NC(=O)C2(c3ccc4c(c3)CCO4)CC2)nc1-c1ccc[nH]c1=O
BondNum,"The molecule is composed of 12 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(=O)C1(Cc2c(C)cc(C)cc2C)CCOC1=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, 1 halo group, and 1 sulfide group.",C[NH+](Cc1csc(Cc2ccc(Cl)cc2)n1)CC(C)(C)O
AddComponent,Please add a amine to the molecule O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21)N1CCCCC1.,NC1CCCCN1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21
SubComponent,Please substitute a nitrile in the molecule Cc1cc(C)c(C2C(C#N)=C([NH3+])N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1COc1ccc(F)cc1 with a aldehyde.,CC(=O)C1=C([NH3+])N(c2ccc(F)cc2)C2=C(C(=O)CCC2)C1c1cc(COc2ccc(F)cc2)c(C)cc1C
DelComponent,Modify the molecule amide by removing a CC(C)(C)OC(=O)NCCOC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.,CC(C)(C)OC(=O)NCCOC(=O)CCC1C2CC3CC(C2)C1C3
LogP,Please optimize the molecule CCC1CCC(c2ccc(-c3ccc4cc(OC(F)(F)F)ccc4c3)cc2)CC1 to have a lower LogP value.,CCC1CCC(c2ccc(-c3ccc4cc(OC(F)(F)C#N)ccc4c3)cc2)CC1
MR,Optimize the molecule COc1ccc(NC2C(=O)Nc3cc(Br)ccc32)cc1 to have a higher MR value.,CC(=O)c1ccc2c(c1)NC(=O)C2Nc1ccc(OC)cc1
QED,Modify the molecule CCNC(=O)c1c(N)[nH]c2cc(N(C)C(=O)CC(C)(C)C)ccc12 to decrease its QED value.,CCNC(=O)c1c(N)[nH]c2c(-c3ccccc3)c(N(C)C(=O)CC(C)(C)C)ccc12
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COc1ccccc1-c1n[nH]c(C2CC2)c1NC(=O)c1cccs1
BondNum,"Please generate a molecule composed of 18 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",Cn1ccnc1C1(O)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 ester group, and 2 amide groups.",Cc1cccc(OC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1
AddComponent,Please add a hydroxyl to the molecule O=C([O-])c1cc(C(=O)N2CC=CCC2)ccn1.,O=C([O-])c1cc(C(=O)N2CCC=C(O)C2)ccn1
SubComponent,Please substitute a Cc1ccc(CNC(=O)NCC(=O)NCC(=O)Nc2ccccc2Br)cc1 in the molecule halo with a aldehyde.,CC(=O)c1ccccc1NC(=O)CNC(=O)CNC(=O)NCc1ccc(C)cc1
DelComponent,Please remove a nitro from the molecule COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1[N+](=O)[O-].,COc1(O[O-])ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)c-1
LogP,Modify the molecule CC(=O)NCCN(C(=O)Cc1cc(F)c(F)cc1F)C(C)C(=O)[O-] to decrease its LogP value.,CC(=O)NCCN(C(=O)Cc1cc(NO)c(F)cc1F)C(C)C(=O)[O-]
MR,Please optimize the molecule C[NH+](CCC1CCCCC1)CC1CC[NH2+]C1 to have a higher MR value.,C[NH+](CCC1CCCCC1)C(O)C1CC[NH2+]C1
QED,Modify the molecule Cc1sc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)nc1-c1ccc(F)c(F)c1 to decrease its QED value.,Cc1sc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)nc1-c1ccc(NO)c(F)c1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COCCC1(CO)CCCN(C(=O)c2ccc[nH]c2=O)C1
BondNum,"There is a molecule consisting of 18 single bonds, 4 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)C(C)C(=O)NC(C)C)S(C)(=O)=O)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 1 sulfide group.",Cc1nc(C(C)C)sc1C(=O)NC(c1ccccc1)C1CC(O)C1
AddComponent,Add a hydroxyl to the molecule C[NH2+]C(c1cc(F)ccc1F)c1cc(Cl)ccc1F.,C[NH2+]C(O)(c1cc(F)ccc1F)c1cc(Cl)ccc1F
SubComponent,Please substitute a halo in the molecule C=C(C)c1ccc2oc(C(=O)c3ccc(F)cc3)c(-c3ccccc3)c2c1OC with a hydroxyl.,C=C(C)c1ccc2oc(C(=O)c3ccc(O)cc3)c(-c3ccccc3)c2c1OC
DelComponent,Please remove a benzene ring from the molecule CC(C)(C)OC(=O)NC(CC(=O)C1=C([O-])OC(C)(C)OC1=O)Cc1ccccc1.,CC(CC(=O)C1=C([O-])OC(C)(C)OC1=O)NC(=O)OC(C)(C)C
LogP,Please modify the molecule CC(C)(O)C(C)(C)NC(=O)c1cc(N)cc(S(C)(=O)=O)c1 to increase its LogP value.,CC(C)(C#N)C(C)(C)NC(=O)c1cc(N)cc(S(C)(=O)=O)c1
MR,Optimize the molecule CC([NH3+])(C(=O)Cc1ccc(Br)cc1F)c1ccccc1 to have a lower MR value.,CC([NH3+])(C(=O)Cc1ccc(C(=O)[OH])cc1F)c1ccccc1
QED,Modify the molecule CCN(c1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cncc(F)c1 to increase its QED value.,CCN(c1nc(N)nc(N)c1C#N)c1nc2c(Cl)cccc2c(=O)n1-c1cncc(F)c1
AtomNum,"The molecule consists of 13 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1nc(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(C(N)=[NH+]O)cc1OCCOC(C)C
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 3 halo groups.",COc1cc(C([NH3+])Cc2c(F)cccc2Cl)ccc1Cl
AddComponent,Please add a carboxyl to the molecule CCOc1ccc(-c2nc3scnn3c2C=O)cc1.,CCOc1ccc(-c2nc3scnn3c2C=O)c(C(=O)O)c1
SubComponent,Please substitute a CSc1ccc(C=C2C=C(CC(=O)NS(=O)(=O)c3ccc(C(C)=O)cc3)c3cc(F)ccc32)cc1 in the molecule halo with a carboxyl.,CSc1ccc(C=C2C=C(CC(=O)NS(=O)(=O)c3ccc(C(C)=O)cc3)c3cc(C(=O)[OH])ccc32)cc1
DelComponent,Please remove a CCCC[Te+](CCCC)CC(=O)N1CCCC1 from the molecule amide.,CCCC[Te+]1(CCCC)CCCC1
LogP,Please modify the molecule COC(=O)C(C)n1ccc(=O)c2cc(Br)ccc21 to decrease its LogP value.,COC(=O)C(C)n1ccc(=O)c2c(O)c(Br)ccc21
MR,Please optimize the molecule CC=C(N=CC(C)F)C(=O)Nc1ccc(F)c(C2CS(=O)(=O)C(C)(c3cc(C(F)(F)F)ccn3)C(N)=[NH+]2)c1 to have a higher MR value.,CC=C(N=CC(C)F)C(=O)Nc1ccc(F)c(C2CS(=O)(=O)C(C)(c3nccc(C(F)(F)F)c3O)C(N)=[NH+]2)c1
QED,Optimize the molecule O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cnn(CC[NH+]2CCOCC2)c1 to have a higher QED value.,Clc1ccc(OCCc2cnn(CC[NH+]3CCOCC3)c2)c(Cl)c1
AtomNum,"There is a molecule composed of 15 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC1=C(C)C(=O)N(c2c(C)cc(C)cc2C(=O)[O-])C1=O
BondNum,"Please generate a molecule with 13 single bonds, 2 double bonds, and 7 rotatable bonds.",CCCC(C)CS(=O)(=O)N(C)CC(C)(C)O
FunctionalGroup,Please generate a molecule consisting and 2 benzene ring groups.,CC[NH+]1CCN(c2nc(-c3ccc(CCOCc4ccccc4)cc3)cc3ccccc23)CC1
AddComponent,Modify the molecule CCCC#CC(C)(O)c1ccc(Oc2ccc(F)cc2)cc1 by adding a hydroxyl.,CCCC#CC(C)(O)c1ccc(Oc2ccc(F)cc2)c(O)c1
SubComponent,Substitute a COCC1=C(c2ccccc2)C(=O)NC(C(C)(C)C(=O)Nc2cc(Cl)cc(Cl)c2)O1 in the molecule halo with a carboxyl.,COCC1=C(c2ccccc2)C(=O)NC(C(C)(C)C(=O)Nc2cc(Cl)cc(C(=O)[OH])c2)O1
DelComponent,Modify the molecule CN(C)c1ncccc1C(=O)N(C)c1ccc(O)cc1 by removing a hydroxyl.,CN(C)c1ncccc1C(=O)N(C)c1ccccc1
LogP,Modify the molecule CN(C)C(=O)C=Cc1ccc2ccc(Cl)cc2n1 to increase its LogP value.,CCCc1ccc2ccc(Cl)cc2n1
MR,Please optimize the molecule CCCOc1nc(N)nc(N(C)Cc2ccoc2C)n1 to have a lower MR value.,CCCOc1ncnc(N(C)Cc2ccoc2C)n1
QED,Optimize the molecule Cc1ccc(Sc2ccc(F)c(N)c2C(=O)[O-])cc1C to have a lower QED value.,Cc1ccc(Sc2cccc(N)c2C(=O)[O-])cc1C
AtomNum,"Please generate a molecule with 16 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCC(Nc1ccc(Cn2cncn2)cc1)c1cccs1
BondNum,"Please generate a molecule composed of 21 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CC1CCC(C)[NH+]1CCN1CCN(C(=O)NCc2nnn(C)n2)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 halo group.",COC1CCC2(OC)CCN(C(=O)C[NH+](C)Cc3ccc(F)cc3)C2C1
AddComponent,Add a amine to the molecule NC(=S)N=Nc1c2ccccc2c2nc3no[nH]c3nc12.,NC(=S)N=Nc1c2nc3[nH]onc3nc2c2cccc(N)c12
SubComponent,Substitute a CN(C)c1ncnc2c(NC3OC(CO)C(O)C3O)ncnc12 in the molecule hydroxyl with a carboxyl.,CN(C)c1ncnc2c(NC3OC(CC(=O)[OH])C(O)C3O)ncnc12
DelComponent,Modify the molecule benzene ring by removing a CC[NH2+]C(CC[NH+]1CCCSCC1)c1cccc(Cl)c1Cl.,CC[NH2+]C(Cl)(Cl)CC[NH+]1CCCSCC1
LogP,Modify the molecule O=S(=O)([O-])SCC[NH2+]CCCCCCCOc1ccc(I)cn1 to decrease its LogP value.,O=S(=O)([O-])SCC[NH2+]CCCCCCCOc1ccccn1
MR,Optimize the molecule CC(C)(C#N)CNCc1ccc(S(C)(=O)=O)cc1 to have a lower MR value.,CC(C)(CNCc1ccc(S(C)(=O)=O)cc1)NO
QED,Modify the molecule O=C(C1CC12CCCC2)N1CCCCC([NH+]2CCCC2)C1 to decrease its QED value.,C1CCC2C(C([NH+]3CCCC3)C1)C21CCCC1
AtomNum,"The molecule contains 14 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CC(C)C1CN(C(=O)NCCN2C(=O)CCC2=O)CCO1
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",C[NH2+]Cc1cc(S(=O)(=O)N(C)C(C)C(C)C)ccc1C
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amine group, and 4 halo groups.",Cc1ccccc1Nc1cc(Cl)nc(-c2cccc(C(F)(F)F)c2)n1
AddComponent,Modify the molecule CN(C)c1ccc(C=Cc2cc[n+](-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 by adding a hydroxyl.,CN(C)c1ccc(C=Cc2cc[n+](-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1O
SubComponent,Please substitute a COc1ccc(-n2ncc3c2CC(C)(C)CC3[NH2+]Cc2cc(Cl)c(O)c(OC)c2)cc1 in the molecule halo with a hydroxyl.,COc1ccc(-n2ncc3c2CC(C)(C)CC3[NH2+]Cc2cc(O)c(O)c(OC)c2)cc1
DelComponent,Modify the molecule halo by removing a CC(CF)OC(=O)c1ccco1.,CC(C)OC(=O)c1ccco1
LogP,Please modify the molecule CN(CCC1(O)C[NH2+]C1)C(=O)OC(C)(C)C to increase its LogP value.,CC(=O)C1(CCN(C)C(=O)OC(C)(C)C)C[NH2+]C1
MR,Modify the molecule CN1CCCCCC(O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21 to have a higher MR value.,CN1CCCCCC(S)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21
QED,Modify the molecule O=C(Nc1ccccc1F)N1CCCC1c1cccs1 to have a lower QED value.,O=C(Nc1ccccc1F)N1C(c2ccccc2)CCC1c1cccs1
AtomNum,"The molecule is composed of 32 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3cccc4ccccc34)c2C#N)cc1
BondNum,"Please generate a molecule consisting 14 single bonds, 7 rotatable bonds, and 57 aromatic bonds.",CC(C)(C)n1c2ccccc2c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc3-4)ccc21
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 3 amine groups, and 1 sulfone group.",CNS(=O)(=O)c1ccc([O-])c(Nc2cc(Nc3ccc(-n4cccn4)cc3)ncn2)c1
AddComponent,Modify the molecule CCC(O)c1ccc(N(CC(C)C)C(C)C)cc1 by adding a hydroxyl.,CCC(O)c1ccc(N(CC(C)C)C(C)(C)O)cc1
SubComponent,Substitute a halo in the molecule [NH3+]C1(C(=O)NC(Cc2ccccc2)C(F)(F)F)CC1 with a hydroxyl.,[NH3+]C1(C(=O)NC(Cc2ccccc2)C(O)(F)F)CC1
DelComponent,Please remove a COc1ccc(C[NH2+]Cc2ccccc2N2CCCCC2)cc1OC from the molecule benzene ring.,COc1ccc(C[NH2+]CN2CCCCC2)cc1OC
LogP,Modify the molecule CCOC(Cn1cc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)nn1)OCC to decrease its LogP value.,CCOC(Cn1cc(C(=O)Nc2nc(OC)c(C)s2)nn1)OCC
MR,Modify the molecule CCOC(=O)CC(=O)c1cccc(-c2ccsc2)c1 to have a lower MR value.,CCOC(=O)CC(=O)c1ccsc1
QED,Please optimize the molecule CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCOc4ccccc43)cnc21 to have a lower QED value.,CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCOc4cc(-c5ccccc5)ccc43)cnc21
AtomNum,"There is a molecule consisting of 14 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",O=C(COc1nsnc1N1CCOCC1)Nc1ccc(F)cc1
BondNum,"The molecule contains 15 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",C[NH+](CCC(=O)N1CCN(c2ccccc2)CC1)CCc1ccncc1
FunctionalGroup,"Please generate a molecule composed of 1 amide group, and 1 sulfone group.",CCOC(CC(=CC(N)=O)S(C)(=O)=O)OCC
AddComponent,Add a benzene ring to the molecule Cc1ncc2c(N)sc(C(=O)CO)c2n1.,Nc1sc(C(=O)CO)c2nc(Cc3ccccc3)ncc12
SubComponent,Modify the molecule hydroxyl by substituting a CCc1ccc(S(=O)(=O)NCC(C)(C)O)cc1N with a nitro.,CCc1ccc(S(=O)(=O)NCC(C)(C)NO)cc1N
DelComponent,Please remove a halo from the molecule O=C(CSc1ncnc2nc[nH]c12)c1cccc(C2CC2(Cl)Cl)c1.,O=C(CSc1ncnc2nc[nH]c12)c1cccc(C2CC2Cl)c1
LogP,Modify the molecule Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)N1CCN(CCC(F)(F)F)C1 to have a lower LogP value.,Cc1cc(C2=NOC(c3cc(O)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)N1CCN(CCC(F)(F)F)C1
MR,Please modify the molecule CN1CCN(CC=O)c2ccc(C(F)(F)F)cc21 to decrease its MR value.,CN1CCNc2ccc(C(F)(F)F)cc21
QED,Please modify the molecule CCCc1cc(C(=O)[O-])n2nc(C)c(-c3ccc(OC)cc3)c2n1 to increase its QED value.,CCCc1cc(C(=O)[O-])n2nc(C)c(OC)c2n1
AtomNum,The molecule has 17 carbon atoms.,C1=C2c3ccccc3-c3cccc(c32)CCC1
BondNum,"There is a molecule composed of 7 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",Clc1cncc(OC2CC2)c1Cl
FunctionalGroup,"Please generate a molecule with 2 thioether groups, and 1 sulfide group.",Cc1ccc2c(c1)c(C[NH2+]C1CCSC1)nn2C
AddComponent,Add a hydroxyl to the molecule Brc1ccc(C[NH+]2CC3C[NH2+]CC3C2)s1.,OC1C2C[NH2+]CC2C[NH+]1Cc1ccc(Br)s1
SubComponent,Modify the molecule halo by substituting a [C-]#[N+]C(=O)c1ccc(OCCCCCC)c(Cl)c1Cl with a nitrile.,[C-]#[N+]C(=O)c1ccc(OCCCCCC)c(C#N)c1Cl
DelComponent,Remove a O=C(NNc1ccccc1[N+](=O)[O-])c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 from the molecule amide.,O=[N+]([O-])c1ccccc1Nn1n(-c2ccc(F)cc2)c(-c2cccs2)n-1
LogP,Modify the molecule CC(C)(c1ncc(-c2ccc(Cl)cn2)o1)N1CC[NH+](CC(O)CC(Cc2ccccc2)C(=O)NC2c3ccccc3OCC2O)C(C(=O)NCC(F)(F)F)C1 to increase its LogP value.,CC(C)(c1ncc(-c2ccc(Cl)cn2)o1)N1CC[NH+](CC(F)CC(Cc2ccccc2)C(=O)NC2c3ccccc3OCC2O)C(C(=O)NCC(F)(F)F)C1
MR,Modify the molecule CNc1cc(CC2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)nc(C)n1 to decrease its MR value.,Cc1cc(CC2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)nc(C)n1
QED,Modify the molecule CCN(C(=O)[O-])C(c1ccc(OC)cc1)C(C=O)C(C)C to have a higher QED value.,CCN(C(=O)[O-])C(c1ccc(OC)cc1)C(C)C
AtomNum,"The molecule has 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",NC(=O)c1cccc(NC(=O)CSCc2cccs2)c1
BondNum,"The molecule is composed of 14 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cccc(C(=O)N2CCCC(C)(C(=O)[O-])C2)c1[N+](=O)[O-]
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, and 1 nitrile group.",N#Cc1[nH]ncc1-c1cnc(Nc2ccc(N3CCOCC3)cc2)c2nccn12
AddComponent,Modify the molecule CCCC(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1 by adding a amine.,NCCCC(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1
SubComponent,Modify the molecule halo by substituting a COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1c(C)ccc2ccccc12 with a carboxyl.,COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(C(=O)[OH])c1OCc1c(C)ccc2ccccc12
DelComponent,Remove a amide from the molecule COCC(C)n1c(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nc2ccccc2c1=O.,COCC(C)n1c(SCC2([NH+]3CCOCC3)CCCCC2)nc2ccccc2c1=O
LogP,Modify the molecule O=C(Nc1ccc(F)cc1F)C1(c2cc(-c3ccccc3F)on2)CC1 to have a lower LogP value.,O=C(Nc1ccc(O)cc1F)C1(c2cc(-c3ccccc3F)on2)CC1
MR,Please modify the molecule Cc1cccc(C([NH3+])CC[NH+](C)CC2(O)CCCC2)c1 to decrease its MR value.,Cc1cccc(C([NH3+])CC[NH+](C)CC2CCCC2)c1
QED,Please modify the molecule CSc1c(Cl)nc(N(C)c2ccc(Cl)cc2)nc1NCC[NH+](C(C)C)C(C)C to increase its QED value.,CSc1cnc(N(C)c2ccc(Cl)cc2)nc1NCC[NH+](C(C)C)C(C)C
AtomNum,"The molecule consists of 8 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC1(C)OCCC1([NH3+])CC(=O)[O-]
BondNum,"The molecule contains 13 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",COc1ccc(OC)c(C2([NH3+])CCCCCC2)c1
FunctionalGroup,The molecule is composed of and 1 hydroxyl group.,CC1CC(O)CN(C(=O)NC2CCC3CCCC3C2)C1
AddComponent,Modify the molecule CN(Cc1ccc(OC(F)F)cc1)C(=S)NCCc1ccccc1 by adding a carboxyl.,CN(Cc1ccc(OC(F)F)c(C(=O)O)c1)C(=S)NCCc1ccccc1
SubComponent,Modify the molecule halo by substituting a CC1OCCC1NS(=O)(=O)c1cc(Br)ccc1N with a hydroxyl.,CC1OCCC1NS(=O)(=O)c1cc(O)ccc1N
DelComponent,Please remove a amide from the molecule CC([NH2+]CCCC(N)=O)c1ccc(C(=O)[O-])o1.,CC[NH2+]C(C)c1ccc(C(=O)[O-])o1
LogP,Modify the molecule Cc1nc(C)n2cccc(C(N)=[NH+]O)c12 to have a higher LogP value.,CC(=O)[NH+]=C(N)c1cccn2c(C)nc(C)c12
MR,Optimize the molecule Fc1c(F)c(F)c(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F to have a higher MR value.,Fc1cc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)c(F)c(F)c1F
QED,Modify the molecule COC(=O)CCSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 to have a lower QED value.,COC(=O)CCSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1O
AtomNum,"The molecule consists of 15 carbon atoms, and 4 oxygen atoms.",Cc1cc(C(=O)[O-])ccc1COCC1CCOCC1
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, and 6 rotatable bonds.",COC(=O)C(N)(CCCC[NH3+])C(=O)C(F)(F)F
FunctionalGroup,"There is a molecule composed of 1 ketone group, 1 nitrile group, and 1 sulfide group.",CCC(C#N)C(=O)c1sccc1C
AddComponent,Please add a benzene ring to the molecule [NH3+]CCc1nc2ccc(NCC3CCC3)nn2c1Br.,[NH3+]CCc1nc2cc(-c3ccccc3)c(NCC3CCC3)nn2c1Br
SubComponent,Please substitute a halo in the molecule O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cc2nc3cc(Cl)cc(Cl)c3o2)cc1 with a carboxyl.,O=C(COc1ccc(C(=O)[OH])cc1Cl)Nc1ccc(Cc2nc3cc(Cl)cc(Cl)c3o2)cc1
DelComponent,Modify the molecule halo by removing a O=C(NC(CCn1cncn1)c1ccccc1)c1cncc(Cl)c1.,O=C(NC(CCn1cncn1)c1ccccc1)c1cccnc1
LogP,Modify the molecule COCC[NH2+]CC(Cc1ccc(Cl)cc1)C1CCC1 to decrease its LogP value.,COCC[NH2+]CC(Cc1ccc(O)cc1)C1CCC1
MR,Please modify the molecule Cc1nn(C)c(C)c1CCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 to increase its MR value.,Cc1nn(CO)c(C)c1CCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1
QED,Optimize the molecule C[NH+]1CCC(C#N)(NC(=O)c2cccc(Br)n2)CC1 to have a higher QED value.,C[NH+]1CCC(NC(=O)c2cccc(Br)n2)CC1
AtomNum,"Please generate a molecule with 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1cc(C(=O)[O-])c(N2CCCCCC2)s1
BondNum,"The molecule consists of 6 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Cc1cnc(CNc2ccc(C(=O)[O-])nc2)o1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amide groups, 1 amine group, 1 halo group, 2 thioether groups, and 2 sulfide groups.",CON=C(C(=O)NC1C(=O)N2CC(COC(=O)Nc3cccc(Cl)c3)(C(=O)[O-])CSC12)c1csc(N)n1
AddComponent,Add a benzene ring to the molecule CCn1ccnc1SCC(=O)c1cn(CCC#N)c2ccccc12.,CCn1cc(-c2ccccc2)nc1SCC(=O)c1cn(CCC#N)c2ccccc12
SubComponent,Please substitute a halo in the molecule CN(C(=O)COc1ccc(F)cc1Cl)C1CCc2ccccc21 with a hydroxyl.,CN(C(=O)COc1ccc(O)cc1Cl)C1CCc2ccccc21
DelComponent,Please remove a hydroxyl from the molecule CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCC(C)N1C(=O)NC(C)(c2ccc(O)c(O)c2)C1=O.,CCCc1cc(C(C(F)(F)F)C(F)(F)F)ccc1OCCCC(C)N1C(=O)NC(C)(c2ccc(O)c(O)c2)C1=O
LogP,Optimize the molecule Cc1noc(C)c1CC(=O)N1CCCC(CC2CC2)(C(N)=O)C1 to have a higher LogP value.,Cc1noc(C)c1CC(=O)N1CCCC1CC1CC1
MR,Modify the molecule CC(C)CC(NC(=O)CCc1cn(CCCCc2ccccc2)nn1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(C(N)=O)C(C)OP(=O)([O-])[O-] to increase its MR value.,CC(C)CC(NC(=O)CCc1cn(CCCC(O)c2ccccc2)nn1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(C(N)=O)C(C)OP(=O)([O-])[O-]
QED,Modify the molecule COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1ccccc1OC(F)F to have a lower QED value.,COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1ccccc1OC(F)S
AtomNum,"Please generate a molecule consisting 29 carbon atoms, 8 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NCc7ccccc7)c6)cc45)nc23)s1
BondNum,"There is a molecule with 35 single bonds, 6 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",Cc1cc(C(=O)NC2CCCNC(=O)C3CC(O)CN3C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(Cc3ccccc3)NC2=O)sc1-c1ccccc1
FunctionalGroup,The molecule contains and 2 benzene ring groups.,C=C(CC)c1ccc(OCc2ccccc2)cc1
AddComponent,Please add a nitrile to the molecule COc1cccc(-c2ccc(N(CC(C)C)CC(C)C)c(NC(=O)Nc3ccc(C)cc3)c2)c1C(=O)[O-].,COc1cccc(-c2ccc(N(CC(C)C)CC(C)(C)C#N)c(NC(=O)Nc3ccc(C)cc3)c2)c1C(=O)[O-]
SubComponent,Please substitute a O=C1C(=O)C2CCC(Br)C3C(Br)CCC1C23 in the molecule halo with a hydroxyl.,O=C1C(=O)C2CCC(Br)C3C(O)CCC1C23
DelComponent,Modify the molecule halo by removing a Cc1c(NC(=O)c2ccc(C=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(C=O)cn2)c1Cl.,Cc1c(NC(=O)c2ccc(C=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(C=O)cn2)c1
LogP,Optimize the molecule CCC(=O)NCC1CCc2ccccc2N1 to have a higher LogP value.,CCC1CCc2ccccc2N1
MR,Modify the molecule Cc1ccc(C(=O)N2CC3C(NC(=O)COc4ccccc4)C(=O)N3C2C(=O)OCc2ccccc2)cc1 to decrease its MR value.,COC(=O)C1N(C(=O)c2ccc(C)cc2)CC2C(NC(=O)COc3ccccc3)C(=O)N21
QED,Optimize the molecule Cc1ccc(F)c(CC[NH3+])c1F to have a higher QED value.,Cc1ccc(C#N)c(CC[NH3+])c1F
AtomNum,"The molecule has 16 carbon atoms, and 3 nitrogen atoms.",C1=N[NH+](Cc2ccccc2)CN1Cc1ccccc1
BondNum,"There is a molecule with 16 single bonds, 11 rotatable bonds, and 6 aromatic bonds.",CCOC(OCC)O[Si]CCCCc1cc(F)c(F)c(F)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amide groups.",CC1CC[NH+](CCCNC(=O)c2cccc(NC(=O)C3CC3)c2)CC1
AddComponent,Please add a amine to the molecule COc1cc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc(OC)c1.,COc1cc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2CN)cc(OC)c1
SubComponent,Substitute a halo in the molecule O=C1CCOc2c(F)cc(I)cc21 with a nitrile.,N#Cc1cc(I)cc2c1OCCC2=O
DelComponent,Please remove a benzene ring from the molecule Clc1ccc(OC2CC[NH+](Cc3n[nH]c4c3COCC4)C2)cc1.,ClOC1CC[NH+](Cc2n[nH]c3c2COCC3)C1
LogP,Modify the molecule FC(F)Oc1ccccc1-n1cnc2c1CC[NH2+]C2 to have a lower LogP value.,FC(F)On1cnc2c1CC[NH2+]C2
MR,Optimize the molecule CN(C)c1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)cc1 to have a higher MR value.,CC(=O)c1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1
QED,Modify the molecule CCCCCCOc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 to decrease its QED value.,O=C(Nc1ccc(OCCCCCCO)cc1)c1ccc2c(c1)OCO2
AtomNum,"There is a molecule consisting of 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC1(C#N)CCN(C(=O)C2(C)CCCCCC2)CC1
BondNum,"There is a molecule with 12 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",COc1ccc(S(=O)(=O)NCC(C)C)cc1NC(=O)c1cccc(Cl)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 2 halo groups.",Cn1c(=O)c(Br)c(-c2ccc(F)cc2)c2ccccc21
AddComponent,Please add a hydroxyl to the molecule COc1cc(CN(CC(=O)[O-])C(=O)c2cnc(C(C)C)s2)cc(OC)c1.,COc1cc(CN(CC(=O)[O-])C(=O)c2sc(C(C)C)nc2O)cc(OC)c1
SubComponent,Modify the molecule halo by substituting a COc1c(Cl)cc(C(F)(F)F)cc1Cl with a thiol.,COc1c(S)cc(C(F)(F)F)cc1Cl
DelComponent,Please remove a CCC(C)c1ccc(C(CC)NC(=O)c2cc(C(F)(F)F)[nH]n2)cc1 from the molecule amide.,CCC(C)c1ccc(C(CC)n2[nH]c(C(F)(F)F)c-2)cc1
LogP,Modify the molecule CCOc1cc(C(C)(C)C)ccc1C1[NH2+]CCN(C(=O)N2C=[NH+]C(c3ccc(F)cc3)C2c2ccc(F)cc2)C1=O to decrease its LogP value.,CCOc1cc(C(C)(C)C)ccc1C1[NH2+]CCN(C(=O)N2C=[NH+]C(c3ccc(C(=O)[OH])cc3)C2c2ccc(F)cc2)C1=O
MR,Modify the molecule Cc1cccc(CNC(=O)N(Cc2ccccc2)CC(C)(C)O)c1 to increase its MR value.,Cc1cccc(CNC(=O)N(Cc2ccccc2)CC(C)(O)CC(=O)O)c1
QED,Modify the molecule O=C(C[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1)Nc1ccccc1 to decrease its QED value.,O=C(C[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1)Nc1ccccc1-c1ccccc1
AtomNum,"The molecule is composed of 28 carbon atoms, 8 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",CC1CCCC1C(=O)Nc1cc(F)c2c(c1O)C([O-])=C1C(=O)C3(O)C([O-])=C(C(N)=O)C(=O)C([NH+](C)C)C3CC1C2
BondNum,"There is a molecule composed of 9 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(OC(C)C(=O)NN=Cc2ccccc2)c(Br)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amine group.",CC[NH+](CC)C1CCN(c2cc(OC)ccc2C(N)=S)C1
AddComponent,Please add a carboxyl to the molecule C#CCn1c(=NC(=O)CS(=O)(=O)CC(=O)N2CCCCC2C)sc2cc(F)ccc21.,C#CCn1c(=NC(=O)CS(=O)(=O)CC(=O)N2CCCCC2(C)C(=O)O)sc2cc(F)ccc21
SubComponent,Modify the molecule N#CCN1C=C(C(=O)OC2OC(=O)c3ccccc32)N2C(=O)CC12 by substituting a nitrile with a aldehyde.,CC(=O)CN1C=C(C(=O)OC2OC(=O)c3ccccc32)N2C(=O)CC12
DelComponent,Please remove a halo from the molecule COc1cc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc(OC)c1OCC(=O)Nc1ccccc1C.,COc1cc(C=Nn2c(-c3cccc(C(F)F)c3)nc3ccccc3c2=O)cc(OC)c1OCC(=O)Nc1ccccc1C
LogP,Please modify the molecule NC(=S)NN=Cc1cc(F)c(N2CC[NH2+]C(COCc3ccccc3)C2)cc1F to increase its LogP value.,CC(=O)c1cc(C=NNC(N)=S)c(F)cc1N1CC[NH2+]C(COCc2ccccc2)C1
MR,Please modify the molecule CCCC(Nc1nc(NC)c2ccccc2n1)C(=O)[O-] to increase its MR value.,CCCC(Nc1nc(NC)c2c(O)cccc2n1)C(=O)[O-]
QED,Modify the molecule Cc1c(C#N)c(N)n(C2C[NH+]3CCC2CC3)c1C to have a higher QED value.,Cc1c(C#N)cn(C2C[NH+]3CCC2CC3)c1C
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cccc(CC(=O)N2CC(Oc3nc4c(C)cccc4s3)C2)c1
BondNum,"There is a molecule composed of 18 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",C[NH+]=C(NCc1cccc(N2CC=CC2)c1)NC1CCC(C)CC1
FunctionalGroup,"The molecule contains 1 amide group, 1 halo group, and 1 sulfide group.",O=C(Nc1nnc(-c2ccco2)o1)c1ccc(Cl)s1
AddComponent,Please add a benzene ring to the molecule Cc1cc(C[NH+](C)CC(O)c2ccc(F)cc2C)no1.,Cc1cc(C[NH+](C)CC(O)c2cc(-c3ccccc3)c(F)cc2C)no1
SubComponent,Please substitute a OCCN(CCO)c1nc2ccccc2s1 in the molecule hydroxyl with a nitrile.,N#CCCN(CCO)c1nc2ccccc2s1
DelComponent,Remove a amine from the molecule CC(Nc1nccc(C(=O)[O-])c1F)c1nncn1C.,CC(c1nccc(C(=O)[O-])c1F)c1nncn1C
LogP,Optimize the molecule O=C(NC1CCCOC1)C1CCc2cccnc21 to have a higher LogP value.,c1cnc2c(c1)CC2C1CCCOC1
MR,Optimize the molecule O=S(=O)(c1ccc(Br)cc1)c1ccc(-c2n[nH]c(=S)s2)cc1 to have a lower MR value.,O=S(=O)(c1ccccc1)c1ccc(-c2n[nH]c(=S)s2)cc1
QED,Optimize the molecule Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3C)c2C)C(C)C)CC1 to have a higher QED value.,Cc1ccc(C(=O)NF)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3C)c2C)C(C)C)CC1
AtomNum,"There is a molecule with 16 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCCc1ccc(C(NN)C2C[NH+](CC)CCO2)cc1
BondNum,"The molecule consists of 21 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",Cc1ncc(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(C2CC2)n1
FunctionalGroup,There is a molecule with and 2 amide groups.,CC(C)C1CCC([NH+]2CCN(CC(=O)NCC(=O)N3CCCC3)CC2)CC1
AddComponent,Please add a benzene ring to the molecule CCCCCc1ccc(C2CCC(C3SCC(CCCC)CS3)CC2)c(C)c1.,CCCCC1CSC(C2CCC(c3ccc(CC(CCC)c4ccccc4)cc3C)CC2)SC1
SubComponent,Modify the molecule halo by substituting a COC(=O)c1ccc(-c2c3nc(c(C(F)(F)F)c4ccc([nH]4)c(-c4ccc(C(=O)OC)cc4)c4ccc([nH]4)c(C(F)(F)F)c4nc2C=C4)C=C3)cc1 with a nitro.,COC(=O)c1ccc(-c2c3nc(c(C(F)(F)F)c4ccc([nH]4)c(-c4ccc(C(=O)OC)cc4)c4ccc([nH]4)c(C(F)(F)NO)c4nc2C=C4)C=C3)cc1
DelComponent,Modify the molecule halo by removing a Cc1ncc(CNC(=O)CCl)s1.,CC(=O)NCc1cnc(C)s1
LogP,Modify the molecule CCC(=O)Nc1ccc(C)c(NC(=O)CCSc2ccc(C)c(C)c2)c1 to increase its LogP value.,CCC(=O)Nc1ccc(C)c(CSc2ccc(C)c(C)c2)c1
MR,Please modify the molecule CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccccc1OCc1ccccc1 to decrease its MR value.,CCCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccccc1OC
QED,Please modify the molecule COc1ccc(NC(=O)c2cc(-c3ccco3)n(C)n2)cc1C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCC[NH3+] to increase its QED value.,CON(C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCC[NH3+])C(=O)c1cc(-c2ccco2)n(C)n1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cc1nc(C2CN(C(=O)c3cc(C)n(CC4CC4)c3C)CCO2)n[nH]1
BondNum,"Please generate a molecule consisting 10 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",C[NH2+]C1CCCc2c(OCc3nccs3)cccc21
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 ester group.",C=C(CC=CC(=O)[O-])C(=O)OCc1ccccc1
AddComponent,Add a benzene ring to the molecule Cc1ccc2c(c1)NC(C1CC1)CC(=O)N2.,Cc1ccc2c(c1-c1ccccc1)NC(C1CC1)CC(=O)N2
SubComponent,Please substitute a CC(C)[NH2+]Cc1ccccc1-c1c(F)cccc1F in the molecule halo with a hydroxyl.,CC(C)[NH2+]Cc1ccccc1-c1c(O)cccc1F
DelComponent,Remove a Cc1ccccc1-n1nc(C[NH3+])cc1-c1ccccc1Cl from the molecule halo.,Cc1ccccc1-n1nc(C[NH3+])cc1-c1ccccc1
LogP,Modify the molecule CCCCC(CCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)[NH+]1CCCC1 to decrease its LogP value.,CCCCC(CCCCC(=O)N1c2ncccc2-c12cccc-2)[NH+]1CCCC1
MR,Modify the molecule Cn1cc(I)c(C(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Cl)n1 to have a lower MR value.,Cn1cc(C#N)c(C(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Cl)n1
QED,Modify the molecule COc1ccc(C)cc1C(O)CN1C(=O)CC(C)(C)C1=O to decrease its QED value.,COc1ccc(C)cc1C(CN1C(=O)CC(C)(C)C1=O)C(=O)[OH]
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",COc1cc(NC(C(N)=O)C(C)C)c(F)cc1N
BondNum,"There is a molecule composed of 23 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC1(C)COC2(CC3CC(O)C(OC(=O)OCc4ccccc4)C3C2)OC1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 4 amine groups.",C=C(CCC[NH+]1CCC(CCCOc2ccc(C(N)=[NH2+])cc2)CC1)c1ccc(C(N)=[NH2+])cc1
AddComponent,Modify the molecule Cc1cc2c(nc1CCCCOC1CC[NH+](C(C(=O)[O-])c3ccccc3)C1)NCCC2 by adding a hydroxyl.,Cc1cc2c(nc1CCCCOC1CC[NH+](C(C(=O)[O-])c3cccc(O)c3)C1)NCCC2
SubComponent,Substitute a halo in the molecule O=C(NCCCCCCCl)Nc1ccc(-c2ccc(NC(=O)NCCCCCCCl)cc2)cc1 with a aldehyde.,CC(=O)CCCCCCNC(=O)Nc1ccc(-c2ccc(NC(=O)NCCCCCCCl)cc2)cc1
DelComponent,Remove a C[NH2+]C1CN(c2c(C)cccc2C)C(C)(C)C1 from the molecule benzene ring.,CCN1CC([NH2+]C)CC1(C)C
LogP,Please optimize the molecule CC(C)N(CC(F)(F)F)S(=O)(=O)N1CCC(C(=O)[O-])CC1 to have a lower LogP value.,CC(C)N(CC(F)(F)C(=O)[OH])S(=O)(=O)N1CCC(C(=O)[O-])CC1
MR,Please modify the molecule CC1CC(Nc2ncccc2Cl)CS1 to increase its MR value.,CC1CC(Nc2nccc(O)c2Cl)CS1
QED,Modify the molecule Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)c(Br)c1 to decrease its QED value.,Cc1c(S)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)c(Br)c1
AtomNum,"The molecule consists of 17 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 sulfur atoms.",Cc1cc(NC(=O)c2cnc(-c3cccs3)s2)ccc1N(C)C
BondNum,"The molecule consists of 15 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",CC(=O)N1CCN(c2nccc(Nc3cccc(C(F)(F)F)c3)n2)CC1
FunctionalGroup,Please generate a molecule consisting and 1 amine group.,Cc1cc(NCCn2cnc(C(=O)[O-])c2)n2ncnc2c1
AddComponent,Add a nitrile to the molecule Cc1cc(-c2cnc(C(=O)N3CCN(S(=O)(=O)c4[nH]c5ccc(Cl)cc5c4O)CC3)nc2)ccn1.,Cc1cc(-c2cnc(C(=O)N3CCN(S(=O)(=O)c4[nH]c5cc(C#N)c(Cl)cc5c4O)CC3)nc2)ccn1
SubComponent,Substitute a O=C([O-])CCc1ccc(I)c(F)c1 in the molecule halo with a hydroxyl.,O=C([O-])CCc1ccc(O)c(F)c1
DelComponent,Modify the molecule Cc1ccc(C)c(C=C2CC[NH2+]CC2)c1 by removing a benzene ring.,CCC=C1CC[NH2+]CC1
LogP,Modify the molecule CN(C(=O)CCCS(=O)c1ccc2c(c1)CN1C(=[NH+]C(=O)C1(C)C)N2)C1CCCCC1 to have a higher LogP value.,CCC1NCc2cc(S(=O)CCCC(=O)N(C)C3CCCCC3)ccc2N1
MR,Modify the molecule CC(=O)c1sc(NCCC2CC[NH+](C)CC2)nc1C(=O)[O-] to have a lower MR value.,CC(=O)c1sc(CCC2CC[NH+](C)CC2)nc1C(=O)[O-]
QED,Modify the molecule Cc1cscc1C(=O)N1CCCCCO1 to increase its QED value.,Cc1cscc1C(=O)N1CCC(N)CCO1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCC(C#N)N1CCN(S(=O)(=O)c2cn(C)cn2)CC1
BondNum,"The molecule consists of 16 single bonds, and 4 rotatable bonds.",CN(CC1CCCCC1)C(CN)C(F)(F)F
FunctionalGroup,"The molecule is composed of 1 amine group, and 2 halo groups.",CC(Nc1ncnc(Cl)c1Br)c1ccco1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(C2(C(=O)N3CCOCC(Cc4ccc5nccn5c4)C3)CCCCC2)cc1.,Cc1ccc(C2(C(=O)N3CCOCC(Cc4ccc5nc(O)cn5c4)C3)CCCCC2)cc1
SubComponent,Please substitute a halo in the molecule Cc1cc(C)cc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c1 with a nitro.,Cc1cc(C)cc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)NO)c1
DelComponent,Modify the molecule Cc1cc2oc(=O)cc(COC(=O)c3ccc4c(c3)OCO4)c2cc1Cl by removing a halo.,Cc1ccc2c(COC(=O)c3ccc4c(c3)OCO4)cc(=O)oc2c1
LogP,Optimize the molecule Cc1ccc(-c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)cc1Cl to have a lower LogP value.,Cc1ccc(-c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)cc1C#N
MR,Modify the molecule Cc1ccc(C(=O)OC(C)C(=O)NCc2ccccc2)cc1NC(=O)c1ccco1 to have a higher MR value.,Cc1c(CC=O)cc(C(=O)OC(C)C(=O)NCc2ccccc2)cc1NC(=O)c1ccco1
QED,Optimize the molecule Cc1cc(NC(=O)CC[NH+](C)Cc2ccccc2Br)no1 to have a lower QED value.,Cc1cc(NC(=O)CC[NH+](CO)Cc2ccccc2Br)no1
AtomNum,"Please generate a molecule with 21 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",C[NH2+]C(C(=O)N1CC(O)CC1C(=O)NC(C)c1ccc(C#N)cc1)C(C)(C)C
BondNum,There is a molecule with 12 single bonds.,CC1C(O)CC(C)(C)N([O-])C1C
FunctionalGroup,"Please generate a molecule with 1 halo group, and 1 nitrile group.",COCC(Cn1c(C(C)Cl)nc2c(C#N)cccc21)OC
AddComponent,Modify the molecule C=CCN1C(=O)C2(OC(CCn3cc(CCO)nn3)C(C(C)(C)c3ccc(OC)cc3)C2C)c2cc(N3CCCCC3=O)ccc21 by adding a benzene ring.,C=CCN1C(=O)C2(OC(C(Cn3cc(CCO)nn3)c3ccccc3)C(C(C)(C)c3ccc(OC)cc3)C2C)c2cc(N3CCCCC3=O)ccc21
SubComponent,Modify the molecule nitrile by substituting a CCOC(=O)c1cc(CCC#N)cc(OC)c1 with a thiol.,CCOC(=O)c1cc(CCS)cc(OC)c1
DelComponent,Please remove a benzene ring from the molecule BP(c1ccccc1C)c1ccccc1Cc1ccc(OC)cc1.,BP(C)c1ccccc1Cc1ccc(OC)cc1
LogP,Modify the molecule NN=NC(=[NH+]c1cccc(Cl)c1F)c1cc(-c2cnn(C3CCN(C(=O)CO)CC3)c2)cnc1N to decrease its LogP value.,NN=NC(=[NH+]c1cccc(NO)c1F)c1cc(-c2cnn(C3CCN(C(=O)CO)CC3)c2)cnc1N
MR,Optimize the molecule Cc1cccc(COc2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2Cl)c1 to have a lower MR value.,Cc1cccc(COc2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2)c1
QED,Optimize the molecule CSc1ccc(C[NH2+]CCOCC(F)F)cc1 to have a lower QED value.,CSC[NH2+]CCOCC(F)F
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 fluorine atoms.",CCCNC(=O)C1CC1C(=O)Nc1ccc(F)c(F)c1
BondNum,"Please generate a molecule consisting 8 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccccc1COc1cc(F)ccc1B(O)O
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 sulfide group.",Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CC1OCCc2ccsc21
AddComponent,Modify the molecule CCNC(NC1CCCC(C(=O)NC(C)C)C1)=[NH+]CCc1nc(C(C)C)no1 by adding a hydroxyl.,CCNC(NC1CCCC(C(=O)NC(C)C)C1O)=[NH+]CCc1nc(C(C)C)no1
SubComponent,Modify the molecule nitrile by substituting a CCCOc1ncccc1CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C with a hydroxyl.,CCCOc1ncccc1CNC(=O)CCc1c(C)nc2c(O)cnn2c1C
DelComponent,Remove a amide from the molecule CN1C(=O)Cc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21.,Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
LogP,Modify the molecule Cc1c(C)c2c(c(C)c1N1C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C1=O)CCC2(C)C to decrease its LogP value.,Cc1c(C)c2c(c(C)c1N1C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)S)cc3C1=O)CCC2(C)C
MR,Optimize the molecule CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)Oc1ccc(CCl)cc1 to have a higher MR value.,CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)Oc1ccc(CCl)c(-c2ccccc2)c1
QED,Please modify the molecule Cc1ccc(OC(C)C(=O)NC(CC(=O)[O-])c2ccccc2C)cc1 to decrease its QED value.,Cc1ccc(OC(C)C(=O)NC(CC(=O)[O-])c2ccccc2C)c(O)c1
AtomNum,"The molecule consists of 18 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",CCC1=CC(CC)C2C(=O)N(c3ccc(Cl)cc3)C1C2C(=O)[O-]
BondNum,"Please generate a molecule consisting 4 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",NOCCc1ccnc2ccccc12
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 5 halo groups.",Cc1ncc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1c(C(F)F)nc2cccnn12
AddComponent,Modify the molecule CC(CC(N)=[NH+]O)[NH2+]CCCC(F)(F)F by adding a nitrile.,CC(CC(N)=[NH+]O)[NH2+]C(C#N)CCC(F)(F)F
SubComponent,Modify the molecule halo by substituting a O=C(NCC(c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 with a hydroxyl.,O=C(NCC(c1c(O)cccc1Cl)[NH+]1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1
DelComponent,Modify the molecule benzene ring by removing a CC(OC(=O)Cc1csc(-c2ccsc2)n1)C(=O)Nc1ccc(C#N)cc1.,CC(OC(=O)Cc1csc(-c2ccsc2)n1)C(=O)NC#N
LogP,Modify the molecule O=C(OCC(Cl)(Cl)Cl)N1CC(CO)OCC1c1ccccc1 to decrease its LogP value.,O=C(OCC(Cl)Cl)N1CC(CO)OCC1c1ccccc1
MR,Optimize the molecule O=C(NCc1nncn1-c1ccc(F)cc1)c1cnc(OC2CCOC2)c(Cl)c1 to have a lower MR value.,O=C(NCc1nncn1-c1ccc(F)cc1)c1ccc(OC2CCOC2)nc1
QED,Modify the molecule CC(C)CNC(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(=O)N4CCCC(C)C4)cc3)CC2)ccc1Cl to have a lower QED value.,CC(C)CNC(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(=O)N4CCCC(C)C4)cc3)CC2)ccc1C(=O)[OH]
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",N#CC1=C([NH3+])N(c2ccccc2[N+](=O)[O-])C2=C(C(=O)CCC2)C1c1ccc(Br)s1
BondNum,"Please generate a molecule with 9 single bonds, 1 triple bond, 5 rotatable bonds, and 12 aromatic bonds.",CCCc1c(NN)ncnc1N(C)c1ccccc1C#N
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 amide group.",Cc1nnc2n1-c1ccccc1C(c1ccccc1)=NC2NC(=O)Cc1ccccc1
AddComponent,Modify the molecule COC(=O)c1cc(Cl)ccc1CCC(O)c1cccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1 by adding a benzene ring.,COC(=O)c1cc(Cl)cc(-c2ccccc2)c1CCC(O)c1cccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1
SubComponent,Please substitute a halo in the molecule CCCCc1nc(Cl)c(C(=O)OCOC(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 with a hydroxyl.,CCCCc1nc(O)c(C(=O)OCOC(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
DelComponent,Modify the molecule CNc1c(C)c(N2CCOc3c(C)cc(-c4cnc5sc(N)nc5c4)cc3C2)nc(N)[n+]1C by removing a amine.,CNc1c(C)c(N2CCOc3c(C)cc(-c4cnc5sc(N)nc5c4)cc3C2)nc[n+]1C
LogP,Optimize the molecule Cc1ccccc1-c1noc(C[NH+]2CCC(c3ccn[nH]3)CC2)n1 to have a lower LogP value.,Cc1noc(C[NH+]2CCC(c3ccn[nH]3)CC2)n1
MR,Optimize the molecule Cc1c(N)ncnc1Sc1nnc(C)n1C to have a lower MR value.,Cc1cncnc1Sc1nnc(C)n1C
QED,Optimize the molecule CCc1csc2cc(C=O)c(F)cc12 to have a lower QED value.,CC(=O)c1cc2c(CC)csc2cc1C=O
AtomNum,"There is a molecule with 35 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 2 fluorine atoms, and 1 chlorine atom.",CCCNC(=O)c1cc(Cl)ccc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3ccc(F)cc3F)ccc2C)CC1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",Nc1cn(C2CC[NH2+]CC2)cnc1=O
FunctionalGroup,"The molecule contains 1 benzene ring group, and 4 halo groups.",C[NH2+]C(C)c1ccc(N(CC(F)(F)F)C(C)C)cc1Cl
AddComponent,Add a nitrile to the molecule N#CCCCC[NH+](CCCCC#N)CCOCCOCCOCCOCCO.,N#CCCCC[NH+](CCCCC#N)CCOCCOCCOCCOCC(O)C#N
SubComponent,Substitute a Cc1ccc(C2C([NH3+])CCCN2CC(C)C)cc1Cl in the molecule halo with a hydroxyl.,Cc1ccc(C2C([NH3+])CCCN2CC(C)C)cc1O
DelComponent,Please remove a benzene ring from the molecule COc1cc(CN(C)C(=O)Nc2c(C)cccc2C)ccc1SC.,COC(SC)N(C)C(=O)Nc1c(C)cccc1C
LogP,Optimize the molecule O=c1[nH]c(C[NH2+]Cc2ccc(O)cc2O)cs1 to have a lower LogP value.,O=c1[nH]c(C[NH2+]C(O)O)cs1
MR,Please optimize the molecule Cc1cc(C)cc(C(=O)NC2(CO)CC2)c1 to have a lower MR value.,Cc1cc(C)cc(C(=O)NC2(C)CC2)c1
QED,Please optimize the molecule CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(OC)c(O)c1 to have a lower QED value.,CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(OCO)c(O)c1
AtomNum,"The molecule consists of 12 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CN(C)c1cc(N2CCCC(C(=O)[O-])C2)ncn1
BondNum,"The molecule consists of 21 single bonds, 3 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)OC(=O)CC(CCCCO)C(=O)N1C(=O)OCC1Cc1ccccc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 nitro group, and 1 halo group.",Cc1nn(-c2ccc(Br)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1
AddComponent,Modify the molecule CC1CCC(Nc2ccc([N+](=O)[O-])cc2Br)(C(=O)[O-])CC1 by adding a carboxyl.,CC1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)O)c2Br)(C(=O)[O-])CC1
SubComponent,Substitute a Cc1ccc(Cc2nc(Cl)c(I)c(C(C)(C)C)n2)cc1 in the molecule halo with a aldehyde.,CC(=O)c1nc(Cc2ccc(C)cc2)nc(C(C)(C)C)c1I
DelComponent,Please remove a COc1ccc(Nc2nc(Nc3ccccc3)c3cnn(C)c3n2)cc1 from the molecule amine.,COc1ccc(Nc2nc(-c3ccccc3)c3cnn(C)c3n2)cc1
LogP,Optimize the molecule Nc1cc(Cc2cc3c(NC(=O)Nc4cc(Cl)ccc4F)cccc3[nH]2)ccn1 to have a lower LogP value.,Nc1cc(Cc2cc3c(NC(=O)N(F)Cl)cccc3[nH]2)ccn1
MR,Please modify the molecule COc1cccc(N2CCC(CNC(=O)c3ccc(=O)n(C)c3)C2)c1 to decrease its MR value.,CON1CCC(CNC(=O)c2ccc(=O)n(C)c2)C1
QED,Modify the molecule O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1cccs1 to increase its QED value.,O=C(Nc1ccc2c(c1)N([SH](=O)=O)CCC2)c1cccs1
AtomNum,"The molecule contains 45 carbon atoms, 5 oxygen atoms, and 7 nitrogen atoms.",COC(=O)NC(C(=O)N1CCCC1c1[nH]c(-c2ccc(-c3ccc(OC)c(-c4c[nH+]c(C5CCCN5C(=O)Cc5ccccc5)[nH]4)c3)cc2)c[nH+]1)c1ccccc1
BondNum,"The molecule consists of 7 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",CCn1nc(CSC)cc1C(=O)[O-]
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 amide groups.",COc1cccc(C(=O)NCC2CCN(C(=O)C=Cc3ccco3)CC2)c1
AddComponent,Add a carboxyl to the molecule Cc1ccc(O)c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1.,Cc1ccc(O)c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C(=O)O)c1
SubComponent,Please substitute a [C-]#[N+]c1nc(Cl)c(Nc2ccccc2)nc1[N+]#[C-] in the molecule halo with a thiol.,[C-]#[N+]c1nc(S)c(Nc2ccccc2)nc1[N+]#[C-]
DelComponent,Please remove a benzene ring from the molecule CN(C)c1ccc(C=Cc2c(O)c(OC=O)c3ccccc3[n+]2C)cc1.,CN(C)C=Cc1c(O)c(OC=O)c2ccccc2[n+]1C
LogP,Modify the molecule O=C(Cc1cccc([N+](=O)[O-])c1)Nc1sccc1C(=O)[O-] to decrease its LogP value.,O=[SH]c1cccc(CC(=O)Nc2sccc2C(=O)[O-])c1
MR,Optimize the molecule CCc1ccccc1N1C(=S)NC2CC1(C)Oc1c(OC)cccc12 to have a higher MR value.,CCc1ccccc1N1C(=S)NC2CC1(C)Oc1c2ccc(C#N)c1OC
QED,Modify the molecule OCCC(c1ccccc1)P(c1ccccc1)c1ccccc1 to have a lower QED value.,N#CCCC(c1ccccc1)P(c1ccccc1)c1ccccc1
AtomNum,"The molecule contains 37 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",Cc1ccccc1NC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3cccc(C(=O)NC(C)C)c3)C(C)C)CC2)ccc1Cl
BondNum,"The molecule has 6 single bonds, 4 rotatable bonds, and 17 aromatic bonds.",COc1cc(C[NH3+])cc(Oc2ccc3nccnc3n2)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 2 halo groups.",COc1cc(C(=O)Nc2cnc(Cl)c(C)c2)ccc1F
AddComponent,Please add a benzene ring to the molecule CN(NC(=O)c1cnc(OCC(F)(F)F)c(C2CCCC2)c1)c1ccccc1.,O=C(NN(Cc1ccccc1)c1ccccc1)c1cnc(OCC(F)(F)F)c(C2CCCC2)c1
SubComponent,Please substitute a halo in the molecule CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)C2c2coc3ccc(F)cc3c2=O)cc1OC with a thiol.,CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)C2c2coc3ccc(S)cc3c2=O)cc1OC
DelComponent,Remove a CC(=O)c1cnn(C(C)(C)C)c(=O)c1-c1ccccc1 from the molecule benzene ring.,CC(=O)c1cnn(C(C)(C)C)c(=O)c1
LogP,Optimize the molecule CC(=O)OC1CC2CCC(C2)C1 to have a higher LogP value.,CC(=O)OC1CC2CC(C1)C(c1ccccc1)C2
MR,Please modify the molecule Clc1cccc2ccc3[nH+]c(Br)cn3c12 to decrease its MR value.,Brc1cn2c(ccc3ccccc32)[nH+]1
QED,Please optimize the molecule [NH3+]CC1(C[NH2+]Cc2ccc(F)c(Cl)c2)COC1 to have a lower QED value.,CC(=O)c1ccc(C[NH2+]CC2(C[NH3+])COC2)cc1Cl
AtomNum,"There is a molecule composed of 21 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",O=C1NC(=O)C(c2ccccc2)(c2cccc(-c3ccccc3)c2)N1
BondNum,"The molecule contains 4 single bonds, and 11 aromatic bonds.",Cc1cc(Br)c2ncc(Br)c(Br)c2c1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 sulfide group.",CCOc1ccc2oc(C(=O)N(C)C(C)c3nc4ccccc4s3)c(C)c2c1
AddComponent,Modify the molecule Cc1ccc(OCc2ccc(C[NH+]3CCOC(CO)C3)cc2C#N)c(-c2csc(N3CC4CCC(C3)C4C(=O)[O-])n2)c1 by adding a benzene ring.,Cc1ccc(OCc2ccc(C[NH+]3CCOC(CO)C3)cc2C#N)c(-c2csc(N3CC4CCC(C3)C4C(=O)[O-])n2)c1-c1ccccc1
SubComponent,Substitute a C[NH2+]C(CC[NH+]1CCCC(O)C1)c1ccc(F)cn1 in the molecule hydroxyl with a halo.,C[NH2+]C(CC[NH+]1CCCC(I)C1)c1ccc(F)cn1
DelComponent,Remove a amine from the molecule NC(=S)c1ccc(-c2ccc(=O)[nH]n2)cc1.,O=c1ccc(-c2ccc(C=S)cc2)n[nH]1
LogP,Optimize the molecule CC(C)(CCl)S(=O)(=O)c1ncccn1 to have a lower LogP value.,CC(C)(C)S(=O)(=O)c1ncccn1
MR,Please optimize the molecule Cn1ccnc1C(NC(=O)C(C)(C)CCl)c1ccccc1 to have a higher MR value.,Cn1ccnc1C(O)(NC(=O)C(C)(C)CCl)c1ccccc1
QED,Modify the molecule CC(C)(CO)[NH2+]C1CCc2ccsc21 to have a lower QED value.,CC(C)(CNO)[NH2+]C1CCc2ccsc21
AtomNum,"The molecule contains 24 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)OCc2cc(C#N)ccc2F)C(C)C)c1
BondNum,"The molecule consists of 13 single bonds, 1 double bond, 7 rotatable bonds, and 5 aromatic bonds.",CC(C)OCCCNC(=O)c1cc(Br)cn1C(C)C
FunctionalGroup,"Please generate a molecule consisting 5 halo groups, 1 thioether group, and 1 thiol group.",CC(C)(F)CC(CCCS)CC(C)(F)C(F)(F)F
AddComponent,Add a aldehyde to the molecule CCn1cc(CC[NH3+])c2c(Cl)cccc21.,CCn1cc(C(C[NH3+])CC=O)c2c(Cl)cccc21
SubComponent,Substitute a O=C([O-])c1ccc(Cl)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1 in the molecule halo with a hydroxyl.,O=C([O-])c1ccc(O)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1
DelComponent,Please remove a amine from the molecule COCCOc1ccc(S(=O)(=O)NCc2ccccc2COC(C)C)cc1C.,COCCOc1ccc(S(=O)(=O)Cc2ccccc2COC(C)C)cc1C
LogP,Modify the molecule CCN1C(=O)CCCC([NH3+])C1c1ccc(F)cc1C to have a lower LogP value.,CCN1C(=O)CCCC([NH3+])C1c1ccc(O)cc1C
MR,Optimize the molecule COC(C=Cc1ccccc1)C(C)C=CCO to have a higher MR value.,COC(C=Cc1ccccc1)C(C)C=CCI
QED,Please optimize the molecule CCOC(=O)C(C)(C)Oc1ccc(-c2ccc(C)c(Cn3c(C(=O)[O-])c(-c4ccc(C(C)(C)C)cc4)c4c(CC)cccc43)c2)cc1 to have a higher QED value.,CCOC(=O)C(C)(C)Oc1ccc(C)c(Cn2c(C(=O)[O-])c(-c3ccc(C(C)(C)C)cc3)c3c(CC)cccc32)c1
AtomNum,"Please generate a molecule with 10 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",C#CCNC(=O)NC(C)C1CCC1
BondNum,"Please generate a molecule with 23 single bonds, 2 double bonds, and 10 rotatable bonds.",CC(C)(CC(C)(Br)C(=O)OCCOC1CCCCO1)C(=O)OCCS
FunctionalGroup,"Please generate a molecule with 2 amine groups, 1 nitro group, 1 halo group, and 1 sulfide group.",O=[N+]([O-])c1ccc(C=CC=C2SC(=S)[NH+]=C2Nc2ccc(Cl)cn2)o1
AddComponent,Modify the molecule Cc1ccc(C([NH3+])CC2CCCCO2)c(F)c1F by adding a benzene ring.,Cc1ccc(C([NH3+])CC2OCCCC2c2ccccc2)c(F)c1F
SubComponent,Please substitute a nitrile in the molecule CCc1ccc(S(=O)(=O)N(C)C(C)(C)C#N)s1 with a halo.,CCc1ccc(S(=O)(=O)N(C)C(C)(C)I)s1
DelComponent,Remove a amine from the molecule CS(=O)(=O)NC1C2C[NH2+]C1C2.,CS(=O)(=O)C1C2C[NH2+]C1C2
LogP,Modify the molecule COC(=O)c1cccc(N2CCC([NH3+])C2)c1 to have a higher LogP value.,COC(=O)c1cccc(N2CC([NH3+])C(c3ccccc3)C2)c1
MR,Please modify the molecule Cc1cc2nc3cc(C(F)(F)F)ccc3oc-2cc1=O to decrease its MR value.,Cc1cc2nc3cc(C(F)F)ccc3oc-2cc1=O
QED,Modify the molecule CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC([NH3+])=C(C#N)C3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 to decrease its QED value.,CC(=O)C1=C([NH3+])Oc2cc(OC(=O)c3cccc(OCCC)c3)ccc2C1c1ccc(OCc2ccc(Cl)cc2)c(OC)c1
AtomNum,"There is a molecule with 20 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 4 fluorine atoms.",CC(C)[N+]1(c2ccc(F)cc2)CSC(OCC(=O)Nc2ccccc2)(C(F)(F)F)N1
BondNum,"There is a molecule consisting of 16 single bonds, 5 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccco1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 ester group, 1 amide group, and 1 halo group.",CN(C(=O)c1ccc(Cl)cc1)C1CCC(c2ccc(CC[NH2+]CC(=O)OC(C)(C)C)cc2)CC1
AddComponent,Add a amine to the molecule O=C1CC2(CCSC2)C(=O)N1Cc1noc(C2CC2)n1.,NC1SCCC12CC(=O)N(Cc1noc(C3CC3)n1)C2=O
SubComponent,Modify the molecule halo by substituting a C#CC(OC(=O)C1C(C=C(Cl)C(F)(F)F)C1(C)C)C(F)=CC(F)(F)F with a aldehyde.,CC(=O)C(=CC1C(C(=O)OC(C#C)C(F)=CC(F)(F)F)C1(C)C)C(F)(F)F
DelComponent,Modify the molecule Cc1cccc(N2CCN(C(=O)C=Cc3ccc(C(=O)N(C)C)cc3)CC2)c1C by removing a benzene ring.,CCN1CCN(C(=O)C=Cc2ccc(C(=O)N(C)C)cc2)CC1
LogP,Please optimize the molecule CCOc1cc(C2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2Cl)ccc1OC(C)C to have a higher LogP value.,CCOc1cc(C2C(c3ccc(C)cc3)=C(S)C(=O)N2c2ccc(Cl)cc2Cl)ccc1OC(C)C
MR,Modify the molecule CCC(C)OC(=O)C(CCc1ccccc1)C(=O)[O-] to have a lower MR value.,CCC(C)OC(=O)C(CC)C(=O)[O-]
QED,Optimize the molecule CC1CCN(C(=O)C[NH+](C)C)C(C[NH3+])C1 to have a lower QED value.,CC1CCN(C(=O)C[NH+](C)C)C(C([NH3+])C(=O)O)C1
AtomNum,"The molecule consists of 11 carbon atoms, 3 nitrogen atoms, and 2 chlorine atoms.",Cc1nn(C)c(C[NH2+]CC(Cl)C2CC2)c1Cl
BondNum,"The molecule contains 12 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",CCC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, 1 amine group, and 2 halo groups.",CCOC(=O)c1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1
AddComponent,Please add a benzene ring to the molecule Cc1nc(CC[NH+]2CCC(C(=O)[O-])CC2)sc1C(=O)[O-].,Cc1nc(CC(c2ccccc2)[NH+]2CCC(C(=O)[O-])CC2)sc1C(=O)[O-]
SubComponent,Substitute a hydroxyl in the molecule O=C1CCCCCN1CC(=O)N1CCC(O)(C[NH+]2CCOCC2)C1 with a aldehyde.,CC(=O)C1(C[NH+]2CCOCC2)CCN(C(=O)CN2CCCCCC2=O)C1
DelComponent,Remove a CC(NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 from the molecule benzene ring.,CC(NC(=O)CCCN(Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2
LogP,Please optimize the molecule CCC(=O)N1CCCCC1c1ccc(N)cc1 to have a higher LogP value.,CC1(c2ccc(N)cc2)CCCC1
MR,Please optimize the molecule CC(C)CC(NC(=O)c1cc2cc(F)ccc2o1)C(=O)N(C1CCC[NH2+]CC1=O)S(=O)(=O)c1ccccn1 to have a higher MR value.,CC(C)CC(NC(=O)c1cc2cc(C(=O)[OH])ccc2o1)C(=O)N(C1CCC[NH2+]CC1=O)S(=O)(=O)c1ccccn1
QED,Please modify the molecule COc1ccc(C(=O)Oc2ccc(C=NNc3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)cc1 to increase its QED value.,COc1ccc(C(=O)Oc2ccc(C=NNc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 nitrogen atom, 1 sulfur atom, 3 fluorine atoms, and 2 bromine atoms.",C[NH2+]C(c1ccc(Br)c(C(F)(F)F)c1)c1cc(Br)sc1C
BondNum,"Please generate a molecule with 2 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",c1ccc(Cc2cccnn2)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 ester group, and 3 halo groups.",COC(=O)Cc1cc(O)cc(C(F)(F)F)c1
AddComponent,Modify the molecule CNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 by adding a hydroxyl.,CNC(=O)C(CO)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1
SubComponent,Please substitute a CC1(C)C(C(F)(F)F)CCN1C(=O)NCC1CC(=O)N(C2CC2)C1 in the molecule halo with a nitro.,CC1(C)C(C(F)(F)NO)CCN1C(=O)NCC1CC(=O)N(C2CC2)C1
DelComponent,Remove a amine from the molecule CCCc1[nH+]ccn1-c1nc2c(N)cccc2o1.,CCCc1[nH+]ccn1-c1nc2ccccc2o1
LogP,Optimize the molecule COc1c(Br)cc(C2([NH3+])CCCCC2)cc1OCC1CC1 to have a lower LogP value.,COc1c(S)cc(C2([NH3+])CCCCC2)cc1OCC1CC1
MR,Please optimize the molecule CCCCCCCCCC(=O)NCCc1cccc(Cl)c1 to have a higher MR value.,O=C(CCCCCCCCCO)NCCc1cccc(Cl)c1
QED,Please modify the molecule Cc1c(C(=O)NCC2CCC(O)C2)cccc1[N+](=O)[O-] to decrease its QED value.,Cc1c(C(=O)NCC2(O)CCC(O)C2)cccc1[N+](=O)[O-]
AtomNum,"There is a molecule with 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COC(=O)C(CC1CCCC1)n1cc(SC(C)C)cn1
BondNum,"The molecule is composed of 9 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CCNc1cc[nH+]cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl
FunctionalGroup,The molecule consists of and 1 amine group.,CC1(CNc2ccccn2)CC[NH2+]CC1
AddComponent,Modify the molecule CCOC(=O)CN(CC)C(=O)c1cnc(Cl)cn1 by adding a hydroxyl.,CCOC(=O)CN(CC)C(=O)c1cnc(Cl)c(O)n1
SubComponent,Please substitute a halo in the molecule Cn1ncc2c(C(=O)NCCc3c[nH]c4ccccc34)cc(-c3ccc(C(F)(F)F)cc3)nc21 with a aldehyde.,CC(=O)C(F)(F)c1ccc(-c2cc(C(=O)NCCc3c[nH]c4ccccc34)c3cnn(C)c3n2)cc1
DelComponent,Modify the molecule O=C(NCc1cccnc1)C1CCN(C(=O)C=Cc2ccc(Oc3cccnc3)c(F)c2)CC1 by removing a halo.,O=C(NCc1cccnc1)C1CCN(C(=O)C=Cc2ccc(Oc3cccnc3)cc2)CC1
LogP,Please modify the molecule Cc1cccc(C[NH+]2CCN3C(=O)C(Cc4ccc(Cl)cc4)NC(=O)C3C2)c1 to decrease its LogP value.,Cc1cccc(C[NH+]2CCN3C(=O)C(N)(Cc4ccc(Cl)cc4)NC(=O)C3C2)c1
MR,Modify the molecule COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(F)cnn1C to decrease its MR value.,COc1ccc(NC(=O)Nc2ccccc2)cc1-c1c(F)cnn1C
QED,Please modify the molecule Cc1cc(C)c2c(C)c(N=Nc3ccc([N+](=O)[O-])cc3)c(C)cc2c1 to increase its QED value.,Cc1cc2c(O)c(C)cc(C)c2c(C)c1N=Nc1ccc([N+](=O)[O-])cc1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",CC(C)(C)c1ccccc1NC(=O)CCc1ccc(Cl)cc1
BondNum,"Please generate a molecule composed of 13 single bonds, 3 double bonds, and 4 rotatable bonds.",CCOC(=O)C1SC(=S)N(CC(=O)[O-])C1C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 ester groups, and 1 amide group.",CCOC(=O)CCCOc1ccccc1N(C)C(=O)CCCCCCCCCCC(=O)OC
AddComponent,Add a amine to the molecule CCc1cccc(C)c1NCc1ccccc1OCCc1ccccc1.,CCc1cccc(C)c1NC(N)c1ccccc1OCCc1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ccc(N=Nc2ccc3c(c2)c2ccccc2n3CCO)cc1 with a halo.,Cc1ccc(N=Nc2ccc3c(c2)c2ccccc2n3CCF)cc1
DelComponent,Remove a benzene ring from the molecule CC(C)COCCNS(=O)(=O)Cc1cccc(CO)c1.,CC(C)COCCNS(=O)(=O)CCO
LogP,Optimize the molecule C[NH+]=C(NCCc1ccc(F)cc1Cl)NCC[NH+]1CCCCC1 to have a higher LogP value.,CC(NCCc1ccc(F)cc1Cl)NCC[NH+]1CCCCC1
MR,Please optimize the molecule COC(=O)CCSCC(O)CO to have a higher MR value.,O=C(CCSCC(O)CO)OCO
QED,Please modify the molecule NCCCCCCO[P+](=O)CC(=O)N1CCCC1C(=O)O to decrease its QED value.,NCCCCCCO[P+](=O)CC(=O)N1CC(CC=O)CC1C(=O)O
AtomNum,"The molecule contains 20 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",O=C(NCc1cccc(OC(F)(F)F)c1)C1(c2ccccc2)CCCC1
BondNum,"There is a molecule with 22 single bonds, 1 double bond, 6 rotatable bonds, and 22 aromatic bonds.",CCOc1cc(F)c(Cn2nc(-c3ncc(C4CCN(C(=O)OC(C)(C)C)CC4)c(N)n3)c3ccccc32)c(F)c1
FunctionalGroup,"The molecule has 1 ester group, 1 halo group, and 1 sulfide group.",C=C(Cl)COC(=O)C=Cc1nc2ccccc2s1
AddComponent,Modify the molecule Nc1ccc(NC2CCCNC2=O)cc1C(F)(F)F by adding a benzene ring.,Nc1ccc(NC2CCCNC2=O)c(-c2ccccc2)c1C(F)(F)F
SubComponent,Substitute a hydroxyl in the molecule COC(=O)C(O)=C(C(=O)OC)N1C(C)[NH2+]C(C)(C)C1(C)C with a aldehyde.,CC(=O)C(C(=O)OC)=C(C(=O)OC)N1C(C)[NH2+]C(C)(C)C1(C)C
DelComponent,Modify the molecule halo by removing a Cc1cc(Br)c(-n2nnnc2C[NH2+]C(C)(C)C)c(Br)c1.,Cc1ccc(-n2nnnc2C[NH2+]C(C)(C)C)c(Br)c1
LogP,Modify the molecule OCc1cc(F)c(Oc2cc(F)ccc2Br)c(F)c1 to decrease its LogP value.,OCc1cc(O)c(Oc2cc(F)ccc2Br)c(F)c1
MR,Please modify the molecule CCNc1cc[nH+]cc1S(=O)(=O)NCCCS(C)(=O)=O to increase its MR value.,CCNc1cc[nH+]cc1S(=O)(=O)NC(CC=O)CCS(C)(=O)=O
QED,Optimize the molecule C[NH+]1CCN(c2ncccc2CNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 to have a higher QED value.,C[NH+]1CCN(c2ncccc2CNC(=O)CCc2ccc(S(=O)(=O)C3CC3)cc2)CC1
AtomNum,"The molecule has 16 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",CCNC(=O)Nc1ncc(C(=O)OCC)c(Nc2ccccc2)n1
BondNum,"There is a molecule composed of 18 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCNC(=[NH+]CCNC(=O)Cc1cccc(F)c1)N1CCN(c2ccccc2)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 1 nitrile group.",CCCC(O)c1ccn(Cc2ccc(C#N)c(OC)c2)c1
AddComponent,Add a hydroxyl to the molecule Cc1ccc(N2CC(C(=O)NN=Cc3ccccc3C(F)(F)F)CC2=O)cc1.,Cc1ccc(N2CC(C(=O)NN=C(O)c3ccccc3C(F)(F)F)CC2=O)cc1
SubComponent,Substitute a nitrile in the molecule N#Cc1ccc(CNc2cccc(-c3nnco3)c2)o1 with a hydroxyl.,Oc1ccc(CNc2cccc(-c3nnco3)c2)o1
DelComponent,Modify the molecule amine by removing a COCCNC(=O)c1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4)c4ccccc34)n2)cc(OC)c1.,COCCNC(=O)c1cc(OC)cc(-c2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4)c4ccccc34)n2)c1
LogP,Please optimize the molecule Cc1c(-c2[nH]c3ccc(C4CC[NH+](CC(C)(C)O)CC4)cc3c2C(C)C)cn(C)c(=O)c1C to have a higher LogP value.,CC(=O)C(C)(C)C[NH+]1CCC(c2ccc3[nH]c(-c4cn(C)c(=O)c(C)c4C)c(C(C)C)c3c2)CC1
MR,Please optimize the molecule O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1cc(Br)ccc1OCc1cccc(F)c1 to have a higher MR value.,O=C1NC(=O)N(c2cccc(C(=O)[OH])c2)C(=O)C1=Cc1cc(Br)ccc1OCc1cccc(F)c1
QED,Optimize the molecule CC(=O)N1CCCC(CNC(=O)N2CC3Oc4c(F)ccc(F)c4OC3C2)C1 to have a higher QED value.,O=C(NCC1CCCC1)N1CC2Oc3c(F)ccc(F)c3OC2C1
AtomNum,"There is a molecule with 29 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 3 chlorine atoms.",CC1C(C[NH+]2CCN(c3ncccn3)CC2)OC(c2cccc(NC(=O)C(Cl)(Cl)Cl)c2)OC1c1ccc(CO)cc1
BondNum,"The molecule is composed of 7 single bonds, 1 double bond, 5 rotatable bonds, and 23 aromatic bonds.",O=C(Nc1cccc2cccnc12)c1ccc(NCc2ccc(F)cc2)nn1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 ketone group, and 1 halo group.",Cc1ccc(C(=O)CC[NH+](C)Cc2ccccc2)cc1F
AddComponent,Add a benzene ring to the molecule COc1ccc(C)c(-n2nc3c(Nc4ccc(-c5cnc(C)o5)nc4)cccc3c2C)c1.,COc1ccc(C)c(-n2nc3c(Nc4cnc(-c5cnc(C)o5)cc4-c4ccccc4)cccc3c2C)c1
SubComponent,Please substitute a halo in the molecule Cc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)NCCC(=O)Nc4c(C)cccc4C(=O)Nc4ccc(F)c(F)c4)CC3)c(C)c2)cc1F with a thiol.,Cc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)NCCC(=O)Nc4c(C)cccc4C(=O)Nc4ccc(S)c(F)c4)CC3)c(C)c2)cc1F
DelComponent,Please remove a halo from the molecule COc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)cc1.,COc1ccc(NC(=O)Cc2c(C)[nH]c3ccccc23)cc1
LogP,Please modify the molecule CCC(NC(=O)OC(C)(C)C)C(=O)NCC1CC1 to increase its LogP value.,CCN(CC1CC1)C(=O)OC(C)(C)C
MR,Please optimize the molecule NNC(c1cccc(C2CCC2)c1)c1cc(F)ccc1Br to have a lower MR value.,NNC(c1cc(F)ccc1Br)C1CCC1
QED,Please optimize the molecule O=C(NCc1ccc(-n2cccn2)cc1)N1CCCC(C[NH+]2CCCCCC2)C1 to have a higher QED value.,O=C(NCn1cccn1)N1CCCC(C[NH+]2CCCCCC2)C1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC(C)(C)c1ccccc1NC1COC1
BondNum,"Please generate a molecule composed of 11 single bonds, 1 triple bond, 4 rotatable bonds, and 6 aromatic bonds.",CC1CCC(C#N)(CCSc2ccccc2)C1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 ester groups, 2 amide groups, 1 thioether group, and 1 thiol group.",CCCCCCCC(=O)Oc1ccc(CC(NC(=O)C(NC(=O)C([NH3+])CS)C(C)C)C(=O)OC)cc1
AddComponent,Modify the molecule Oc1[nH]c2ccc(F)cc2c1N=NC(=S)NCc1ccc(F)cc1 by adding a hydroxyl.,Oc1cc(CNC(=S)N=Nc2c(O)[nH]c3ccc(F)cc23)ccc1F
SubComponent,Substitute a COCCN(CC(C)C)C(=O)C1CC1(Cl)Cl in the molecule halo with a hydroxyl.,COCCN(CC(C)C)C(=O)C1CC1(O)Cl
DelComponent,Remove a amide from the molecule Cn1ncc(C(=O)N2CCC(N3CCOC3=O)CC2)c1[N+](=O)[O-].,Cn1ncC2CC(N3CCOC3=O)CCc12[N+](=O)[O-]
LogP,Please modify the molecule Cc1c(Cc2c(F)cccc2F)[nH]c(N(C)C(C)C)nc1=O to decrease its LogP value.,Cc1c(C(F)F)[nH]c(N(C)C(C)C)nc1=O
MR,Modify the molecule CCc1ccccc1NC(=O)C1[NH2+]CCCC1C to have a lower MR value.,CCNC(=O)C1[NH2+]CCCC1C
QED,Optimize the molecule CCCNc1cc(NCC(C)(C)CO)nc(CCC)n1 to have a higher QED value.,CCCc1cc(NCC(C)(C)CO)nc(CCC)n1
AtomNum,"The molecule is composed of 18 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CN(Cc1ccccc1)C(=O)NCC(=O)N1CCc2sccc2C1
BondNum,"Please generate a molecule composed of 7 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",CCc1nn(C)cc1Nc1nn(C)cc1N
FunctionalGroup,There is a molecule with and 8 hydroxyl groups.,OCCOCC(COCCO)OCC(COC(COCCO)COCCO)OC(COC(COO)COO)COC(COO)COO
AddComponent,Modify the molecule CCOC(=O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OP(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OP(c1ccccc1)c1ccccc1)C2 by adding a hydroxyl.,CCOC(=O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OP(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCCO)Cc1cc(C(C)(C)C)cc(c1OP(c1ccccc1)c1ccccc1)C2
SubComponent,Modify the molecule halo by substituting a CCOc1ccc(Cl)cc1C=NNC(=O)c1ccc(OC)c(OC)c1 with a nitrile.,CCOc1ccc(C#N)cc1C=NNC(=O)c1ccc(OC)c(OC)c1
DelComponent,Remove a COCCC1OC(=O)C(COC)C2C=CC34OC5C(OC(=O)c6cnco6)C(COC)C(O)C(C53)C24C(C)=CC1C from the molecule hydroxyl.,COCCC1OC(=O)C(COC)C2C=CC34OC5C(OC(=O)c6cnco6)C(COC)CC(C53)C24C(C)=CC1C
LogP,Please modify the molecule CC[Si](CC)(CC)C([N+]#N)=C(O)OC(COCc1ccccc1)c1ccccc1 to decrease its LogP value.,CC[Si](CC)(CC)C([N+]#N)=C(O)OC(COCc1ccccc1)c1ccc(O)cc1
MR,Modify the molecule CNCc1[nH+]c(C)cn1C(C)C to decrease its MR value.,CCc1[nH+]c(C)cn1C(C)C
QED,Modify the molecule COc1c(Cl)ccc2oncc12 to increase its QED value.,COc1c(O)ccc2oncc12
AtomNum,"Please generate a molecule with 15 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",Cc1ccc(C(=O)NCCNC(=O)c2ccoc2)cc1F
BondNum,"The molecule has 6 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",CC(C)Cc1nc(Br)c(Br)s1
FunctionalGroup,The molecule consists of and 1 amide group.,CCC(CC)C(C)[NH2+]CC(=O)NC(N)=O
AddComponent,Modify the molecule CC[NH+](CC)CCOCCNC(=O)C1CCCCC1 by adding a benzene ring.,CC[NH+](CC)CCOCCNC(=O)C1CCC(c2ccccc2)CC1
SubComponent,Substitute a hydroxyl in the molecule Cc1nsc(NC(=O)c2ccc(Br)c(O)c2)c1C(=O)[O-] with a halo.,Cc1nsc(NC(=O)c2ccc(Br)c(Br)c2)c1C(=O)[O-]
DelComponent,Please remove a amine from the molecule CCCNC(=O)NC(=O)CNc1cccc(NC(C)=O)c1C.,CCCNC(=O)NC(=O)Cc1cccc(NC(C)=O)c1C
LogP,Please modify the molecule [C-]#[N+]CC(=O)NCc1ccc(C)cc1 to increase its LogP value.,[C-]#[N+]Cc1ccc(C)cc1
MR,Please optimize the molecule Nc1ccc(Cl)c2c(O)coc12 to have a higher MR value.,Nc1ccc(S)c2c(O)coc12
QED,Modify the molecule O=C(NCc1nn[n-]n1)NC(C(=O)[O-])c1ccccc1 to have a lower QED value.,O=C([O-])CNC(=O)NCc1nn[n-]n1
AtomNum,"The molecule has 19 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",Cc1cccc(OCC(=O)N2CCNC(=O)C2c2ccc(F)cc2)c1
BondNum,"Please generate a molecule consisting 14 single bonds, 2 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(SC)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 3 ester groups, and 1 amide group.",C=CCOC(=O)c1ccc(NC(=O)C2CC(C(C(=O)[S-])C(=O)OCC=C)C[NH2+]2)c(C(=O)OCC=C)c1
AddComponent,Please add a benzene ring to the molecule COc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1.,COc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3ccc(-c4ccccc4)c([N+](=O)[O-])c3)cc2)n1
SubComponent,Please substitute a CC(=NNC(=O)c1ccccc1-n1cccc1)c1ccc(OCc2c(F)cccc2Cl)cc1 in the molecule halo with a aldehyde.,CC(=O)c1cccc(Cl)c1COc1ccc(C(C)=NNC(=O)c2ccccc2-n2cccc2)cc1
DelComponent,Please remove a benzene ring from the molecule CCS(=O)(=O)CCCC([NH3+])c1ccccc1.,CCS(=O)(=O)CCCC[NH3+]
LogP,Please modify the molecule CCC([NH3+])C(Oc1cccc(I)c1)c1ccc(Br)s1 to decrease its LogP value.,CCC([NH3+])C(Oc1cccc(I)c1)c1cc(O)c(Br)s1
MR,Modify the molecule Cc1ccc(C[NH2+]CC(O)Cn2cc([N+](=O)[O-])cn2)s1 to have a lower MR value.,Cc1ccc(C[NH2+]CCCn2cc([N+](=O)[O-])cn2)s1
QED,Optimize the molecule O=S(=O)(c1cccnc1Cl)N1CCCC1c1ccsc1 to have a higher QED value.,O=S(=O)(c1cccnc1)N1CCCC1c1ccsc1
AtomNum,"The molecule has 26 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",COc1ccc(-c2cccc3nc(Nc4cccc(C(=O)NCc5cccnc5)c4)nn23)cc1
BondNum,"The molecule is composed of 12 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCc1ccc(CN(C)C(C[NH3+])C(C)(C)C)cc1
FunctionalGroup,"The molecule is composed of 1 amide group, and 3 amine groups.",CCNC(NCC1(CC)CCCC1)=[NH+]Cc1cccnc1N1CCC(C(N)=O)CC1
AddComponent,Please add a carboxyl to the molecule COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)C=Cc3ccccc3OC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC.,COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)C(=Cc3ccccc3OC(=O)c3cccc(C)c3)C(=O)O)cc2)cc(OC)c1OC
SubComponent,Modify the molecule hydroxyl by substituting a CCc1nc(CC)n(CCC2CCCC2O)n1 with a aldehyde.,CC(=O)C1CCCC1CCn1nc(CC)nc1CC
DelComponent,Remove a COc1ccc(S(=O)(=O)N2CC(=O)N(C)c3ccccc32)c(OC)c1 from the molecule amide.,COc1ccc(S(=O)(=O)N2Cc3ccccc32)c(OC)c1
LogP,Modify the molecule O=C(Nc1ccc(OC(F)F)c2cccnc12)NC1CC[NH+]2CCCCC12 to decrease its LogP value.,N#CC(F)Oc1ccc(NC(=O)NC2CC[NH+]3CCCCC23)c2ncccc12
MR,Modify the molecule COc1ccc(C[NH2+]Cc2cccnc2)c(OCC(O)C[NH+]2CCCCCCC2)c1 to increase its MR value.,COc1ccc(C(CC=O)[NH2+]Cc2cccnc2)c(OCC(O)C[NH+]2CCCCCCC2)c1
QED,Optimize the molecule COc1ccc2c(c1)CC(C(=O)Nc1cccc3c1CCNC3=O)CO2 to have a higher QED value.,COc1ccc2c(c1)CC(c1cccc3c1CCNC3=O)O2
AtomNum,"The molecule has 18 carbon atoms, 3 oxygen atoms, and 1 fluorine atom.",COC(=O)C(C)c1ccc(-c2ccc(C(C)=O)cc2)c(F)c1
BondNum,"The molecule is composed of 14 single bonds, 5 rotatable bonds, and 50 aromatic bonds.",Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c(c4ccccc24)-c2ccc(-n4c5ccc(C)cc5c5cc(-c6ccccc6)ccc54)cc2C3(C)C)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",CCC1C[NH2+]CCN1c1ccccc1C(N)=O
AddComponent,Please add a benzene ring to the molecule COc1cccc(-n2c(C(C)[NH3+])cc3cccc(Cl)c3c2=O)c1.,COc1cccc(-n2c(C(C)([NH3+])c3ccccc3)cc3cccc(Cl)c3c2=O)c1
SubComponent,Modify the molecule nitrile by substituting a N#CC(=Cc1cccs1)C(=O)Nn1cnnc1 with a nitro.,ONC(=Cc1cccs1)C(=O)Nn1cnnc1
DelComponent,Remove a CC(C)CCNC(=O)c1ccc(-c2c[nH+]c3ccc(NC4CCC([NH3+])CC4)nn23)cc1 from the molecule amine.,CC(C)CCNC(=O)c1ccc(-c2c[nH+]c3ccc(C4CCC([NH3+])CC4)nn23)cc1
LogP,Modify the molecule Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CC[NH2+]CC5)cn4)c3C)cc(F)c2[nH]1 to have a lower LogP value.,Cc1cc2c(F)c(Oc3ncnc(-c4ccc(N5CC[NH2+]CC5)cn4)c3C)cc(F)c2[nH]1
MR,Modify the molecule Cc1oc(-c2ccc3ccccc3c2)nc1COC1CCCC(OCC(OC(c2ccccc2)C(F)(F)F)C(=O)[O-])C1 to decrease its MR value.,Cc1oc(-c2ccc3ccccc3c2)nc1COC1CCCC(OCC(OCC(F)(F)F)C(=O)[O-])C1
QED,Please modify the molecule CCN(c1cccc(F)c1)C(C)c1ccc(O)cc1 to increase its QED value.,CCN(c1cccc(C#N)c1)C(C)c1ccc(O)cc1
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",C[NH+]=C(NCc1cnn(-c2ccccc2)c1)NCC(c1ccccc1OC)[NH+]1CCCC1
BondNum,"The molecule contains 10 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",C[NH2+]CCC(c1ccc(O)cc1)C1CC1
FunctionalGroup,"The molecule has 3 benzene ring groups, 8 halo groups, and 1 sulfone group.",CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(F)(F)F)[nH+]c3C(F)F)c(-n3nncc3-c3ccc(OC(F)(F)F)cc3)c2)c1
AddComponent,Add a amine to the molecule COC(=O)CCCc1ccc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(OC)cc2)cc1.,COC(=O)CCCc1ccc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(OC)cc2)c(N)c1
SubComponent,Substitute a Nc1ncc(-c2ccc(Br)cc2)c(NC2CC2)n1 in the molecule halo with a nitrile.,N#Cc1ccc(-c2cnc(N)nc2NC2CC2)cc1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(S(=O)(=O)CC(C)NCC2(C)CCCO2)cc1.,CC(CS(C)(=O)=O)NCC1(C)CCCO1
LogP,Modify the molecule O=C(NC1(c2ccc(F)cc2)CCOCC1)c1ccoc1Br to decrease its LogP value.,O=C(NC1(F)CCOCC1)c1ccoc1Br
MR,Modify the molecule CCCCCCCCCCCCCCCC(N)([NH3+])OC(=O)C[NH3+] to increase its MR value.,CCCCCCCCCCCC(CCCC(N)([NH3+])OC(=O)C[NH3+])c1ccccc1
QED,Modify the molecule CCOC(=O)c1cnc(CCC=O)s1 to increase its QED value.,CCOC(=O)c1cnc(C)s1
AtomNum,"The molecule is composed of 14 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",CCCNC(=O)NC(=O)CSc1nnc2sc3ccccc3n12
BondNum,"Please generate a molecule composed of 10 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCSc1ccc(C(O)CC(C)CC)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 1 sulfide group, and 2 sulfone groups.",CCC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(S(C)(=O)=O)s2)CC1
AddComponent,Add a amine to the molecule COc1ccc(CNC(=O)C[NH+]2CCCCC2)cc1OC.,COc1ccc(CNC(=O)C[NH+]2CCCCC2)c(N)c1OC
SubComponent,Modify the molecule halo by substituting a Nc1cncc(-c2nc(Cc3cccc(Cl)c3)no2)c1 with a hydroxyl.,Nc1cncc(-c2nc(Cc3cccc(O)c3)no2)c1
DelComponent,Please remove a hydroxyl from the molecule Oc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2.,Oc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1)C2
LogP,Modify the molecule C=CC(=N)CCCCCCCCCCc1ccc(C)cc1F to have a lower LogP value.,C=CC(=N)CCCCCCCCCCc1ccc(C)cc1
MR,Optimize the molecule CC(Cc1ccc(F)cc1)[NH+]1CCCN2CCCC2C1 to have a higher MR value.,CC(Cc1ccc(S)cc1)[NH+]1CCCN2CCCC2C1
QED,Optimize the molecule CC(C)(C)c1nc(-c2ccc(C(C)(C)c3ccc(-c4nc(C(C)(C)C)c5ccccc5n4)cc3)cc2)nc2ccccc12 to have a lower QED value.,CC(C)(C)c1nc(-c2ccc(C(C)(C)c3ccc(-c4nc(C(C)(C)C)c5ccccc5n4)cc3N)cc2)nc2ccccc12
AtomNum,"The molecule is composed of 21 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(CNC(=O)CNc2cccc(C(=O)N3CCOCC3)c2)cc1
BondNum,"The molecule consists of 24 single bonds, and 5 rotatable bonds.",OCC1OC(OC2(CCl)OC(CCl)C(I)C2O)C(O)C(O)C1Cl
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 ester group, and 1 amide group.",CCOC(=O)CCNC(=O)c1ccc(O)c(C)c1
AddComponent,Please add a benzene ring to the molecule O=C(NCC1CC=CCC1)c1cccc(F)c1F.,O=C(NCC1CC=C(c2ccccc2)CC1)c1cccc(F)c1F
SubComponent,Substitute a halo in the molecule CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)[O-] with a aldehyde.,CC(=O)c1cc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1OCC(=O)[O-]
DelComponent,Remove a amide from the molecule O=C(NCC(O)c1ccc(F)cc1)C1CSC[NH2+]1.,OC(c1ccc(F)cc1)C1CSC[NH2+]1
LogP,Modify the molecule N#Cc1cn(-c2ncc3c(n2)CC[NH2+]C3)c2ccccc12 to increase its LogP value.,c1ccc2c(c1)ccn2-c1ncc2c(n1)CC[NH2+]C2
MR,Please optimize the molecule CCCCC(=O)Nc1ccc(NC)cc1 to have a lower MR value.,CCCCC(=O)NNC
QED,Please modify the molecule Cc1cc(OCC(=O)NNC(=S)NC(=O)Cc2ccccc2)ccc1Cl to increase its QED value.,Cc1cccc(OCC(=O)NNC(=S)NC(=O)Cc2ccccc2)c1
AtomNum,"The molecule contains 24 carbon atoms, 7 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",O=C1C(=O)N(c2nc3ccc(C(=O)[O-])cc3s2)C(c2ccccn2)C1=C([O-])c1cccc([N+](=O)[O-])c1
BondNum,"The molecule contains 12 single bonds, 3 double bonds, and 2 rotatable bonds.",CC=CC=CC(=O)N1CC(C)CC(C)C1
FunctionalGroup,"The molecule has 1 benzene ring group, and 2 amide groups.",CC(C)(C)c1cccc(C[NH+](CC(N)=O)CC(N)=O)c1
AddComponent,Please add a benzene ring to the molecule CCCCOc1ncccc1B(O)O.,CCC(COc1ncccc1B(O)O)c1ccccc1
SubComponent,Substitute a nitrile in the molecule Cc1nn(C)c(N(C)CCOC(C)C)c1C#N with a nitro.,Cc1nn(C)c(N(C)CCOC(C)C)c1NO
DelComponent,Modify the molecule halo by removing a COc1cc(NCc2ccc(F)cc2)ccc1Cl.,COc1cccc(NCc2ccc(F)cc2)c1
LogP,Modify the molecule CCCc1nc(=O)c2c([nH]1)C[NH+](Cc1cccc(OC)c1)CC2 to have a lower LogP value.,CCCc1nc(=O)c2c([nH]1)C[NH+](COC)CC2
MR,Please optimize the molecule COC(=O)CCCC([NH3+])c1cc(Cl)sc1Cl to have a lower MR value.,COC(=O)CCCC([NH3+])c1cc(O)sc1Cl
QED,Optimize the molecule CC(C)(CC[NH3+])C(=O)Nc1cccc(Br)c1 to have a lower QED value.,CC(C)(CC[NH3+])C(=O)Nc1cccc(C#N)c1
AtomNum,"There is a molecule with 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",COC(=O)c1cc(C)c(C)c(CCN2CC[NH2+]CC2)c1
BondNum,"Please generate a molecule consisting 4 single bonds, 3 rotatable bonds, and 16 aromatic bonds.",CC(Nc1ccc2ncsc2c1)c1ccccn1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, 1 amine group, 1 halo group, and 1 sulfone group.",CC(C)CNc1ncc(S(=O)(=O)N(C)CC(C)(C)O)cc1Cl
AddComponent,Add a benzene ring to the molecule CC[NH+]1CCCCC1C(=O)NCC(O)CC(C)C.,CC[NH+]1CCCCC1C(=O)NC(c1ccccc1)C(O)CC(C)C
SubComponent,Please substitute a halo in the molecule COc1cccc(-c2ccc3ccccc3c2Oc2ccc(NC(=O)CBr)cc2)c1 with a hydroxyl.,COc1cccc(-c2ccc3ccccc3c2Oc2ccc(NC(=O)CO)cc2)c1
DelComponent,Remove a benzene ring from the molecule COC=C1CCC(c2ccc(OC)c(C)c2)CC1.,COC=C1CCC(C)(OC)CC1
LogP,Modify the molecule Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C(C)C(=O)NC1CCCC1 to have a lower LogP value.,Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C(C)C(=O)NC1(O)CCCC1
MR,Optimize the molecule [C-]#[N+]C(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)cc1 to have a lower MR value.,[C-]#[N+]C(c1ccc2c(c1)OCCO2)S(C)(=O)=O
QED,Please optimize the molecule COc1ccc(NC(=O)N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc1 to have a lower QED value.,COc1ccc(NC(=O)N2CCC(NC(=O)CNC(=O)c3ccc(N)cc3)CC2)cc1
AtomNum,"The molecule has 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",CC[NH+](Cc1cc(Br)cc(C)c1O)C(C)COC
BondNum,"Please generate a molecule consisting 11 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCC[NH2+]CCNc1ncccc1C(F)(F)F
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 amine group, 1 nitro group, and 1 sulfide group.",Nc1ccccc1-c1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cs1
AddComponent,Modify the molecule [NH3+]C1CN(c2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7cccc(F)c7)nccc6[nH]5)c4c3)n2)C1 by adding a benzene ring.,[NH3+]C1CN(c2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7cc(F)cc(-c8ccccc8)c7)nccc6[nH]5)c4c3)n2)C1
SubComponent,Please substitute a hydroxyl in the molecule CCc1c([S-])sc2cc(CO)ccc12 with a halo.,CCc1c([S-])sc2cc(CCl)ccc12
DelComponent,Please remove a halo from the molecule O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(OC(F)F)cc1.,O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(OCF)cc1
LogP,Modify the molecule COc1ccc(OC2CCN(c3nc4c(c(C(F)F)c3C)C(=O)NC4)CC2)cn1 to have a higher LogP value.,COc1ccc(OC2CCN(c3nc4c(c(C(F)(F)c5ccccc5)c3C)C(=O)NC4)CC2)cn1
MR,Please modify the molecule C=CCOC12Oc3ccc(Oc4cccc(C=O)c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOCC)CC1N(Cc1cccc4ccccc14)C(=O)OCC)C32 to decrease its MR value.,C=CCOC12Oc3ccc(Oc4cccc(C=O)c4)cc3C3C(CCCCO)C(CCCC)C=C(C(=NOCC)CC1N(Cc1cccc4ccccc14)C(=O)OCC)C32
QED,Modify the molecule COc1ccccc1C1=NCc2ncc(Br)cc21 to decrease its QED value.,COc1c(C2=NCc3ncc(Br)cc32)cccc1-c1ccccc1
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCCCCCNC(=O)c1cnccn1
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",O=[N+]([O-])c1ccc(NCc2ccccc2OC(F)F)nc1
FunctionalGroup,There is a molecule composed of and 1 nitrile group.,CCCC1CCC(C#N)(C2OCC(CCC)CO2)CC1
AddComponent,Modify the molecule COCCN(CC(=O)[O-])C(=O)NC1(C)CCCC1 by adding a carboxyl.,COCCN(CC(=O)[O-])C(=O)NC1(CC(=O)O)CCCC1
SubComponent,Please substitute a halo in the molecule COc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)NC3CCCC3)ccc2C)CC1 with a thiol.,COc1ccc(C(=O)Nc2ccccc2S)cc1NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)NC3CCCC3)ccc2C)CC1
DelComponent,Remove a halo from the molecule Cc1c(C([NH3+])c2cscc2Br)cnn1C.,Cc1c(C([NH3+])c2ccsc2)cnn1C
LogP,Modify the molecule CC(C)CN1CC(C(=O)N2CCNC(=O)C2C)CC1=O to have a higher LogP value.,CC(C)CCCC(=O)N1CCNC(=O)C1C
MR,Please modify the molecule CC(=O)N1CCN(c2nc(N)c3c(n2)CCCC3)CC1 to decrease its MR value.,Nc1nc(N2CCCC2)nc2c1CCCC2
QED,Please modify the molecule CN1C=Cc2c[nH]c3cccc(c23)C1=O to increase its QED value.,CN1C=Cc2c(-c3ccccc3)[nH]c3cccc(c23)C1=O
AtomNum,"The molecule consists of 16 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCNS(=O)(=O)c1ccc(C(=O)OC(C)C(=O)Nc2cc(C)on2)cc1
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CCCOC(=O)c1cc(-c2cc(C)cc(Cl)c2OCC)nn1C
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,Cc1nc2[nH]cnc(=O)c2n1-c1ccccc1
AddComponent,Add a benzene ring to the molecule C[NH2+]CC1CCC[NH+](Cc2ccc3nc(C)sc3c2)C1.,C[NH2+]CC1(c2ccccc2)CCC[NH+](Cc2ccc3nc(C)sc3c2)C1
SubComponent,Please substitute a halo in the molecule CC(=O)NCCC1CCCCN1C(=O)NCc1ccccc1F with a thiol.,CC(=O)NCCC1CCCCN1C(=O)NCc1ccccc1S
DelComponent,Please remove a amide from the molecule CC(C)(C)CC(C)(C)NC(=O)Cn1nc2n(c1=O)CCCCC2.,CC(C)(C)CC(C)(C)n1nc2n(c1=O)CCCCC2
LogP,Modify the molecule CC(C)(C)N(C(=O)[O-])C1=[NH+]C2(c3cc(N)cs3)CCOCC2CS1 to increase its LogP value.,CC(C)(C)N(C(=O)[O-])C1SCC2COCCC21c1cc(N)cs1
MR,Please optimize the molecule O=C(NCC1CCC(F)(F)C1)c1ocnc1C1CC1 to have a lower MR value.,O=C(NCC1CCC(F)C1)c1ocnc1C1CC1
QED,Please modify the molecule CCN(C)c1cnc(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)cc2C)c1 to increase its QED value.,CCN(C)c1cnc(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)C#N)cc2C)c1
AtomNum,"Please generate a molecule composed of 25 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O
BondNum,"The molecule has 7 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",COC(OC)c1ccnc(-c2ccccc2C)n1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, 1 halo group, 1 sulfide group, and 1 sulfone group.",O=S(=O)(c1ccccc1)c1nc(NCc2cccnc2)sc1Cl
AddComponent,Please add a benzene ring to the molecule C[NH2+]Cc1ccc(N2CCC(C(N)=O)C2)cc1C(F)(F)F.,C[NH2+]Cc1ccc(N2CC(C(N)=O)C(c3ccccc3)C2)cc1C(F)(F)F
SubComponent,Substitute a halo in the molecule CCOc1ccc(Cl)c(N=NC(C(C)=O)C(=O)Nc2c(OC)ccc(Cl)c2OC)c1OCC with a aldehyde.,CC(=O)c1ccc(OCC)c(OCC)c1N=NC(C(C)=O)C(=O)Nc1c(OC)ccc(Cl)c1OC
DelComponent,Remove a halo from the molecule O=C(c1ccnc(F)c1F)N1CCN(C(=O)C2CC2)CC1.,O=C(c1ccnc(F)c1)N1CCN(C(=O)C2CC2)CC1
LogP,Modify the molecule CC(C)n1cnc2c(NCCOc3ccccc3)nc(Nc3ccccc3)nc21 to decrease its LogP value.,CC(C)n1cnc2c(NCCOc3ccccc3)nc(N)nc21
MR,Optimize the molecule CC1=C2C3=C4C(O)(CC5(C)C36OC(=O)C3=C6CC6C(O)(COC(=O)C=CCOC(=O)CCC(=O)OC3)C3CC3C65C)C3CC3C4(C)C(O)C2(O)OC1=O to have a higher MR value.,CC1=C2C3=C4C(Cl)(CC5(C)C36OC(=O)C3=C6CC6C(O)(COC(=O)C=CCOC(=O)CCC(=O)OC3)C3CC3C65C)C3CC3C4(C)C(O)C2(O)OC1=O
QED,Optimize the molecule Cc1ccc(NC(=O)COc2ccc(Br)cc2Br)c(F)c1 to have a higher QED value.,Cc1ccc(NC(=O)COc2ccc(O)cc2Br)c(F)c1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",Cc1cnc(NC2CC(=O)N(C(C)C)C2)nc1NC1CC(=O)N(C(C)C)C1
BondNum,"The molecule consists of 13 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]Cc1cc(Cl)ccc1OCC1CCOC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",CC(C)OC(=O)N1CCC(ON=C2CCC(c3ccc(NC(=O)N(C)CCO)c(F)c3)CC2)CC1
AddComponent,Please add a benzene ring to the molecule Cc1ncc(-c2ccc(=O)n(CC3(C)CC3)c2)nc1-c1cc(-c2cccc(C(C)[NH3+])c2)no1.,Cc1ncc(-c2ccc(=O)n(CC3(C)CC3)c2)nc1-c1cc(-c2ccc(-c3ccccc3)c(C(C)[NH3+])c2)no1
SubComponent,Please substitute a halo in the molecule Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1N1C(=O)c2ccncc2C1=O with a nitro.,Cc1cc(C(NO)(C(F)(F)F)C(F)(F)F)ccc1N1C(=O)c2ccncc2C1=O
DelComponent,Modify the molecule amide by removing a Nc1ncc(-c2ccc(Cl)cc2)c(C2CCCCN2C(=O)Cc2c[nH]c3ccccc23)n1.,Nc1ncc(-c2ccc(Cl)cc2)c(C2(c3c[nH]c4ccccc34)CCCC2)n1
LogP,Modify the molecule CCCN(CCCC(C)CC)c1cccc(-c2cc3ncc(NC(=O)c4c(F)ccc(NS(=O)(=O)CCC)c4F)cn3n2)c1 to increase its LogP value.,CCCN(CCCC(C)CC)c1cccc(-c2cc3ncc(NC(=O)c4c(S)ccc(NS(=O)(=O)CCC)c4F)cn3n2)c1
MR,Optimize the molecule CC1CCCCC1CNS(=O)(=O)CC#N to have a lower MR value.,CC1CCCCC1CNS(C)(=O)=O
QED,Optimize the molecule Cc1ccc2c(c1C)NCC(C[NH+](C)C)C2 to have a lower QED value.,Cc1ccc2c(c1C)CC(C[NH+](C)C)C2
AtomNum,"The molecule has 15 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",NC(=S)c1c(F)cccc1OC1CCOC2(CCOC2)C1
BondNum,"The molecule has 8 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",[NH3+]CC(O)CS(=O)(=O)NCc1ccccc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 sulfone group.",[NH3+]C(CCc1ccccc1)CS(=O)(=O)[O-]
AddComponent,Modify the molecule COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)NCC4CCS(=O)(=O)C4)cc3[nH]2)c1 by adding a hydroxyl.,COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)NCC4CCS(=O)(=O)C4O)cc3[nH]2)c1
SubComponent,Substitute a halo in the molecule Clc1ccc(Cl)c(C(Br)C2CCCC2)c1 with a hydroxyl.,Oc1ccc(Cl)c(C(Br)C2CCCC2)c1
DelComponent,Please remove a halo from the molecule CC[NH2+]C(c1cc2c(cc1Br)OCCCO2)C(C)C.,CC[NH2+]C(c1ccc2c(c1)OCCCO2)C(C)C
LogP,Please modify the molecule CCOc1ccc(COc2ccc(C=CCC(C)[NH3+])cc2)cc1 to decrease its LogP value.,CCOc1ccc(COC=CCC(C)[NH3+])cc1
MR,Modify the molecule Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C(=O)NC(C)(C)C)c1 to decrease its MR value.,Cc1cccc(CSCC(=O)N(Cc2ccc(O)c(Cl)c2)C(C)C(=O)NC(C)(C)C)c1
QED,Modify the molecule CCCCCOc1ccc(C2C(=C([O-])c3cccc(OCC(C)C)c3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1 to have a higher QED value.,CCCCCOc1ccc(C2C(=C([O-])c3cccc(OCC(C)C)c3)C(=O)C(=O)N2c2ccc(C(=O)[OH])cc2)cc1
AtomNum,"The molecule is composed of 19 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC(=O)c1ccc2c(c1)c(C(=O)C(=O)[O-])cn2Cc1ccccc1
BondNum,"There is a molecule with 10 single bonds, 1 double bond, 6 rotatable bonds, and 5 aromatic bonds.",CCC(C)[NH2+]CC(=O)c1c(Br)cnn1CC
FunctionalGroup,"The molecule is composed of 1 amide group, and 3 halo groups.",[NH3+]Cc1ccnc(NC(=O)CC(F)(F)F)c1
AddComponent,Please add a benzene ring to the molecule C1C[NH2+]C2C(C1)CCC1CC12.,c1ccc(C23[NH2+]CCCC2CCC2CC23)cc1
SubComponent,Substitute a halo in the molecule Cc1c(Cl)ccc2c(C(=O)OC(CCCl)C(=O)c3ccc(F)cc3)cc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)nc12 with a carboxyl.,Cc1c(C(=O)[OH])ccc2c(C(=O)OC(CCCl)C(=O)c3ccc(F)cc3)cc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)nc12
DelComponent,Please remove a amide from the molecule CCOC(=O)C1CCCN(C(=O)c2scnc2C(F)(F)F)C1.,CCOC(=O)C1CCCc2(C(F)(F)F)ncs-2C1
LogP,Optimize the molecule Cn1ccnc1C(O)(CC(=O)N1CC=C(c2ccccc2)CC1)C(F)(F)F to have a lower LogP value.,Cn1ccnc1C(O)(CC(=O)N1CC=CCC1)C(F)(F)F
MR,Optimize the molecule Cc1ccc2oc(-c3cc(N)ccc3Br)nc2c1 to have a lower MR value.,Cc1ccc2oc(-c3cc(N)ccc3O)nc2c1
QED,Modify the molecule CN1C(=O)[NH+](C)c2ccc(SC#N)c3c(SC#N)ccc1c23 to decrease its QED value.,CN1C(=O)[NH+](C)c2ccc(SNO)c3c(SC#N)ccc1c23
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCOC(=O)C1=C(C)NC(CC)=C(C2=NC(C)(C)CO2)C1c1c[nH]c2ccccc12
BondNum,"There is a molecule consisting of 17 single bonds, 2 double bonds, and 2 rotatable bonds.",CCCC1C(=O)NCCN1C(=O)N1CCSCC1
FunctionalGroup,"The molecule is composed of 2 thioether groups, and 1 sulfide group.",CSCCCC[NH+]1C2CCC1C(C(=O)[O-])C2
AddComponent,Please add a hydroxyl to the molecule CC(C)=CC[NH+]1CCC([NH2+]C(C)c2cccc(Cl)c2)CC1.,CC(C)=CC[NH+]1CCC([NH2+]C(C)c2cccc(Cl)c2)CC1O
SubComponent,Please substitute a halo in the molecule COc1ccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c(OC)c1 with a hydroxyl.,COc1ccc(NC(=O)c2ccc(O)c(N(C)S(C)(=O)=O)c2)c(OC)c1
DelComponent,Modify the molecule amide by removing a Cc1ccccc1NC(=O)c1cccc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)NC(C)C)c3C)CC2)c1.,Cc1ccccc1NC(=O)c1cccc(NC(=O)CC2CC[NH+](CC(=O)Nc3cccc(C(=O)NC(C)C)c3C)CC2)c1
LogP,Please optimize the molecule CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)cc1C(C)C to have a lower LogP value.,CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OCC)c(OCc3ccc(C(=O)[O-])cc3)c(C(=O)[OH])c2)cc1C(C)C
MR,Please modify the molecule Cc1ccc(C(=O)Cn2ncc3cc(C#N)c(C#N)cc32)cc1C to increase its MR value.,CC(=O)c1cc2cnn(CC(=O)c3ccc(C)c(C)c3)c2cc1C#N
QED,Modify the molecule CCO[Si](CC(C)CCCCCOC(C)=S)(OCC)OCC to have a lower QED value.,CCO[Si](CC(C)CCCCC(OC(C)=S)c1ccccc1)(OCC)OCC
AtomNum,"The molecule consists of 14 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 2 sulfur atoms.",Cc1nc(C)nc(NC(=O)NS(=O)(=O)c2sccc2-n2cccc2)n1
BondNum,"The molecule consists of 3 single bonds, 1 rotatable bond, and 16 aromatic bonds.",Clc1cc2cc(-c3ccccc3)[nH]c2cc1Cl
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 nitro group.",COc1ccc(C[NH+]2CCC(c3c[nH]c4ccccc34)CC2)cc1[N+](=O)[O-]
AddComponent,Please add a benzene ring to the molecule COc1ncc(Cl)c(NCC(C)[NH3+])n1.,COc1ncc(Cl)c(NCC([NH3+])Cc2ccccc2)n1
SubComponent,Substitute a C[NH2+]C(CC[NH+]1CCC(CCO)C1)c1ccccc1 in the molecule hydroxyl with a carboxyl.,C[NH2+]C(CC[NH+]1CCC(CCC(=O)[OH])C1)c1ccccc1
DelComponent,Please remove a benzene ring from the molecule COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3ccc(Br)cc3)cc2)c1.,CONS(=O)(=O)c1ccc(OCC(=O)NC(C)c2ccc(Br)cc2)cc1
LogP,Optimize the molecule CCCC(C)CNc1cc(F)c(F)cc1[N+](=O)[O-] to have a higher LogP value.,CCCC(C)Cc1cc(F)c(F)cc1[N+](=O)[O-]
MR,Modify the molecule CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(SCCC(C)C)nc(=O)c32)cc1OC to increase its MR value.,CCOc1ccc(C2(O)C3=C(CC(C)(C)CC3=O)Nc3[nH]c(SCCC(C)C)nc(=O)c32)cc1OC
QED,Please modify the molecule Cc1ccc(C(=O)NC(C)(C)C#N)c(C)n1 to decrease its QED value.,Cc1ccc(C(=O)NC(C)(C)NO)c(C)n1
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CS(=O)(=O)NC1CC2CC(F)(F)CCC2C1C=Cc1ccc(-c2cccc(F)c2)cn1
BondNum,"Please generate a molecule consisting 13 single bonds, 4 double bonds, 11 rotatable bonds, and 18 aromatic bonds.",C=CCN(CC=C)c1c(C=O)cc(OCc2ccccc2)c(C(=O)Oc2ccccc2)c1C
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 1 halo group.",CN(Cc1ncc(C2CC2)o1)C(=O)C1CC1c1ccc(Br)cc1
AddComponent,Modify the molecule O=C(CCCN1C(=O)COc2ccccc21)NCCC(c1ccccc1)c1ccccc1 by adding a nitrile.,N#CC(CCNC(=O)CCCN1C(=O)COc2ccccc21)(c1ccccc1)c1ccccc1
SubComponent,Substitute a halo in the molecule Fc1cc(Br)cc(F)c1NCc1cccc(Cl)c1 with a nitrile.,N#Cc1cc(Br)cc(F)c1NCc1cccc(Cl)c1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(S(=O)(=O)N2C(COCc3ccccc3)C2(C)C(O)C#Cc2ccccc2)cc1.,COCC1N(S(=O)(=O)c2ccc(C)cc2)C1(C)C(O)C#Cc1ccccc1
LogP,Please optimize the molecule O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccc(Cl)s1 to have a higher LogP value.,O=C(Nc1ccc2c(c1)C(=O)Nc1cccc(-c3ccccc3)c1O2)c1ccc(Cl)s1
MR,Modify the molecule CCC(C)(O)CNC(=O)NCc1ccccc1 to have a higher MR value.,CCC(C)(O)CNC(=O)NCc1ccccc1N
QED,Please optimize the molecule S=C(Nc1ccc2c(c1)OCO2)Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1Br to have a lower QED value.,ONc1ccc(Cn2cc(Br)c(NC(=S)Nc3ccc4c(c3)OCO4)n2)cc1Cl
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCCOc1ccc(C([NH2+]CC)C2CC3CCC2O3)cc1
BondNum,"Please generate a molecule with 4 single bonds, 1 double bond, 1 rotatable bond, and 11 aromatic bonds.",O=C([O-])c1nc(Cl)c2cc(Br)ccc2n1
FunctionalGroup,"There is a molecule with 2 amine groups, 2 thioether groups, and 2 sulfide groups.",CCNC(=NCC(c1cccs1)[NH+]1CCCC1)NCC1CCCS1
AddComponent,Modify the molecule NC(=[NH+]O)c1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1 by adding a hydroxyl.,NC(=[NH+]O)c1ccc(O)c(NC(=O)c2ccc(O)c(Cl)c2)c1
SubComponent,Substitute a COC(=O)c1n[nH]c(C(C)(C)C)c1Cl in the molecule halo with a carboxyl.,COC(=O)c1n[nH]c(C(C)(C)C)c1C(=O)[OH]
DelComponent,Modify the molecule amine by removing a Cc1nnc2n1NC(c1ccccc1)C(C(=O)Nc1ccc(Cl)cc1)S2.,Cc1nnc2n1C(c1ccccc1)C(C(=O)Nc1ccc(Cl)cc1)S2
LogP,Please optimize the molecule COC(=O)c1ccc(CN(C)C(=O)c2nccnc2N)cc1 to have a lower LogP value.,COC(=O)c1ccc(CN(C)C(=O)c2nccnc2N)cc1C(=O)O
MR,Modify the molecule CN(CCCNC(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1 to have a higher MR value.,CN(CCCNC(=O)c1ccc(C(F)(F)C#N)nc1)c1ccccc1
QED,Please optimize the molecule COCc1ccc(C(C)(C)CO)cc1Br to have a lower QED value.,COCc1ccc(C(C)(C)CO)c(CC=O)c1Br
AtomNum,"The molecule is composed of 18 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(n2cncn2)CC1
BondNum,"The molecule has 16 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",COC1OC(C(=O)NNC(=S)NCc2ccccc2)C(C)C1C
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",COC(OC)C(C)NC(=O)C([NH3+])c1ccccc1
AddComponent,Please add a hydroxyl to the molecule Cc1cc(C(=O)Nc2ccccc2F)nc(Nc2cccc(Cl)c2)n1.,O=C(Nc1ccccc1F)c1cc(CO)nc(Nc2cccc(Cl)c2)n1
SubComponent,Please substitute a halo in the molecule O=C(Cc1ccc(F)cc1)N1CCCCC1c1cc(=O)n2[nH]ccc2n1 with a carboxyl.,O=C([OH])c1ccc(CC(=O)N2CCCCC2c2cc(=O)n3[nH]ccc3n2)cc1
DelComponent,Please remove a COCC1CC(=O)NC2CC(NC(=O)c3ccccc3Oc3ccccc3)CCC12 from the molecule benzene ring.,COCC1CC(=O)NC2CC(NC(=O)Oc3ccccc3)CCC12
LogP,Please modify the molecule COc1ccc(C(O)=C2C(=[NH2+])N(c3cc([N+](=O)[O-])ccc3C)C3=C(C(=O)CCC3)C2c2ccc(Cl)cc2Cl)cc1 to increase its LogP value.,CC(=O)C(=C1C(=[NH2+])N(c2cc([N+](=O)[O-])ccc2C)C2=C(C(=O)CCC2)C1c1ccc(Cl)cc1Cl)c1ccc(OC)cc1
MR,Modify the molecule Cc1onc(-c2ccccc2Cl)c1C(=O)NCCCCCCCC(=O)[O-] to have a lower MR value.,Cc1onc(-c2ccccc2O)c1C(=O)NCCCCCCCC(=O)[O-]
QED,Please modify the molecule COc1ccc2nnn(CCC(C(=O)[O-])C(O)CCc3ccc(-c4ccc(F)cc4)cc3)c(=O)c2c1 to decrease its QED value.,COc1ccc2nnn(CCC(CCCc3ccc(-c4ccc(F)cc4)cc3)C(=O)[O-])c(=O)c2c1
AtomNum,"There is a molecule with 9 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCCOCc1nnc(CO)n1CC
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1C[NH+](C)C(C(=O)NC(N)=O)c1ccccc1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 3 halo groups, and 1 sulfide group.",COc1ccc(-c2nc(C(F)(F)F)c(C(=O)NC(C)c3ccc(OC)c(OC)c3)s2)cc1OC
AddComponent,Please add a benzene ring to the molecule COc1ccc(CC(=O)NCCn2nc(C)ccc2=O)cc1OC.,COc1cc(CC(=O)NCCn2nc(C)ccc2=O)ccc1OCc1ccccc1
SubComponent,Modify the molecule halo by substituting a COc1cc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)cc(Cl)c1OC with a hydroxyl.,COc1cc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2O)cc(Cl)c1OC
DelComponent,Modify the molecule halo by removing a C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CCNC(=O)C2)CC1.,C[NH+]1CCC(Cc2ccccc2)(C(=O)N2CCNC(=O)C2)CC1
LogP,Please modify the molecule C1CCC2C(C1)SC1CC3SC4CCCCC4[NH+]4C5CCC(CC5)C5CCC(CC5)[NH+]5C6CCCCC6SC6CC7SC8CCCCC8[NH+](C8CCC(CC8)C8CCC(CC8)[NH+]2C1CC34)C7CC65 to decrease its LogP value.,O=CCC12CCC(CC1)C1CCC(CC1)[NH+]1C3CCCCC3SC3CC4SC5CCCCC5[NH+](C5CCC(CC5)C5CCC(CC5)[NH+]5C6CCCCC6SC6CC7SC8CCCCC8[NH+]2C7CC65)C4CC31
MR,Please optimize the molecule CC1(C)CCCC(c2ccccc2N2CC[NH+](C3CCCC3)CC2)C1 to have a higher MR value.,CC1(C)CCCC(c2cc(C(=O)O)ccc2N2CC[NH+](C3CCCC3)CC2)C1
QED,Please modify the molecule COc1cc2oc(-c3ccccc3)c(OC(=O)[O-])c(=O)c2c(OC)c1OC to increase its QED value.,COc1cc2occ(OC(=O)[O-])c(=O)c2c(OC)c1OC
AtomNum,"There is a molecule composed of 31 carbon atoms, 2 nitrogen atoms, and 1 chlorine atom.",CNC(C(C)=CC=C1CCCC(C=CC(C)=[N+](C)c2ccccc2C)=C1Cl)c1ccccc1C
BondNum,"There is a molecule with 25 single bonds, 12 rotatable bonds, and 24 aromatic bonds.",CCOc1ccc(Cc2cc(C3CC(OCc4ccccc4)CC(COCc4ccccc4)O3)c3c(c2Cl)C(C)CO3)cc1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 2 amide groups, and 1 halo group.",Cc1cc(C)c(NC(=O)CNC(=O)CCCOc2ccc(F)cc2)c(C)c1
AddComponent,Add a hydroxyl to the molecule O=C(CNC(=O)OCc1ccccc1)NCC(CCC[NH+]1CCC(Oc2ccccc2)CC1)(c1ccccc1)c1ccccc1.,O=C(CNC(=O)OCc1ccccc1)NCC(CCC[NH+]1CCC(Oc2ccccc2)CC1)(c1ccccc1)c1ccc(O)cc1
SubComponent,Modify the molecule halo by substituting a CN(C)c1cccc(C(C)(C)C)c1P(Cl)Cl with a aldehyde.,CC(=O)P(Cl)c1c(N(C)C)cccc1C(C)(C)C
DelComponent,Modify the molecule hydroxyl by removing a CCCCCCCCCCOC(=O)CCCCCCC(CCCC(O)CCCCC)C(C)=O.,CCCCCCCCCCOC(=O)CCCCCCC(CCCCCCCCC)C(C)=O
LogP,Please modify the molecule Cc1c(Br)cccc1C(O)C1CC(C)CC(C)C1 to increase its LogP value.,Cc1c(Br)cccc1C(O)C1(c2ccccc2)CC(C)CC(C)C1
MR,Modify the molecule O=c1cc(-c2ccc3ccccc3c2O)cn[nH]1 to have a higher MR value.,O=c1cc(-c2ccc3ccccc3c2O)c(-c2ccccc2)n[nH]1
QED,Please modify the molecule CC(NC(=O)Oc1ccc(CCO[N+](=O)[O-])cc1)C(=O)[O-] to decrease its QED value.,O=C(O)CC(NC(=O)Oc1ccc(CCO[N+](=O)[O-])cc1)C(=O)[O-]
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 2 sulfur atoms, 1 fluorine atom, and 1 bromine atom.",Cc1cc(S(=O)(=O)NC(C)c2cccc(F)c2)sc1Br
BondNum,"The molecule consists of 4 single bonds, 1 double bond, 1 triple bond, 1 rotatable bond, and 12 aromatic bonds.",Cn1c([O-])c(C#N)c(-c2ccccc2)cc1=O
FunctionalGroup,The molecule is composed of and 2 amide groups.,CCC(CC)NC(=O)C1=NNC(=O)CC1
AddComponent,Add a benzene ring to the molecule CC[NH2+]C(CCCOCC)c1cnnn1-c1ccccc1.,CC[NH2+]C(CCCOCC)c1cnnn1-c1cccc(-c2ccccc2)c1
SubComponent,Substitute a hydroxyl in the molecule CCCCCCCCCOc1ccc(C2C(c3cccs3)=C(O)C(=O)N2c2ccccc2OC)cc1OC with a carboxyl.,CCCCCCCCCOc1ccc(C2C(c3cccs3)=C(C(=O)[OH])C(=O)N2c2ccccc2OC)cc1OC
DelComponent,Please remove a halo from the molecule O=c1ccc(OCC2CC2)c2[nH]cc(C3=C(Cl)CC(Cl)C=C3)c([O-])c1-2.,O=c1ccc(OCC2CC2)c2[nH]cc(C3=C(Cl)CCC=C3)c([O-])c1-2
LogP,Modify the molecule CCN1C(=CC=CC=CC=CC2=[N+](C)c3ccc(NC(=O)CI)cc3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21 to increase its LogP value.,CCN1C(=CC=CC=CC=CC2=[N+](C)c3ccc(NC(=O)CI)cc3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)Br)cc(S(=O)(=O)O)cc21
MR,Optimize the molecule CCOC(=O)C(C)(C)C(=O)CCOc1ccccc1 to have a higher MR value.,CC(OC(=O)C(C)(C)C(=O)CCOc1ccccc1)c1ccccc1
QED,Please modify the molecule COc1ccccc1CCNC(=O)CC1C[NH+]2CCC1CC2 to decrease its QED value.,COc1ccccc1CCNC(=O)CC1C[NH+]2CCC1CC2N
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccccc1OCc1cc(=O)n2c(-c3ccccc3)csc2n1
BondNum,"Please generate a molecule composed of 19 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)(CCCN1CCN(c2ccc(BO)cc2F)C1=O)[Si](C)(C)O
FunctionalGroup,"Please generate a molecule composed of 1 ester group, and 1 amide group.",CCOC(=O)c1c[nH+]c2n1CCN(C(C)=O)C2
AddComponent,Modify the molecule CC1C[NH+](Cc2ccccc2)CCN1C(=O)C[NH2+]CC1CC1 by adding a benzene ring.,CC1C[NH+](Cc2ccccc2)CCN1C(=O)C[NH2+]C(c1ccccc1)C1CC1
SubComponent,Modify the molecule CC[NH2+]C(C)c1cccc(F)c1N(CC)CC(C)CC by substituting a halo with a thiol.,CC[NH2+]C(C)c1cccc(S)c1N(CC)CC(C)CC
DelComponent,Please remove a Clc1ccc(C2=[NH+]OB(c3ccccc3)N2c2ccc(Br)cc2)s1 from the molecule amine.,Clc1ccc(C2OB(c3ccccc3)N2c2ccc(Br)cc2)s1
LogP,Please optimize the molecule COc1ccc2cc(CN(C(=O)c3ccccc3F)C3CCCC3)c(=O)[nH]c2c1 to have a lower LogP value.,COc1ccc2cc(C(O)N(C(=O)c3ccccc3F)C3CCCC3)c(=O)[nH]c2c1
MR,Modify the molecule CCCCNc1cc(NCCCC)c2c([nH]c3ccccc32)[nH+]1 to increase its MR value.,CCCCNc1cc(NCCCC)c2c([nH]c3ccc(C(=O)O)cc32)[nH+]1
QED,Optimize the molecule COc1cc(NC(=O)c2ccccc2C)c(OC)cc1NC(=O)C[NH+]1CCOCC1 to have a higher QED value.,COc1cc(NC(=O)C[NH+]2CCOCC2)c(OC)cc1NC(C)=O
AtomNum,"There is a molecule with 16 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC(=O)NCCCCNC(=O)COc1ccc(C)c(C)c1
BondNum,"Please generate a molecule with 24 single bonds, 6 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",COC(=O)C1=C(C(=O)OC)C2N(Cc3ccccc3)c3ccccc3C23CC(C(=O)OC)N(C(=O)c2ccco2)C3=[NH+]1
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, 1 ketone group, 1 amide group, and 1 halo group.",C=CCOC(=O)N1CC(F)CC1C=C(C)C(=O)CC1NC(=O)C1C(C)O
AddComponent,Please add a carboxyl to the molecule CCN1C=[NH+]NC1C(F)(F)F.,O=C(O)CCN1C=[NH+]NC1C(F)(F)F
SubComponent,Modify the molecule hydroxyl by substituting a COC(=O)NC(C(=O)NC(CCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(CO)cc1)C(F)(F)F)C(c1ccccc1)c1ccccc1 with a thiol.,COC(=O)NC(C(=O)NC(CCCC(CS)N(CC(C)C)S(=O)(=O)c1ccc(CO)cc1)C(F)(F)F)C(c1ccccc1)c1ccccc1
DelComponent,Please remove a amide from the molecule O=C(CCc1ccco1)NCC(=O)NC1CC1.,O=C(CCc1ccco1)NC1CC1
LogP,Please optimize the molecule O=S(=O)(O)CCC[n+]1c(C=C2Sc3ccc4ccccc4c3[N+]23CCC3S(=O)(=O)O)sc2ccc(Cl)cc21 to have a lower LogP value.,O=[SH](=O)C1CC[N+]12C(=Cc1sc3ccc(Cl)cc3[n+]1CCCS(=O)(=O)O)Sc1ccc3ccccc3c12
MR,Modify the molecule CN1CCC(NC(=O)N2CC3(CCOCC3)C3CCCC32)C1=O to have a higher MR value.,CN1CCC(NC(=O)N2CC3(CCOCC3)C3C(O)CCC32)C1=O
QED,Modify the molecule Fc1cccc(C2(c3ccc(N4CCCCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)c1 to have a higher QED value.,FC1(c2ccc(N3CCCCC3)cc2)C=Cc2c(cc(N3CCOCC3)c3ccccc23)O1
AtomNum,"Please generate a molecule composed of 33 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",Cc1cc(C)c2c(c1)C1C=C(CC(C)C)c3cc(-c4ccccc4)ccc3N1C2OC(C)CC(C)O
BondNum,"The molecule has 9 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",[NH3+]C1C=CC(C(=O)Cc2ccccc2Cl)C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",COc1cccc(-c2noc(CCCC(=O)N3CCN(c4cnccn4)CC3)n2)c1
AddComponent,Add a benzene ring to the molecule CCOC(=O)Cn1c2c(c3ccccc31)CC(NC(=O)c1ccccc1)CC2.,CCOC(=O)Cn1c2c(c3c(-c4ccccc4)cccc31)CC(NC(=O)c1ccccc1)CC2
SubComponent,Please substitute a halo in the molecule CCN(Cc1ccc(OC)c(F)c1)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 with a carboxyl.,CCN(Cc1ccc(OC)c(C(=O)[OH])c1)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1
DelComponent,Modify the molecule Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc4c(c3)OCO4)c2C)cc1 by removing a halo.,Cc1ccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccc4c(c3)OCO4)c2C)cc1
LogP,Modify the molecule CC(C)[NH2+]CCCC(=O)N(CCCO)C1CCC1 to increase its LogP value.,CC(C)[NH2+]CCCC(=O)N(CCCC#N)C1CCC1
MR,Modify the molecule CN(C)C(=O)COC(=O)N(C1CCc2c(C(N)=[NH+]O)cccc21)C(C)(C)C to have a lower MR value.,CCOC(=O)N(C1CCc2c(C(N)=[NH+]O)cccc21)C(C)(C)C
QED,Modify the molecule O=S(=O)(NC1(CCl)CCCCC1)c1cn[nH]c1 to increase its QED value.,CC1(NS(=O)(=O)c2cn[nH]c2)CCCCC1
AtomNum,"The molecule has 22 carbon atoms, 11 oxygen atoms, 7 nitrogen atoms, and 2 sulfur atoms.",COc1cc([N+](=O)[O-])c(S(=O)[O-])cc1N1NC(C(=O)Nc2ccccc2)=[NH+]N1c1cc(S(=O)[O-])c([N+](=O)[O-])cc1OC
BondNum,"There is a molecule composed of 10 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",CC1OCCC1(O)Cc1ccc(Cl)s1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 halo group, and 1 sulfone group.",CC1CC(C)CN(S(=O)(=O)N2CCC(ONC(=O)Nc3ccc(F)cc3)CC2)C1
AddComponent,Modify the molecule CC(CC1C(=O)N(c2ccccc2)C(=O)C1C)c1ccc(C(C)(C)C)cc1 by adding a amine.,CC(CC1(N)C(=O)N(c2ccccc2)C(=O)C1C)c1ccc(C(C)(C)C)cc1
SubComponent,Substitute a halo in the molecule C#CCC(NC(=O)Nc1ccc(F)c(C)c1)C(=O)[O-] with a aldehyde.,CC(=O)c1ccc(NC(=O)NC(CC#C)C(=O)[O-])cc1C
DelComponent,Please remove a hydroxyl from the molecule [NH3+]C1CCc2c(nc(CO)n2CC[NH+]2CCOCC2)C1.,Cc1nc2c(n1CC[NH+]1CCOCC1)CCC([NH3+])C2
LogP,Modify the molecule c1ccc(SC(Sc2ccccc2)c2ncc[nH]2)cc1 to have a higher LogP value.,c1ccc(SC(Sc2cccc(-c3ccccc3)c2)c2ncc[nH]2)cc1
MR,Modify the molecule CC(C)n1ncc(Cl)c1C(O)c1ccc(C(F)(F)F)cc1 to have a higher MR value.,CC(C)n1ncc(Cl)c1C(O)(CC=O)c1ccc(C(F)(F)F)cc1
QED,Optimize the molecule CCCCCCc1cc(Cc2ccccc2)c(O)c(C(=O)OCC)n1 to have a higher QED value.,CCCCCCc1cc(C)c(O)c(C(=O)OCC)n1
AtomNum,"Please generate a molecule with 10 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",NC(=O)CN(CC(N)=O)c1ccc(N)c(N)c1
BondNum,"The molecule has 7 single bonds, 4 double bonds, 5 rotatable bonds, and 22 aromatic bonds.",CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, and 5 halo groups.",O=C(Nc1ccc(F)c(F)c1F)c1ccc(Br)cc1Br
AddComponent,Please add a benzene ring to the molecule CC(C)C[NH+](CCC1CS(=O)(=O)CCN1)CC(C)C.,CC(C)C[NH+](CCC1CS(=O)(=O)C(c2ccccc2)CN1)CC(C)C
SubComponent,Please substitute a halo in the molecule CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3C(C)(C)C)cc2)cc1 with a nitrile.,CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C#N)cc3C(C)(C)C)cc2)cc1
DelComponent,Remove a COC(=O)CC([NH2+]Cc1ccc(Cl)cc1)C(=O)[O-] from the molecule benzene ring.,COC(=O)CC([NH2+]CCl)C(=O)[O-]
LogP,Modify the molecule C=CC(Sc1ccccc1N)c1cccc(C(F)(F)F)c1 to have a lower LogP value.,C=CC(Sc1cccc(C(=O)O)c1N)c1cccc(C(F)(F)F)c1
MR,Optimize the molecule CCCS(=O)(=O)c1ccc(C(C#N)CBr)cc1 to have a higher MR value.,CCC(c1ccccc1)S(=O)(=O)c1ccc(C(C#N)CBr)cc1
QED,Please optimize the molecule CCC(C)OC(C)Cc1cccc(C(C)C)c1Cl to have a lower QED value.,CCC(C)OC(C)CC(C)(C)Cl
AtomNum,"There is a molecule with 24 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1OC
BondNum,"There is a molecule composed of 22 single bonds, 2 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",[NH3+]CC(NN1Cc2ccccc2C(C[NH2+]C2CCCCC2)C1C(=O)c1ccccc1)C(=O)[O-]
FunctionalGroup,Please generate a molecule with and 1 ester group.,COC(=O)C1(C(C)C2CCC3OC3C2)CCC2OC2C1
AddComponent,Modify the molecule COCCNc1nc2cc(C(=O)NC3CCS(=O)(=O)C3)ccc2n1C by adding a benzene ring.,COCCNc1nc2cc(C(=O)NC3(c4ccccc4)CCS(=O)(=O)C3)ccc2n1C
SubComponent,Please substitute a halo in the molecule CS(=O)(=O)N1CCC(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 with a aldehyde.,CC(=O)C(F)(F)c1ccc(-c2nc(CC(=O)NC3CCN(S(C)(=O)=O)CC3)cs2)cc1
DelComponent,Please remove a CCC(CC)(CCl)NC(=O)C1CCCC(F)(F)C1 from the molecule halo.,CCC(CC)(CCl)NC(=O)C1CCCC(F)C1
LogP,Please modify the molecule O=C(NC1CCOC(C2CC2)C1)c1cc(-c2ccccc2)ns1 to increase its LogP value.,O=C(NC1CCOC(C2CC2)C1)c1cc(-c2ccccc2-c2ccccc2)ns1
MR,Modify the molecule CC(C)Oc1cc(N2CCN(C(=O)c3ccccc3)CC2)c(OC(C)C)cc1[N+]#N to have a higher MR value.,CC(C)Oc1cc(N2CCN(C(=O)c3ccccc3O)CC2)c(OC(C)C)cc1[N+]#N
QED,Modify the molecule C[NH+]=C(NCc1ccc(C#N)cc1)NC1CN(C(=O)OC(C)(C)C)C1 to decrease its QED value.,CC(=O)c1ccc(CNC(NC2CN(C(=O)OC(C)(C)C)C2)=[NH+]C)cc1
AtomNum,"There is a molecule composed of 22 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 sulfur atom.",CC1CCc2c(sc(NC(=O)Cn3c(C[NH+](C)C)nc4ccccc43)c2C#N)C1
BondNum,"There is a molecule consisting of 32 single bonds, 1 double bond, and 28 rotatable bonds.",CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCC(=O)[O-]
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",CCCC(CC[NH3+])CNC(=O)c1ccc(C(C)C)cc1
AddComponent,Modify the molecule O=C(NNC(=O)C1CC2(CC2)C2CN1C(=O)N2OS(=O)(=O)[O-])C1CCC1 by adding a amine.,NC1(C(=O)NNC(=O)C2CCC2)CC2(CC2)C2CN1C(=O)N2OS(=O)(=O)[O-]
SubComponent,Modify the molecule halo by substituting a O=C(CSC1=[NH+]c2c(cnn2-c2ccc(Cl)cc2)C2=[NH+]CCCN12)Nc1ccc([N+](=O)[O-])cc1 with a hydroxyl.,O=C(CSC1=[NH+]c2c(cnn2-c2ccc(O)cc2)C2=[NH+]CCCN12)Nc1ccc([N+](=O)[O-])cc1
DelComponent,Please remove a benzene ring from the molecule CSc1ccccc1C(=O)Nc1nc(C)cs1.,CSC(=O)Nc1nc(C)cs1
LogP,Modify the molecule CC(C)(C)c1ccccc1N1C(=O)N(Cc2ccccc2Cc2ccccc2)C(C)(C)C1=O to have a lower LogP value.,CC(C)(C)c1ccccc1N1C(=O)N(CCc2ccccc2)C(C)(C)C1=O
MR,Optimize the molecule C=CCN1C(=O)C(=Cc2cccc(OC)c2OCCCOc2ccccc2OC)SC1=S to have a lower MR value.,C=CCN1C(=O)C(=Cc2cccc(OC)c2OCCCOOC)SC1=S
QED,Please modify the molecule OCC(Cc1cccs1)Cn1ccnc1-c1ccc2c(c1)OCO2 to decrease its QED value.,SCC(Cc1cccs1)Cn1ccnc1-c1ccc2c(c1)OCO2
AtomNum,"The molecule contains 14 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",Cc1cc(C(=O)NCC(O)CO)c2ccccc2n1
BondNum,"There is a molecule consisting of 9 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",O=C(CCCl)NCCOCc1ccccc1
FunctionalGroup,"The molecule is composed of 3 amine groups, and 1 nitro group.",CC1(Nc2nc(NN)ncc2[N+](=O)[O-])CCCOC1
AddComponent,Modify the molecule Cc1ccc(N2CCCC(NC(=O)NCC3CCCO3)C2)nn1 by adding a benzene ring.,Cc1ccc(N2CCCC(NC(=O)NCC3CCCO3)C2c2ccccc2)nn1
SubComponent,Substitute a CC(C)C(C)(C(=O)OCCO)C(C)C(C(=O)NCCNC(=O)C(C(C)C(C)(C(=O)OCCO)C(C)C)C(C)C(C)(C(=O)OCCO)C(C)C)C(C)C(C)(C(=O)OCCO)C(C)C in the molecule hydroxyl with a nitrile.,CC(C)C(C)(C(=O)OCCO)C(C)C(C(=O)NCCNC(=O)C(C(C)C(C)(C(=O)OCCO)C(C)C)C(C)C(C)(C(=O)OCCC#N)C(C)C)C(C)C(C)(C(=O)OCCO)C(C)C
DelComponent,Remove a C[NH+](CC1CCCN(S(C)(=O)=O)C1)C(C)(C)CCl from the molecule halo.,C[NH+](CC1CCCN(S(C)(=O)=O)C1)C(C)(C)C
LogP,Please modify the molecule CN(C(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl)C12CC3CCC(CC(C3)C1)C2 to decrease its LogP value.,CN(C(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl)C12CC3CCC(C1)C(O)C(C3)C2
MR,Modify the molecule COc1cccc(Cc2noc3c2CCN3)c1 to have a lower MR value.,COCc1noc2c1CCN2
QED,Modify the molecule CN1C(=O)NC(=O)C(C)(CCl)C1=O to increase its QED value.,CN1C(=O)NC(=O)C(C)(CC(=O)[OH])C1=O
AtomNum,"The molecule is composed of 22 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",CCCCCCCCCCCC[N+](C)(C)CCOc1ccc(Cl)cc1
BondNum,"The molecule is composed of 8 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",O=[N+]([O-])c1ccc(N2CCC(c3ccccc3)=N2)cc1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, 2 halo groups, 1 thioether group, and 1 sulfide group.",CCC(Sc1nnc2c3cc(C)ccc3n(Cc3ccccc3F)c2n1)C(=O)N1CCN(c2cccc(Cl)c2)CC1
AddComponent,Modify the molecule CCOC(=O)CNC(=O)NCCCc1cnc2ncc[nH]c1-2 by adding a benzene ring.,CCOC(=O)CNC(=O)NC(CCc1cnc2ncc[nH]c1-2)c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cc1c(C(=O)N2CCOCC2)oc2ccc(Cl)cc12 with a aldehyde.,CC(=O)c1ccc2oc(C(=O)N3CCOCC3)c(C)c2c1
DelComponent,Modify the molecule halo by removing a CC(C(=O)NC(=O)NC1CC1)[NH+](C)Cc1ccccc1C(F)(F)F.,CC(C(=O)NC(=O)NC1CC1)[NH+](C)Cc1ccccc1C(F)F
LogP,Modify the molecule COc1ccc2c3conc3c(=O)n(CC=O)c2c1 to have a lower LogP value.,O=CCn1c(=O)c2nocc2c2ccc(OCC(=O)O)cc21
MR,Modify the molecule CC(C=CCCn1cc(C(CO)c2ccccc2)nn1)C1(O)C(=O)N(Cc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)c2ccc(Cl)cc21 to decrease its MR value.,CC(C=CCCn1cc(C(CO)c2ccccc2)nn1)C1(O)C(=O)N(CNC(=O)Cc2c[nH]c3ccccc23)c2ccc(Cl)cc21
QED,Modify the molecule COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N(C)c1ccccc1F to increase its QED value.,COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N(C)c1ccccc1O
AtomNum,"There is a molecule with 13 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, 2 sulfur atoms, and 1 chlorine atom.",O=S(=O)(Cc1ccccc1Cl)Nc1cccc(S(=O)(=O)[O-])c1
BondNum,"The molecule contains 17 single bonds, 2 double bonds, 5 rotatable bonds, and 10 aromatic bonds.",Cc1cc(C)n(Cc2ccc(C(=O)N3NC(C(F)F)=CC3(O)C(F)F)o2)n1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, and 1 sulfone group.",CCn1cc(S(=O)(=O)Nc2cccc(C)c2)cc1C(=O)[O-]
AddComponent,Add a hydroxyl to the molecule CCCCCCCN(C)C(=O)C(NC(C)=O)C(=O)N(C)CCCCCCC.,CCCCCCCN(C)C(=O)C(NC(C)=O)C(=O)N(C)CCCC(O)CCC
SubComponent,Substitute a Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)c1 in the molecule halo with a hydroxyl.,Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2cc(C)c(O)c(C)c2)c1
DelComponent,Modify the molecule benzene ring by removing a CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(NS(C)(=O)=O)c2)C1.,CC(C)(C)OC(=O)NC1CC[NH+](CNS(C)(=O)=O)C1
LogP,Modify the molecule COc1ccc(C=Nn2c(C)nnc2C)cc1Br to have a higher LogP value.,COc1ccc(C=Nn2c(C)nnc2Cc2ccccc2)cc1Br
MR,Please optimize the molecule [NH3+]C1(c2ccc(-c3nc4ccc5nnc(-c6ncn[nH]6)n5c4cc3-c3ccccc3)cc2)CC(F)(F)C1 to have a higher MR value.,[NH3+]C1(c2ccc(-c3nc4ccc5nnc(-c6ncn[nH]6)n5c4cc3-c3ccccc3)cc2)CC(F)(C(=O)[OH])C1
QED,Please modify the molecule Cc1cc(F)ccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 to decrease its QED value.,Cc1cc(C#N)ccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1
AtomNum,"The molecule has 24 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",c1cc(-c2ccc(-c3noc(C4CCC[NH+]4Cc4ccc5c(c4)OCO5)n3)cn2)ccn1
BondNum,"Please generate a molecule consisting 20 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",O=C(CNc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)Nc1cc(Cl)cc(Cl)c1
FunctionalGroup,Please generate a molecule composed of and 2 amide groups.,Cc1cc(C(=O)N2CC[NH+](CC(=O)N3CCCCC3)CC2)nn1C(C)(C)C
AddComponent,Modify the molecule CCOC(=O)C[NH+](CC(=O)OCC)Cc1c(CC)c(CNc2cc(C)cc(C)n2)c(CC)c(CNc2cc(C)cc(C)n2)c1CC by adding a nitrile.,CCOC(=O)C[NH+](CC(=O)OCC)Cc1c(CC)c(CNc2cc(C)cc(C)n2)c(CC)c(CNc2cc(C)c(C#N)c(C)n2)c1CC
SubComponent,Modify the molecule COCCN(c1nccnc1C(N)=[NH+]O)C(C)COC by substituting a hydroxyl with a aldehyde.,CC(=O)[NH+]=C(N)c1nccnc1N(CCOC)C(C)COC
DelComponent,Remove a Nc1c(Cl)cc(C(O)NN=Cc2cccnc2)cc1Cl from the molecule hydroxyl.,Nc1c(Cl)cc(CNN=Cc2cccnc2)cc1Cl
LogP,Please modify the molecule NNC(Cc1ccc(F)c(Br)c1)c1cnccn1 to decrease its LogP value.,N#Cc1ccc(CC(NN)c2cnccn2)cc1Br
MR,Optimize the molecule Cc1ccc(-c2cccc(-c3nc4c(ccc5cc(S(=O)(=O)N6CCCC(OC(=O)[O-])C6)cc(O)c54)[nH]3)c2)cc1C to have a lower MR value.,CCc1cccc(-c2nc3c(ccc4cc(S(=O)(=O)N5CCCC(OC(=O)[O-])C5)cc(O)c43)[nH]2)c1
QED,Modify the molecule Nc1ncccc1-c1cncn1CC1CCS(=O)(=O)C1 to have a lower QED value.,Nc1ncccc1-c1cncn1CC1CC(O)S(=O)(=O)C1
AtomNum,"There is a molecule composed of 16 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",C=CCNc1cc(Nc2ccc(OCC)cc2)nc(C)n1
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, 8 rotatable bonds, and 22 aromatic bonds.",CN(CCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12)S(=O)(=O)c1cccc(Cl)c1
FunctionalGroup,The molecule consists of and 2 amine groups.,COCCCNC(=S)Nc1nc(OC)cc(N2CCCCC2C)n1
AddComponent,Modify the molecule C=C[Se]c1ccccc1 by adding a amine.,C=C[Se]c1cccc(N)c1
SubComponent,Modify the molecule halo by substituting a COc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 with a nitro.,COc1ccc(C(=O)OCC(=O)Nc2ccc(NO)c(Cl)c2)cc1S(=O)(=O)N1CCCCCC1
DelComponent,Remove a amine from the molecule Cc1ncccc1-c1csc(N)n1.,Cc1ncccc1-c1cscn1
LogP,Please optimize the molecule COC(=O)C1N2C(=O)C(NC(=O)CNc3ccccc3C(=O)OCC(Cl)(Cl)Cl)C2S(=O)C1(C)C to have a lower LogP value.,COC(=O)C1N2C(=O)C(NC(=O)CNc3ccccc3C(=O)OCC(Cl)Cl)C2S(=O)C1(C)C
MR,Optimize the molecule COc1ccc(S(=O)(=O)N(N)Cc2ccccc2)cc1 to have a lower MR value.,COc1ccc(S(=O)(=O)N(C)N)cc1
QED,Optimize the molecule CCc1ccc(N2C(=O)CC(c3ccccc3C(F)(F)F)C3=C2CCCC3=O)cc1 to have a higher QED value.,CCc1ccc(N2C(=O)CC(c3ccccc3C(F)F)C3=C2CCCC3=O)cc1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 1 oxygen atom, 1 sulfur atom, 1 chlorine atom, 1 bromine atom, and 1 iodine atom.",O=C(Cc1ccc(Br)cc1Cl)c1csc(I)c1
BondNum,"The molecule is composed of 13 single bonds, 1 double bond, 11 rotatable bonds, and 22 aromatic bonds.",CCOCCCn1c(SCC(O)COc2ccc3ccccc3c2)nc2ccccc2c1=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amide groups, 1 amine group, and 4 halo groups.",CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)C(N)(c3ccccc3)C(F)(F)F)CC2)nc1Cl
AddComponent,Add a benzene ring to the molecule O=C(NCC(CO)Cc1cccs1)c1cc2ncccn2n1.,O=C(NCC(Cc1cccs1)C(O)c1ccccc1)c1cc2ncccn2n1
SubComponent,Please substitute a COc1c(C2OC(CO)C(O)C(O)C2O)c([O-])c2c(=O)cc(-c3ccccc3)oc2c1C1OC(CO)C(O)C(O)C1O in the molecule hydroxyl with a nitro.,COc1c(C2OC(CNO)C(O)C(O)C2O)c([O-])c2c(=O)cc(-c3ccccc3)oc2c1C1OC(CO)C(O)C(O)C1O
DelComponent,Please remove a benzene ring from the molecule Cc1noc(C)c1COc1ccccc1C(=O)N1CCN(c2nc3cccnc3s2)CC1.,Cc1noc(C)c1COC(=O)N1CCN(c2nc3cccnc3s2)CC1
LogP,Please modify the molecule NC(=O)CNC(=O)Nc1cccc(NC(=O)c2cccc3cc[nH]c23)c1 to decrease its LogP value.,NC(=O)CNC(=O)NNC(=O)c1cccc2cc[nH]c12
MR,Modify the molecule COc1nc(Nc2cc(F)cc(F)c2F)ncc1Br to increase its MR value.,COc1nc(Nc2cc(F)c(O)c(F)c2F)ncc1Br
QED,Please modify the molecule CCN(c1ccccc1)S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCCC3)n2)ccc1C to decrease its QED value.,CCN(c1ccccc1)S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCCC3)n2)cc(-c2ccccc2)c1C
AtomNum,"The molecule consists of 29 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",C[NH2+]C(CCC[NH+]=C(N)N)C(=O)N(CC1=CC(CC(=O)[O-])C(=O)N(c2ccccc2)CC1)C(=O)c1ccccc1
BondNum,"There is a molecule composed of 13 single bonds, 2 double bonds, 6 rotatable bonds, and 27 aromatic bonds.",Cc1cccc(-n2c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc3c([nH]c4ccccc43)c2=O)c1C
FunctionalGroup,"There is a molecule consisting of 1 thioether group, and 1 sulfide group.",CC(C)[NH2+]CCCSc1nnnn1C
AddComponent,Add a nitrile to the molecule Cc1ccc(C(C)[NH2+]Cc2ccc3ncccc3c2)cc1.,Cc1ccc(C(C)[NH2+]Cc2ccc3nccc(C#N)c3c2)cc1
SubComponent,Modify the molecule halo by substituting a COc1ncc(NS(=O)(=O)Cc2cc(F)cc(F)c2)c(N(C)C)n1 with a hydroxyl.,COc1ncc(NS(=O)(=O)Cc2cc(O)cc(F)c2)c(N(C)C)n1
DelComponent,Modify the molecule O=C([O-])C(c1ccccc1Cl)n1cc(Cn2nc(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)nn1 by removing a benzene ring.,O=C([O-])C(Cl)n1cc(Cn2nc(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)nn1
LogP,Modify the molecule Cn1ccnc1C(NC(=O)COc1ccc2c(c1)CCC2)c1ccc(Cl)cc1 to have a lower LogP value.,Cn1ccnc1C(NC(=O)COc1ccc2c(c1)CCC2)c1ccc(NO)cc1
MR,Modify the molecule CCOC(=O)C([NH3+])CSCC(=O)NCCc1cccs1 to decrease its MR value.,CCOC(=O)C([NH3+])CSCCc1cccs1
QED,Modify the molecule CCC(C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O to decrease its QED value.,CCC(C(=O)NCC(C)C)N(Cc1ccc(NO)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",Cc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1Br
BondNum,"Please generate a molecule composed of 18 single bonds, 2 double bonds, 2 rotatable bonds, and 10 aromatic bonds.",CCc1oc2c(NC(=O)N3CCCC4(CN(C)C(=O)O4)C3)cccc2c1C
FunctionalGroup,There is a molecule with and 2 benzene ring groups.,COc1ccccc1C#CCNC(=O)Nc1ccccc1OC
AddComponent,Add a aldehyde to the molecule COC1CC(c2nncn2C)N(C(=O)C2OC(C)CC2C)C1.,COC1CC(c2nnc(CC=O)n2C)N(C(=O)C2OC(C)CC2C)C1
SubComponent,Substitute a halo in the molecule Fc1cc(Br)ccc1C[NH2+]Cc1ccccc1 with a aldehyde.,CC(=O)c1cc(Br)ccc1C[NH2+]Cc1ccccc1
DelComponent,Remove a CCCCCc1ccccc1OS(=O)(=O)Cc1ccccc1 from the molecule benzene ring.,CCCCCc1ccccc1OS(C)(=O)=O
LogP,Please modify the molecule COC1(CC(=O)Nc2ccc(Br)cn2)CCC1 to decrease its LogP value.,COC1(CC(=O)Nc2ccc(Br)cn2)CCC1C(=O)O
MR,Modify the molecule O=C(CN1CC[NH+](CC(=O)N2CCCCC2)CC1)NCc1ccccc1Cl to have a lower MR value.,O=C(CN1CC[NH+](CC(=O)N2CCCCC2)CC1)NCCl
QED,Please optimize the molecule O=C1NC(CO)C(=O)N2CCS(=O)(=O)CC12 to have a higher QED value.,N#CCC1NC(=O)C2CS(=O)(=O)CCN2C1=O
AtomNum,"The molecule is composed of 10 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",CCOC(=O)Cc1cc(C(F)F)c(F)nc1N
BondNum,"Please generate a molecule composed of 19 single bonds, and 5 rotatable bonds.",CC[NH+]1CCOC(C[NH+](C)CC2(O)CCCC2)C1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amine groups, and 1 sulfone group.",CCCNCCS(=O)(=O)NC(C)(C)CCc1ccccc1
AddComponent,Modify the molecule COC(C)(CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1F by adding a benzene ring.,COC(C)(CNS(=O)(=O)c1cccc(Cl)c1-c1ccccc1)c1ccccc1F
SubComponent,Modify the molecule halo by substituting a O=C(OC(Cn1ccnc1)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 with a carboxyl.,O=C([OH])c1ccc(C(Cn2ccnc2)OC(=O)c2ccc(-c3ccccc3)cc2)cc1
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(NC(=O)c2c(C)cc(=O)oc2C)c1.,CNC(=O)c1c(C)cc(=O)oc1C
LogP,Modify the molecule Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)C2c2cccc(OCCC(C)C)c2)o1 to decrease its LogP value.,Cc1ccc(C(=O)C2=C(NO)C(=O)N(c3nnc(C)s3)C2c2cccc(OCCC(C)C)c2)o1
MR,Please optimize the molecule CC(C)C1CSC(NC(C(N)=O)C(C)C)=[NH+]1 to have a lower MR value.,CC(C)C1CSC(C(C(N)=O)C(C)C)=[NH+]1
QED,Optimize the molecule CC(O)CCC(=O)N(C)C1CCCCCC1 to have a lower QED value.,CCCCC(=O)N(C)C1CCCCCC1
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",CCOC(=O)C1C[NH2+]CCN1Cc1ccc(Cl)cc1Br
BondNum,"There is a molecule composed of 9 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C(=O)C(=O)c2ccc(OCCO)cc2)cc1
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,CC(=O)N1CC[NH+](C(C(=O)[O-])c2c(C)[nH]c3ccccc23)CC1
AddComponent,Modify the molecule Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(Br)c1 by adding a hydroxyl.,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(CO)cc1Br
SubComponent,Please substitute a halo in the molecule Clc1ccc2c(c1)C(OCCN1CC[NH2+]CC1)c1ccccc1CS2 with a nitrile.,N#Cc1ccc2c(c1)C(OCCN1CC[NH2+]CC1)c1ccccc1CS2
DelComponent,Remove a halo from the molecule CCn1nc(C)c(Cl)c1CC1([NH3+])CCOc2ccccc21.,CCn1nc(C)cc1CC1([NH3+])CCOc2ccccc21
LogP,Modify the molecule O=C(CCNc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1 to have a lower LogP value.,O=C(CCNCl)Nc1ccc(N2CCCC2)cc1
MR,Please modify the molecule Cc1ccc(O)c(C[NH+]2CCC(N3CCC([NH3+])CC3)C2)c1 to decrease its MR value.,Cc1cccc(C[NH+]2CCC(N3CCC([NH3+])CC3)C2)c1
QED,Modify the molecule COCCNC(=O)NC(=O)COC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 to have a lower QED value.,COCCNC(=O)NC(=O)COC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccc(-c2ccccc2)cc1
AtomNum,"The molecule has 51 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC1(C)c2ccccc2-c2c(C3=[NH+]C(n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5c6ccccc6ccc54)c4ccccc4N3)cccc21
BondNum,"The molecule contains 13 single bonds, 4 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",CCCCCNS(=O)(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 amine group.",CCC(CC)C(=O)N1CC[NH+]=C1N1CCCCC1
AddComponent,Add a thiol to the molecule C[NH2+]Cc1cccn1Cc1nccc(OC)c1OC.,C[NH2+]Cc1cccn1C(S)c1nccc(OC)c1OC
SubComponent,Substitute a CCCCOCC(COCCCC)Oc1cccc2ccc(OS(=O)(=O)C(F)(F)F)nc12 in the molecule halo with a thiol.,CCCCOCC(COCCCC)Oc1cccc2ccc(OS(=O)(=O)C(F)(F)S)nc12
DelComponent,Modify the molecule amide by removing a CC(Sc1nnnn1Cc1ccccc1)C(=O)NCc1cccs1.,CC(Sc1nnnn1Cc1ccccc1)c1cccs1
LogP,Please modify the molecule CC1(C)OCC(C(O)CC(Sc2ccccc2)Sc2ccccc2)O1 to increase its LogP value.,CC1(C)OCC(C(C#N)CC(Sc2ccccc2)Sc2ccccc2)O1
MR,Modify the molecule COCc1c(Br)cccc1NC(C)c1ccc(O)cc1F to have a higher MR value.,COCc1c(Br)cccc1NC(C)c1ccc(C(=O)[OH])cc1F
QED,Please optimize the molecule Cc1cc(C)cc(Cn2nc(C)c(C(C)Cl)c2C)c1 to have a higher QED value.,Cc1cc(C)cc(Cn2nc(C)c(C(C)C#N)c2C)c1
AtomNum,"The molecule has 14 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COCCn1cncc1C1CN(C(=O)OC(C)(C)C)C1
BondNum,"Please generate a molecule with 8 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C(Br)Cc2ccc(Br)cc2)cc1C
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, and 1 halo group.",Nc1cccc2c1C[NH+](CCOc1ccccc1Cl)CC2
AddComponent,Modify the molecule Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NC1CCCCCC1 by adding a hydroxyl.,Cc1oc(-c2ccc(Cl)cc2O)nc1CS(=O)CC(=O)NC1CCCCCC1
SubComponent,Modify the molecule halo by substituting a C[NH+]=C(NCCCc1ccc(Cl)cc1)NCCNC(=O)OC(C)(C)C with a carboxyl.,C[NH+]=C(NCCCc1ccc(C(=O)[OH])cc1)NCCNC(=O)OC(C)(C)C
DelComponent,Modify the molecule amine by removing a Cc1nn(C)c(C)c1NCc1ccncc1.,Cc1nn(C)c(C)c1Cc1ccncc1
LogP,Please optimize the molecule COc1cc(OC(F)(F)F)nc(C)c1S(=O)(=O)Cl to have a lower LogP value.,COc1cc(OC(F)F)nc(C)c1S(=O)(=O)Cl
MR,Modify the molecule CCCc1nc(=O)c2c([nH]1)CCCS2 to increase its MR value.,CCCc1nc(=O)c2c([nH]1)C(c1ccccc1)CCS2
QED,Optimize the molecule CCCCCCCCC(CCC)c1c(C)cc2c(c1C)SC(=Cc1ccccc1)C2=O to have a higher QED value.,C=C1Sc2c(cc(C)c(C(CCC)CCCCCCCC)c2C)C1=O
AtomNum,"There is a molecule consisting of 24 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, 2 sulfur atoms, and 1 fluorine atom.",CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCCCC2
BondNum,"Please generate a molecule consisting 14 single bonds, 2 double bonds, 8 rotatable bonds, and 23 aromatic bonds.",C[NH+](C)CC(Nc1ncnc2c(OC(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2F)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 halo groups.",COCC[NH2+]CC1CCOC1c1ccc(F)c(Cl)c1
AddComponent,Please add a benzene ring to the molecule COc1cc(C(C)NC(=O)c2cccc(C)c2NC(=O)c2ccncc2)ccc1OC1CCCC1.,Cc1cccc(C(=O)NC(C)c2ccc(OC3CCCC3)c(OCc3ccccc3)c2)c1NC(=O)c1ccncc1
SubComponent,Modify the molecule halo by substituting a COC(=O)c1c(Cl)[nH]c2c(=O)n(CC(=O)c3cccc(OC)c3)cnc12 with a carboxyl.,COC(=O)c1c(C(=O)[OH])[nH]c2c(=O)n(CC(=O)c3cccc(OC)c3)cnc12
DelComponent,Modify the molecule halo by removing a CCC(Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccc2c(c1)OCO2.,CCC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc2c(c1)OCO2
LogP,Modify the molecule CCCCCc1ccc(C=Cc2ccc(F)c(F)c2F)cc1 to have a lower LogP value.,CCCCCc1ccc(C=Cc2ccc(F)cc2F)cc1
MR,Please modify the molecule COc1ccccc1-c1ccc(N2CCC(c3nc(C(C)C)no3)CC2)nn1 to decrease its MR value.,COc1ccc(N2CCC(c3nc(C(C)C)no3)CC2)nn1
QED,Modify the molecule CC(C)(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 to decrease its QED value.,CC(C)(C)c1nc(-c2cccc([N+](=O)[O-])c2)cs1
AtomNum,"There is a molecule composed of 23 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CCOc1ccccc1NC(=O)N1CCCCC1c1nc(-c2cccc(OC)c2)no1
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCCC(=O)Nc1ccc(NC(=O)COc2ccc(OC)cc2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 amine group.",COc1cc(C(=O)NCCNc2cc(-n3ccnc3C)nc(C)n2)cc(OC)c1OC
AddComponent,Add a hydroxyl to the molecule CC(O)(CNC(=O)Nc1ccncc1F)c1ccccc1Cl.,CC(O)(CNC(=O)Nc1c(O)cncc1F)c1ccccc1Cl
SubComponent,Please substitute a halo in the molecule CC(Br)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C with a aldehyde.,CC(=O)C(C)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C
DelComponent,Modify the molecule COc1cccc(Nc2ncnc(Oc3ccc(Br)c4cccnc34)c2N)c1 by removing a halo.,COc1cccc(Nc2ncnc(Oc3cccc4cccnc34)c2N)c1
LogP,Please modify the molecule CN(CC1CCOCC1)c1ccc(C#N)c(Br)c1 to decrease its LogP value.,CN(CC1CCOCC1)c1ccc(O)c(Br)c1
MR,Please optimize the molecule COc1ccc(C(c2nnnn2C2CCCCC2)[NH+]2CCN(C3=[NH+]C(=O)C(=Cc4ccccc4)S3)CC2)cc1 to have a lower MR value.,C=C1SC(N2CC[NH+](C(c3ccc(OC)cc3)c3nnnn3C3CCCCC3)CC2)=[NH+]C1=O
QED,Please optimize the molecule Cc1c(Br)cccc1CNC(=O)CS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C to have a higher QED value.,Cc1c(Br)cccc1CS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",Cc1ccccc1C(C(=O)[O-])[NH+]1CCC(O)CC1
BondNum,"The molecule has 8 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",[NH3+]CC1CCNc2cc(-c3ccccc3)nn21
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1
AddComponent,Modify the molecule Cc1ccccc1-c1nc2cc(C(C)(C)C)ccc2o1 by adding a nitrile.,Cc1ccccc1-c1nc2cc(C(C)(C)CC#N)ccc2o1
SubComponent,Substitute a halo in the molecule CN1c2cc(Cl)ccc2OCC1C[NH3+] with a nitrile.,CN1c2cc(C#N)ccc2OCC1C[NH3+]
DelComponent,Remove a CCc1ccccc1NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)NC(C)CC)c2C)CC1 from the molecule benzene ring.,CCNC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)NC(C)CC)c2C)CC1
LogP,Modify the molecule Cc1ccc(CNC(=O)N(CCC(=O)[O-])C(C)C)cc1 to have a lower LogP value.,CCNC(=O)N(CCC(=O)[O-])C(C)C
MR,Modify the molecule CC(C)C(C)NC(=O)c1ccc(CSc2nc(Cl)cc(N(C)C3CCCCC3)n2)cc1 to decrease its MR value.,CC(C)C(C)NC(=O)c1ccc(CSc2nccc(N(C)C3CCCCC3)n2)cc1
QED,Optimize the molecule OC(CC12CC3CC(CC(C3)C1)C2)c1cccs1 to have a lower QED value.,c1csc(CCC23CC4CC(CC(C4)C2)C3)c1
AtomNum,"Please generate a molecule composed of 11 carbon atoms, and 3 nitrogen atoms.",C[NH2+]C1CCN(CCCC[NH+](C)C)C1
BondNum,"The molecule has 10 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",CCc1c2c(c([O-])c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 halo groups.",CC(C)C[NH2+]CCC[NH2+]Cc1cc(F)cc(F)c1
AddComponent,Add a amine to the molecule CC(C)n1c(C2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)nn(C)c1=O.,CC(C)n1c(C2CCCN(C(=O)Nc3ccc(C(F)(F)F)c(N)c3)C2)nn(C)c1=O
SubComponent,Modify the molecule halo by substituting a COC(=O)Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 with a nitrile.,COC(=O)Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(CNC(=O)c2cc(Nc3ccc(F)cc3)ccn2)cc1.,Cc1ccc(CNC(=O)c2cc(NF)ccn2)cc1
LogP,Modify the molecule CCOc1ccccc1NC(=O)C(C)Sc1nnc(-c2ccco2)n1CC to increase its LogP value.,CCOc1ccccc1CSc1nnc(-c2ccco2)n1CC
MR,Please optimize the molecule CC(C)(C)c1ccc(=O)n(CC2C[NH+](Cc3nnc(C(F)(F)F)o3)C2)n1 to have a higher MR value.,CC(C)(CO)c1ccc(=O)n(CC2C[NH+](Cc3nnc(C(F)(F)F)o3)C2)n1
QED,Optimize the molecule Cn1nc(Cc2ccc(F)cc2)c(C#N)c1N to have a lower QED value.,Cn1nc(Cc2ccc(F)cc2)cc1N
AtomNum,"The molecule has 40 carbon atoms, 3 oxygen atoms, 1 chlorine atom, and 1 phosphorus atom.",O=C(C(c1ccc2c(c1)C(=O)c1ccccc1C2=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1Cl
BondNum,"Please generate a molecule with 19 single bonds, 2 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCCCCCOc1ccc(NC(=S)NC(NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, and 2 halo groups.",CC(C)[NH2+]Cc1cccc(COc2cc(Br)ccc2Cl)c1
AddComponent,Modify the molecule Oc1ccccc1C=Nc1ccc(C2=C(c3ccc(N=Cc4ccccc4O)cc3)SC(=C3SC4=C(SCCS4)S3)S2)cc1 by adding a benzene ring.,Oc1ccccc1C=Nc1ccc(C2=C(c3ccc(N=C(c4ccccc4)c4ccccc4O)cc3)SC(=C3SC4=C(SCCS4)S3)S2)cc1
SubComponent,Please substitute a N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5C#N)cc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c(C#N)c1 in the molecule nitrile with a halo.,N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(Br)cc5C#N)cc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c(C#N)c1
DelComponent,Please remove a halo from the molecule CCn1cc(CC=CCCBr)cn1.,CCC=CCc1cnn(CC)c1
LogP,Modify the molecule c1ccc(-c2ccc(Nc3cccc4c3oc3cc5ccccc5cc34)cc2)cc1 to have a lower LogP value.,c1ccc(Nc2cccc3c2oc2cc4ccccc4cc23)cc1
MR,Modify the molecule COc1ccccc1CC(=O)N1CCCN(C(=O)c2ccn(C)c2)CC1 to increase its MR value.,COc1ccccc1CC(=O)N1CCN(C(=O)c2ccn(C)c2)CC(c2ccccc2)C1
QED,Modify the molecule CCCCNC(=O)C(CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 to increase its QED value.,CCCCNC(=O)C(CC)N(CF)C(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1
AtomNum,"The molecule is composed of 16 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CCCNc1cc(OCCCc2ccccc2)nc(N)n1
BondNum,"The molecule has 6 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(Br)c1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 1 amine group, 2 halo groups, and 1 sulfone group.",O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(c2ccc(F)cc2)CC1
AddComponent,Modify the molecule OCC1(Cc2ccc(Cl)s2)CCCOC1 by adding a benzene ring.,OCC1(Cc2cc(-c3ccccc3)c(Cl)s2)CCCOC1
SubComponent,Substitute a COC(=O)c1ccc(NCCC(F)(F)F)nc1OC in the molecule halo with a thiol.,COC(=O)c1ccc(NCCC(F)(F)S)nc1OC
DelComponent,Modify the molecule halo by removing a CN(CC(F)(F)F)c1c(F)cc(C#N)cc1F.,CN(CC(F)F)c1c(F)cc(C#N)cc1F
LogP,Please modify the molecule OCCCOc1cc(Cl)nc(C(F)(F)F)n1 to decrease its LogP value.,OCCCOc1cc(S)nc(C(F)(F)F)n1
MR,Modify the molecule COc1ccccc1OCCSc1nnc(-c2ccc(Cl)cc2)o1 to have a lower MR value.,COOCCSc1nnc(-c2ccc(Cl)cc2)o1
QED,Modify the molecule CCCCCCC(=O)OCCOCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC to have a higher QED value.,CCCCCCC(=O)OCCOCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CC(CCCC)C(=O)O
AtomNum,"There is a molecule consisting of 24 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CCOc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
BondNum,"There is a molecule consisting of 4 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",Nc1c[nH+]c(Oc2ccc(F)cc2)[nH]1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 1 nitro group.",Cc1c(C[NH2+]CCCCCO)cccc1[N+](=O)[O-]
AddComponent,Add a amine to the molecule CCSCCC(C)NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-].,CCSCCC(C)NS(=O)(=O)c1cc(N)cc(N)c1[N+](=O)[O-]
SubComponent,Substitute a halo in the molecule [NH3+]N1CCCN(Cc2ccc(F)cc2F)C1=O with a nitrile.,N#Cc1ccc(CN2CCCN([NH3+])C2=O)c(F)c1
DelComponent,Remove a halo from the molecule Cc1ccc(Br)cc1S(=O)(=O)[N-]c1nonc1C.,Cc1ccccc1S(=O)(=O)[N-]c1nonc1C
LogP,Please optimize the molecule CC(O)C(NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2c(CO)n1)c1ccc(F)cc1 to have a lower LogP value.,CC(O)C(NC(=O)Nc1cc2[nH]nc(F)c2c(CO)n1)c1ccc(F)cc1
MR,Optimize the molecule COc1cccc(C(=O)NCCNC(=O)c2cc(Cl)ccc2OC)c1 to have a lower MR value.,COc1cccc(C(=O)NCCNC(=O)c2ccccc2OC)c1
QED,Please optimize the molecule CCCNc1cccc(C[NH+]2CC(CO)OCC2C)n1 to have a higher QED value.,CCCc1cccc(C[NH+]2CC(CO)OCC2C)n1
AtomNum,"There is a molecule composed of 33 carbon atoms, 9 oxygen atoms, and 12 nitrogen atoms.",CC(C)CC(NC(=O)C(C)NC(=O)CNC(=O)C([NH3+])Cc1cnc[nH]1)C(=O)NC(C(=O)NC(CCCC[NH3+])C(=O)NC(Cc1cnc[nH]1)C(=O)[O-])C(C)O
BondNum,"The molecule is composed of 8 single bonds, 2 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",CCCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",COCCCCC(O)(c1cccc(Cl)c1)C1CCCN(C(=O)NC(CC2CCCCC2)C[NH+](C)C)C1
AddComponent,Modify the molecule CCCCC(C(=O)NC(CC(=O)[O-])C(=O)NC(Cc1ccccc1)C(N)=O)N(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCC)N(C)C(=O)C(Cc1ccc(O)cc1)NC(=O)C([NH3+])CC(=O)[O-] by adding a amine.,CCCCC(C(=O)NC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)C(CCCC)C(=O)NC(CC(=O)[O-])C(=O)NC(Cc1ccccc1)C(N)=O)N(C)C(=O)C(Cc1ccc(O)cc1)NC(=O)C([NH3+])CC(=O)[O-]
SubComponent,Substitute a halo in the molecule CCOc1c(Br)cc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccc(Cl)cc2)C3)cc1OC with a carboxyl.,CCOc1c(OC)cc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccc(Cl)cc2)C3)cc1C(=O)[OH]
DelComponent,Modify the molecule benzene ring by removing a CC(C)c1ccccc1NC(=O)C[NH2+]CCC(=O)[O-].,CC(C)NC(=O)C[NH2+]CCC(=O)[O-]
LogP,Optimize the molecule O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]CCN3CCOCC3)CC2)cc1 to have a lower LogP value.,O=C(CO)Nc1ccc(N2CCC([NH2+]CCN3CCOCC3)CC2)cc1
MR,Optimize the molecule Cc1ccc(-c2ccc(C(F)(F)F)cc2NC(=O)Nc2cnc(Oc3ccc(-c4cc(F)cnc4N)cc3)nc2)cn1 to have a higher MR value.,Cc1ccc(-c2ccc(C(F)(F)NO)cc2NC(=O)Nc2cnc(Oc3ccc(-c4cc(F)cnc4N)cc3)nc2)cn1
QED,Optimize the molecule CCOC(C)Oc1ccc(OC(=O)C(C)CC)cc1 to have a lower QED value.,CCOC(C)Oc1ccc(OC(=O)C(CC)CC(=O)O)cc1
AtomNum,"There is a molecule consisting of 10 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",C#CCN(CC(=O)[O-])C(=O)c1cc(Br)c[nH]1
BondNum,"The molecule is composed of 14 single bonds, 3 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC1CCCN1C(=O)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O
FunctionalGroup,"There is a molecule composed of 3 halo groups, and 1 sulfone group.",O=S(=O)(OC1=CC=CN(P)CC1)C(F)(F)F
AddComponent,Please add a thiol to the molecule CCNc1ccc([N+](=O)[O-])c(N(C)Cc2cccnc2)n1.,CCNc1nc(N(C)Cc2cccnc2)c([N+](=O)[O-])cc1S
SubComponent,Modify the molecule halo by substituting a CC(COc1ncc2nc(-c3ccc(OCc4ccccc4)c(F)c3)oc2n1)NC(=O)OC(C)(C)C with a carboxyl.,CC(COc1ncc2nc(-c3ccc(OCc4ccccc4)c(C(=O)[OH])c3)oc2n1)NC(=O)OC(C)(C)C
DelComponent,Modify the molecule amine by removing a COc1cc(N)cc(N2CCC([NH+](C)C)C2)c1.,COc1cccc(N2CCC([NH+](C)C)C2)c1
LogP,Please optimize the molecule CCCCOc1cccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(OC)c2)c1 to have a lower LogP value.,CCCCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(OC)c2)c1
MR,Please modify the molecule O=C(c1ccco1)N1CCC(c2oncc2-c2cnccn2)CC1 to increase its MR value.,O=C(c1ccco1)N1CCC(c2oncc2-c2cnccn2)C(c2ccccc2)C1
QED,Modify the molecule CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccccc1C to decrease its QED value.,CCC([NH2+]Cc1ccccc1C)c1ccccc1
AtomNum,"There is a molecule with 8 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",Cc1nnc(Sc2ccccn2)o1
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",CCCCOc1cccc(C(=O)CCCC(=O)C(F)(F)F)c1
FunctionalGroup,There is a molecule with and 1 amide group.,CC(CC[NH3+])C(=O)NC(CCC(=O)[O-])C(=O)[O-]
AddComponent,Modify the molecule O=C(NC1CC[NH+](Cc2ccc(OC3CC[NH2+]CC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 by adding a thiol.,O=C(NC1CC[NH+](Cc2ccc(OC3CC[NH2+]CC3)c(Cl)c2S)C1)c1ccc(Cl)c(Cl)c1
SubComponent,Modify the molecule N#CC(=CNc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 by substituting a halo with a nitro.,N#CC(=CNc1ccc(NO)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2
DelComponent,Please remove a benzene ring from the molecule C[NH+](C)CCCC[NH2+]Cc1ccccc1OC(F)(F)F.,C[NH+](C)CCCC[NH2+]COC(F)(F)F
LogP,Please optimize the molecule CS(=O)(=O)c1cccc(C(=O)OCCOc2ccc(C#N)cc2)c1 to have a higher LogP value.,CS(=O)(=O)c1cccc(C(=O)OCCOc2ccc(F)cc2)c1
MR,Please modify the molecule O=C(Nc1cccc(Br)c1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1 to decrease its MR value.,O=C(Nc1cccc(O)c1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1
QED,Modify the molecule CCCCCC(C)C(=O)NC1C(OC2OC(CO)C(O)C(C)C2C)C(O)C(OC2OC(CNC(=O)OCc3ccccc3)CCC2C)C(NC(=O)OCc2ccccc2)C1OCc1ccccc1 to increase its QED value.,CCCCC(C)C1C(OC2OC(CO)C(O)C(C)C2C)C(O)C(OC2OC(CNC(=O)OCc3ccccc3)CCC2C)C(NC(=O)OCc2ccccc2)C1OCc1ccccc1
AtomNum,"Please generate a molecule with 24 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",CC(C)(F)C(c1cc(F)cc(F)c1)C1C[NH+](C(c2ccc(Cl)cc2)c2nc(C#N)cs2)C1
BondNum,"There is a molecule consisting of 19 single bonds, 4 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(=O)NCC1C=C(c2ccc(N3CCN(C(C)=O)CC3)c(F)c2)C(=O)O1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 hydroxyl group, 2 amide groups, and 1 halo group.",CCCCCN(C(=O)C(CO)NC(=O)OC(C)(C)C)C(C(=O)Nc1c(C)cccc1Cl)c1ccc(C)cc1C
AddComponent,Add a benzene ring to the molecule O=C(CCl)c1cc(-c2ccccc2)c(N(c2ccccc2)c2ccccc2)s1.,O=C(CCl)c1cc(-c2cccc(-c3ccccc3)c2)c(N(c2ccccc2)c2ccccc2)s1
SubComponent,Modify the molecule COc1ccc(-c2csc(NC(=O)CCCOc3cccc(Br)c3)n2)cc1OC by substituting a halo with a hydroxyl.,COc1ccc(-c2csc(NC(=O)CCCOc3cccc(O)c3)n2)cc1OC
DelComponent,Modify the molecule hydroxyl by removing a O=C(C1=C(Nc2ccccc2O)c2ccccc2CC1)C(F)(F)F.,O=C(C1=C(Nc2ccccc2)c2ccccc2CC1)C(F)(F)F
LogP,Please modify the molecule C#Cc1ccccc1C(C(=O)NCC(=O)OC)N(CCO)C(=O)C(CS)NC(=O)OC(C)(C)C to decrease its LogP value.,C#Cc1ccccc1C(C(=O)NCC(=O)OC)N(CCO)C(=O)C(CC(=O)[OH])NC(=O)OC(C)(C)C
MR,Please optimize the molecule CCC1(C(=O)N(CC(=O)[O-])C2CCCC2)CC[NH2+]CC1 to have a higher MR value.,O=C([O-])CN(C(=O)C1(CCc2ccccc2)CC[NH2+]CC1)C1CCCC1
QED,Optimize the molecule CN(CC([NH3+])c1ccccc1C(F)(F)F)CC(C)(C)C to have a lower QED value.,CN(CC([NH3+])C(F)(F)F)CC(C)(C)C
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC=Cc1ccccc1Oc1ncccc1C[NH2+]C1CC1
BondNum,"There is a molecule consisting of 14 single bonds, 3 double bonds, 1 triple bond, 8 rotatable bonds, and 23 aromatic bonds.",CNC(=O)c1ccc(NC(=O)C(Cc2cnco2)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cn1
FunctionalGroup,"Please generate a molecule composed of 1 amine group, and 1 nitrile group.",CC1CCC(CNCC#N)C1
AddComponent,Add a benzene ring to the molecule Cn1[nH]c(=O)c(=O)nc1Sc1cc(N)cc([N+](=O)[O-])c1.,Cn1[nH]c(=O)c(=O)nc1Sc1cc(N)c(-c2ccccc2)c([N+](=O)[O-])c1
SubComponent,Modify the molecule hydroxyl by substituting a C[NH+](C)C1(c2cccc(Cl)c2)CCC2(CC1)CNC(O)[NH2+]2 with a nitrile.,C[NH+](C)C1(c2cccc(Cl)c2)CCC2(CC1)CNC(C#N)[NH2+]2
DelComponent,Please remove a amine from the molecule Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCC1(O)CCSC1.,Cc1nn(CC(C)C)c(C)c1S(=O)(=O)CC1(O)CCSC1
LogP,Optimize the molecule Cn1ccnc1C(Nc1cc(Br)ccc1Cl)c1cccs1 to have a lower LogP value.,Cn1ccnc1C(Nc1cc(S)ccc1Cl)c1cccs1
MR,Modify the molecule O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cc(=O)n2ccsc2n1 to increase its MR value.,CC(=O)c1cc(C(F)(F)F)cn(Cc2cc(=O)n3ccsc3n2)c1=O
QED,Modify the molecule CCC([NH3+])C(Oc1ccc(Br)cc1C)c1cccc(F)c1 to have a higher QED value.,CCC([NH3+])C(Oc1ccc(Br)cc1C)c1ccccc1
AtomNum,"The molecule is composed of 13 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CC1CN(C(=O)C2CC2C(=O)[O-])CC2(CCOC2)O1
BondNum,"There is a molecule composed of 17 single bonds, 3 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",COc1cc(C=NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 amine group.",NC(=O)COc1ccc(N)cc1
AddComponent,Add a nitrile to the molecule COc1ccc(C(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2)cc1.,N#CCOc1ccc(C(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2)cc1
SubComponent,Substitute a COCC[NH+](CCOC)C1CCC(O)C1 in the molecule hydroxyl with a nitrile.,COCC[NH+](CCOC)C1CCC(C#N)C1
DelComponent,Please remove a Cc1ccc(C(O)=C2C(=[NH2+])N(c3ccccc3)C3=C(C(=O)CCC3)C2c2cccs2)cc1 from the molecule amine.,Cc1ccc(C(O)=C2CN(c3ccccc3)C3=C(C(=O)CCC3)C2c2cccs2)cc1
LogP,Optimize the molecule C[NH2+]CC1(C[NH+]2CCOC(CO)C2)CCCC(C)C1 to have a lower LogP value.,C[NH2+]CC1(C[NH+]2CCOC(CO)C2N)CCCC(C)C1
MR,Please modify the molecule CC(C)c1[nH]nc(C(=O)NC2(c3ccc(F)cc3)CCCC2)c1Br to decrease its MR value.,CC(C)c1[nH]nc(C(=O)NC2(F)CCCC2)c1Br
QED,Modify the molecule CC1CCN(C(=O)c2ccc3[nH]ccc3c2)C1CO to decrease its QED value.,CC1CCN(C(=O)c2ccc3[nH]ccc3c2)C1CBr
AtomNum,"The molecule contains 23 carbon atoms, 6 oxygen atoms, and 5 nitrogen atoms.",CCC(=O)NC(C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(C)=O)cc1)C(C)C
BondNum,"There is a molecule with 9 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",COCCOc1ccccc1C(O)c1cc(C)ccn1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amine group.",Cc1cc(N2CC(C)OC(C)C2C)c(C)cc1NCCCCC[NH3+]
AddComponent,Add a benzene ring to the molecule Cc1nn(C)c2c1nc(CCCl)n2C(C)c1nccs1.,Cc1nn(C)c2c1nc(CCCl)n2C(C)c1ncc(-c2ccccc2)s1
SubComponent,Please substitute a CCN1C(=CC=C(Cl)C=Cc2oc3ccc(-c4ccccc4)cc3[n+]2CC)Oc2ccc(-c3ccccc3)cc21 in the molecule halo with a hydroxyl.,CCN1C(=CC=C(O)C=Cc2oc3ccc(-c4ccccc4)cc3[n+]2CC)Oc2ccc(-c3ccccc3)cc21
DelComponent,Please remove a halo from the molecule COc1ccc(Br)cc1CC(=O)C1CCCC1[NH3+].,COc1ccccc1CC(=O)C1CCCC1[NH3+]
LogP,Please optimize the molecule COCCN(CC(=O)Nc1[nH+]c(-c2ccc(C)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccc2c(c1)OCO2 to have a lower LogP value.,COCCN(CC(=O)Nc1[nH+]c(-c2ccc(C)cc2)cn1C)C(=O)c1ccc2c(c1)OCO2
MR,Please optimize the molecule C=CCCCC(O)CCOCCOC to have a higher MR value.,C=CCCCC(O)(CCOCCOC)c1ccccc1
QED,Modify the molecule COc1cc(C(=O)N2CC3(CC(O)C3)C2)c(Cl)cc1Nc1nccc(-c2cc(C#N)c3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)n1 to decrease its QED value.,COc1cc(C(=O)N2CC3(CC(O)C3)C2)c(S)cc1Nc1nccc(-c2cc(C#N)c3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)n1
AtomNum,"Please generate a molecule with 21 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCOc1ccc2nc(NC(=O)C(CC)OC(=O)c3cccc4ocnc34)sc2c1
BondNum,"There is a molecule with 16 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1cccc(C2=NCC(=O)N3CCc4c(C[NH+](C)C)cccc4C3=C2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 nitrile group.",COc1cccc(C[NH2+]C=C(C#N)C(=O)N2CC[NH+](C)CC2)c1
AddComponent,Modify the molecule COCC(C)NC(N)=[NH+]CC1(c2cccc(Br)c2)CCCC1 by adding a benzene ring.,COCC(Cc1ccccc1)NC(N)=[NH+]CC1(c2cccc(Br)c2)CCCC1
SubComponent,Substitute a C=CC(c1ccccc1)C1(O)C(=O)N(C(C)=O)c2ccccc21 in the molecule hydroxyl with a thiol.,C=CC(c1ccccc1)C1(S)C(=O)N(C(C)=O)c2ccccc21
DelComponent,Modify the molecule CCOc1ccc(Oc2c(Cl)cccc2C=O)cc1 by removing a benzene ring.,CCOc1ccc(OC(=O)Cl)cc1
LogP,Modify the molecule CN(C)C(=O)C[NH+]=C(NCC1CCCCC1)NC1C2CCCOC2C1(C)C to have a lower LogP value.,CN(C)C(=O)C[NH+]=C(NCC1CCCCC1O)NC1C2CCCOC2C1(C)C
MR,Modify the molecule COc1ccc2nccc(C(O)CC(C3CC(c4cccc(F)c4F)C3)C3CC[NH2+]CC3C(=O)[O-])c2c1 to have a higher MR value.,COc1ccc2nccc(C(O)CC(C3CC(c4cccc(C#N)c4F)C3)C3CC[NH2+]CC3C(=O)[O-])c2c1
QED,Modify the molecule CC[Si](CC)(CC)OC1C(OC(C)=O)C2=C(C)C(O)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC4CC413)C2(C)C to have a lower QED value.,CC[Si](CC)(CC)OC1C(OC(C)=O)C2=C(C)C(I)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC4CC413)C2(C)C
AtomNum,"The molecule contains 36 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",C=Cc1c(C)c2cc3nc(cc4nc(cc5c(C=C)c(C)c(cc1[nH]2)n5CC)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C
BondNum,"The molecule contains 18 single bonds, 2 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",CCCCCOc1ccc(C2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(CC)cc2)cc1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, and 2 amine groups.",C1=CC2=C(c3cccc(-c4ccc(-c5ccccc5)cc4)c3)NNC2C=C1
AddComponent,Please add a hydroxyl to the molecule Cc1cccc(C(=O)N(C)C)c1NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N3CCCC(C)C3)c2)CC1.,Cc1cccc(C(=O)N(C)C)c1NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N3CCCC(C)C3)c2O)CC1
SubComponent,Substitute a hydroxyl in the molecule CC=C1CN(B(C)O)c2cc(OCc3ccccc3)c3ncc(C(=O)OC)cc3c2[I-]1 with a thiol.,CC=C1CN(B(C)S)c2cc(OCc3ccccc3)c3ncc(C(=O)OC)cc3c2[I-]1
DelComponent,Please remove a benzene ring from the molecule COc1ccc(C=CC=C2C(=O)NC(=O)N(c3ccncc3)C2=O)cc1.,COC=CC=C1C(=O)NC(=O)N(c2ccncc2)C1=O
LogP,Modify the molecule CC[NH+](CC)CCc1noc(C2CCC([NH3+])C2)n1 to have a lower LogP value.,CC[NH+](CC)CCc1noc(C2CCC([NH3+])(O)C2)n1
MR,Please optimize the molecule O=C(Nc1ccccc1)N1CCC(Oc2nc3ccccc3s2)CC1 to have a lower MR value.,NC(=O)N1CCC(Oc2nc3ccccc3s2)CC1
QED,Please optimize the molecule CC1CN(C(=O)C2COc3ccccc3C2)CC1C(=O)[O-] to have a lower QED value.,CC1C(C(=O)[O-])CC1C1COc2ccccc21
AtomNum,"The molecule consists of 13 carbon atoms, 3 oxygen atoms, and 1 bromine atom.",O=C([O-])c1ccc(OCC2CCCC2)c(Br)c1
BondNum,"The molecule contains 17 single bonds, 6 rotatable bonds, and 18 aromatic bonds.",COc1cc(N2CCOCC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2cccnc2)n1
FunctionalGroup,"The molecule consists of 4 hydroxyl groups, 22 amide groups, 9 amine groups, 6 thioether groups, 3 sulfide groups, and 3 disulfide groups.",CC(C)CC1NC(=O)C2CC(O)CN2C(=O)C(CCCC[NH3+])NC(=O)C2CSSCC(NC(=O)C(CC(=O)[O-])NC(=O)C([NH3+])CCCNC(N)=[NH2+])C(=O)NC3CSSCC(NC(=O)C(CCCC[NH3+])NC1=O)C(=O)NC(C(=O)NC(C)C(N)=O)CSSCC(NC(=O)C(CCCC[NH3+])NC(=O)C(CCCC[NH3+])NC(=O)C1CC(O)CN1C(=O)C1CC(O)CN1C(=O)C(C(C)O)NC3=O)C(=O)NC(CCCC[NH3+])C(=O)NC(CC(=O)[O-])C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CCCNC(N)=[NH2+])C(=O)N2
AddComponent,Please add a amine to the molecule O=C1C[NH+]=C(c2ccc(O)c(O)c2)N1.,NC1[NH+]=C(c2ccc(O)c(O)c2)NC1=O
SubComponent,Substitute a halo in the molecule FC(F)c1cc2c(cc1C1CC[NH2+]C1)OCO2 with a nitro.,ONC(F)c1cc2c(cc1C1CC[NH2+]C1)OCO2
DelComponent,Remove a O=C(Cc1ccc(S(=O)(=O)NC2CCC2)cc1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 from the molecule halo.,O=C(Cc1ccc(S(=O)(=O)NC2CCC2)cc1)Nc1ccc(C(O)(C(F)F)C(F)(F)F)cc1
LogP,Please optimize the molecule CC(C)C(C[NH3+])Nc1cccc(Cl)c1C(N)=O to have a lower LogP value.,CC(C)C(C[NH3+])Nc1ccccc1C(N)=O
MR,Modify the molecule CCNc1ccc(C(N)=O)c(N)c1 to have a lower MR value.,CCNNC(N)=O
QED,Modify the molecule O=C(CCNc1cccc(Cl)c1Cl)Nc1ccc(N2CCCC2)cc1 to increase its QED value.,Clc1cccc(NCc2ccc(N3CCCC3)cc2)c1Cl
AtomNum,"The molecule consists of 21 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1ccc(Cn2ccc(=O)n(CC(=O)Nc3cccc(C)c3)c2=O)cc1
BondNum,"There is a molecule with 5 single bonds, 3 double bonds, 4 rotatable bonds, and 17 aromatic bonds.",O=Cc1ccc([N+](=O)[O-])cc1C(=O)c1cccc2ccccc12
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 3 halo groups, and 1 nitrile group.",CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1
AddComponent,Modify the molecule COc1ccc(C[NH+]2CCCC2C(C)(C)O)c(Cl)c1 by adding a benzene ring.,COc1ccc(C[NH+]2CCCC2C(C)(C)O)c(Cl)c1-c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule Cc1c2c(c3ccccc3c1O)N(CCC[NH+](C)C)C([NH2+]C1CCCCC1)S2 with a nitrile.,Cc1c2c(c3ccccc3c1C#N)N(CCC[NH+](C)C)C([NH2+]C1CCCCC1)S2
DelComponent,Modify the molecule benzene ring by removing a CN(C)C(=O)NCCCOCc1ccccc1.,COCCCNC(=O)N(C)C
LogP,Optimize the molecule CSc1nnc(CCC[NH+]=C(N)NC(C)c2ccc(Cl)cc2Cl)n1CC(C)C to have a higher LogP value.,CSc1nnc(CCC[NH+]=C(N)C(C)c2ccc(Cl)cc2Cl)n1CC(C)C
MR,Please modify the molecule CCOC(=O)C(c1cc(Br)c(Br)s1)N1CC[NH2+]CC1 to decrease its MR value.,CCOC(=O)C(c1ccc(Br)s1)N1CC[NH2+]CC1
QED,Modify the molecule CC(C)=CCCC(C)=CCCC(C)=CCN1C(=O)CCC1=O to have a higher QED value.,CC(=O)CC=C(C)CCC=C(C)CCC=C(C)C
AtomNum,"The molecule is composed of 22 carbon atoms, 4 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",COC(=O)Nc1ccc(-c2nc(CC(NC(=O)OC(C)(C)C)c3cnn(C)c3)[nH]c2Cl)cc1
BondNum,"The molecule consists of 23 single bonds, 3 double bonds, 11 rotatable bonds, and 6 aromatic bonds.",CCCCCNC(=O)C(c1ccccc1)N(CC)C(=O)C(NC(=O)OC(C)(C)C)C(C)C
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 2 halo groups, and 1 sulfide group.",OC(c1csc(I)c1)c1cc2c(cc1Cl)OCCCO2
AddComponent,Please add a carboxyl to the molecule CCC[NH2+]C1CC(CC(C)(C)C)Oc2ccccc21.,CCC[NH2+]C1c2ccccc2OC(CC(C)(C)C)C1C(=O)O
SubComponent,Please substitute a halo in the molecule COC(=O)c1c(O)cccc1OCCCCCNC(=O)C(Cc1ccc(C2CC(=O)[N+]([O-])(O)S2)c(Br)c1)NS(=O)(=O)c1ccccc1 with a nitro.,COC(=O)c1c(O)cccc1OCCCCCNC(=O)C(Cc1ccc(C2CC(=O)[N+]([O-])(O)S2)c(NO)c1)NS(=O)(=O)c1ccccc1
DelComponent,Remove a amide from the molecule CC(C)CC(=O)N1Cc2ccccc2CC1C(=O)N1CCCC(C(C)[NH3+])C1.,CC([NH3+])C1CCCN(C(=O)C2(C(C)C)Cc3ccccc3C2)C1
LogP,Optimize the molecule NC(=S)Cc1ccc(NC(=O)c2ccncc2O)cc1 to have a higher LogP value.,NC(=S)Cc1ccc(NC(=O)c2ccncc2Cl)cc1
MR,Optimize the molecule CO[Si](CCCNC(=O)OC(C)=C(C)C)(OC)OC to have a higher MR value.,CO[Si](OC)(OC)C(O)CCNC(=O)OC(C)=C(C)C
QED,Optimize the molecule Cc1ccn(-c2ccc(OC(C)C)cc2)c(=O)c1C#N to have a lower QED value.,Cc1ccn(-c2ccc(OC(C)C)cc2)c(=O)c1NO
AtomNum,"Please generate a molecule consisting 12 carbon atoms, and 1 nitrogen atom.",C=CC1C[NH+]2CCC1CC2CCC
BondNum,"Please generate a molecule consisting 8 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",CC(=O)c1cccc(Nc2ccnc(Nc3cccc(C)c3C)n2)c1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1cccc(C(=O)NC2CCCCC2C)c1NC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)Nc3ccc(F)c(F)c3)c2C)CC1
AddComponent,Add a hydroxyl to the molecule O=S(=O)(C1CCOC1)N1Cc2ccccc2C2(CC2)C1.,O=S(=O)(C1CCOC1)N1Cc2cccc(O)c2C2(CC2)C1
SubComponent,Substitute a CC(=O)Nc1ccc(NCc2cc(Cl)ccc2O)cc1Cl in the molecule halo with a hydroxyl.,CC(=O)Nc1ccc(NCc2cc(O)ccc2O)cc1Cl
DelComponent,Modify the molecule CC(C)(c1ccccc1)c1ccc(OC(F)C(=O)[O-])cc1 by removing a benzene ring.,CC(C)c1ccc(OC(F)C(=O)[O-])cc1
LogP,Modify the molecule CCC(NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 to decrease its LogP value.,CCC(NC(=O)CN(c1cc(CC=O)c(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
MR,Optimize the molecule CCC1CCCC(N2C(=O)C(C)(CC)[NH2+]C2C)C1 to have a lower MR value.,CC[NH2+]C(C)CC1CCCC(CC)C1
QED,Please optimize the molecule CCOc1ccc(C=c2sc3n(c2=O)C(c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1Cl to have a higher QED value.,CCOc1ccc(C=c2sc3n(c2=O)C(c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1
AtomNum,"Please generate a molecule with 16 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",CCn1nncc1C(=O)N1CCCC1Cc1cccc(F)c1
BondNum,"The molecule consists of 19 single bonds, and 11 rotatable bonds.",CC[NH2+]C(CC[NH+](CCOC)C(C)COC)C(C)(C)C
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 hydroxyl group, and 2 amide groups.",CC(=O)Nc1ccccc1C(=O)NN=Cc1ccc(O)cc1
AddComponent,Please add a hydroxyl to the molecule COc1c(C)cc(C)cc1C1[NH2+]CCc2c1[nH]c1ccc(Cl)cc21.,COc1c(C)cc(C)c(O)c1C1[NH2+]CCc2c1[nH]c1ccc(Cl)cc21
SubComponent,Please substitute a Cc1ccc(-c2nnc(SCC(=O)NCCC#N)n2-c2ccc(Cl)cc2)cc1 in the molecule halo with a nitro.,Cc1ccc(-c2nnc(SCC(=O)NCCC#N)n2-c2ccc(NO)cc2)cc1
DelComponent,Modify the molecule halo by removing a C#CCCn1ccc2c(Br)cccc21.,C#CCCn1ccc2ccccc21
LogP,Optimize the molecule CC(CCO)(NC(=S)NC(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1F to have a higher LogP value.,CCC(C)(NC(=S)NC(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1F
MR,Please modify the molecule COCC[NH2+]CC(=O)NCCCCC(F)(F)F to increase its MR value.,COCC[NH2+]CC(=O)NCCCC(O)C(F)(F)F
QED,Please modify the molecule CN(C)C(=O)C(NC(=S)NC1CCCCC1NC(=O)C(C)(C)C)C(C)(C)C to increase its QED value.,CN(C)C(=O)C(NC(=S)C1CCCCC1NC(=O)C(C)(C)C)C(C)(C)C
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",Cc1cc(Cl)nc(NC(=O)C2(C)CCCO2)n1
BondNum,"The molecule is composed of 9 single bonds, 1 double bond, and 4 rotatable bonds.",CCCC(O)(O)C(O)(O)C=O
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, and 1 amine group.",Nc1cnc(C[NH+](CCO)C2CC2)cn1
AddComponent,Modify the molecule CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(C(=O)COc2ccccc2)CC1 by adding a benzene ring.,CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1
SubComponent,Substitute a halo in the molecule CC(Cl)CS(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 with a aldehyde.,CC(=O)C(C)CS(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1
DelComponent,Remove a benzene ring from the molecule COc1ccc(Cn2c(SCc3nc(-c4ccc(Cl)cc4)oc3C)nc3ccccc3c2=O)cc1.,COCn1c(SCc2nc(-c3ccc(Cl)cc3)oc2C)nc2ccccc2c1=O
LogP,Modify the molecule CCCc1ccccc1NCc1cccc(C(N)=[NH+]O)c1 to have a lower LogP value.,CCCc1ccccc1NCC(N)=[NH+]O
MR,Please optimize the molecule COc1cc(C=CC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)ccc1OCC#N to have a lower MR value.,COc1cc(C=CC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)ccc1OCF
QED,Optimize the molecule CC(C)(C)c1nsc(Oc2ccc(-c3noc(C4CCCO4)n3)cc2)n1 to have a higher QED value.,CC(C)(C)c1nsc(Oc2noc(C3CCCO3)n2)n1
AtomNum,"There is a molecule composed of 35 carbon atoms, and 2 iodine atoms.",CCC(CC)CCC1(C(C)I)CCC1CCC(C)(C)C1CC(C(C)C)C12C(CC)CC(C(C)C)C2(C)I
BondNum,"The molecule contains 10 single bonds, 1 double bond, and 5 rotatable bonds.",CC(O)CC(=O)CC(O)C(C)C
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 2 thioether groups, and 1 sulfide group.",COc1ccc(CCCNC(=O)CCSCc2ccccc2)cc1
AddComponent,Add a benzene ring to the molecule CCc1nc(C[NH2+]CC(O)c2ccccc2F)cs1.,CCc1nc(C[NH2+]CC(O)c2c(F)cccc2-c2ccccc2)cs1
SubComponent,Substitute a hydroxyl in the molecule COc1cc2[nH]c(=O)n(C(C)(C)CO)c2cc1OC with a aldehyde.,CC(=O)CC(C)(C)n1c(=O)[nH]c2cc(OC)c(OC)cc21
DelComponent,Remove a benzene ring from the molecule CC(C)(C)OC(=O)OCc1ccc2ccc3c(c2c1)C(c1cccc(I)c1)c1c(ccc2ccc(COC(=O)OC(C)(C)C)cc12)O3.,CC(C)(C)OC(=O)OCc1ccc2ccc3c(c2c1)C(I)c1c(ccc2ccc(COC(=O)OC(C)(C)C)cc12)O3
LogP,Modify the molecule CCN=C(N[NH3+])N1CCSCCC1C to increase its LogP value.,CCN=C([NH3+])N1CCSCCC1C
MR,Please modify the molecule OCCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 to decrease its MR value.,CCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1
QED,Please modify the molecule Cc1ccc(N2C(=O)C3C4C=CC(CC4)C3C2=O)cc1Br to decrease its QED value.,CC(=O)c1cc(N2C(=O)C3C4C=CC(CC4)C3C2=O)ccc1C
AtomNum,"The molecule consists of 16 carbon atoms, 3 nitrogen atoms, and 1 chlorine atom.",CC[NH2+]C(Cc1c(Cl)c(C)nn1CC)C1CCCC1C
BondNum,"There is a molecule consisting of 9 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC[NH+](C)CC(=O)Nc1cc(F)ccc1N
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, 2 amide groups, and 1 halo group.",C=CCN(C(=O)C1N(CCCO)C(=O)C2C(C(=O)[O-])C3CCC21O3)c1ccccc1Cl
AddComponent,Add a nitrile to the molecule CCOc1ccc(NC(=O)C(C)OC(=O)c2ccccc2SCC(C)=O)cc1.,CCOc1ccc(NC(=O)C(C)OC(=O)c2ccccc2SC(C#N)C(C)=O)cc1
SubComponent,Substitute a halo in the molecule O=C1COc2ccccc2N1CC1(CBr)CCCCCC1 with a thiol.,O=C1COc2ccccc2N1CC1(CS)CCCCCC1
DelComponent,Remove a amine from the molecule COc1ccccc1CC(NN)c1cscc1Br.,COc1ccccc1CC(N)c1cscc1Br
LogP,Modify the molecule Cn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl to have a lower LogP value.,Cn1c(CCCOc2ccc(C#N)cc2Cl)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl
MR,Modify the molecule CC(C)(C)NC(=O)c1ccc(Br)cn1 to increase its MR value.,CC(C)(CO)NC(=O)c1ccc(Br)cn1
QED,Optimize the molecule N#Cc1ccccc1NC(=O)C1(C#N)COC1 to have a lower QED value.,N#Cc1ccccc1NC(=O)C1COC1
AtomNum,"The molecule contains 9 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 chlorine atoms.",CCC(CNC(=O)C(Cl)Cl)(C(C)=O)C(=O)[O-]
BondNum,"The molecule consists of 9 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",COc1cc(C)c(Cl)cc1-c1cc(C(C)[NH3+])c(=O)n(C)n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 nitrile group.",N#Cc1ccc(C2([NH3+])CCCCCC2)cc1
AddComponent,Modify the molecule C[NH+]1CCN(C(=O)c2cn(-c3ccccc3)c(-c3ccccc3)[nH+]2)CC1 by adding a hydroxyl.,C[NH+]1CCN(C(=O)c2cn(-c3ccccc3O)c(-c3ccccc3)[nH+]2)CC1
SubComponent,Substitute a halo in the molecule Cc1ccc(Nc2ncnc(Cl)c2N)cc1C(F)(F)F with a nitro.,Cc1ccc(Nc2ncnc(NO)c2N)cc1C(F)(F)F
DelComponent,Remove a CCCCCCCC1(CCCCCCC)COc2c(Br)sc(-c3ccc(-c4sc(Br)c5c4OCC(CCCCCCC)(CCCCCCC)CO5)c4nsnc34)c2OC1 from the molecule halo.,CCCCCCCC1(CCCCCCC)COc2csc(-c3ccc(-c4sc(Br)c5c4OCC(CCCCCCC)(CCCCCCC)CO5)c4nsnc34)c2OC1
LogP,Modify the molecule CC(C)(COCc1ccccc1)C(O)CO to increase its LogP value.,CC(O)C(C)(C)COCc1ccccc1
MR,Please optimize the molecule COc1cc(-c2csc(=Nc3ccccc3)n2N=C2C(=O)N(C)c3ccccc32)cc(OC)c1OC to have a lower MR value.,COc1cc(-c2csc(=N)n2N=C2C(=O)N(C)c3ccccc32)cc(OC)c1OC
QED,Modify the molecule CCCN(CC1CCC[NH2+]1)C(=O)c1cccc(C#N)c1 to increase its QED value.,CCCN(CC1CCC[NH2+]1)C(=O)c1cccc(Br)c1
AtomNum,"Please generate a molecule with 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 fluorine atom.",CCC1OCCC1C([NH3+])c1cc(F)ccc1C
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",CCc1nc(C2CCC[NH+]2CC=C(C)C)no1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 amine groups, 1 halo group, 2 thioether groups, and 1 sulfide group.",CSC1(CNc2ccc(F)c(N)c2C(=O)[O-])CCCCC1
AddComponent,Add a carboxyl to the molecule CCCC1Oc2ccc(C#N)cc2C2OC12.,N#Cc1ccc2c(c1)C1OC1C(CCCC(=O)O)O2
SubComponent,Substitute a hydroxyl in the molecule COc1ccc(CN(C(=O)C=CC(=O)[O-])c2cccc(Cl)c2C(O)c2cccc(OC)c2OC)c(OC)c1 with a halo.,COc1ccc(CN(C(=O)C=CC(=O)[O-])c2cccc(Cl)c2C(Cl)c2cccc(OC)c2OC)c(OC)c1
DelComponent,Remove a benzene ring from the molecule O=C([O-])c1nsc2c1CC(c1ccccc1)CC2.,O=C([O-])c1nsc2c1CCCC2
LogP,Please modify the molecule CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(=O)[O-])CC3)nc2)cc2c1ccn2C(C)CC to decrease its LogP value.,CCCc1cc(C)[nH]c(=O)c1Cc12ccn(C(C)CC)c1cc(-c1ccc(N3CCN(C(=O)[O-])CC3)nc1)c-2
MR,Modify the molecule C=CC[NH2+]CCNCCC[Si](OCC)(OCC)OCC to increase its MR value.,C=CC[NH2+]CCNCCC(c1ccccc1)[Si](OCC)(OCC)OCC
QED,Optimize the molecule O=C([O-])c1ccccc1CC(=O)N1CCSCC1c1ccccc1 to have a lower QED value.,O=C([O-])CC(=O)N1CCSCC1c1ccccc1
AtomNum,"The molecule consists of 18 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1ccc(-n2nc(C)cc2NC(=O)c2cc(C)oc2C)cc1
BondNum,"The molecule consists of 4 single bonds, 2 double bonds, 2 rotatable bonds, and 11 aromatic bonds.",CC(O)Cn1c(=O)[nH]c(=O)c2ccccc21
FunctionalGroup,"There is a molecule with 1 ester group, and 2 amine groups.",CCOC(=O)C(CON)ON
AddComponent,Modify the molecule C#CCCCC([NH2+]C)C1C2CCc3ccccc3C21 by adding a aldehyde.,C#CCCCC([NH2+]C)C1C2CCc3ccccc3C21CC=O
SubComponent,Modify the molecule halo by substituting a CC(C)(C)c1cc(C(=O)NCCc2cscn2)cc(Cl)n1 with a hydroxyl.,CC(C)(C)c1cc(C(=O)NCCc2cscn2)cc(O)n1
DelComponent,Please remove a halo from the molecule CN(CC(COc1ccccc1)OC(=O)c1ccc(Br)cc1)C1=[NH+]Cc2ccccc21.,CN(CC(COc1ccccc1)OC(=O)c1ccccc1)C1=[NH+]Cc2ccccc21
LogP,Modify the molecule Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)CC(N)=O)c1Cl to decrease its LogP value.,Cc1cc(C(=O)[OH])c(C)c(S(=O)(=O)N(C)CC(N)=O)c1Cl
MR,Please optimize the molecule CCCCCNC(=O)NC(CO)C(=O)[O-] to have a lower MR value.,CCCCCNC(=O)NC(CF)C(=O)[O-]
QED,Modify the molecule CN(C)CC[NH+](C)CC1C[NH+](Cc2ccc(F)cc2Cl)CC1CO to have a lower QED value.,CN(C)CC[NH+](C)CC1C[NH+](Cc2cc(C#N)c(F)cc2Cl)CC1CO
AtomNum,"Please generate a molecule with 18 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1C
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",CNc1ccc(OCC(=O)Nc2nnc(C)o2)cc1
FunctionalGroup,"There is a molecule composed of 1 amine group, 2 thioether groups, 1 sulfide group, and 1 sulfoxide group.",CCS(=O)CCNC1CSCC(C)(C)C1
AddComponent,Add a benzene ring to the molecule Cc1cn2nc(C3CCCCN3C(=O)c3cccc(F)c3C)cc2nc1N1CCC(C#N)C1.,Cc1cn2nc(C3CCCCN3C(=O)c3c(-c4ccccc4)ccc(F)c3C)cc2nc1N1CCC(C#N)C1
SubComponent,Substitute a Clc1cccc(C[NH+]2CC(CBr)C2)c1 in the molecule halo with a aldehyde.,CC(=O)c1cccc(C[NH+]2CC(CBr)C2)c1
DelComponent,Modify the molecule CCC(COCC(O)CN1C(=O)NC2(CC(C)(C)[NH+](C)C(C)(C)C2)C1=O)OCC(O)CN1C(=O)NC2(CC(C)(C)[NH+](C)C(C)(C)C2)C1=O by removing a amide.,CCC(COCC(O)CN1C(=O)NC2(CC(C)(C)[NH+](C)C(C)(C)C2)C1=O)OCC(O)CC1C(NC=O)C(C)(C)[NH+](C)C1(C)C
LogP,Modify the molecule Cc1ccc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1F to decrease its LogP value.,Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1F
MR,Please optimize the molecule CC(C)(C)OC(=O)NOC(=O)C1CCC(O)CC1 to have a higher MR value.,CC(C)(C)OC(=O)NOC(=O)C1CCC(NO)CC1
QED,Modify the molecule COCC(CCl)NS(=O)(=O)c1ccc(OC)cc1 to decrease its QED value.,COCC(CCl)NS(=O)(=O)OC
AtomNum,"Please generate a molecule with 17 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 1 sulfur atom.",Cc1nc(C(C)NC(=O)C[NH+]2CCN(c3ncccn3)CC2)c(C)s1
BondNum,"Please generate a molecule consisting 9 single bonds, 1 triple bond, 2 rotatable bonds, and 11 aromatic bonds.",CC(N(C)c1nc2ccccc2cc1C#N)C(C)(C)C
FunctionalGroup,The molecule has and 1 benzene ring group.,COc1cccc(CNC(=O)NCCCC(C)C(=O)[O-])c1
AddComponent,Modify the molecule c1ccc(-c2ccc(-c3cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cn2)cc1 by adding a benzene ring.,c1ccc(-c2ccc(-c3cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)c3)cn2)cc1
SubComponent,Modify the molecule nitrile by substituting a COCc1c(C#N)nnn1C12CC3CC(CC(C3)C1)C2 with a aldehyde.,CC(=O)c1nnn(C23CC4CC(CC(C4)C2)C3)c1COC
DelComponent,Modify the molecule NC(=S)c1ccnnc1N(Cc1ccsc1)C1CC1 by removing a amine.,S=Cc1ccnnc1N(Cc1ccsc1)C1CC1
LogP,Optimize the molecule Cc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)N(CC[NH+](C)C)Cc3ccccc3F)CC2)cc1 to have a higher LogP value.,Cc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)N(CC[NH+](C)C)Cc3ccccc3S)CC2)cc1
MR,Modify the molecule CCC(C)NC(=O)COc1cc(F)c(S(N)(=O)=O)cc1Br to have a higher MR value.,CCC(C)NC(=O)COc1cc(C(=O)[OH])c(S(N)(=O)=O)cc1Br
QED,Modify the molecule Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl to increase its QED value.,Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl
AtomNum,"There is a molecule with 32 carbon atoms, and 6 oxygen atoms.",CCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C(C)C3(O)CC(O)C(C)=CC3C(=O)O1)O2
BondNum,"The molecule is composed of 12 single bonds, 3 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",CCOC(=O)c1sc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1C
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 2 hydroxyl groups, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",CCOc1cc(C2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc(Cl)c1O
AddComponent,Please add a hydroxyl to the molecule CC(C)c1cc(C(C)C)c(S(=O)(=O)C(c2ccc(C(F)(F)F)cc2)C(C)(OC(=O)c2ccccc2)C(N)=O)c(C(C)C)c1.,CC(C)c1cc(C(C)C)c(S(=O)(=O)C(c2ccc(C(F)(F)F)c(O)c2)C(C)(OC(=O)c2ccccc2)C(N)=O)c(C(C)C)c1
SubComponent,Substitute a O=C(NC(C[NH+]1CCCC1)C(O)c1ccc(OC2CC2)c(Cl)c1)C(F)(F)c1ccc(-c2ccc(F)cc2)cn1 in the molecule hydroxyl with a nitro.,ONC(c1ccc(OC2CC2)c(Cl)c1)C(C[NH+]1CCCC1)NC(=O)C(F)(F)c1ccc(-c2ccc(F)cc2)cn1
DelComponent,Modify the molecule amine by removing a Nc1cc(Br)cc(C[NH+]2CC(=O)NC(=O)C2)c1.,O=C1C[NH+](Cc2cccc(Br)c2)CC(=O)N1
LogP,Please modify the molecule CCCCCCCCCCCOc1ccc(B2Oc3cc(CCCCC)c(CCCCC)cc3O2)cc1 to decrease its LogP value.,CCCCCCCCCCCOB1Oc2cc(CCCCC)c(CCCCC)cc2O1
MR,Modify the molecule C=C=C(c1ccccc1)C(C)(C)O to increase its MR value.,C=C=C(c1ccccc1)C(C)(C)C(=O)[OH]
QED,Modify the molecule Cc1cccn(-c2ccc(NC(=O)C3CC(C)CN3C(=O)Nc3ccc(Cl)cc3)c(F)c2)c1=O to have a lower QED value.,Cc1cccn(-c2ccc(NC(=O)C3CC(C)CN3C(=O)Nc3ccc(NO)cc3)c(F)c2)c1=O
AtomNum,"The molecule consists of 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 bromine atom.",CCCCN1C(=O)CN(C)c2ccc(Br)cc21
BondNum,"Please generate a molecule composed of 11 single bonds, 3 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(S(=O)(=O)n2oc(=O)c(C3CCCCC3)c2N)cc1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 1 amine group, and 6 halo groups.",O=P(OCc1ccccc1)(OCc1ccccc1)OCc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1
AddComponent,Add a carboxyl to the molecule Cc1ccc(-n2nnnc2SCC(=O)N(c2ccccc2)C2CCCCC2)cc1C.,Cc1ccc(-n2nnnc2SCC(=O)N(c2ccccc2)C2CCCC(C(=O)O)C2)cc1C
SubComponent,Substitute a halo in the molecule O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC(Oc2cc(C(F)(F)F)ccn2)C1 with a aldehyde.,CC(=O)C(F)(F)c1ccc(S(=O)(=O)N2CC(Oc3cc(C(F)(F)F)ccn3)C2)cc1
DelComponent,Modify the molecule amide by removing a [NH3+]C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COc3cccc(F)c3)CSC12)c1ccccc1.,[NH3+]C(C(=O)N1CSCC(COc2cccc(F)c2)=C1C(=O)[O-])c1ccccc1
LogP,Please optimize the molecule Cc1ccc(-c2csc(=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2CC(C)C)cc1 to have a lower LogP value.,Cc1ccc(-c2csc(=NS(=O)(=O)N3CCOCC3)n2CC(C)C)cc1
MR,Please optimize the molecule CCOC(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 to have a lower MR value.,CCOC(=O)Nc1nc2cccnc2s1
QED,Please modify the molecule CC(=O)c1ccc(N2CCC(C(=O)NCc3cccnc3)C2=O)cc1 to decrease its QED value.,CC(=O)c1ccc(N2CCC(C(=O)NCc3cccnc3)C2=O)cc1CC=O
AtomNum,"There is a molecule composed of 25 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCOC(=O)C1C(c2ccccc2)C1c1cccc(N2CC[NH+]3CCCC3C2)c1
BondNum,"The molecule is composed of 9 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCCC(C)COc1ccc(OC)cc1
FunctionalGroup,"The molecule has 1 ester group, and 1 amide group.",Cc1ccc2c(COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc(=O)oc2c1C
AddComponent,Add a hydroxyl to the molecule COc1cncc(C(NN)C2CCOc3ccccc32)c1.,COc1cncc(C(NN)C2CC(O)Oc3ccccc32)c1
SubComponent,Modify the molecule hydroxyl by substituting a COc1cc(O)c(CCC(C)(C)O)c(O)c1C(=O)C=Cc1ccc(O)c(O)c1 with a nitrile.,COc1cc(C#N)c(CCC(C)(C)O)c(O)c1C(=O)C=Cc1ccc(O)c(O)c1
DelComponent,Modify the molecule COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CC[NH+](Cc1cc(OC)ccc1F)CC2 by removing a halo.,COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CC[NH+](Cc1cccc(OC)c1)CC2
LogP,Please modify the molecule CC(C)Nc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4nc(-c5ccccn5)n[nH]4)C3)cc2)nc2nc(-c3ccccn3)nn12 to decrease its LogP value.,CC(C)Nc1c(-c2ccccc2)c(C[NH+]2CC(c3nc(-c4ccccn4)n[nH]3)C2)nc2nc(-c3ccccn3)nn12
MR,Modify the molecule O=C(NCC1(C(=O)[O-])CCCCC1)c1c[nH]c(=O)c(Br)c1 to have a lower MR value.,O=C(NCC1(C(=O)[O-])CCCCC1)c1c[nH]c(=O)c(S)c1
QED,Modify the molecule CCc1oc(C(=O)NC(C)Cc2cccs2)cc1C(=O)[O-] to have a lower QED value.,CCc1oc(C(=O)NC(C)Cc2ccc(O)s2)cc1C(=O)[O-]
AtomNum,"There is a molecule composed of 24 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",COc1cccc(C[NH+]2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)c1
BondNum,"There is a molecule composed of 7 single bonds, 3 double bonds, 1 rotatable bond, and 12 aromatic bonds.",O=C1Nc2ccccc2C(c2ccccc2)=NC1=CS
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 hydroxyl group, and 2 amide groups.",COc1ccc(CCC(=O)N2CCC[NH+](CC(O)COc3ccc(NC(C)=O)cc3)CC2)cc1
AddComponent,Add a benzene ring to the molecule CC[NH+](CC)Cc1cc(C(=O)N2CC3CCC4(NC(=O)c5ccccc5N4)C3C2)co1.,CC[NH+](CC)Cc1cc(C(=O)N2CC3CCC4(NC(=O)c5cccc(-c6ccccc6)c5N4)C3C2)co1
SubComponent,Please substitute a halo in the molecule Nc1cc(F)c(F)c(S(=O)(=O)NCC(=O)[O-])c1 with a aldehyde.,CC(=O)c1cc(N)cc(S(=O)(=O)NCC(=O)[O-])c1F
DelComponent,Please remove a halo from the molecule C#CCCOc1ncc(C(F)(F)F)nn1.,C#CCCOc1ncc(C(F)F)nn1
LogP,Modify the molecule CCNC(NCC1(c2ccccc2Cl)CCOCC1)=[NH+]Cc1ccco1 to decrease its LogP value.,CCNC(NCC1(Cl)CCOCC1)=[NH+]Cc1ccco1
MR,Please modify the molecule CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cc1ccccc1F to decrease its MR value.,CCOC(C=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1F
QED,Please optimize the molecule CN(C)c1cc[nH+]c2[nH]c3c4c(c5c(c3c12)C(=O)NC5=O)CCC4 to have a lower QED value.,CN(C)c1cc[nH+]c2[nH]c3c4c(c5c(c3c12)C(=O)NC5=O)C(O)CC4
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CN(C)C(=O)c1ccc(N)c(NC(C)(C)C(C)(C)O)c1
BondNum,"There is a molecule consisting of 8 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",CN(C)c1ccnc(CNC(=O)C=Cc2cccs2)n1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amine group, 3 halo groups, and 1 sulfide group.",Cc1c(-c2nnc(NC3CCCCC3)s2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
AddComponent,Add a hydroxyl to the molecule CCOP([O-])CCC12c3c4ccc(OC)c3OC1C1(CCC2C=C4)OCCO1.,CCOP([O-])CCC12c3c4ccc(OC)c3OC1C1(CCC2C=C4O)OCCO1
SubComponent,Please substitute a halo in the molecule COc1cc(C)nc(COc2ccccc2Br)c1 with a nitro.,COc1cc(C)nc(COc2ccccc2NO)c1
DelComponent,Remove a O=C(CCN1C(=S)NC(c2ccccn2)C1c1cccn1Cc1ccccn1)Nc1ccc(F)cc1 from the molecule amide.,Fc1ccc(CN2C(=S)NC(c3ccccn3)C2c2cccn2Cc2ccccn2)cc1
LogP,Modify the molecule Bc1cnn2c(NCC#C)cc(C3CC[NH2+]CC3)nc12 to have a higher LogP value.,Bc1cnn2c(CC#C)cc(C3CC[NH2+]CC3)nc12
MR,Modify the molecule COC(=O)Cc1cccc(Cl)c1COc1ccc(C)cc1Br to increase its MR value.,CC(=O)c1cccc(CC(=O)OC)c1COc1ccc(C)cc1Br
QED,Modify the molecule O=C(Nc1ccnc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cccnc3)cc12 to have a higher QED value.,O=C(Nc1ccnc(C(F)F)c1)c1n[nH]c2ccc(-c3cccnc3)cc12
AtomNum,"Please generate a molecule consisting 33 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",C[NH2+]CC(O)C12CCC3(C)C(CCC4([NH3+])C5CCC(OC(C)=O)C(C)(C)C5CCC34C)C1=C(C(C)C)C(=O)C2
BondNum,"The molecule has 23 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1(C)CC(c2cccc(C(F)(F)F)c2)=C(C=CC2CC(O)CC(=O)O2)C(C)(C)C1
FunctionalGroup,"Please generate a molecule consisting 8 benzene ring groups, 2 halo groups, and 4 nitrile groups.",N#Cc1ccccc1-c1ccc(-c2ccccc2C#N)c(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5c(-c6ccccc6C#N)ccc(-c6ccccc6C#N)c5F)ccc5ccc2c3c54)c1F
AddComponent,Modify the molecule CC1(C)Cc2cc(C[NH2+]C(c3ccccc3)c3nccs3)ccc2O1 by adding a benzene ring.,CC1(C)Cc2cc(C[NH2+]C(c3cccc(-c4ccccc4)c3)c3nccs3)ccc2O1
SubComponent,Please substitute a N#Cc1ccc(NCc2ccc(F)cc2)c(N)c1 in the molecule halo with a hydroxyl.,N#Cc1ccc(NCc2ccc(O)cc2)c(N)c1
DelComponent,Modify the molecule halo by removing a COC(=O)C(C)Nc1nc(C(F)(F)F)ccc1C(N)=S.,COC(=O)C(C)Nc1nc(C(F)F)ccc1C(N)=S
LogP,Please optimize the molecule CCC1(C)C(O)CC1Oc1c(C)cc(C)cc1[N+](=O)[O-] to have a lower LogP value.,CCC1(C)C(O)CC1Oc1c(C)cc(C)cc1[SH]=O
MR,Please modify the molecule CCCCNC(=O)C[NH+]1CC(CO)OC(C)(C)C1 to increase its MR value.,CC(CCNC(=O)C[NH+]1CC(CO)OC(C)(C)C1)C(=O)O
QED,Modify the molecule C=CCOc1ccc(C2(C(=O)N3CCC(c4ccncc4)C3)CC2)cc1 to increase its QED value.,C=CCOc1ccc(C2(C(=O)N3CCC(c4ccnc(N)c4)C3)CC2)cc1
AtomNum,"The molecule is composed of 13 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC1CC(C)C(=O)N(c2ccccc2)C1
BondNum,"The molecule is composed of 11 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
FunctionalGroup,The molecule has and 1 aldehyde group.,CC(C)[Si](C#CC=O)(C(C)C)C(C)C
AddComponent,Please add a hydroxyl to the molecule CC1CN(CC[NH3+])CC(C)N1C.,CC1CN(CC[NH3+])CC(C)(O)N1C
SubComponent,Substitute a halo in the molecule Cc1cc(C(=O)NCc2ccc(F)cc2)ccc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCC(C)CC2)CC1 with a aldehyde.,CC(=O)c1ccc(CNC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)NCC(=O)Nc4cc(Cl)ccc4C(=O)N4CCC(C)CC4)CC3)c(C)c2)cc1
DelComponent,Please remove a CC(C[NH2+]C(C)C(C)(C)C)C(N)=O from the molecule amide.,CC[NH2+]C(C)C(C)(C)C
LogP,Modify the molecule Cc1cc(-c2cccc(NCC[NH3+])c2)c(C=C2C(=O)Nc3ccccc32)[nH]1 to have a higher LogP value.,Cc1cc(-c2cccc(NCC[NH3+])c2)c(Cc2ccccc2)[nH]1
MR,Please optimize the molecule CC(NC(=O)N1CCOCC1)c1ccc(F)c(F)c1 to have a higher MR value.,CC(O)(NC(=O)N1CCOCC1)c1ccc(F)c(F)c1
QED,Please optimize the molecule C[NH2+]C(CC1CC1)c1cccc(OC)c1F to have a lower QED value.,C[NH2+]C(CC1CC1)c1cccc(OC)c1C(=O)[OH]
AtomNum,"There is a molecule composed of 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 chlorine atom.",O=C(CC[NH+]1CCCCC1)NN=Cc1ccccc1Cl
BondNum,"Please generate a molecule consisting 15 single bonds, 10 rotatable bonds, and 16 aromatic bonds.",CCCCCCCCCC(C)(C)c1cc(C)cc(-n2nc3ccccc3n2)c1O
FunctionalGroup,There is a molecule with and 1 halo group.,COc1nc(OC2CCCCC2[NH3+])ncc1Br
AddComponent,Add a hydroxyl to the molecule O=C([O-])C(C[Se])[NH2+]Cc1ccccc1.,O=C([O-])C(C[Se])[NH2+]Cc1cccc(O)c1
SubComponent,Modify the molecule halo by substituting a Cc1c(Cl)nc2ncnn2c1NC(C)C[NH+]1CCCCC1 with a thiol.,Cc1c(S)nc2ncnn2c1NC(C)C[NH+]1CCCCC1
DelComponent,Remove a O=C1C(=O)C2C(c3ccccc3)=CN(S(=O)(=O)c3ccccc3)C2C2=C1C1CCCCC1=CC2 from the molecule benzene ring.,O=C1C(=O)C2C=CN(S(=O)(=O)c3ccccc3)C2C2=C1C1CCCCC1=CC2
LogP,Please modify the molecule Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3c(C)cccc3C(=O)Nc3ccc(F)cc3)CC2)c1 to decrease its LogP value.,Cc1ccccc1NC(=O)c1ccc(O)c(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3c(C)cccc3C(=O)Nc3ccc(F)cc3)CC2)c1
MR,Modify the molecule N#Cc1cccc(C[NH+]2CCc3c([nH]c(=S)[nH]c3=O)C2)c1 to increase its MR value.,O=c1[nH]c(=S)[nH]c2c1CC[NH+](Cc1cccc(S)c1)C2
QED,Please optimize the molecule CC[NH2+]Cc1ccn(CCOCCO)c1 to have a lower QED value.,CC[NH2+]Cc1ccn(CCOC(O)CO)c1
AtomNum,"The molecule consists of 17 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CN(C)C(=O)c1ccc(Nc2ccc(CCO)cc2)c([N+](=O)[O-])c1Cl
BondNum,"There is a molecule with 9 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",CC(C)[NH2+]Cc1c[nH+]c(Br)n1C(C)C
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 1 amide group.",CCc1cccc(-c2ccc(CC(CC(=O)[O-])NC(=O)CCC(=O)[O-])cc2)c1
AddComponent,Add a amine to the molecule CCOC1CC(Nc2ncnc3nc[nH]c23)C12CCCCC2.,CCOC1CC(Nc2ncnc3nc(N)[nH]c23)C12CCCCC2
SubComponent,Modify the molecule nitrile by substituting a CC(C)(C)c1ccc(S(=O)(=O)NC2CCC(Oc3nccnc3C#N)CC2)cc1 with a carboxyl.,CC(C)(C)c1ccc(S(=O)(=O)NC2CCC(Oc3nccnc3C(=O)[OH])CC2)cc1
DelComponent,Remove a COCCNC(=O)CN1C(=O)SC(=Cc2ccc(OC)c3cccc(OC)c23)C1=O from the molecule amide.,COCCN1C(=O)SC(=Cc2ccc(OC)c3cccc(OC)c23)C1=O
LogP,Modify the molecule CCC[NH+](CCC)CCc1ccc(N)c(Br)c1 to decrease its LogP value.,CCC[NH+](CCC)CCc1ccc(N)c(S)c1
MR,Optimize the molecule CCC1C[NH+](C(C)C(=O)NC2CCS(=O)(=O)C2)CCS1 to have a higher MR value.,CCC1C[NH+](C(C)(C(=O)O)C(=O)NC2CCS(=O)(=O)C2)CCS1
QED,Optimize the molecule CCC(=O)N1CCN(c2nc(CC#N)nc(COC)c2Cc2cccc(Cl)c2)CC1 to have a higher QED value.,CCC(=O)N1CCN(c2nc(C)nc(COC)c2Cc2cccc(Cl)c2)CC1
AtomNum,"There is a molecule consisting of 55 carbon atoms, 10 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",CCCc1nc2ccc(N(C)CCOc3ccc(NC(=O)COc4ccc(CC5SC(=O)[N-]C5=O)cc4)c(N(C)C(=O)OC(C)(C)C)c3)cc2n1COc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1
BondNum,"The molecule contains 30 single bonds, 6 double bonds, and 14 rotatable bonds.",CCC1NC(=O)N(C(C)(C)CCS(=O)CCCS(=O)CCC(C)(C)N2C(=O)CN(CC)C2=O)C1=O
FunctionalGroup,"The molecule contains 1 ketone group, 2 amine groups, 1 nitrile group, and 1 sulfide group.",Cc1nc(CNc2sc(C(=O)C(C)C)c(N)c2C#N)no1
AddComponent,Add a hydroxyl to the molecule CCCCCCCCCCCCNC(=O)Nc1c(C)ccc2c1OCCC2=O.,CCCCCCCCCCCCNC(=O)Nc1c(C)cc(O)c2c1OCCC2=O
SubComponent,Substitute a halo in the molecule CC(C(=O)[O-])c1ccc2c([nH]c3ccccc32)c1Cl with a thiol.,CC(C(=O)[O-])c1ccc2c([nH]c3ccccc32)c1S
DelComponent,Please remove a amine from the molecule O=[N+]([O-])c1ccc(N2CCCCC2)cc1NCc1ccc(Cl)cc1.,O=[N+]([O-])c1ccc(N2CCCCC2)cc1Cc1ccc(Cl)cc1
LogP,Optimize the molecule CC1CCC(O)(C[NH2+]C(C)c2ccc(Br)cc2Br)CC1 to have a higher LogP value.,CC(=O)C1(C[NH2+]C(C)c2ccc(Br)cc2Br)CCC(C)CC1
MR,Please optimize the molecule CCC(CC)N1N=C(C(C)C)CC1=O to have a higher MR value.,CCC(CC)N1N=C(C(C)(C)c2ccccc2)CC1=O
QED,Please modify the molecule C[NH2+]C(CSc1cccc(C)c1)c1cccc(OC)c1F to decrease its QED value.,C[NH2+]C(CSC)c1cccc(OC)c1F
AtomNum,"The molecule contains 9 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",C#CC[NH2+]CC1=CCCOC1
BondNum,"There is a molecule composed of 13 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CN(CC1C[NH2+]CCO1)C(=O)c1c(F)cccc1F
FunctionalGroup,The molecule has and 1 sulfide group.,CN(CCCC1CCCO1)C(=O)Nc1ccc2ncsc2c1
AddComponent,Add a hydroxyl to the molecule CC(=O)C(N=Nc1ccc(Cl)cc1)(Sc1nc(=O)cc(C)[nH]1)C(C)=O.,CC(=O)C(N=Nc1ccc(Cl)c(O)c1)(Sc1nc(=O)cc(C)[nH]1)C(C)=O
SubComponent,Modify the molecule nitro by substituting a O=C([O-])CN1CCCN(CC(=O)[O-])CC[NH+](CC(=O)[O-])CC(Cc2ccc([N+](=O)[O-])cc2)C[NH+](CC(=O)[O-])CC1 with a thiol.,O=[SH]c1ccc(CC2C[NH+](CC(=O)[O-])CCN(CC(=O)[O-])CCCN(CC(=O)[O-])CC[NH+](CC(=O)[O-])C2)cc1
DelComponent,Please remove a halo from the molecule COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(CCCCCCO)CC3)cc1.,COc1ccc(-n2nc(C(F)F)c3c2C(=O)N(CCCCCCO)CC3)cc1
LogP,Please optimize the molecule CCCOC1(C(=O)Nc2cc(C)c(OCC)c(C)c2)CCCCC1 to have a higher LogP value.,CCCOC1(C(=O)Nc2cc(C)c(OCC)c(Cc3ccccc3)c2)CCCCC1
MR,Modify the molecule Cc1cccc2cc(C[NH+]3CCCC3C(N)=O)c(-c3cccc(Cl)c3)nc12 to increase its MR value.,Cc1cccc2cc(C[NH+]3CCCC3C(N)=O)c(-c3cccc(S)c3)nc12
QED,Optimize the molecule CC(Nc1c(-c2ccccc2)nc2cnccn12)C(=O)N1CCN(c2ncccn2)CC1 to have a higher QED value.,CN(c1c(-c2ccccc2)nc2cnccn12)C1CCN(c2ncccn2)C1
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 10 rotatable bonds, and 12 aromatic bonds.",CCOc1ccc(NC(=O)CNc2ccc(OCCOC)cc2)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 hydroxyl group.",CCC(C)C(O)C[NH2+]Cc1cn[nH]c1-c1ccccc1
AddComponent,Please add a benzene ring to the molecule CCCCC(=O)Nc1cccc(C(=O)CCNC(=O)OC(C)(C)C)c1.,CC(CCC(=O)Nc1cccc(C(=O)CCNC(=O)OC(C)(C)C)c1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc(NC(=O)C2CC2)s1 with a aldehyde.,CC(=O)c1ccc(C2(CNC(=O)c3ccc(NC(=O)C4CC4)s3)CCCC2)cc1
DelComponent,Remove a O=C(Oc1ccc(O)cc1)c1ccc(OC(=O)C2CCC(O)CC2)cc1 from the molecule benzene ring.,O=C(OO)c1ccc(OC(=O)C2CCC(O)CC2)cc1
LogP,Optimize the molecule COc1cc(C)c(C[NH+]2CC(C(=O)[O-])CC(C(=O)N3CCOCC3)C2)cc1C to have a lower LogP value.,COCCC[NH+]1CC(C(=O)[O-])CC(C(=O)N2CCOCC2)C1
MR,Optimize the molecule CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(CN2C(=O)NC(C)(c3ccccc3OC)C2=O)n1 to have a lower MR value.,CCCc1cc(C(O)(C(F)F)C(F)(F)F)ccc1Oc1cccc(CN2C(=O)NC(C)(c3ccccc3OC)C2=O)n1
QED,Please optimize the molecule CCC1(C[NH+]2CCOCC(Cl)C2)CCC1 to have a higher QED value.,CCC1(C[NH+]2CCOCC(C(=O)[OH])C2)CCC1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",C#CCCOc1ccc(C[NH2+]CC(C)C)cc1OC
BondNum,"The molecule has 6 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",NNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amide groups, and 2 halo groups.",CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2Br)CC1
AddComponent,Modify the molecule CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)C(CS(=O)(=O)[O-])NC(=O)C(CS(=O)(=O)[O-])NC(=O)C(CS(=O)(=O)[O-])NC(=O)C(CS(=O)(=O)[O-])NC(=O)CCC(NC(=O)c1ccc(N=NCc2ccccc2)nc1)C(=O)NC(CS(=O)(=O)[O-])C(=O)NC(CS(=O)(=O)[O-])C(=O)NC(CS(=O)(=O)[O-])C(=O)NC(CS(=O)(=O)[O-])C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 by adding a hydroxyl.,CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)C(CS(=O)(=O)[O-])NC(=O)C(CS(=O)(=O)[O-])NC(=O)C(CS(=O)(=O)[O-])NC(=O)C(CS(=O)(=O)[O-])NC(=O)CCC(NC(=O)c1ccc(N=NCc2ccccc2)nc1)C(=O)NC(CS(=O)(=O)[O-])C(=O)NC(CS(=O)(=O)[O-])C(=O)NC(CS(=O)(=O)[O-])C(=O)NC(CS(=O)(=O)[O-])C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccc(O)cc2)n1
SubComponent,Please substitute a CCCOCC[NH2+]C(C)CCCCl in the molecule halo with a aldehyde.,CC(=O)CCCC(C)[NH2+]CCOCCC
DelComponent,Modify the molecule benzene ring by removing a C=CCn1c(CN(CCOC)C(=O)NCC)c[nH+]c1S(=O)(=O)Cc1ccccc1.,C=CCn1c(CN(CCOC)C(=O)NCC)c[nH+]c1S(C)(=O)=O
LogP,Modify the molecule O=S(=O)(Cl)CC1(COCc2ccccc2F)CCCC1 to decrease its LogP value.,O=S(=O)(Cl)CC1(COCF)CCCC1
MR,Optimize the molecule O=C(NN=Cc1ccccn1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 to have a lower MR value.,O=C(Cl)Nc1cccc(C(=O)NN=Cc2ccccn2)c1
QED,Please modify the molecule O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1cc(F)cc(F)c1 to increase its QED value.,O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1cccc(F)c1
AtomNum,"There is a molecule composed of 17 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",COC(=O)c1ccc(F)c(NCc2ccc(C)cc2C)c1
BondNum,"The molecule has 2 single bonds, 1 double bond, and 11 aromatic bonds.",O=c1oc(Cl)c(Cl)c2ccccc12
FunctionalGroup,"There is a molecule consisting of 2 amine groups, and 1 sulfone group.",Cc1ccc(C(C)NS(=O)(=O)c2c(N)nn(C)c2C)o1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc2c(c1)-c1ccc(C)c-2c1.,Cc1ccc2c(c1)-c1cc(O)c(C)c-2c1
SubComponent,Please substitute a halo in the molecule CC1=C(CS(=O)(=O)c2ccc(I)cc2)C(C)(C)CC(Br)C1=O with a aldehyde.,CC(=O)c1ccc(S(=O)(=O)CC2=C(C)C(=O)C(Br)CC2(C)C)cc1
DelComponent,Remove a benzene ring from the molecule CN(C(=O)NC1CCC(c2cccc(Cl)c2)C1)C1COCC1O.,CN(C(=O)NC1CCC(Cl)C1)C1COCC1O
LogP,Please optimize the molecule CC(C)(C)OC(=O)CCCC([NH3+])C(=O)[O-] to have a lower LogP value.,CC(C)(CCC=O)OC(=O)CCCC([NH3+])C(=O)[O-]
MR,Optimize the molecule O=C1C=C2CCCN(c3ccccc3Cl)C(=O)C2=C(c2c(F)cccc2F)C(CCCc2ccncc2)C1 to have a lower MR value.,O=C1C=C2CCCN(c3ccccc3)C(=O)C2=C(c2c(F)cccc2F)C(CCCc2ccncc2)C1
QED,Modify the molecule CCCCCCCCCCCc1nnc(-n2c(CCCCCCC)n[nH]c2=S)s1 to decrease its QED value.,CCCCCCCCCCC(c1ccccc1)c1nnc(-n2c(CCCCCCC)n[nH]c2=S)s1
AtomNum,"The molecule contains 10 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",COCC1OC(n2ccc(N)nc2=O)C(O)C1F
BondNum,"Please generate a molecule consisting 15 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cc(C)c(NC(=O)C[NH+]2CCC(O)C(C)C2)c(Cl)c1
FunctionalGroup,"The molecule is composed of 2 amide groups, and 1 sulfide group.",O=C(Cc1csc(N2CCCC2=O)n1)NCC1(c2ccc3c(c2)OCO3)CCOCC1
AddComponent,Add a amine to the molecule CC(C)c1nc(N2CCC[NH+]3CCCC3C2)sc1CO.,CC(C)c1nc(N2CC(N)C[NH+]3CCCC3C2)sc1CO
SubComponent,Substitute a halo in the molecule Cc1c(OCc2n[nH]c(=O)n2C)ccc(I)c1Oc1cc(Cl)cc(C#N)c1 with a nitrile.,Cc1c(OCc2n[nH]c(=O)n2C)ccc(C#N)c1Oc1cc(Cl)cc(C#N)c1
DelComponent,Remove a amide from the molecule Cc1cnn(CC2CCCC[NH+]2CC(=O)Nc2cccnc2)c1.,Cc1cnn(CC2CCCC[NH+]2c2cccnc2)c1
LogP,Please modify the molecule COc1c(C)ccc(NS(=O)(=O)c2sccc2Br)c1C to decrease its LogP value.,COc1c(C)ccc(NS(=O)(=O)c2sccc2C(=O)[OH])c1C
MR,Modify the molecule COc1ccc(F)cc1NCCc1nc(C)cs1 to have a higher MR value.,COc1cc(O)c(F)cc1NCCc1nc(C)cs1
QED,Modify the molecule CC(C)Oc1ccc(C=C2NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 to have a higher QED value.,CC(C)Oc1ccc(C=C2NC(=O)N(Cc3ccccc3)C2=O)cc1
AtomNum,"The molecule contains 11 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CC(C)c1nn(C)c(NC(CO)(CO)CO)c1N
BondNum,"The molecule consists of 15 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",COc1ccc(CNc2ncc(C(N)=O)cc2Cl)c(OC2CCCC2)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amide group.",CCOc1ccccc1C(=O)NC(C)c1ccnn1CC
AddComponent,Modify the molecule Cc1ccccc1NC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(C)c(NC(=O)c4ccccc4F)c3)CC2)c(C)c1 by adding a benzene ring.,Cc1ccccc1NC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(C)c(NC(=O)c4ccccc4F)c3)CC2c2ccccc2)c(C)c1
SubComponent,Modify the molecule halo by substituting a CCC(Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 with a carboxyl.,CCC(Oc1ccc(C(=O)[OH])cc1)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1
DelComponent,Remove a halo from the molecule COCCCCC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O.,COCCCCC[NH2+]Cc1ccccc1S(C)(=O)=O
LogP,Modify the molecule Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(C)NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)N3CCCC3)c2)CC1 to decrease its LogP value.,CC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccc(C(=O)N4CCC(C)CC4)cc3C)CC2)cc1C(=O)N1CCCC1
MR,Please optimize the molecule CC(C)c1ccc(N2CC[NH+](C)C(CCO)C2)cc1 to have a lower MR value.,CC(C)N1CC[NH+](C)C(CCO)C1
QED,Modify the molecule CC(C)c1ccc(NC(=S)Nc2ncn(Cc3c(Cl)cccc3Cl)n2)cc1 to have a lower QED value.,CC(CC(=O)O)c1ccc(NC(=S)Nc2ncn(Cc3c(Cl)cccc3Cl)n2)cc1
AtomNum,"The molecule is composed of 37 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",CCCCCN(C(=O)c1cc(OC)c(OC)cc1CC[NH+](C)CC(O)CC(C#N)(c1ccc(OC)c(OC)c1)C(C)C)C(C)(C)C
BondNum,"There is a molecule consisting of 14 single bonds, 8 rotatable bonds, and 15 aromatic bonds.",Cc1cn2c(I)c[nH+]c2c(N(COCC[Si](C)(C)C)c2cc(CI)ns2)n1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 ester groups, and 1 halo group.",COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1ccc(F)c(NC(=O)NCCC[NH+]2CCC3(CC2)OCCO3)c1
AddComponent,Modify the molecule CCOC1CCCN(C(=O)NC(COC)C(=O)[O-])C1 by adding a hydroxyl.,CCOC1CCCN(C(=O)NC(O)(COC)C(=O)[O-])C1
SubComponent,Substitute a halo in the molecule Cc1cc(C(=O)Nc2cccc(Cl)c2C)nc(NCc2ccc(F)cc2)n1 with a aldehyde.,CC(=O)c1cccc(NC(=O)c2cc(C)nc(NCc3ccc(F)cc3)n2)c1C
DelComponent,Please remove a benzene ring from the molecule CCOCc1c(C(=O)Nc2cccc(CO)c2)oc2ccccc12.,CCOCc1c(C(=O)NCO)oc2ccccc12
LogP,Please modify the molecule CCOc1cc(C=Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1 to decrease its LogP value.,CCOc1cc(C=Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1
MR,Modify the molecule NC(=O)NC(=O)C(c1ccccc1)[NH+]1CCN(S(=O)(=O)c2cccs2)CC1 to increase its MR value.,NC(=O)NC(=O)C(c1ccccc1)[NH+]1CCN(S(=O)(=O)c2sccc2C(=O)O)CC1
QED,Optimize the molecule CCC(C)C(C)Nc1cccc(OCC#N)c1 to have a lower QED value.,CCC(C)C(C)NOCC#N
AtomNum,"Please generate a molecule consisting 9 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",CC(O)CCN(C)C(=O)CCCCl
BondNum,"The molecule consists of 7 single bonds, 1 triple bond, 3 rotatable bonds, and 11 aromatic bonds.",Cc1nn(C)c(COc2cccc(C#N)c2)c1Cl
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 halo groups, and 1 nitrile group.",Cc1cc2nc(-c3ccc(F)cc3)c(CC#N)n2cc1Br
AddComponent,Modify the molecule CCCCCN(C(=O)OCC)c1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4OC(=O)OC(C)(C)C)cc3)c2c1 by adding a hydroxyl.,CCCCCN(C(=O)OCC)c1ccc2nc(CCCC)n(Cc3ccc(-c4cccc(O)c4OC(=O)OC(C)(C)C)cc3)c2c1
SubComponent,Modify the molecule halo by substituting a Cc1nc2sccn2c1CCl with a thiol.,Cc1nc2sccn2c1CS
DelComponent,Modify the molecule amine by removing a Cc1cc(Nc2cncc(N3C=[NH+]C=CC3)c2)nc2ccccc12.,Cc1cc(Nc2cncc(N3CC=CC3)c2)nc2ccccc12
LogP,Modify the molecule CCC(C)(CC(C)(CC(C)C(=O)OC(C)(C)C(C)(C)C)C(=O)N(C(=O)C(C)(C)C)C(C)C)C(=O)OC(CC(C)C)CC(C)(O)C(F)(F)F to increase its LogP value.,CCC(C)(CC(C)(CC(C)C(=O)OC(C)(C)C(C)(C)C)C(=O)N(C(=O)C(C)(C)C)C(C)C)C(=O)OC(CC(C)C)CC(C)(S)C(F)(F)F
MR,Please modify the molecule CCS(=O)(=O)NCc1ccc(OC(C)C)cc1 to increase its MR value.,CC(C)Oc1ccc(CNS(=O)(=O)CCO)cc1
QED,Modify the molecule O=C(CSc1cc(Cl)ccc1Cl)NCc1cccnc1 to decrease its QED value.,O=C(CSc1cc(Cl)ccc1Cl)NCc1cccnc1O
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC[NH2+]CCNC(=O)c1cc(O)cc(O)c1
BondNum,"Please generate a molecule with 13 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCOc1cc(OCC2CCOCC2)ccc1N
FunctionalGroup,"The molecule contains 1 ester group, and 2 amine groups.",CCOC(=O)C1CCN(c2ncnc(Nc3cccnc3)c2N)CC1
AddComponent,Please add a benzene ring to the molecule CNC(=O)C(C)[NH2+]C(C)CC(=O)OC.,CNC(=O)C(C)[NH2+]C(C)C(C(=O)OC)c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(Oc2ccc(N(Cc3ccc4nc5c(c(CC)c4c3)Cn3c-5cc4c(c3=O)COC(=O)C4(O)CC)C(=O)[O-])cc2)cc1 with a nitrile.,CCNC(=O)c1nnc(-c2cc(C(C)C)c(C#N)cc2O)n1-c1ccc(Oc2ccc(N(Cc3ccc4nc5c(c(CC)c4c3)Cn3c-5cc4c(c3=O)COC(=O)C4(O)CC)C(=O)[O-])cc2)cc1
DelComponent,Remove a halo from the molecule CC1(n2c(=S)[nH]c3c(F)cc(F)cc32)CCOC1.,CC1(n2c(=S)[nH]c3c(F)cccc32)CCOC1
LogP,Please modify the molecule CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1nc2ncccn2n1 to decrease its LogP value.,CC(C)(C)S(=O)(=O)[N-]c1nc2ncccn2n1
MR,Please modify the molecule COc1cc2c(cc1Oc1cccc(N(C)C)c1)NC(=O)C21CC[NH+](CC2CC2)CC1 to decrease its MR value.,COc1ccc(C2CC[NH+](CC3CC3)C2)cc1Oc1cccc(N(C)C)c1
QED,Optimize the molecule CCC(=O)N1CCC2(CC1)N=c1c3c(O)c4c(O)c(C)c5c(c4c1=N2)C([NH3+])C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N3)O5 to have a lower QED value.,CCC(=O)N1CCC2(CC1)N=c1c3c(NO)c4c(O)c(C)c5c(c4c1=N2)C([NH3+])C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N3)O5
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COC(=O)C([NH3+])CCSCc1ncnn1CC(C)C
BondNum,"There is a molecule consisting of 6 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",OC(Cl)(CCl)Oc1ccccc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 halo group, and 1 sulfide group.",C[NH+](Cc1ccc(Cl)cc1)Cc1cc(C#CC[NH3+])cs1
AddComponent,Modify the molecule COc1ccc(SC2(C(=O)N(C)C)CC(=O)N(C(=O)C3CC3)C2c2ccc(OC)cc2)cc1 by adding a nitrile.,COc1ccc(C2N(C(=O)C3CC3)C(=O)CC2(Sc2ccc(OC)cc2C#N)C(=O)N(C)C)cc1
SubComponent,Substitute a hydroxyl in the molecule C[NH+]1CCC(C)(C[NH2+]CC(C)(C)O)CC1 with a thiol.,C[NH+]1CCC(C)(C[NH2+]CC(C)(C)S)CC1
DelComponent,Please remove a hydroxyl from the molecule CCC(=O)NC1=C(C)C(OCC(CC)=NOCc2csc(-c3cccc(N)n3)n2)C(C)(O)C(CC)OC(=O)C(C)(F)C(=O)C(C)C(OC2OC(C)CC([NH+](C)C)C2O)C(C)(O)CC1C.,CCC(=O)NC1=C(C)C(OCC(CC)=NOCc2csc(-c3cccc(N)n3)n2)C(C)(O)C(CC)OC(=O)C(C)(F)C(=O)C(C)C(OC2OC(C)CC([NH+](C)C)C2O)C(C)CC1C
LogP,Optimize the molecule CCN(C)C(=O)c1cc(OC2CCOc3cc(F)cc(F)c32)c2nc(C)[nH]c2c1 to have a lower LogP value.,CCN(C)C(=O)c1cc(OC2CCOc3cc(C#N)cc(F)c32)c2nc(C)[nH]c2c1
MR,Optimize the molecule CCC([NH3+])(CC)COCC(=O)N(C)C(C)C to have a lower MR value.,CCC([NH3+])(CC)COC(C)(C)C
QED,Please optimize the molecule CC1COCCC1C(=O)c1sccc1Cl to have a higher QED value.,CC1COCCC1C(=O)c1sccc1O
AtomNum,"There is a molecule composed of 10 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCC1(NC(N)=[NH+]C(C)C)CCOC1
BondNum,"Please generate a molecule consisting 7 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",OC(CSc1ccc(Br)cc1)c1cncc(F)c1
FunctionalGroup,Please generate a molecule composed of and 2 amine groups.,Cc1nn(C(C)C)c(NC(C)(C)C)c1N
AddComponent,Please add a amine to the molecule CC[NH+](CCCCC(C)(N)C#N)C(C)C.,CC[NH+](CCCC(N)C(C)(N)C#N)C(C)C
SubComponent,Modify the molecule nitrile by substituting a N#CCc1ccc(S(=O)(=O)Nc2ccc(N)cn2)cc1 with a halo.,Nc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)nc1
DelComponent,Please remove a O=C([O-])C[NH+](CCc1ccc(F)c(F)c1)C1CC1 from the molecule halo.,O=C([O-])C[NH+](CCc1cccc(F)c1)C1CC1
LogP,Please optimize the molecule COC(=O)C([NH3+])c1cc2ncc(Cl)cc2[nH]1 to have a lower LogP value.,COC(=O)C([NH3+])c1cc2ncc(C(=O)[OH])cc2[nH]1
MR,Modify the molecule Nc1c(Nc2ccncc2)ncnc1Oc1cccc2ccccc12 to increase its MR value.,Nc1c(Nc2ccncc2C(=O)O)ncnc1Oc1cccc2ccccc12
QED,Modify the molecule CCCN(CCC)c1cc(Cl)ccc1C[NH2+]C to decrease its QED value.,CCCN(CCC)c1cc(O)ccc1C[NH2+]C
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 fluorine atom, and 1 chlorine atom.",CCOC(=O)CC(=O)c1cnc(Cl)c(F)c1
BondNum,"The molecule consists of 8 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(C(C)Nc2ncnc(C)c2Cl)cc1
FunctionalGroup,There is a molecule consisting of and 3 benzene ring groups.,C=C(c1cccc(Cc2cc(-c3ccc(C)cc3)cc(C3CCCCC3)c2)c1)C(C)C
AddComponent,Add a benzene ring to the molecule C[N+](C)([O-])CCCNS(=O)[O-].,C[N+](C)([O-])CC(CNS(=O)[O-])c1ccccc1
SubComponent,Please substitute a NC(=O)CCN(C(=O)COC(=O)C=Cc1cc(Br)ccc1F)c1ccc(F)cc1 in the molecule halo with a hydroxyl.,NC(=O)CCN(C(=O)COC(=O)C=Cc1cc(O)ccc1F)c1ccc(F)cc1
DelComponent,Please remove a Cc1cccc(OCCSCc2cc(C)no2)c1 from the molecule benzene ring.,COCCSCc1cc(C)no1
LogP,Optimize the molecule CC=C([NH+]=C1C(=C(C)C)[NH2+]CCN1Cc1c(F)ccc(F)c1Cl)n1cnnc1C[NH+](CCC)CCC to have a lower LogP value.,CC=C([NH+]=C1C(=C(C)C)[NH2+]CCN1Cc1c(F)ccc(F)c1Cl)n1cnnc1C[NH+](CCC)C(O)CC
MR,Please optimize the molecule O=C(C#Cc1ccccc1)CC(=O)c1ccccc1 to have a higher MR value.,O=C(C#Cc1ccccc1-c1ccccc1)CC(=O)c1ccccc1
QED,Optimize the molecule COc1ccc(COCC(O)CNC(=O)c2oc3ccc(OC)cc3c2C)cc1 to have a higher QED value.,COc1ccc(COCC(O)Cc2(C)c3cc(OC)ccc3o-2)cc1
AtomNum,"Please generate a molecule consisting 58 carbon atoms, and 3 nitrogen atoms.",Cc1ccc(N(c2ccccc2)c2ccc3cc4c5cc(-c6ccccc6)cc6c7cc8ccc(N(c9ccccc9)c9ccc(C)cc9)cc8cc7n(c4cc3c2)c56)cc1
BondNum,"The molecule is composed of 7 single bonds, 2 double bonds, and 6 aromatic bonds.",O=C1N=Nc2nc(C(F)(F)F)ncc21
FunctionalGroup,There is a molecule consisting of and 3 ketone groups.,CC(=O)c1ccc2c(c1)-c1c(ccc3cc(C(C)=O)ccc13)C2=O
AddComponent,Add a benzene ring to the molecule C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1.,C=CCNS(=O)(=O)c1cc(C(=O)NCCc2c[nH]c3ccccc23)cc(-c2ccccc2)c1
SubComponent,Please substitute a halo in the molecule CCCC(C)OC(=O)c1cc([N+](=O)[O-])ccc1I with a carboxyl.,CCCC(C)OC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[OH]
DelComponent,Please remove a halo from the molecule C=CC=C(C=CC)NC(=NCc1ccc(S(=O)(=O)c2ccc(C(C)(F)P)cc2)cc1)NC#N.,C=CC=C(C=CC)NC(=NCc1ccc(S(=O)(=O)c2ccc(C(C)P)cc2)cc1)NC#N
LogP,Optimize the molecule CC(=O)CC(C)(C)c1c[nH]c2ccc(C#N)cc12 to have a lower LogP value.,CC(=O)CC(C)(C)c1c[nH]c2ccc(C(=O)[OH])cc12
MR,Modify the molecule COc1ccc(Cl)cc1NC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3ccc(C)cc3F)ccc2C)CC1 to increase its MR value.,COc1ccc(Cl)cc1NC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3ccc(C)cc3F)cc(-c3ccccc3)c2C)CC1
QED,Modify the molecule CCCc1noc(-c2cccc(CNC(NCCc3ccccc3OC)=[NH+]C)c2)n1 to have a lower QED value.,CCCc1noc(-c2cccc(CNC(NCCc3ccccc3OC)=[NH+]C)c2C(=O)O)n1
AtomNum,"There is a molecule with 18 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(CC[NH2+]CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",COc1ccc2[nH+]c(C)cc(N(C)C)c2c1CC(=O)[O-]
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 halo groups.",CC(C)CC([NH3+])c1cncn1-c1cc(Cl)cc(Cl)c1
AddComponent,Add a benzene ring to the molecule CCn1nc(C)c(Cl)c1CNc1ccc(CCCl)cc1.,CCn1nc(C)c(Cl)c1CNc1ccc(CC(Cl)c2ccccc2)cc1
SubComponent,Please substitute a Clc1cc(Br)cnc1NCC1CCCCO1 in the molecule halo with a thiol.,Sc1cc(Br)cnc1NCC1CCCCO1
DelComponent,Remove a amine from the molecule CCn1cc(C)[nH+]c1CNC(C)C.,CCn1cc(C)[nH+]c1CC(C)C
LogP,Please modify the molecule CCCCc1nc(Cl)c(C=C(Cc2ccccc2)C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 to decrease its LogP value.,CCCCc1nc(NO)c(C=C(Cc2ccccc2)C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
MR,Please modify the molecule Cc1cccc(CCC(=O)n2sc3ccccc3c2=O)c1 to decrease its MR value.,CCCC(=O)n1sc2ccccc2c1=O
QED,Please modify the molecule COc1ccc2c3c1OC1C(N(C)C(=O)C=Cc4ccccc4)CCC4(OC(C)=O)C(C2)[NH+](C)CCC314 to increase its QED value.,C=CC(=O)N(C)C1CCC2(OC(C)=O)C3Cc4ccc(OC)c5c4C2(CC[NH+]3C)C1O5
AtomNum,"Please generate a molecule with 12 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",C[NH2+]CC(O)CN1C(=O)NC2(CCCCC2)C1=O
BondNum,"There is a molecule consisting of 18 single bonds, 6 double bonds, 9 rotatable bonds, and 23 aromatic bonds.",CCOC(=O)C1=C(C)n2c(sc(=Cc3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=NC1c1ccc(Br)cc1
FunctionalGroup,The molecule is composed of and 2 benzene ring groups.,[SiH3]C1(c2ccc(Oc3ccccc3)cc2)CCCCO1
AddComponent,Add a hydroxyl to the molecule CCCC1CCC(OCC2CCC(C(F)=CC(F)(F)F)CC2)CC1.,CCCC1CCC(OC(O)C2CCC(C(F)=CC(F)(F)F)CC2)CC1
SubComponent,Substitute a Cc1ccc(C)c(NC(=O)CSc2cccc(NC(=O)C(=Cc3ccc(F)cc3)NC(=O)c3ccccc3)c2)c1 in the molecule halo with a carboxyl.,Cc1ccc(C)c(NC(=O)CSc2cccc(NC(=O)C(=Cc3ccc(C(=O)[OH])cc3)NC(=O)c3ccccc3)c2)c1
DelComponent,Please remove a benzene ring from the molecule c1ccc(-c2ccc(C3N(c4ccccc4)CCN3c3ccccc3)cc2)cc1.,c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1
LogP,Please modify the molecule CCN(Cc1ccc(Cl)s1)C(=O)CCCCO to increase its LogP value.,CCCCC(=O)N(CC)Cc1ccc(Cl)s1
MR,Modify the molecule Cc1ccc(C(=O)Nc2ncc(I)cc2C)cc1[N+](=O)[O-] to decrease its MR value.,Cc1cc(I)cnc1NC(=O)c1c-c(C)(O[O-])cc1
QED,Modify the molecule CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C(C)(C)C)cs2)c1 to have a higher QED value.,CC(C)N(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2nc(C(C)(C)C)cs2)c1
AtomNum,"There is a molecule with 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCC([NH3+])C(Sc1cccc(OC)c1)c1ccco1
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CC(=O)c1cccc(OCc2cc(C(=O)N(C)C(C)c3ccncn3)no2)c1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 2 amide groups.",COc1ccccc1N1CCN2c3ccccc3CC3(C(=O)NC(=O)N(c4ccccc4)C3=O)C2C1
AddComponent,Add a amine to the molecule CCCOc1ccc(C(CC(C)(C)C)[NH2+]C)cc1Br.,CCC(N)Oc1ccc(C(CC(C)(C)C)[NH2+]C)cc1Br
SubComponent,Please substitute a halo in the molecule COc1cc(Br)c(Br)c(C=NC23CC4CC(CC(C4)C2)C3)c1O with a hydroxyl.,COc1cc(O)c(Br)c(C=NC23CC4CC(CC(C4)C2)C3)c1O
DelComponent,Remove a halo from the molecule CC1CC(Nc2c(Br)cccc2Br)CCO1.,CC1CC(Nc2ccccc2Br)CCO1
LogP,Please modify the molecule CC1C[NH+](Cc2cn(C)nc2-c2cccn2C)CCN1c1ccc(C(F)(F)F)cn1 to decrease its LogP value.,CC1C[NH+](Cc2cn(C)nc2-c2cccn2C)CCN1c1ccc(C(F)(F)C#N)cn1
MR,Please modify the molecule O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1Cl)Nc1nccs1 to decrease its MR value.,Clc1ccccc1-n1c(Sc2nccs2)nnc1-c1ccccn1
QED,Please optimize the molecule CC(C)N(C(=O)COn1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(C)C to have a lower QED value.,CC(C)N(C(=O)COn1nnc2ccc(S(=O)(=O)N(C)CN)cc21)C(C)C
AtomNum,"There is a molecule consisting of 12 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC[NH2+]CCN1CCOC(CC(C)(C)[NH3+])C1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",C[NH2+]CCC(=O)Nc1cccc2c1OCCO2
FunctionalGroup,"Please generate a molecule with 1 ketone group, and 1 halo group.",CCc1nn(C)c(CC(=O)CC2CC[NH2+]C2)c1Cl
AddComponent,Add a benzene ring to the molecule CCOc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1.,CC(Oc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1 with a nitro.,CC(C)OCCN1C(=O)C(NO)=C(C(=O)c2ccco2)C1c1ccccc1
DelComponent,Modify the molecule amide by removing a COC(=O)C(CN1CCCCCC1=O)NC(C)=O.,COC(=O)CCN1CCCCCC1=O
LogP,Modify the molecule CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1 to have a lower LogP value.,CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1O
MR,Please modify the molecule CCn1cncc1S(=O)(=O)NC1CS(=O)(=O)c2ccccc21 to decrease its MR value.,CCn1cncc1S(=O)(=O)C1CS(=O)(=O)c2ccccc21
QED,Optimize the molecule CCSC(SCC)C(C(=C(SC)SC)[N+](=O)[O-])[N+](=O)[O-] to have a lower QED value.,CCSC(SCC)C(C(=C(SC)SCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]
AtomNum,"The molecule contains 17 carbon atoms, 11 nitrogen atoms, and 1 bromine atom.",Cn1cc(-c2cnn3c(N)c(Br)c(N4CCC(Cc5nn[n-]n5)CC4)nc23)cn1
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, and 2 rotatable bonds.",CC(C)(C)CCOC(=O)N1CC[NH2+]CC1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amine group.",COCc1cc(-c2cnoc2N)ccc1OC
AddComponent,Modify the molecule COC(=O)[N-]C(=O)COC(=O)C(=Cc1ccccc1OC)c1ccccc1 by adding a amine.,COC(=O)[N-]C(=O)COC(=O)C(=Cc1ccccc1OCN)c1ccccc1
SubComponent,Substitute a halo in the molecule Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[NH+]2CCCC(c3nc4ccccc4o3)C2)n1 with a hydroxyl.,Cc1nc(-c2ccc(O)c(Cl)c2)n(C[NH+]2CCCC(c3nc4ccccc4o3)C2)n1
DelComponent,Modify the molecule benzene ring by removing a CCC([NH2+]C(C)C(N)=O)c1ccc(OCc2ccccc2F)cc1.,CCC([NH2+]C(C)C(N)=O)c1ccc(OCF)cc1
LogP,Optimize the molecule COCCC(=O)Cc1ccc(OC)c(F)c1 to have a lower LogP value.,COCCC(=O)C(F)OC
MR,Please modify the molecule Cc1ccc(OCCCn2cc(CS(C)(=O)=O)nn2)cc1 to decrease its MR value.,COCCCn1cc(CS(C)(=O)=O)nn1
QED,Optimize the molecule CC(C)(CNC(=O)CCc1ccccc1C(=O)[O-])c1cccc(F)c1 to have a lower QED value.,CC(C)(CNC(=O)CCc1ccccc1C(=O)[O-])c1cccc(NO)c1
AtomNum,"There is a molecule with 17 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",CCOc1c(Br)cc(C(=O)Nc2cccc(C(N)=O)c2)cc1OC
BondNum,"There is a molecule composed of 21 single bonds, 5 double bonds, 10 rotatable bonds, and 17 aromatic bonds.",COc1cccc(Cn2nc(C)c(C=CC(=O)OCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2Cl)c1
FunctionalGroup,"The molecule consists of 2 hydroxyl groups, 1 ketone group, 1 ester group, 3 amine groups, and 2 halo groups.",CCOC(=O)C1(F)OC(C(O)C(=O)CO)C(C)C([NH+]=C(N)N)C1F
AddComponent,Modify the molecule CC(C)C[NH+](CCC(N)=[NH+]O)CC1CCCCC1 by adding a hydroxyl.,CC(C)C[NH+](CCC(N)=[NH+]O)CC1CCCC(O)C1
SubComponent,Modify the molecule hydroxyl by substituting a Nc1ccc(O)cc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 with a nitrile.,N#Cc1ccc(N)c(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1
DelComponent,Please remove a amine from the molecule CCNc1nc(NCc2ccsc2)nc(-n2cncn2)n1.,CCNc1nc(Cc2ccsc2)nc(-n2cncn2)n1
LogP,Modify the molecule CCN(CC)C(=O)C1CCC[NH+](Cc2nc3ccccc3n2CC)C1 to increase its LogP value.,CCN(CC)C(=O)C1CC(c2ccccc2)C[NH+](Cc2nc3ccccc3n2CC)C1
MR,Modify the molecule Oc1ccc(CC(O)Cc2ccc(F)cc2)cc1 to have a higher MR value.,ONc1ccc(CC(O)Cc2ccc(O)cc2)cc1
QED,Modify the molecule CCCCCCCCCCCC(=O)c1sc2c(-c3cc4c(-c5cc(CCCCCC)c(CCCCCC)s5)c5sc(C)cc5c(-c5cc(CCCCCC)c(CCCCCC)s5)c4s3)sc(C)c2c1F to have a higher QED value.,CCCCCCCCCCCC(=O)c1sc2c(-c3cc4c(-c5cc(CCCCCC)c(CCCCCC)s5)c5sc(C)cc5c(-c5cc(CCCCCC)c(CCCCCC)s5)c4s3)sc(C)c2c1O
AtomNum,"Please generate a molecule with 32 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",CCCNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3c(C)cccc3C(=O)NC(C)CC)CC2)c1
BondNum,"There is a molecule composed of 13 single bonds, 1 double bond, 9 rotatable bonds, and 5 aromatic bonds.",CC(=O)Nc1ccsc1C[NH2+]CCOCCC(C)C
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1ccc(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)N4CCCC(C)C4)ccc3Cl)CC2)cc1NC(=O)c1cccc(Cl)c1
AddComponent,Modify the molecule CCC(C)NC(=O)c1ccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4cccc(F)c4)ccc3C)CC2)cc1Cl by adding a hydroxyl.,CCC(C)NC(=O)c1ccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3c(C)ccc(C(=O)Nc4cccc(F)c4)c3O)CC2)cc1Cl
SubComponent,Substitute a CCCCCC[NH2+]CCOc1cccc(C)c1F in the molecule halo with a nitrile.,CCCCCC[NH2+]CCOc1cccc(C)c1C#N
DelComponent,Remove a COCCSc1nncn1-c1ccc(C)cc1C from the molecule benzene ring.,CCn1cnnc1SCCOC
LogP,Please modify the molecule Cc1cncc(C2(O)CCC(C)(C)C2)c1 to increase its LogP value.,Cc1cc(C2(O)CCC(C)(C)C2)cnc1-c1ccccc1
MR,Optimize the molecule CC[NH2+]C(c1ccc(Cl)s1)c1cc(C)nn1CC to have a higher MR value.,CCn1nc(C)cc1C([NH2+]CCO)c1ccc(Cl)s1
QED,Please modify the molecule NC(=O)C1C[NH2+]CCN1Cc1ccc2c(c1)CCO2 to increase its QED value.,c1cc2c(cc1CN1CC[NH2+]C1)CCO2
AtomNum,"Please generate a molecule with 24 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",O=C(Nc1ccc2c(c1)CC[NH+](C1CCC1)CC2)c1cnc(OC2CCOCC2)cn1
BondNum,"Please generate a molecule consisting 2 single bonds, 1 double bond, 1 rotatable bond, and 10 aromatic bonds.",O=Cc1cnn2ccc(Br)nc12
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 thioether group, and 1 sulfide group.",CCSc1ccc(CN(C)C(=O)C(C)[NH3+])cc1
AddComponent,Add a carboxyl to the molecule C[NH+]=C(NCCN1C(=O)CCCC1=O)N1CCC([NH+]2CC=CC2)C1.,C[NH+]=C(NCCN1C(=O)CCCC1=O)N1CC(C(=O)O)C([NH+]2CC=CC2)C1
SubComponent,Substitute a halo in the molecule Nc1nc(N)c(C(=O)C=C2NCC3(CCN(C(=O)CCC4CNc5ccccc54)CC3)[NH2+]2)nc1Cl with a carboxyl.,Nc1nc(N)c(C(=O)C=C2NCC3(CCN(C(=O)CCC4CNc5ccccc54)CC3)[NH2+]2)nc1C(=O)[OH]
DelComponent,Remove a amide from the molecule CC(=O)NCCN(C(=O)C1CCC(NC(=O)C2CCCC2)CC1)C(C)C(=O)[O-].,CCN(C(=O)C1CCC(NC(=O)C2CCCC2)CC1)C(C)C(=O)[O-]
LogP,Modify the molecule CCOC(=O)C(=O)NCc1nnc(-c2ccccc2C)o1 to decrease its LogP value.,CCOC(=O)C(=O)NCc1nnc(C)o1
MR,Please modify the molecule CC(C)Cc1cc(N)nc(C2CC2C)n1 to increase its MR value.,CC(C)Cc1cc(N)nc(C2(C(=O)O)CC2C)n1
QED,Optimize the molecule CCCCc1csc(-c2ccccc2)c1C=CC(=O)OCC to have a lower QED value.,CCCCc1csc(-c2cccc(N)c2)c1C=CC(=O)OCC
AtomNum,"The molecule has 14 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COCCN(CCC(=O)OC)C(=O)Nc1ccccc1
BondNum,"The molecule has 6 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",CN(C)c1ccc(Nc2ccncc2Br)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ester group, 1 amide group, 1 amine group, and 1 sulfide group.",CCC(Oc1ccc(C=C2SC(Nc3ccccc3C(=O)OC)=[NH+]C2=O)cc1)C(=O)[O-]
AddComponent,Add a hydroxyl to the molecule Cc1ccc(NCC2(C)CCCS2)c(C(N)=S)c1.,Cc1cc(O)c(NCC2(C)CCCS2)c(C(N)=S)c1
SubComponent,Modify the molecule hydroxyl by substituting a O=C(CSc1ccc2ccccc2c1)c1ccc(O)cc1 with a aldehyde.,CC(=O)c1ccc(C(=O)CSc2ccc3ccccc3c2)cc1
DelComponent,Modify the molecule amide by removing a COc1ccc(CNC(=O)Cn2c(-c3cccs3)cc3ccccc32)cc1.,COc1ccc(Cn2c(-c3cccs3)cc3ccccc32)cc1
LogP,Please optimize the molecule NC(=[NH+]CCc1cccc(F)c1)N1CCSCC1 to have a lower LogP value.,NC(=[NH+]CCc1cccc(C(=O)[OH])c1)N1CCSCC1
MR,Please modify the molecule CCC(COC(=O)c1ccc(-n2cccc2)cc1)Nc1ccc([N+](=O)[O-])cn1 to increase its MR value.,CCC(COC(=O)c1ccc(-n2cccc2)c(-c2ccccc2)c1)Nc1ccc([N+](=O)[O-])cn1
QED,Modify the molecule COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)C1=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 to have a higher QED value.,COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)C1=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)o1
AtomNum,"There is a molecule with 25 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COc1cccc(CC(=O)N2CC(C(=O)NCCc3ccncc3)C3(CCOCC3)C2)c1
BondNum,"Please generate a molecule with 12 single bonds, 3 rotatable bonds, and 5 aromatic bonds.",CCc1occc1C(O)C1CCCCCC1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 3 halo groups.",Clc1ccc(C[NH2+]CCOc2ccc(Br)cc2)cc1Cl
AddComponent,Add a benzene ring to the molecule CCC(=NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.,CCC(=NNC(=O)C(c1ccccc1)c1cccc(-c2ccccc2)c1)c1ccccc1
SubComponent,Please substitute a halo in the molecule O=C(CCl)c1ccc2ccccc2n1 with a nitrile.,N#CCC(=O)c1ccc2ccccc2n1
DelComponent,Remove a halo from the molecule CCC(C)C(C(=O)[O-])C1(O)C=CC(c2ccccc2)=CC1(F)F.,CCC(C)C(C(=O)[O-])C1(O)C=CC(c2ccccc2)=CC1F
LogP,Optimize the molecule COc1cc(Nc2cc(C#N)nc3c2nc(-c2ccc(F)cc2)n3C)ccc1-c1cnc(C)o1 to have a lower LogP value.,COc1cc(-c2cc(C#N)nc3c2nc(-c2ccc(F)cc2)n3C)ccc1-c1cnc(C)o1
MR,Optimize the molecule CC1C(=O)NCCN1S(=O)(=O)CCC(=O)[O-] to have a lower MR value.,CC1CN1S(=O)(=O)CCC(=O)[O-]
QED,Modify the molecule Cc1[nH]c(I)nc1-c1ccccc1 to decrease its QED value.,Cc1[nH]cnc1-c1ccccc1
AtomNum,"The molecule contains 30 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccc(Cl)cc1
BondNum,"There is a molecule consisting of 17 single bonds, 1 double bond, 1 triple bond, and 2 rotatable bonds.",CC(C)(C#N)CC(=O)N1CC(C)(C)C2COCC21
FunctionalGroup,The molecule has and 1 amide group.,CCCCC([NH2+]CCC(=O)NCC)C(=O)[O-]
AddComponent,Modify the molecule O=C(NCc1ccccn1)N1CCSCC1 by adding a carboxyl.,O=C(O)c1cccnc1CNC(=O)N1CCSCC1
SubComponent,Please substitute a nitrile in the molecule N#Cc1c(-c2cccc(C(F)(F)F)c2)nn2c1N(C(=O)CCl)CC=C2 with a halo.,O=C(CCl)N1CC=Cn2nc(-c3cccc(C(F)(F)F)c3)c(F)c21
DelComponent,Remove a hydroxyl from the molecule CC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCc3ccccc3)cc2)C1c1ccc(C(C)(C)C)cc1.,CC(=O)c1ccccc1N1C(=O)C=C(c2ccc(OCc3ccccc3)cc2)C1c1ccc(C(C)(C)C)cc1
LogP,Modify the molecule COC(=O)N1CC[NH+](CCNC(=O)NCCCc2ccccc2)CC1 to decrease its LogP value.,CCCNC(=O)NCC[NH+]1CCN(C(=O)OC)CC1
MR,Please optimize the molecule CCCCCCC(C)c1c(F)cc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc1F to have a higher MR value.,CCCCCCC(C)c1c(F)cc(C2CCC(C3CCC(CCCCC)CC3)CC2)c(O)c1F
QED,Please optimize the molecule CC(C)(C)C(=O)SCCCCOP(=O)(OCCCCSC(=O)C(C)(C)C)OCC1(F)OC(n2ccc(=O)[nH]c2=O)C(C)(O)C1O to have a higher QED value.,CC(C)(C)C(=O)SCCCCOP(=O)(OCCCCSC(=O)C(C)(C)C)OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(O)C1O
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CN(NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccc1
BondNum,"The molecule consists of 13 single bonds, 1 rotatable bond, and 5 aromatic bonds.",Cc1nn(C2C[NH+]3CCC2CC3)c(N)c1I
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 amide group, 1 amine group, 1 nitro group, and 1 nitrile group.",N#Cc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1
AddComponent,Add a benzene ring to the molecule Cc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2CO)cc1.,Cc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2CO)c(-c2ccccc2)c1
SubComponent,Please substitute a CC(=O)c1ccc(Oc2ccc(CCCCCCO)cc2)cc1 in the molecule hydroxyl with a nitro.,CC(=O)c1ccc(Oc2ccc(CCCCCCNO)cc2)cc1
DelComponent,Remove a CCSC1OC2COC(c3ccccc3)OC2C(OC(=O)OCC2c3ccccc3-c3ccccc32)C1NC(=O)OCC(Cl)(Cl)Cl from the molecule benzene ring.,CCSC1OC2COCOC2C(OC(=O)OCC2c3ccccc3-c3ccccc32)C1NC(=O)OCC(Cl)(Cl)Cl
LogP,Please modify the molecule CCc1nn(C)cc1C(=O)c1ccc(OC(C)C)cc1 to decrease its LogP value.,CCc1nn(C)cc1C(=O)OC(C)C
MR,Modify the molecule CC(C)(C)CC[NH+]1CCC(C)(O)C(NC(=O)C2CC2)C1c1ccccc1 to increase its MR value.,CC(C)(C)CC[NH+]1CCC(C)(Br)C(NC(=O)C2CC2)C1c1ccccc1
QED,Please optimize the molecule CC(C)=CCCC(C)=CCOC(=O)CC(C)CO[Si](C(C)C)(C(C)C)C(C)C to have a lower QED value.,CC(C)=CCCC(C)=CCOC(=O)CC(C)CO[Si](C(C)C)(C(C)C)C(C)(C)C(=O)O
AtomNum,"There is a molecule composed of 8 carbon atoms, 2 oxygen atoms, and 2 phosphorus atoms.",CCCCP(C)(=O)CP(C)(C)=O
BondNum,"There is a molecule consisting of 16 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1cc(Cl)c(C)cc1NC1CC(C)CCC1C(C)C
FunctionalGroup,"There is a molecule with 1 amide group, and 1 halo group.",CC(C)n1nccc1NC(=O)CCCl
AddComponent,Please add a hydroxyl to the molecule CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NCCNS(=O)(=O)c4ccccc4)c3)c2C1.,CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3cc(O)c(C(N)=O)c(NCCNS(=O)(=O)c4ccccc4)c3)c2C1
SubComponent,Substitute a halo in the molecule COc1cc(C([O-])=C2C(=O)C(=O)N(c3ccc4c(c3)OCCO4)C2c2ccc(C(C)(C)C)cc2)ccc1Cl with a carboxyl.,COc1cc(C([O-])=C2C(=O)C(=O)N(c3ccc4c(c3)OCCO4)C2c2ccc(C(C)(C)C)cc2)ccc1C(=O)[OH]
DelComponent,Remove a hydroxyl from the molecule CC([NH2+]C1CCCC1(C)CO)c1ccc(-n2ccnc2)cc1.,CC([NH2+]C1CCCC1(C)C)c1ccc(-n2ccnc2)cc1
LogP,Modify the molecule O=C(Nc1cc(Cl)ccc1F)c1cc(Br)ccc1Br to decrease its LogP value.,O=C(Nc1cc(S)ccc1F)c1cc(Br)ccc1Br
MR,Modify the molecule CCOc1ccc(C(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)cc1OCC to increase its MR value.,CC(=O)C(F)(F)c1nnc(C2CCCN(C(=O)c3ccc(OCC)c(OCC)c3)C2)o1
QED,Optimize the molecule CC1(CO)OC(n2ccc(=O)[nH]c2=O)C(OO[Si](C)(C)C(C)(C)C)C1OO[Si](C)(C)C(C)(C)C to have a lower QED value.,CC(=O)CC1(C)OC(n2ccc(=O)[nH]c2=O)C(OO[Si](C)(C)C(C)(C)C)C1OO[Si](C)(C)C(C)(C)C
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 3 chlorine atoms.",CNc1cncc(Oc2cc(Cl)c(Cl)cc2Cl)c1
BondNum,"There is a molecule with 15 single bonds, 1 double bond, 8 rotatable bonds, and 23 aromatic bonds.",CCOc1cc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2CCc2ccc(OC)cc2)ccc1O
FunctionalGroup,"The molecule has 1 benzene ring group, and 2 halo groups.",Clc1cc(Br)ccc1CN1CCCC1C[NH2+]C1CC1
AddComponent,Modify the molecule CCCC(C)(NC(=O)CCc1ccc(C)cc1)C(=O)OC by adding a benzene ring.,CCCC(C)(NC(=O)CCc1ccc(C)c(-c2ccccc2)c1)C(=O)OC
SubComponent,Substitute a CC(C)CCOCCC(O)C1CCC(C)CC1 in the molecule hydroxyl with a thiol.,CC(C)CCOCCC(S)C1CCC(C)CC1
DelComponent,Modify the molecule amine by removing a CC(C)(C)C(=O)Nc1ccc(N2CCCCC2)c(N)c1.,CC(C)(C)C(=O)Nc1ccc(N2CCCCC2)cc1
LogP,Please modify the molecule CCNC(NCCOc1ccccc1)=[NH+]CC(=O)N1CCc2ccccc2C1 to increase its LogP value.,CCNC(NCCOc1ccccc1)=[NH+]C1Cc2ccccc2C1
MR,Optimize the molecule NS(=O)(=O)c1cccnc1-c1cn[nH]c2ncc(C(=O)c3ccc(O)cc3)c1-2 to have a lower MR value.,NS(=O)(=O)c1cccnc1-c1cn[nH]c2ncc(C(=O)O)c1-2
QED,Modify the molecule C[NH+](Cc1ccc(F)cc1)C1CN(C(=O)c2cnccn2)CC1O to decrease its QED value.,C[NH+](Cc1ccccc1)C1CN(C(=O)c2cnccn2)CC1O
AtomNum,"Please generate a molecule with 13 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CCN1CCN(C2C[NH+](Cc3ccon3)C2)CC1
BondNum,"There is a molecule with 3 single bonds, 2 triple bonds, and 10 aromatic bonds.",N#Cc1cc(C#N)c2ccsc2c1Cl
FunctionalGroup,The molecule is composed of and 1 amide group.,CCN1CCN(C(=O)c2ccnn2C)c2cccnc21
AddComponent,Please add a hydroxyl to the molecule C[NH+]1C2CCCC1(OC(c1ccc(F)cc1)c1ccc(F)cc1)CC2.,OC[NH+]1C2CCCC1(OC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
SubComponent,Substitute a O=C(NCc1ccccc1Cl)c1cn(CC[NH+]2CCCCC2)nn1 in the molecule halo with a carboxyl.,O=C(NCc1ccccc1C(=O)[OH])c1cn(CC[NH+]2CCCCC2)nn1
DelComponent,Remove a benzene ring from the molecule O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)c1cccc(S(=O)(=O)N2CCCCC2)c1.,O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)S(=O)(=O)N1CCCCC1
LogP,Please modify the molecule O=C(CN1CCCc2ccccc21)NCc1ccco1 to decrease its LogP value.,O=C(CN1CCCc2cc(O)ccc21)NCc1ccco1
MR,Please optimize the molecule N#CC(=C[NH2+]C1CCCC1)C(=O)NCc1ccco1 to have a higher MR value.,O=C([OH])C(=C[NH2+]C1CCCC1)C(=O)NCc1ccco1
QED,Optimize the molecule Brc1cc2c(s1)CCCC2[NH2+]CC1CC=CCC1 to have a lower QED value.,OC1([NH2+]CC2CC=CCC2)CCCc2sc(Br)cc21
AtomNum,"The molecule consists of 13 carbon atoms, 7 oxygen atoms, and 1 nitrogen atom.",O=C([O-])C(Cc1ccccn1)(OC1COCCO1)C(=O)[O-]
BondNum,"Please generate a molecule composed of 9 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",C=C1CCC(Cl)CC1Cc1ccccc1
FunctionalGroup,There is a molecule composed of and 1 nitrile group.,N#Cc1cccc2c1Oc1cc3ccccc3cc1O2
AddComponent,Modify the molecule COc1cc(OC)c2c(c1)OC(c1ccc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(COC(=O)C=Cc4ccccc4)C3O)cc1)CC2=O by adding a hydroxyl.,COc1cc(OC)c2c(c1)OC(c1ccc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(COC(=O)C=Cc4ccc(O)cc4)C3O)cc1)CC2=O
SubComponent,Please substitute a CCOC(=O)C1C(CO[Si](CC)(CC)CC)C1C(=O)N(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 in the molecule nitro with a thiol.,CCOC(=O)C1C(CO[Si](CC)(CC)CC)C1C(=O)N(C(=O)OC(C)(C)C)c1ccc([SH]=O)cc1
DelComponent,Remove a O=S(=O)(NCCc1ncon1)c1ccnc(Cl)c1 from the molecule amine.,O=S(=O)(CCc1ncon1)c1ccnc(Cl)c1
LogP,Please modify the molecule CC(=O)[NH+]=c1c(-c2c(Cl)cccc2Cl)cc2cnc(C)nc2n1C to decrease its LogP value.,CC(=O)c1cccc(Cl)c1-c1cc2cnc(C)nc2n(C)c1=[NH+]C(C)=O
MR,Modify the molecule O=C([O-])C1C2CCC(CC2)C1C(=O)N1CC[NH+](CC=Cc2ccccc2)CC1 to decrease its MR value.,O=C([O-])C1C2CCC(CC2)C2C[NH+](CC=Cc3ccccc3)CC21
QED,Please modify the molecule CC[NH+](Cc1cccc(OC)c1)C(C)CC(=O)[O-] to decrease its QED value.,CC[NH+](COC)C(C)CC(=O)[O-]
AtomNum,"Please generate a molecule with 53 carbon atoms, 11 oxygen atoms, and 2 nitrogen atoms.",CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccc(C)c(C)c1)c1cccc(OCC(=O)NCc2c(O)ccc3c(-c4ccccc4C(=O)[O-])c4ccc(=O)cc-4oc23)c1
BondNum,"The molecule consists of 28 single bonds, 5 double bonds, 11 rotatable bonds, and 18 aromatic bonds.",CNC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccc(NC(=O)c4ccccc4C)c(OC)c3)CC2)c(C)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 sulfide group, and 1 sulfone group.",C#CCn1c(=NC(=O)C2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)sc2cc(OC)ccc21
AddComponent,Add a hydroxyl to the molecule CC1=C(C=O)CCc2c1[nH]c1ccccc21.,CC1=C(C(=O)O)CCc2c1[nH]c1ccccc21
SubComponent,Please substitute a COc1cc2c(cc1OCc1cc(COc3cc4c(cc3OC)C(=O)N3c5ccccc5CC3C(O)N4)cc(NC(=O)C(C)NC(=O)C(NC(=O)CCCCC(N)=O)C(C)C)c1)NCC1Cc3ccccc3N1C2=O in the molecule hydroxyl with a nitrile.,COc1cc2c(cc1OCc1cc(COc3cc4c(cc3OC)C(=O)N3c5ccccc5CC3C(C#N)N4)cc(NC(=O)C(C)NC(=O)C(NC(=O)CCCCC(N)=O)C(C)C)c1)NCC1Cc3ccccc3N1C2=O
DelComponent,Please remove a amide from the molecule C=CCNC(=O)c1ccccc1NC(=O)c1cccs1.,C=CCc1(NC(=O)c2cccs2)cccc-1
LogP,Optimize the molecule O=c1[nH]cc(I)c2ccc(Cl)cc12 to have a lower LogP value.,CC(=O)c1c[nH]c(=O)c2cc(Cl)ccc12
MR,Please modify the molecule CCC[NH2+]C(Cc1ccc(C)cc1Cl)c1ccc(Cl)cc1 to decrease its MR value.,CCC[NH2+]C(Cl)Cc1ccc(C)cc1Cl
QED,Please optimize the molecule O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC1CCl to have a higher QED value.,O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC1CO
AtomNum,"The molecule consists of 11 carbon atoms, 1 nitrogen atom, and 3 fluorine atoms.",CC1CCCC(NCCC(F)(F)F)C1C
BondNum,"There is a molecule composed of 8 single bonds, 1 double bond, 6 rotatable bonds, and 16 aromatic bonds.",Nc1ccc2nc(SCC(=O)NCCc3ccccc3)sc2c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfide group.",Cc1cc(NC(=O)c2ccccc2Cl)sn1
AddComponent,Modify the molecule OB(O)c1cnn(C2CC[NH2+]CC2)c1 by adding a benzene ring.,OB(O)c1cnn(C2CC[NH2+]CC2)c1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a CC(C)SCc1csc2cc(F)ccc12 with a aldehyde.,CC(=O)c1ccc2c(CSC(C)C)csc2c1
DelComponent,Modify the molecule CC1CCCCCC1Nc1ccc(N)c2cccnc12 by removing a amine.,CC1CCCCCC1Nc1cccc2cccnc12
LogP,Modify the molecule O=C1OC(c2ccccc2)C(c2ccccc2)[NH+]2C1C(C(=O)Nc1ccc(N3CCOCC3)cc1)C1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)C2c1ccc(OCCO)cc1 to have a lower LogP value.,O=C1OC(c2ccccc2)C(c2ccccc2)[NH+]2C1C(C(=O)Nc1ccc(N3CCOCC3)cc1)C1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)c(O)c31)C2c1ccc(OCCO)cc1
MR,Please modify the molecule CCCOc1ccc(NC(=O)c2cccc(C)c2N)cc1 to decrease its MR value.,CCCOc1ccc(NC(=O)c2cccc(C)c2)cc1
QED,Please optimize the molecule Cc1nn(C)c(N(C)CCC(C)O)c1C[NH3+] to have a higher QED value.,Cc1nn(C)c(N(C)CCC(C)S)c1C[NH3+]
AtomNum,"There is a molecule consisting of 23 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccccc1OC
BondNum,"Please generate a molecule consisting 35 single bonds, 2 double bonds, 14 rotatable bonds, and 17 aromatic bonds.",Cc1cc(C)cc(-c2[nH]nc(OCC(C)(C)C(=O)C3C4CC[NH+]3CC4)c2C(C)C[NH2+]CCc2ccc(N(C(N)=O)C3CCCCC3)cc2)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 amide groups, and 3 halo groups.",NC(=O)COc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cc1
AddComponent,Modify the molecule Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2)n1C by adding a hydroxyl.,Cc1cc(Cl)cc(O)c1NC(=O)CSc1nnc(-c2ccccc2)n1C
SubComponent,Substitute a halo in the molecule CCOC(Cc1ccc(OCCN(CCCC2CCCCC2)C(=O)Oc2cccc(C(F)(F)F)c2)cc1)C(=O)[O-] with a nitro.,CCOC(Cc1ccc(OCCN(CCCC2CCCCC2)C(=O)Oc2cccc(C(F)(F)NO)c2)cc1)C(=O)[O-]
DelComponent,Remove a amine from the molecule CCOC(=O)Cc1csc(Nc2c(F)cccc2Cl)n1.,CCOC(=O)Cc1csc(-c2c(F)cccc2Cl)n1
LogP,Please modify the molecule N#Cc1ccccc1COc1c(Br)cccc1Br to decrease its LogP value.,N#Cc1ccccc1COc1c(Br)cccc1NO
MR,Modify the molecule COc1cccc(Cn2c(C(C)Cl)nc3cccnc32)c1 to increase its MR value.,COc1cccc(Cn2c(C(C)Cl)nc3c(O)ccnc32)c1
QED,Modify the molecule COc1ccc(C(=O)Nc2ccccc2C(=O)NCC2(c3cccc(F)c3)CCOCC2)cc1 to have a lower QED value.,COc1ccc(C(=O)Nc2ccccc2C(=O)NCC2(c3cccc(C#N)c3)CCOCC2)cc1
AtomNum,"Please generate a molecule with 11 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCOC(=O)c1c(NC(=O)C(C)C)n[nH]c1C
BondNum,"Please generate a molecule with 17 single bonds, and 6 aromatic bonds.",CC12CCC3(CCc4cc(O)ccc43)CC1CCC2O
FunctionalGroup,"The molecule contains 1 halo group, and 1 sulfide group.",O=c1nc(C[NH2+]Cc2ccsc2)[nH]c2cc(Cl)ccc12
AddComponent,Please add a benzene ring to the molecule CC(C)n1ccc(C(=O)Nc2nc3c(s2)CCC3)n1.,CC(C)n1ccc(C(=O)Nc2nc3c(s2)CCC3c2ccccc2)n1
SubComponent,Modify the molecule CC([NH2+]Cc1cccc(C#N)c1)C1CC2C=CC1C2 by substituting a nitrile with a aldehyde.,CC(=O)c1cccc(C[NH2+]C(C)C2CC3C=CC2C3)c1
DelComponent,Modify the molecule COCC(=O)N1CCN(C(=O)C(C)Br)CC1 by removing a halo.,CCC(=O)N1CCN(C(=O)COC)CC1
LogP,Please optimize the molecule COc1ccc(NC(=O)C(C)(O)C(F)(F)F)c2c1OCc1ccccc1C2=O to have a higher LogP value.,COc1ccc(NC(=O)C(C)C(F)(F)F)c2c1OCc1ccccc1C2=O
MR,Please modify the molecule O=C(NCCc1ccn(-c2ccccc2)n1)C(c1ccccc1)N1CCS(=O)(=O)CC1 to increase its MR value.,O=C(NCCc1ccn(-c2ccccc2)n1)C(c1ccccc1)N1CCS(=O)(=O)CC1O
QED,Modify the molecule Cc1cccc(NC(=O)c2ccnc(Nc3ccccc3C(C)(C)C)n2)c1 to have a lower QED value.,Cc1cccc(NC(=O)c2ccnc(Nc3cccc(O)c3C(C)(C)C)n2)c1
AtomNum,"The molecule has 17 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",COc1ccccc1CN(CCS(=O)(=O)CC(=O)[O-])Cc1cccs1
BondNum,"Please generate a molecule composed of 24 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",O=C(CC12CC3CC(CC(C3)C1)C2)NC1CC[NH+](Cc2ccccc2)CC1
FunctionalGroup,"The molecule has 3 amine groups, and 2 halo groups.",CC1([NH+]=C(N)OCC(F)F)CCOc2ccc(N)cc21
AddComponent,Modify the molecule O=C1CCCC(Oc2c(Br)cc(F)cc2[N+](=O)[O-])C1 by adding a hydroxyl.,O=C1CCCC(O)(Oc2c(Br)cc(F)cc2[N+](=O)[O-])C1
SubComponent,Modify the molecule halo by substituting a CCN(CC(=O)OC)C(=O)c1c(F)ccc(N)c1F with a hydroxyl.,CCN(CC(=O)OC)C(=O)c1c(O)ccc(N)c1F
DelComponent,Remove a benzene ring from the molecule Cc1ccc(C)c(-n2c(SCC#N)nnc2-c2cccc(Cl)c2)c1.,CCn1c(SCC#N)nnc1-c1cccc(Cl)c1
LogP,Please optimize the molecule CCc1c(NCC(NS(=O)(=O)N(C)C)C(=O)[O-])ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1 to have a higher LogP value.,CCc1c(NCC(NS(=O)(=O)N(C)C)C(=O)[O-])ncnc1N1CCC(c2ccc3c(n2)CCC3)CC1
MR,Please optimize the molecule COc1cccc(C#Cc2cccc(C(F)(F)F)c2)c1 to have a higher MR value.,COc1cccc(C#Cc2cccc(C(F)(F)C#N)c2)c1
QED,Please modify the molecule O=C([O-])CC(NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] to increase its QED value.,N#Cc1cc(C(=O)NC(CC(=O)[O-])C(=O)[O-])c(Cl)cc1Cl
AtomNum,"There is a molecule composed of 12 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CS(=O)c1cnc(N)nc1-c1ccc(C(F)(F)F)cc1
BondNum,"Please generate a molecule with 5 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(Oc2ncc(N)cn2)cc1C
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 hydroxyl group, 1 amide group, 1 amine group, and 4 halo groups.",CCC(CO)ONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1F
AddComponent,Please add a benzene ring to the molecule O=S(=O)(N1CCCC1C=Cc1ccc(C(F)(F)F)cc1)C(F)(F)F.,O=S(=O)(N1CCCC1C=Cc1ccc(C(F)(F)F)cc1-c1ccccc1)C(F)(F)F
SubComponent,Substitute a halo in the molecule CN(C)C(=O)C[NH+](C)Cc1cc(F)ccc1N with a nitro.,CN(C)C(=O)C[NH+](C)Cc1cc(NO)ccc1N
DelComponent,Please remove a benzene ring from the molecule CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cn1cc2ccccc2n1.,CN(Cc1nn[n-]n1)C(=O)Cn1cc2ccccc2n1
LogP,Please modify the molecule COc1cc(C=NNC(=O)CSc2nnc(CNc3ccc(Br)cc3)n2-c2ccccc2)ccc1O to decrease its LogP value.,CC(=O)c1ccc(NCc2nnc(SCC(=O)NN=Cc3ccc(O)c(OC)c3)n2-c2ccccc2)cc1
MR,Modify the molecule Cc1noc(C)c1S(=O)(=O)N(C)CC1OCCCCC(C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N(C(C)CO)CC1C to increase its MR value.,Cc1noc(C)c1S(=O)(=O)N(C)CC1OCCCCC(C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N(C(C)CI)CC1C
QED,Optimize the molecule CC(CO)CSCC(=O)NC(=O)CN1CCCC1=O to have a higher QED value.,CCCC(=O)NC(=O)CSCC(C)CO
AtomNum,"The molecule is composed of 20 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",Cc1ccc(C(=O)NCCCN2c3ccccc3CC2C)c(Cl)c1
BondNum,"The molecule contains 11 single bonds, 4 double bonds, 9 rotatable bonds, and 11 aromatic bonds.",CCCCS(=O)(=O)NCCN(c1cccc2cccnc12)S(C)(=O)=O
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 5 amide groups.",CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cccc(C(=O)NC4CCCCC4)c3)CC2)c1C
AddComponent,Please add a amine to the molecule O=C(c1ccc(Nc2cc(OC3CC3)ncn2)cc1)C(O)c1ccccc1.,Nc1cc(Nc2cc(OC3CC3)ncn2)ccc1C(=O)C(O)c1ccccc1
SubComponent,Modify the molecule halo by substituting a CCC1(C(NN)c2c(F)ccc(Br)c2F)CCCC1 with a thiol.,CCC1(C(NN)c2c(S)ccc(Br)c2F)CCCC1
DelComponent,Remove a benzene ring from the molecule CC(=O)c1ccc(C=CC(=O)n2cccc2)cc1.,CC(=O)C=CC(=O)n1cccc1
LogP,Please optimize the molecule N#CCC(=O)Nc1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1 to have a higher LogP value.,O=C(CCl)Nc1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1
MR,Optimize the molecule Oc1ccc(Br)cc1Cc1cc(Br)ccc1O to have a higher MR value.,CC(=O)c1ccc(O)c(Cc2cc(Br)ccc2O)c1
QED,Please optimize the molecule COc1ccc2c3ccccc3n(CCNC(=O)C3CC3)c2c1 to have a lower QED value.,COc1ccc2c3ccccc3n(CCNC(=O)C3CC3O)c2c1
AtomNum,"The molecule contains 18 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",C[NH+]=C(NCCCSc1ccc(F)cc1)NCCNC(=O)c1ccco1
BondNum,"The molecule contains 1 single bond, and 10 aromatic bonds.",Ic1snc2ccncc12
FunctionalGroup,"The molecule has 1 amide group, 1 amine group, and 2 halo groups.",Nc1ccc2[nH]cc(C(=O)Nc3cc(Cl)nc(Cl)n3)c2c1
AddComponent,Add a benzene ring to the molecule COc1ccc(OC)c(N2C(=O)C(Nc3cc(F)ccc3F)=C(Sc3ccc(C)cc3)C2=O)c1.,COc1ccc(OCc2ccccc2)cc1N1C(=O)C(Nc2cc(F)ccc2F)=C(Sc2ccc(C)cc2)C1=O
SubComponent,Substitute a halo in the molecule CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cc(SCC)cc(C(F)(F)F)c1 with a thiol.,CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cc(SCC)cc(C(F)(F)S)c1
DelComponent,Please remove a COC(=O)NC(C(=O)N1C2CCC(C2)C1c1[nH]c(-c2ccc(-c3ccc4cc(-c5c[nH+]c(C6CC7(CC7)CN6)[nH]5)ccc4c3)cc2)c[nH+]1)C(C)C from the molecule benzene ring.,COC(=O)NC(C(=O)N1C2CCC(C2)C1c1[nH]c(-c2ccc3cc(-c4c[nH+]c(C5CC6(CC6)CN5)[nH]4)ccc3c2)c[nH+]1)C(C)C
LogP,Optimize the molecule OC1c2ccccc2CC1C1[NH2+]CC2CCCC21 to have a higher LogP value.,c1ccc2c(c1)CC(C1[NH2+]CC3CCCC31)C2
MR,Modify the molecule N#CC(C#N)(CCC(F)(F)F)Cc1ccc(C(Br)CBr)cc1 to have a higher MR value.,N#CC(C#N)(CCC(F)(F)NO)Cc1ccc(C(Br)CBr)cc1
QED,Optimize the molecule C=C(C)CN(CC)c1cc(CO)[nH+]c2ccccc12 to have a lower QED value.,CC(=O)Cc1cc(N(CC)CC(=C)C)c2ccccc2[nH+]1
AtomNum,"The molecule is composed of 21 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1ccc(CNC(=O)CNc2ccccc2N2CCCCC2)cc1
BondNum,"There is a molecule with 24 single bonds, 2 double bonds, and 4 rotatable bonds.",O=C([O-])C[NH+]1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 1 sulfone group.",O=C([O-])C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
AddComponent,Please add a benzene ring to the molecule Cc1cc(C(=O)N2CCCC(C(C)C)CC2)cc(NN)n1.,Cc1cc(C(=O)N2CCC(c3ccccc3)C(C(C)C)CC2)cc(NN)n1
SubComponent,Please substitute a halo in the molecule FC(F)(F)c1nc2nc(C(F)(F)F)c(Br)c(Cl)n2n1 with a thiol.,FC(F)(F)c1nc2nc(C(F)(F)S)nn2c(Cl)c1Br
DelComponent,Modify the molecule halo by removing a CC1CSc2ccccc2CN1C(=O)CCOCC(F)F.,CC1CSc2ccccc2CN1C(=O)CCOCCF
LogP,Modify the molecule COC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1Cl to have a lower LogP value.,COC(=O)c1cc(N)ccc1Nc1ccccc1Cl
MR,Modify the molecule CCc1cn(C(C)(C)C)cc1CC to have a higher MR value.,CCc1cn(C(C)(C)CN)cc1CC
QED,Modify the molecule O=C1Cc2cc(C(O)C3C4C5CCC(C5)C43)ccc2N1 to decrease its QED value.,O=C1Cc2cc(CC3C4C5CCC(C5)C34)ccc2N1
AtomNum,"There is a molecule with 25 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",CC(CNC(=O)OC(C)(C)C)C(C)(C)COCC(C)(C)CNC(=O)c1ccc(C=O)cc1
BondNum,"The molecule is composed of 17 single bonds, 4 double bonds, 3 rotatable bonds, and 18 aromatic bonds.",CC(=O)C1C(C(=O)c2ccncc2)C2(C(=O)Nc3ccccc32)C2C=Cc3cc(C)ccc3N12
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 nitro group, 4 halo groups, 1 thioether group, and 1 sulfide group.",O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1Cl
AddComponent,Please add a hydroxyl to the molecule CC(C)CNC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cc(NC(=O)C(C)C)ccc3Cl)CC2)c1.,CC(C)CNC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cc(NC(=O)C(C)C)ccc3Cl)CC2O)c1
SubComponent,Substitute a CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(Cl)cc2F)c1 in the molecule halo with a hydroxyl.,CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(O)cc2F)c1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(-n2nnc(CC(=O)N3CCN(C)c4ccccc4C3)c2C)cc1.,Cc1c(CC(=O)N2CCN(C)c3ccccc3C2)nnn1C
LogP,Please optimize the molecule CCCCN1CC(C)Oc2ccc(Br)nc21 to have a lower LogP value.,CCCCN1CC(C)Oc2cccnc21
MR,Modify the molecule Cc1cc(C)n(CC(=O)N(Cc2ccccc2)C(C)C)n1 to decrease its MR value.,Cc1cc(C)n(C(c2ccccc2)C(C)C)n1
QED,Modify the molecule Cc1cc(=O)n(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(C)n1 to decrease its QED value.,Cc1cc(=O)n(CC(=O)Nc2c(S)cc(Cl)cc2Cl)c(C)n1
AtomNum,"The molecule is composed of 19 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COc1ccc(C=Nn2c(COc3cc(C)cc(C)c3)n[nH]c2=S)cc1
BondNum,"The molecule contains 8 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",Cc1sc(Nc2c(Cl)cc(Br)cc2Cl)nc1C(=O)[O-]
FunctionalGroup,"There is a molecule composed of 1 amine group, and 2 halo groups.",CC(F)(F)c1ccc2nc(Nc3ncccn3)[nH]c2c1
AddComponent,Please add a hydroxyl to the molecule CC[NH+](CC)C(CNC(=O)CCc1nnc(-c2ccc(C)cc2)o1)c1ccccc1.,CC[NH+](CCO)C(CNC(=O)CCc1nnc(-c2ccc(C)cc2)o1)c1ccccc1
SubComponent,Please substitute a halo in the molecule C[NH2+]C(CCc1c(Cl)cnn1CCOC)C(C)C with a aldehyde.,CC(=O)c1cnn(CCOC)c1CCC([NH2+]C)C(C)C
DelComponent,Modify the molecule amide by removing a C[NH2+]CCN(C)C(=O)C1CSCCS1.,C[NH2+]CC(C)[SH]1CCSC1
LogP,Modify the molecule N#Cc1ccc(N2CCCN(C(=O)C34CC5CC(CC(Br)(C5)C3)C4)CC2)cc1 to have a higher LogP value.,N#Cc1ccc(N2CCCC3C4CC5CC(Br)(C4)C3C5CC2)cc1
MR,Modify the molecule CC(C)COc1cccc(C([O-])=C2C(=O)C(=O)N(Cc3ccco3)C2c2ccc(N(C)C)cc2)c1 to have a lower MR value.,CC(C)COc1cccc(C([O-])=C2C(=O)C(=O)N(Cc3ccco3)C2N(C)C)c1
QED,Please modify the molecule COc1ccc(-c2cc(C#N)nn2-c2ccc(Cl)cc2)cc1 to increase its QED value.,COc1ccc(-c2cc(O)nn2-c2ccc(Cl)cc2)cc1
AtomNum,"The molecule contains 20 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CCOC(COCC2CC2)C1
BondNum,"The molecule has 13 single bonds, 3 double bonds, 6 rotatable bonds, and 10 aromatic bonds.",CC(C)C(C)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",CCC(NC(=O)N(CC)CCO)c1ccc(Br)cc1
AddComponent,Please add a benzene ring to the molecule CCOc1ccc(C=O)cc1CC.,CCOc1ccc(C=O)cc1CCc1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1ccc(C=CC(=O)N2CC(O)(C3CC3)C2)c(Br)c1 with a aldehyde.,CC(=O)c1cc(C)ccc1C=CC(=O)N1CC(O)(C2CC2)C1
DelComponent,Remove a benzene ring from the molecule Fc1ccccc1COc1cccnc1Cl.,FCOc1cccnc1Cl
LogP,Please modify the molecule CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCCCC(=O)NCCCCOC to increase its LogP value.,CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCCCCCCOC
MR,Optimize the molecule C#CC1(OC(C)=NO)CCC2C3CCC4=CC(=O)CCC4C3CCC21C to have a higher MR value.,C#CC1(OC(C)=NC#N)CCC2C3CCC4=CC(=O)CCC4C3CCC21C
QED,Modify the molecule CCOC(=O)c1c(NC(=O)C([NH3+])COC)sc2c1CCC2 to have a lower QED value.,CCOC(=O)c1c(NC(=O)C([NH3+])COCc2ccccc2)sc2c1CCC2
AtomNum,"There is a molecule with 56 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",CCCCCCCCN(CCCCCCCC)C(=O)c1cccc(-c2ccc3ccc4ccc(-c5cccc(C(=O)N(CCCCCCCC)CCCCCCCC)n5)nc4c3n2)n1
BondNum,"There is a molecule consisting of 28 single bonds, 4 double bonds, 17 rotatable bonds, and 17 aromatic bonds.",COC(=O)NC(Cc1cccc2ccccc12)C(=O)NC(CCCC(CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)C1CC1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 9 hydroxyl groups, and 7 amide groups.",CC(C)C1NC(=O)C([NH3+])CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)C(O)c2ccc(O)c(O)c2)NC(=O)C2CC(O)CN2C1=O
AddComponent,Please add a hydroxyl to the molecule CCCN1CC(C)Nc2cc(F)ccc21.,CCCN1c2ccc(F)cc2NC(C)C1O
SubComponent,Substitute a halo in the molecule CCOC(=O)C1CCCCC1n1nnnc1C(Nc1ccc2nc[nH]c2c1)c1ccc(Cl)c(F)c1 with a hydroxyl.,CCOC(=O)C1CCCCC1n1nnnc1C(Nc1ccc2nc[nH]c2c1)c1ccc(O)c(F)c1
DelComponent,Please remove a halo from the molecule O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc(OC(F)(F)F)cc1.,O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc(OC(F)F)cc1
LogP,Modify the molecule COCC(CO)COCCCOCC(CCC(C)(C)C)C[NH2+]C(C)(C)C to have a higher LogP value.,COCC(CCl)COCCCOCC(CCC(C)(C)C)C[NH2+]C(C)(C)C
MR,Please modify the molecule COc1ccc(NC(=O)NCCNS(=O)(=O)c2cnc[nH]2)cc1 to decrease its MR value.,CONC(=O)NCCNS(=O)(=O)c1cnc[nH]1
QED,Modify the molecule CNc1cc(C(=O)N(C)CC2CCCO2)ccc1[N+](=O)[O-] to have a lower QED value.,CNc1cc(C(=O)N(C)CC2OCCC2O)ccc1[N+](=O)[O-]
AtomNum,"The molecule is composed of 21 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 sulfur atoms.",Cc1cccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c1
BondNum,"There is a molecule consisting of 23 single bonds, 3 double bonds, and 1 rotatable bond.",CC(C)C1=CC2C(C)(O)CCC2(O)C2(C)CCC=C(CC1)C(=O)O2
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 hydroxyl group, 1 ketone group, and 1 amide group.",Cc1noc(C)c1-c1cc(OCCCCCCC(=O)NO)cc(C(=O)c2ccccc2)c1
AddComponent,Modify the molecule C=CCNS(=O)(=O)Cc1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 by adding a benzene ring.,C=C(CNS(=O)(=O)Cc1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1)c1ccccc1
SubComponent,Modify the molecule nitrile by substituting a C=CCN(CC=C)C(=O)C(C#N)=C[NH2+]CCN(C)C with a halo.,C=CCN(CC=C)C(=O)C(F)=C[NH2+]CCN(C)C
DelComponent,Remove a benzene ring from the molecule CC(C)(C)[Si](C)(C)OC(=O)C(Cc1ccccc1)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.,CC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
LogP,Modify the molecule CCNC(NC(C)CC)=[NH+]Cc1nnc2n1CCCCC2 to increase its LogP value.,CCNC(Cc1nnc2n1CCCCC2)NC(C)CC
MR,Please optimize the molecule Nc1ncc(Cc2cccc3[nH]ccc23)c(Nc2cc(C3CCCC3)[nH]n2)n1 to have a lower MR value.,c1cc(Cc2cncnc2Nc2cc(C3CCCC3)[nH]n2)c2cc[nH]c2c1
QED,Optimize the molecule Cc1c(Cl)cc(C(O)C[NH3+])c(C)c1F to have a lower QED value.,Cc1cc(C)c(C(O)C[NH3+])cc1Cl
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",CC(=O)NCCNC(=O)c1cc(F)c([N+](=O)[O-])cc1F
BondNum,"The molecule consists of 5 single bonds, 1 double bond, 4 rotatable bonds, and 21 aromatic bonds.",Cc1[nH]c2ccccc2c1C(=O)Cn1nnc(-c2ccccc2)n1
FunctionalGroup,The molecule has and 1 hydroxyl group.,COC(=O)N1CC(CC(=O)[O-])CC([NH2+]CCCO)C1
AddComponent,Please add a hydroxyl to the molecule NC(=O)C(Br)Cc1c(Cl)cccc1[N+](=O)[O-].,NC(=O)C(Br)C(O)c1c(Cl)cccc1[N+](=O)[O-]
SubComponent,Please substitute a halo in the molecule N#Cc1cc(F)c2onc(Br)c2c1 with a hydroxyl.,N#Cc1cc(O)c2onc(Br)c2c1
DelComponent,Please remove a COc1ccccc1N1CC[NH+](CC(O)c2ccc3ccccc3c2)CC1 from the molecule benzene ring.,CON1CC[NH+](CC(O)c2ccc3ccccc3c2)CC1
LogP,Please modify the molecule [NH3+]C(Cc1sccc1Br)C1(c2ccccc2)CCCCC1 to decrease its LogP value.,[NH3+]C(Cc1cccs1)C1(c2ccccc2)CCCCC1
MR,Please optimize the molecule CCOCCn1c(=NC(=O)c2ccc3ncsc3c2)sc2cc(Cl)cc(Cl)c21 to have a lower MR value.,CCOCCn1c(=NC(=O)c2ccc3ncsc3c2)sc2cc(O)cc(Cl)c21
QED,Please modify the molecule O=CCCc1cccc(CCl)c1C(F)F to decrease its QED value.,O=C(CCc1cccc(CCl)c1C(F)F)c1ccccc1
AtomNum,"The molecule consists of 13 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(Cc2cc(=O)nc(C(=O)[O-])[nH]2)cc1
BondNum,"Please generate a molecule consisting 11 single bonds, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cc(OCC2CCC[NH2+]C2)ccc1C#N
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, and 1 sulfone group.",CCCCN(C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)c1ccccc1
AddComponent,Modify the molecule CCc1ccc(N(C(=O)[O-])c2ccc(CC)cc2)cc1 by adding a amine.,CCc1ccc(N(C(=O)[O-])c2ccc(CC)cc2N)cc1
SubComponent,Modify the molecule halo by substituting a Nc1ncc(I)cc1-c1ccncc1 with a thiol.,Nc1ncc(S)cc1-c1ccncc1
DelComponent,Please remove a amide from the molecule Cc1ccc2nc(NC3CNC(=O)C3)nn2c1.,CCNc1nc2ccc(C)cn2n1
LogP,Please optimize the molecule OC1CCC(Cc2cc(-c3ccccc3)on2)OC1C[NH2+]C1CCOCC1 to have a higher LogP value.,OC1CCC(Cc2noc(-c3ccccc3)c2-c2ccccc2)OC1C[NH2+]C1CCOCC1
MR,Optimize the molecule CC(C)C[NH+](CC(=O)[O-])C1CC(C)(C)OC1(C)C to have a higher MR value.,CC(C)C[NH+](CC(=O)[O-])C1CC(C)(CO)OC1(C)C
QED,Please modify the molecule C=CCOC12Oc3ccc(OC(=O)Nc4ccc(OC)cc4OC)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOCc4ccccc4)CC1N(Cc1ccc(F)cc1)C(=O)OCCOCc1ccccc1)C32 to decrease its QED value.,C=CCOC12Oc3ccc(OC(=O)Nc4ccc(OC)cc4OC)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOCc4ccccc4)CC1N(Cc1ccc(S)cc1)C(=O)OCCOCc1ccccc1)C32
AtomNum,"The molecule has 21 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COCCCN1C(=O)CCC2CN(C(=O)COc3cccc(C)c3)CCC21
BondNum,"Please generate a molecule consisting 16 single bonds, 2 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCC(CC)n1nc(C(=O)N2CCC(C(=O)[O-])C2C)cc1C
FunctionalGroup,"The molecule has 2 benzene ring groups, and 2 amide groups.",Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](CC(=O)NC(C)(C)C)CC3)cc2C(=O)[O-])c1
AddComponent,Add a carboxyl to the molecule CC(CCCC(CO)(CO)CO)=NO.,CC(CC(CC(CO)(CO)CO)C(=O)O)=NO
SubComponent,Please substitute a COc1ccccc1C[NH2+]C1C(c2ccccc2)NCCC1(CCCC=O)c1ccc(F)cc1 in the molecule halo with a hydroxyl.,COc1ccccc1C[NH2+]C1C(c2ccccc2)NCCC1(CCCC=O)c1ccc(O)cc1
DelComponent,Please remove a O=C([O-])c1cc(SCCCCO)ccc1Cl from the molecule hydroxyl.,CCCCSc1ccc(Cl)c(C(=O)[O-])c1
LogP,Optimize the molecule COCC1(C(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)CCC1 to have a lower LogP value.,Cc1ccc2nc(CN(C)C(=O)C3(COCN)CCC3)[nH]c2c1
MR,Optimize the molecule Nc1nc(COC(=O)c2ccc(Cl)nc2)nc(Nc2ccccc2)n1 to have a lower MR value.,Nc1nc(COC(=O)c2cccnc2)nc(Nc2ccccc2)n1
QED,Modify the molecule FC(F)(F)c1cc(N(CC2CC2)CC2CC2)nc(Cl)n1 to have a lower QED value.,FC(F)c1cc(N(CC2CC2)CC2CC2)nc(Cl)n1
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 3 fluorine atoms, and 1 bromine atom.",O=C(Nc1cccc(C(F)(F)F)c1)N1CCCC(c2nc(-c3ccc(Br)cc3)no2)C1
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 2 rotatable bonds, and 18 aromatic bonds.",O=c1cc(-c2c(Cl)cc(Cl)cc2Cl)[nH]c(-c2c(Cl)cc(Cl)cc2Cl)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 halo groups.",O=C([O-])CCc1ccc(OC(F)F)c([S-])c1
AddComponent,Modify the molecule Cc1c(CN2CCN(C)C2=O)sc2c1c(=O)n(CC(F)(F)F)c(=O)n2CCC(F)(F)F by adding a hydroxyl.,Cc1c(CN2C(=O)N(C)CC2O)sc2c1c(=O)n(CC(F)(F)F)c(=O)n2CCC(F)(F)F
SubComponent,Please substitute a halo in the molecule CCCCc1cc(=O)oc2cc(OCc3ccc(F)cc3F)ccc12 with a aldehyde.,CC(=O)c1ccc(COc2ccc3c(CCCC)cc(=O)oc3c2)c(F)c1
DelComponent,Modify the molecule CCCOc1nc(NCC)nc(N2CCOC(C)(C)C2)n1 by removing a amine.,CCCOc1nc(CC)nc(N2CCOC(C)(C)C2)n1
LogP,Modify the molecule CC(C)=CCOc1ccc(CC(CO)N2C(=O)C(NC=O)CC23CCC2(CC3)OCCCCO2)cc1 to have a higher LogP value.,CC(C)=CCOc1ccc(CC(CC#N)N2C(=O)C(NC=O)CC23CCC2(CC3)OCCCCO2)cc1
MR,Optimize the molecule COC1CC(OC2CCC3(C)C(CC(OC(=O)C=Cc4ccccc4)C4(C)C(=O)CCC4C(C)=O)C(=O)C=CC3(O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O to have a lower MR value.,C=CC(=O)OC(CC1C(=O)C=CC2(O)CC(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)CCC12C)C1(C)C(=O)CCC1C(C)=O
QED,Optimize the molecule O=C(NCCc1cccc(Cl)c1)c1cncc(NCC[NH+]2CCOCC2)c1 to have a lower QED value.,N#Cc1cccc(CCNC(=O)c2cncc(NCC[NH+]3CCOCC3)c2)c1
AtomNum,"The molecule contains 22 carbon atoms, 4 oxygen atoms, and 7 nitrogen atoms.",Cc1ccccc1Nc1nc(N)nc(COC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n1
BondNum,"The molecule consists of 26 single bonds, 2 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",COc1ccc(CC2c3cc(OC)c(OC)cc3CCC[NH+]2C(C(=O)NC2CCOC2=O)c2ccccc2)cc1OC
FunctionalGroup,Please generate a molecule consisting and 1 hydroxyl group.,CC1=C2CCC(C)C2C2C(CC1O)C2(C)C
AddComponent,Modify the molecule O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 by adding a hydroxyl.,O=C(C=Cc1oc(-c2ccc([N+](=O)[O-])cc2)cc1O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
SubComponent,Modify the molecule hydroxyl by substituting a CCC[NH+](CCC(CC)C(=O)ONC(=O)CCCCCCC(=O)Nc1ccccc1)Cc1ccc(-n2c(-c3cc(C(C)C)c(O)cc3O)n[nH]c2=O)cc1 with a carboxyl.,CCC[NH+](CCC(CC)C(=O)ONC(=O)CCCCCCC(=O)Nc1ccccc1)Cc1ccc(-n2c(-c3cc(C(C)C)c(C(=O)[OH])cc3O)n[nH]c2=O)cc1
DelComponent,Modify the molecule benzene ring by removing a C=CCc1ccccc1OCC(=O)Nc1ccccc1C(=O)OC.,C=CCc1ccccc1OCC(=O)NC(=O)OC
LogP,Modify the molecule O=C([O-])C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F to have a lower LogP value.,O=C([O-])C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)F)C(F)(F)F
MR,Please optimize the molecule OCc1nc(-c2cccc(-c3ncnc4cc(N5CCOCC5)ccc34)c2)cs1 to have a higher MR value.,BrCc1nc(-c2cccc(-c3ncnc4cc(N5CCOCC5)ccc34)c2)cs1
QED,Modify the molecule Cc1[nH][nH]c(=O)c1CC(C)C(=O)NN to increase its QED value.,CNCc1c(C)[nH][nH]c1=O
AtomNum,"Please generate a molecule with 11 carbon atoms, and 5 nitrogen atoms.",CCc1nn(C)cc1C[NH2+]Cc1ccn[nH]1
BondNum,"The molecule is composed of 12 single bonds, 3 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CC1CC1c1ccc(CN(C)S(=O)(=O)c2ccc(C(N)=O)cc2)o1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, and 2 halo groups.",CCCNc1ccc(COc2ccc(Br)cc2Br)cn1
AddComponent,Add a hydroxyl to the molecule COC(C)(C)CC(C)[NH+](C)C(C)C(=O)[O-].,COC(C)(C)CC(CO)[NH+](C)C(C)C(=O)[O-]
SubComponent,Please substitute a halo in the molecule C[NH2+]CCCc1cccc(F)c1F with a aldehyde.,CC(=O)c1cccc(CCC[NH2+]C)c1F
DelComponent,Please remove a CCc1oc(-c2ccc(SC)cc2)cc1C[NH2+]CCOC from the molecule benzene ring.,CCc1oc(SC)cc1C[NH2+]CCOC
LogP,Please optimize the molecule O=C([O-])CC(NC(=O)Cc1csc(NC(=O)N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1 to have a lower LogP value.,CC(=O)c1ccc(C(CC(=O)[O-])NC(=O)Cc2csc(NC(=O)N3CCOCC3)n2)cc1Cl
MR,Please modify the molecule CC1=C(C2COc3ccccc3O2)c2ccccc2C1C1C(=O)Nc2c(Br)cc(Br)c(C)c21 to decrease its MR value.,CC1=C(C2COc3ccccc3O2)c2ccccc2C1C1C(=O)Nc2c(NO)cc(Br)c(C)c21
QED,Please modify the molecule CC(=O)N1CCCN(C(=O)c2cn[nH]n2)CC1 to decrease its QED value.,O=C(c1cn[nH]n1)N1CCCCC1
AtomNum,"There is a molecule composed of 28 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 3 sulfur atoms.",Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)NCC2CC3(CCCCCCC3)CS2)CC1
BondNum,"Please generate a molecule with 12 single bonds, 3 double bonds, 6 rotatable bonds, and 23 aromatic bonds.",CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cn1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ketone group, 1 amine group, 1 thioether group, and 1 sulfide group.",CC(C)Cn1c(N)c(C(=O)CSc2[nH+]cc(-c3ccccc3)n2C)c(=O)[nH]c1=O
AddComponent,Modify the molecule Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(N2CCOCC2)cc1 by adding a hydroxyl.,Cc1cc(Oc2ncccn2)cc(O)c1NC(=O)c1ccc(N2CCOCC2)cc1
SubComponent,Substitute a halo in the molecule CCOC(=O)C([NH2+]Cc1cccs1)c1ccc(F)cc1 with a nitrile.,CCOC(=O)C([NH2+]Cc1cccs1)c1ccc(C#N)cc1
DelComponent,Please remove a amine from the molecule Cc1cccc(Nc2nnc(SCc3cccc(C(N)=O)c3)s2)c1C.,Cc1cccc(-c2nnc(SCc3cccc(C(N)=O)c3)s2)c1C
LogP,Modify the molecule [NH3+]C(CC(=O)[O-])C(=O)NCCc1cccc(F)c1 to have a higher LogP value.,[NH3+]C(CC(=O)[O-])C(=O)NCCc1cccc(S)c1
MR,Please optimize the molecule CCC(C)C(NC(=O)C(CC(N)=O)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(CS)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C([NH3+])CCCC[NH3+])C(C)O)C(C)O)C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(CS)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1ccccc1)C(=O)C([NH3+])C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(CCCNC(N)=[NH2+])C(=O)N1CCCC1C(=O)NC(C(=O)NC(CS)C(=O)NC(C)C(=O)NC(CCCC[NH3+])C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NCC(=O)NC(CS)C(=O)NC(CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)NCC(=O)NC(C(=O)NC(CCCC[NH3+])C(=O)NC(CS)C(=O)NC(CC(=O)[O-])C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC1C=NC=[NH+]1)C(=O)[O-])C(C)O)C(C)CC)C(C)CC)C(C)C)C(C)O to have a lower MR value.,CCC(C)C(NC(=O)C(CC(N)=O)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C([NH3+])CCCC[NH3+])C(C)O)C(C)O)C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(CS)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1ccccc1)C(=O)C([NH3+])C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(CCCNC(N)=[NH2+])C(=O)N1CCCC1C(=O)NC(C(=O)NC(CS)C(=O)NC(C)C(=O)NC(CCCC[NH3+])C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NCC(=O)NC(CS)C(=O)NC(CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)NCC(=O)NC(C(=O)NC(CCCC[NH3+])C(=O)NC(CS)C(=O)NC(CC(=O)[O-])C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC1C=NC=[NH+]1)C(=O)[O-])C(C)O)C(C)CC)C(C)CC)C(C)C)C(C)O
QED,Optimize the molecule O=C(c1ccc(C(F)(F)F)nc1)N1CCC(c2nc3ccccc3s2)CC1 to have a higher QED value.,O=C(c1ccc(C(O)(F)F)nc1)N1CCC(c2nc3ccccc3s2)CC1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 1 nitrogen atom, and 2 fluorine atoms.",CC([NH2+]Cc1ccc(F)c(F)c1)c1ccc2c(c1)CCCC2
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",COc1ccc(C(=O)NC(CC(C)C)c2nc(C)c(C)s2)cc1C
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,O=C(NCCCOCc1ccco1)c1cc(=O)c2ccccc2o1
AddComponent,Please add a amine to the molecule CCOC(=O)Cn1nnc(CN2C(=O)c3ccccc3C2=O)n1.,CC(N)OC(=O)Cn1nnc(CN2C(=O)c3ccccc3C2=O)n1
SubComponent,Please substitute a FC(F)Oc1c(CCl)ccc2sc(Br)cc12 in the molecule halo with a hydroxyl.,OC(F)Oc1c(CCl)ccc2sc(Br)cc12
DelComponent,Remove a nitrile from the molecule N#Cc1sc(NCC(F)F)c(C(N)=O)c1N.,NC(=O)c1c(N)csc1NCC(F)F
LogP,Optimize the molecule Cc1nnc2n1-c1ccc(C#CC(C)(C)[NH3+])cc1N(c1ccc(Cl)cc1)CC2C to have a lower LogP value.,Cc1nnc2n1-c1ccc(C#CC(C)(C)[NH3+])cc1N(c1ccccc1)CC2C
MR,Please modify the molecule Cc1ccc(C(C[NH3+])CCO)s1 to decrease its MR value.,CCC(C[NH3+])c1ccc(C)s1
QED,Modify the molecule CC[NH+](CC)CCCN1C(=O)CC(C)C(C(=O)[O-])C1C to have a higher QED value.,CC[NH+](CC)CCCN1C(=O)C(c2ccccc2)C(C)C(C(=O)[O-])C1C
AtomNum,"The molecule consists of 32 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",CCCNC(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccccc3C(=O)NC)C(C)C)CC2)ccc1Cl
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",CNC(=O)c1c(N2CC[NH2+]CC2)sc(C(=O)OC)c1N
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, and 1 amine group.",CN(N)C(=O)C(C)(C)c1ccc(-c2ccccc2)cc1
AddComponent,Modify the molecule COCc1ccc(Nc2scnc2C(=O)[O-])cc1 by adding a benzene ring.,COCc1ccc(Nc2sc(-c3ccccc3)nc2C(=O)[O-])cc1
SubComponent,Please substitute a hydroxyl in the molecule CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)C1c1ccc([O-])c([N+](=O)[O-])c1 with a carboxyl.,CCOC(=O)c1ccccc1N1C(=O)C(C(=O)[OH])=C(c2cccc3ccccc23)C1c1ccc([O-])c([N+](=O)[O-])c1
DelComponent,Modify the molecule halo by removing a CCOC(=O)CCCc1nc(-c2c[nH+]c(C)[nH]2)oc1-c1ccc(F)c2ccccc12.,CCOC(=O)CCCc1nc(-c2c[nH+]c(C)[nH]2)oc1-c1cccc2ccccc12
LogP,Please optimize the molecule Cc1ccc(Nc2c(C#N)cnc3cc(-c4csc(C[NH+]5CCC([NH+]6CCCC6)CC5)c4)ccc23)c(C)c1 to have a lower LogP value.,Cc1ccc(-c2c(C#N)cnc3cc(-c4csc(C[NH+]5CCC([NH+]6CCCC6)CC5)c4)ccc23)c(C)c1
MR,Please modify the molecule Cc1csc(=O)n1CC(=O)NC(Cc1cnc[nH]1)C(=O)[O-] to increase its MR value.,Cc1c(O)sc(=O)n1CC(=O)NC(Cc1cnc[nH]1)C(=O)[O-]
QED,Optimize the molecule CCCC(NC(=O)CC1CC2CCC(C1)[NH2+]2)c1cccc(C(F)(F)F)c1 to have a lower QED value.,CCCC(NC(=O)CC1CC2CCC(C1)[NH2+]2)c1cccc(C(F)F)c1
AtomNum,"There is a molecule with 29 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1cc(Cl)ccc1N1C(=O)C(Sc2ccccc2)=C([NH+]2CCN(c3cccc(C)c3C)CC2)C1=O
BondNum,"The molecule contains 22 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",O=C(c1ccccc1F)N1CC2COCCN2C2(C1)C[NH+](Cc1ccc(O)c(O)c1)C2
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ester group, and 2 amide groups.",COC(=O)C1CCC(NC(=O)c2ccc(N3CCCCC3=O)cc2)C1
AddComponent,Modify the molecule COc1ccc(C2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(OC)c(OC)c2)cc1OC by adding a hydroxyl.,COc1ccc(C2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(OC)c(OCO)c2)cc1OC
SubComponent,Substitute a halo in the molecule OC(CNc1ccc2nccnc2c1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 with a carboxyl.,O=C([OH])C(F)(F)c1cc(C(O)CNc2ccc3nccnc3c2)c2cccc(C(F)(F)F)c2n1
DelComponent,Remove a O=C(CCc1ccccc1)N1CCC(O)(C[NH2+]C2CCCCC2)C(O)C1 from the molecule amide.,OC1C(Cc2ccccc2)CCC1(O)C[NH2+]C1CCCCC1
LogP,Please optimize the molecule Cn1c(=O)c2nc(-c3ccc(OCC[NH+]4CCOCC4)cc3)nnc2n(Cc2ccc(F)c(F)c2)c1=O to have a lower LogP value.,Cn1c(=O)c2nc(-c3ccc(OCC[NH+]4CCOCC4)cc3)nnc2n(Cc2cccc(F)c2)c1=O
MR,Optimize the molecule Cc1ccc(-c2noc(CO)c2-c2cc(F)c(S(C)(=O)=O)cc2F)cc1Br to have a higher MR value.,Cc1ccc(-c2noc(CO)c2-c2cc(S)c(S(C)(=O)=O)cc2F)cc1Br
QED,Modify the molecule Brc1cccc(SCC2C[NH2+]CCO2)c1 to decrease its QED value.,Oc1cccc(SCC2C[NH2+]CCO2)c1
AtomNum,"There is a molecule composed of 39 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 fluorine atom.",CCC(C)NC(=O)c1cccc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4cccc(F)c4)ccc3C)CC2)C(C)C)c1C
BondNum,"The molecule is composed of 3 single bonds, 2 double bonds, 2 rotatable bonds, and 32 aromatic bonds.",O=c1oc2ccc3ccccc3c2cc1-c1csc(-c2cc3cc(Br)ccc3oc2=O)n1
FunctionalGroup,The molecule contains and 1 benzene ring group.,Cc1cc(C)cc(CN2CC(C3CC3)[NH2+]CC2C)c1
AddComponent,Modify the molecule C=CCOc1ccc(C=CC(=O)N2CC3CC34C2=CC(=O)c2[nH]c(C)c(C(=O)OC)c24)cc1 by adding a hydroxyl.,C=C(O)COc1ccc(C=CC(=O)N2CC3CC34C2=CC(=O)c2[nH]c(C)c(C(=O)OC)c24)cc1
SubComponent,Please substitute a CC(C)(C)c1nnnn1-c1ccc(N)cc1F in the molecule halo with a thiol.,CC(C)(C)c1nnnn1-c1ccc(N)cc1S
DelComponent,Modify the molecule halo by removing a COC(=O)c1ccnc(-c2ccccc2OC(F)(F)F)c1N.,COC(=O)c1ccnc(-c2ccccc2OC(F)F)c1N
LogP,Optimize the molecule COc1ccc(Cn2c(-c3csc(-c4ccc(C)nc4)n3)cc(C(=O)NCCC3=CCCCC3)c2C)cc1 to have a higher LogP value.,COc1ccc(Cn2c(-c3csc(-c4ccc(C)nc4)n3)c-c2(C)CCC2=CCCCC2)cc1
MR,Please modify the molecule O=C(NC1CCCOc2cc(Cl)ccc21)N1CCC1 to decrease its MR value.,N#Cc1ccc2c(c1)OCCCC2NC(=O)N1CCC1
QED,Modify the molecule CCCC(C)C(C)CNC(=O)CC(CC(=O)NCC(C)C(C)CCC)C(=O)NCC(C)C(C)CCC to increase its QED value.,CCCC(C)C(C)CNC(=O)CC(CC(C)C(C)CCC)C(=O)NCC(C)C(C)CCC
AtomNum,"There is a molecule composed of 28 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 6 fluorine atoms.",COc1ccc(C(C(=O)N(C)CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[NH+]2CCN(C(C)C)CC2)cc1OC
BondNum,"The molecule has 39 single bonds, 5 double bonds, 12 rotatable bonds, and 12 aromatic bonds.",Cc1cc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC4CCCC4)c3C)CC2)C(C)C)ccc1NC(=O)C1CCCCC1
FunctionalGroup,Please generate a molecule composed of and 1 sulfone group.,CC1=C2CC3C(CCC4CC(OS(C)(=O)=O)CCC43C)C2CCC12OC1CC(C)CN(C(=O)OCC3=CC=CCC3)C1C2C
AddComponent,Please add a hydroxyl to the molecule COc1ccc(C)c2c(CC=O)c(C)[nH]c12.,COc1ccc(CO)c2c(CC=O)c(C)[nH]c12
SubComponent,Substitute a COc1ccc(C23C(=O)N(Nc4ccc(Cl)cc4Cl)C(=O)C2CC2C(=CCC4C(=O)N(C)C(=O)C42)C3c2ccc(O)cc2)cc1 in the molecule hydroxyl with a nitro.,COc1ccc(C23C(=O)N(Nc4ccc(Cl)cc4Cl)C(=O)C2CC2C(=CCC4C(=O)N(C)C(=O)C42)C3c2ccc(NO)cc2)cc1
DelComponent,Remove a Cc1cc(CN2CC[NH+](CC(=O)Nc3ccc(Oc4ccccc4Cl)cc3)CC2)on1 from the molecule halo.,Cc1cc(CN2CC[NH+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)on1
LogP,Please modify the molecule CCC(CCO)[NH2+]C(CC)c1ccccc1O to increase its LogP value.,CCC(CC)[NH2+]C(CC)c1ccccc1O
MR,Please modify the molecule COc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1NC(=O)c1ccccc1S(=O)(=O)C(F)F to decrease its MR value.,COc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1NC(=O)c1ccccc1S(=O)(=O)CF
QED,Optimize the molecule CC(C)CCn1c(C(C)C)ccc(C#N)c1=O to have a higher QED value.,CC(C)CCn1c(C(C)C)ccc(C(=O)[OH])c1=O
AtomNum,"The molecule consists of 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)N1CCN(C(=O)CCSc2ccc(C)cc2)CC1
BondNum,"The molecule has 6 single bonds, 5 rotatable bonds, and 25 aromatic bonds.",CCCn1c2ccccc2c2nnc(SCc3cn4ccccc4[nH+]3)nc21
FunctionalGroup,"Please generate a molecule with 1 ketone group, 1 amine group, and 1 halo group.",Nc1ccc2c(c1Cl)C(=O)CO2
AddComponent,Please add a thiol to the molecule CCCCOCC(OC(Sc1ccccc1)C(COCCCC)OCCCC)C(C)OCCCC.,CCCCOCC(OCCCC)C(OC(COCC(S)CC)C(C)OCCCC)Sc1ccccc1
SubComponent,Please substitute a halo in the molecule CN(CCC(F)(F)F)c1cccc(F)c1C[NH3+] with a carboxyl.,CN(CCC(F)(F)C(=O)[OH])c1cccc(F)c1C[NH3+]
DelComponent,Remove a COC(=O)N1CCC([NH+]2CCc3cc(OC)c(OC)cc3C2)C(OC(=O)c2ccccc2)C1 from the molecule benzene ring.,COC(=O)N1CCC([NH+]2CCc3cc(OC)c(OC)cc3C2)C(OC=O)C1
LogP,Modify the molecule Cc1cc(N)nn1C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2 to have a higher LogP value.,Cc1cc(N)nn1C(=O)C(Sc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2)c1ccccc1
MR,Modify the molecule C=C(CCl)C(C(=O)O[Si](C)(C)C)N1C(=O)C(NC(=O)C=CCCCC#N)C1Cl to decrease its MR value.,C=C(CCl)C(C(=O)O[Si](C)(C)C)N1C(=O)C(NC(=O)C=CCCCNO)C1Cl
QED,Optimize the molecule CCc1nnc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)s1 to have a lower QED value.,CCc1nnc(NC(=O)c2ccccc2SCc2ccc(C(=O)[OH])cc2)s1
AtomNum,"The molecule consists of 9 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",C[NH+]1CCCC1N1C(=O)OCC1C[NH3+]
BondNum,"Please generate a molecule consisting 23 single bonds, 3 double bonds, and 3 rotatable bonds.",CC12CCC3C(CCC(=NO)C3(C)CCC(=O)[O-])C1CCC(=O)N2
FunctionalGroup,"The molecule consists of 1 thioether group, and 1 thiol group.",SCC1(C[NH+]2CCCC2C2CCCC2)CCCCCC1
AddComponent,Modify the molecule Fc1cccc(F)c1N1CCCC([NH2+]C2CC2)C1 by adding a hydroxyl.,OC1CCN(c2c(F)cccc2F)CC1[NH2+]C1CC1
SubComponent,Modify the molecule halo by substituting a CCOC(=O)C(=O)c1[nH]c2cc(Cl)ccc2c1C with a aldehyde.,CC(=O)c1ccc2c(C)c(C(=O)C(=O)OCC)[nH]c2c1
DelComponent,Please remove a [NH3+]C1CC[NH+](C2CCN(C(=O)CCC3CCCO3)C2)CC1 from the molecule amide.,[NH3+]C1CC[NH+](C2CCC(C3CCCO3)C2)CC1
LogP,Please optimize the molecule COC(C=O)c1ccc(C)cc1 to have a lower LogP value.,COC(C)C=O
MR,Please optimize the molecule O=C(Cc1ccc(F)cc1F)N1CC(CF)C1 to have a higher MR value.,O=C(Cc1cc(-c2ccccc2)c(F)cc1F)N1CC(CF)C1
QED,Please modify the molecule C=CCOc1c(Br)cc(C=C2SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OCC to increase its QED value.,C=CCOc1c(Br)cc(CSC(=S)c2ccc(Br)c(Cl)c2)cc1OCC
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CN(C)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1
BondNum,"There is a molecule with 14 single bonds, 2 double bonds, 6 rotatable bonds, and 23 aromatic bonds.",O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1
FunctionalGroup,"The molecule consists of 2 ketone groups, and 1 halo group.",CCC(C)=C(OCl)C(=O)CC(C)=O
AddComponent,Please add a hydroxyl to the molecule CC(C)CC1CN(C(C)(C)C(=O)[O-])c2ccccc2N1.,CC(C)CC1CN(C(C)(C)C(=O)[O-])c2c(O)cccc2N1
SubComponent,Substitute a halo in the molecule Brc1cc(C[NH2+]C2CCCNC2)co1 with a aldehyde.,CC(=O)c1cc(C[NH2+]C2CCCNC2)co1
DelComponent,Remove a hydroxyl from the molecule CCC(C)(C[NH3+])C[NH+]1CCC2(O)CCCCC2C1.,CCC(C)(C[NH3+])C[NH+]1CCC2CCCCC2C1
LogP,Please optimize the molecule CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCC(O)c4cc(OC)cc(OC)c4)C(OC)C3)C(C)CCC1=O)C(C)CC2OC to have a lower LogP value.,CCC1C(=O)CCC(C)C(C(C)=CC2CCC(OCC(O)c3cc(OC)cc(OC)c3)C(OC)C2)OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(C(OC)CC(C)CC(C)=C1N)C(OC)CC2C
MR,Please modify the molecule O=C(c1cccc2nccnc12)N1CCOC(c2ccc(Cl)cc2)C1 to decrease its MR value.,O=C(c1cccc2nccnc12)N1CCOC(c2ccc(O)cc2)C1
QED,Optimize the molecule CC(C)C([NH3+])CC[NH+](C)CC(C)(O)c1ccccc1 to have a higher QED value.,CC(C[NH+](C)CCC([NH3+])C(C)C)c1ccccc1
AtomNum,"There is a molecule consisting of 38 carbon atoms, and 8 oxygen atoms.",COC(=O)C1C(C)C2CC1C(C1C3CCC(C3)C1C1C(=O)OC(=O)C1C)C2C1C(C)C2CC(C(CC(=O)OC(C)(C)C)OC)C1C2
BondNum,"There is a molecule consisting of 17 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C(=Cc2cc(Cl)nc(Cl)c2)OC(N)=[NH+]O)cc1OC1CCCC1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 5 amide groups, and 1 halo group.",COc1ccccc1C(=O)Nc1cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NCC(C)C)c3)CC2)ccc1C
AddComponent,Please add a hydroxyl to the molecule CCN(c1cccc(F)c1)C(C[NH3+])c1ccc(F)c(Br)c1.,CCN(c1cccc(F)c1)C(O)(C[NH3+])c1ccc(F)c(Br)c1
SubComponent,Please substitute a halo in the molecule FC(F)CNCc1cccc(OCc2ccccc2)c1 with a hydroxyl.,OC(F)CNCc1cccc(OCc2ccccc2)c1
DelComponent,Modify the molecule CN(C)c1ccc(NC(=O)CN(C2CCCC2)S(C)(=O)=O)cc1 by removing a benzene ring.,CN(C)NC(=O)CN(C1CCCC1)S(C)(=O)=O
LogP,Please modify the molecule Cc1ccc(C(=O)Cc2ncccc2C)c(Br)c1 to decrease its LogP value.,Cc1ccc(C(=O)Cc2ncccc2C)c(S)c1
MR,Optimize the molecule Cc1cc(C)c2nc(NCCNC(=O)c3ccccc3F)c(C#N)cc2c1 to have a higher MR value.,Cc1cc(C)c2nc(NCCNC(=O)c3ccccc3)c(C#N)cc2c1
QED,Modify the molecule Cc1cc(C)n2cc(C[NH+](C)C3CCCCC3O)nc2n1 to increase its QED value.,Cc1cc(C)n2cc(C[NH+](C)C3CCCCC3)nc2n1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",CC[NH+](CC)CCCC(C)NC(=O)c1cnc(N)c(Cl)c1
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",O=C(NC1CCC1)c1ccc(-c2cc(Cl)ccc2O)cc1F
FunctionalGroup,"The molecule has 2 ketone groups, 1 amide group, and 2 halo groups.",CCC(=O)CCCN1C(=O)C(=O)c2cc(F)cc(F)c21
AddComponent,Please add a aldehyde to the molecule CCN1CCN(c2ccc3c(-c4ccccc4C(=O)[O-])c4cc(Cl)c(=O)cc-4oc3c2)CCN(CC)CC[NH+](Cc2ccccn2)CC1.,CCN1CCN(c2ccc3c(-c4ccccc4C(=O)[O-])c4cc(Cl)c(=O)cc-4oc3c2)CC(CC=O)N(CC)CC[NH+](Cc2ccccn2)CC1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)C12c3oc4ccccc4c3CC[NH+]1CCCC2O with a thiol.,CC(C)C12c3oc4ccccc4c3CC[NH+]1CCCC2S
DelComponent,Remove a Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(C)[NH+]3CCC(C(=O)NC(C(=O)Nc4c(C)cccc4C(=O)NC(C)C)C(C)C)CC3)c2)cc1F from the molecule halo.,Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(C)[NH+]3CCC(C(=O)NC(C(=O)Nc4c(C)cccc4C(=O)NC(C)C)C(C)C)CC3)c2)cc1
LogP,Please modify the molecule Brc1cnc(N2CCC(c3nnc4ccc(N5CCC5)nn34)CC2)nc1 to decrease its LogP value.,c1cnc(N2CCC(c3nnc4ccc(N5CCC5)nn34)CC2)nc1
MR,Please modify the molecule COCCCn1c(=S)[nH]c2cc(C(=O)NCc3ccc(OC(F)F)cc3)ccc2c1=O to increase its MR value.,COCCCn1c(=S)[nH]c2cc(C(=O)NCc3ccc(OC(O)F)cc3)ccc2c1=O
QED,Modify the molecule CCC(=O)C(O)CCC(C)C to decrease its QED value.,CCC(=O)CCCC(C)C
AtomNum,"There is a molecule consisting of 17 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1cccc(NC(=O)C(C)Nc2cccc(CO)c2)c1
BondNum,"There is a molecule consisting of 7 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",Cc1ccn(CCCc2ccccc2)c1C(=O)[O-]
FunctionalGroup,"Please generate a molecule with 1 amide group, and 2 amine groups.",CCc1c(N)c2cnc(NC3CCC(NC(C)=O)CC3)nc2n(C2CCCC2)c1=O
AddComponent,Please add a benzene ring to the molecule Cc1cccc(CC(CNC(=O)C(C)(C)NS(C)(=O)=O)C(=O)[O-])c1.,Cc1cc(CC(CNC(=O)C(C)(C)NS(C)(=O)=O)C(=O)[O-])ccc1-c1ccccc1
SubComponent,Substitute a halo in the molecule CCOC(=O)c1c(NC(=O)C(=O)NN=C(C)c2ccc(OCc3ccccc3Cl)cc2)sc2c1CCCC2 with a aldehyde.,CC(=O)c1ccccc1COc1ccc(C(C)=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1
DelComponent,Please remove a hydroxyl from the molecule COc1ncc(O)cc1OC(F)(F)F.,COc1ncccc1OC(F)(F)F
LogP,Modify the molecule CCCNc1ncc(F)c(NCC(C)(C)CCOC)n1 to increase its LogP value.,CC(=O)c1cnc(NCCC)nc1NCC(C)(C)CCOC
MR,Optimize the molecule Nc1c([S-])ccc2c(I)csc12 to have a lower MR value.,Nc1c([S-])ccc2c(C(=O)[OH])csc12
QED,Modify the molecule NC(=O)Cc1ccc2ccn(C3CCN(C(F)Cc4ccc(F)cc4)CC3)c2c1 to increase its QED value.,NC(=O)Cc1ccc2ccn(C3CCN(C(F)CF)CC3)c2c1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, 2 fluorine atoms, and 1 bromine atom.",Nc1ncc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)cn1
BondNum,"The molecule is composed of 7 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",NC(=O)CCNc1cccc(Oc2ccccc2)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 1 halo group.",COc1cc(F)c(C(=O)N2CC[NH2+]C(C)C2C)cc1OC
AddComponent,Modify the molecule C=C[Si](C)(C)O[Si](C)(C=C)O[Si](C)(O[Si](C)(C)C=C)C1CCCCC1 by adding a carboxyl.,C=C[Si](C)(C)O[Si](C)(C=C)O[Si](C)(O[Si](C)(C)C=C)C1(C(=O)O)CCCCC1
SubComponent,Modify the molecule halo by substituting a CCc1cc(C#N)ncc1CBr with a nitro.,CCc1cc(C#N)ncc1CNO
DelComponent,Modify the molecule amine by removing a COc1ccc(-n2cc(CNc3nc(C)nc4scc(C)c34)nn2)cc1.,COc1ccc(-n2cc(Cc3nc(C)nc4scc(C)c34)nn2)cc1
LogP,Please optimize the molecule COc1ccc(C(=O)Nc2ccccc2C)cc1NC(=O)C(C)NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)CC1 to have a lower LogP value.,COc1ccc(C(=O)Nc2ccccc2C)cc1NC(=O)C(C)NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)CC1
MR,Please modify the molecule Nc1cccc2c1N(CCOc1ccc(Cl)cc1)CC2 to increase its MR value.,Nc1cccc2c1N(CCOc1ccc(Cl)cc1-c1ccccc1)CC2
QED,Modify the molecule CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cccc(COCc2ccco2)c1 to increase its QED value.,CCOc1cc(C#N)cc(O)c1OCC(=O)NCc1cccc(COCc2ccco2)c1
AtomNum,"The molecule contains 18 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 3 fluorine atoms.",O=c1c2cnc(N3CCCC3)nc2ccn1-c1cccc(C(F)(F)F)c1
BondNum,"There is a molecule with 11 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]C(Cc1cccc(C)c1)CC(C)(C)C
FunctionalGroup,"The molecule consists of 1 ester group, 1 amide group, and 1 halo group.",COC(=O)C1CCCCN1C(=O)c1cncc(F)c1
AddComponent,Modify the molecule CCCNc1ncc(C)c(Oc2ccc(F)c(C)c2)n1 by adding a hydroxyl.,Cc1cc(Oc2nc(NCC(C)O)ncc2C)ccc1F
SubComponent,Please substitute a nitro in the molecule O=C(CCc1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1Cl with a halo.,O=Ic1ccc(Cl)c(NC(=O)CCc2cccc(F)c2)c1
DelComponent,Modify the molecule halo by removing a COC(C)(C)C(=O)Nc1ccc(I)cn1.,COC(C)(C)C(=O)Nc1ccccn1
LogP,Please modify the molecule CC(=CCl)Cn1nc(N)cc1C to decrease its LogP value.,CC(=CC(=O)[OH])Cn1nc(N)cc1C
MR,Please optimize the molecule C=C(C)CCCC1(C)C(C)(C)CCC2(C)C3(C)CCC(=C)CC3CCC12C to have a higher MR value.,C=C(C)CCCC1(C)C(C)(C)CCC2(C)C3(C)CCC(=C)CC3CC(O)C12C
QED,Optimize the molecule CCOc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1 to have a lower QED value.,CC(Oc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1)C(=O)O
AtomNum,"There is a molecule with 16 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Cc1cc(C)cc(-n2nnc(C(=O)NC3CCCC3)c2N)c1
BondNum,"The molecule has 15 single bonds, 2 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCCCOC(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2C)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 halo group.",CCCC(C)C([NH2+]CC)c1ccc(C)c(Br)c1
AddComponent,Please add a carboxyl to the molecule CCCC1=C(C(=O)OCC)C(c2ccc3c(c2)OCO3)n2c(sc(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)c2=O)=N1.,CCCC1=C(C(=O)OCC)C(C(=O)O)(c2ccc3c(c2)OCO3)n2c(sc(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)c2=O)=N1
SubComponent,Substitute a halo in the molecule C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccc(OC(F)F)cc1 with a carboxyl.,C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccc(OC(F)C(=O)[OH])cc1
DelComponent,Please remove a [NH3+]C1CSCC1CCOc1cccc(Br)c1 from the molecule halo.,[NH3+]C1CSCC1CCOc1ccccc1
LogP,Optimize the molecule NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 to have a lower LogP value.,CC(=O)c1ccccc1OCc1nnc(SCC(N)=O)n1C1CC1
MR,Please modify the molecule O=C1Nc2cc(-c3ccccc3)ccc2C1C=Nc1nc2ccccc2[nH]1 to decrease its MR value.,O=C1Nc2ccccc2C1C=Nc1nc2ccccc2[nH]1
QED,Modify the molecule CC(c1ccc(F)c(F)c1)N(C)C(=O)CCCOc1ccc(F)cc1F to increase its QED value.,CC(c1ccc(C#N)c(F)c1)N(C)C(=O)CCCOc1ccc(F)cc1F
AtomNum,The molecule has 11 carbon atoms.,CC=CC(CCCC)=C1CC1
BondNum,"There is a molecule composed of 7 single bonds, 5 rotatable bonds, and 16 aromatic bonds.",Cc1ccc(C[NH+](C)CCc2c[nH]c3ccccc23)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ester group, and 1 halo group.",Cc1cc(F)cc(C(=O)OC(C)(C)C)c1
AddComponent,Please add a carboxyl to the molecule O=C(Nc1cccc(Cl)c1)n1nc(-c2ccccc2)c2ccccc21.,O=C(O)c1ccccc1-c1nn(C(=O)Nc2cccc(Cl)c2)c2ccccc12
SubComponent,Please substitute a halo in the molecule CCC(C)(CNC(=O)N(C)c1ccccc1F)C(=O)[O-] with a hydroxyl.,CCC(C)(CNC(=O)N(C)c1ccccc1O)C(=O)[O-]
DelComponent,Please remove a amide from the molecule CCCCCC(Br)c1ccc2c(c1)NC(=O)CC(=O)N2.,CCCCCC(Br)c1ccc2c(c1)NC2=O
LogP,Modify the molecule C=CCN(C(=O)C1N(C(CO)c2ccccc2)C(=O)C2C(C(=O)[O-])C3OC21CC3Br)c1ccc2ccccc2c1 to have a lower LogP value.,C=CCN(C(=O)C1N(C(CO)c2ccccc2)C(=O)C2C(C(=O)[O-])C3OC21CC3O)c1ccc2ccccc2c1
MR,Please modify the molecule COc1cc(CCC(=O)NCC(CCCCCCCCCN2CN(C)c3c2n(C)c(=O)[nH]c3=O)OC(C)=O)cc(OC)c1OC to increase its MR value.,COc1cc(CCC(=O)NCC(CCCCCCC(CCN2CN(C)c3c2n(C)c(=O)[nH]c3=O)C(=O)O)OC(C)=O)cc(OC)c1OC
QED,Modify the molecule C=CC(C)(C[NH2+]CCOC)Cc1ccsc1 to increase its QED value.,C=CC(C)(C[NH2+]CCOC)Cc1cscc1O
AtomNum,"There is a molecule composed of 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCC[NH2+]CCSCC1(CC(=O)OC)CC1
BondNum,"The molecule is composed of 10 single bonds, 2 double bonds, and 5 rotatable bonds.",CCC=CC(C)(O)CCC=C(C)C
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 4 amide groups, and 5 halo groups.",CCCNC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)ccc1Cl
AddComponent,Modify the molecule Cc1sc2nc(CC(=O)NN=C3Cc4ccccc4C3)[nH]c(=O)c2c1C by adding a benzene ring.,Cc1sc2nc(C(C(=O)NN=C3Cc4ccccc4C3)c3ccccc3)[nH]c(=O)c2c1C
SubComponent,Modify the molecule Cc1ccc(C)c(NC(=O)COC(=O)Cc2ccc(O)cc2)c1 by substituting a hydroxyl with a nitrile.,Cc1ccc(C)c(NC(=O)COC(=O)Cc2ccc(C#N)cc2)c1
DelComponent,Remove a Cc1cc(-n2ncc(CCCO)c2N)nc(C)n1 from the molecule hydroxyl.,CCCc1cnn(-c2cc(C)nc(C)n2)c1N
LogP,Modify the molecule OCC([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)c1ccco1 to decrease its LogP value.,OCC([NH2+]Cc1ccc(F)c(C(F)F)c1)c1ccco1
MR,Please modify the molecule O=C1Nc2ccc(F)cc2C12COc1cc3c(cc12)OCO3 to increase its MR value.,O=C1Nc2ccc(S)cc2C12COc1cc3c(cc12)OCO3
QED,Please optimize the molecule CC(CN1CCC([NH2+]C2CC2)C1=O)C(C)(C)C to have a lower QED value.,CC(CCC[NH2+]C1CC1)C(C)(C)C
AtomNum,"The molecule contains 9 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",COC1CCCC(=O)N1C(C)C
BondNum,"The molecule has 15 single bonds, 4 double bonds, and 5 rotatable bonds.",CCC(C(=O)[O-])N(C)C(=O)CC1CS(=O)(=O)CCN1
FunctionalGroup,"The molecule has 1 ketone group, 3 halo groups, 1 thioether group, and 1 sulfide group.",Cc1cc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c(C)n1C1CC1
AddComponent,Please add a hydroxyl to the molecule C[NH2+]C(C)C(=O)c1cc(F)c(F)cc1F.,C[NH2+]C(CO)C(=O)c1cc(F)c(F)cc1F
SubComponent,Modify the molecule hydroxyl by substituting a CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC(C)(C)O)c([N+](=O)[O-])c1 with a halo.,CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC(C)(C)Br)c([N+](=O)[O-])c1
DelComponent,Please remove a CC(C)N(CC(N)=S)S(=O)(=O)Cc1c(Cl)cccc1Cl from the molecule benzene ring.,CC(C)N(CC(N)=S)S(=O)(=O)C(Cl)Cl
LogP,Modify the molecule Cc1cccc(C2CC([NH2+]CC3(O)CCCCCC3)C2)c1 to decrease its LogP value.,Cc1cccc(C2CC([NH2+]CC3(O)CCCCCC3N)C2)c1
MR,Please modify the molecule C=CC(=CC(C(=O)NC1=CC=C(n2nc(CCC)cc2C2CC2)C=CC1)=C(Cl)CC)S(C)(=O)=O to decrease its MR value.,C=CC(=CC(C(=O)NC1=CC=C(n2nc(CCC)cc2C2CC2)C=CC1)=C(O)CC)S(C)(=O)=O
QED,Modify the molecule CCCC1(O)CN(C(=O)CCOc2ccccc2F)C1 to have a lower QED value.,CCCC1CN(C(=O)CCOc2ccccc2F)C1
AtomNum,"There is a molecule composed of 12 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",[NH3+]C(Cc1[nH+]ccn1-c1ccccc1)C(=O)[O-]
BondNum,"The molecule is composed of 7 single bonds, 3 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",COC(=CC=Cc1cc2ccccc2n1C)C(=O)[O-]
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)NC(=O)C3CC[NH+](CC(=O)Nc4ccc(Cl)c(C(=O)NC5CCCC5)c4)CC3)c2C)c(F)c1
AddComponent,Add a carboxyl to the molecule C[NH2+]CCc1cccn2c(C(C)C)nnc12.,C[NH2+]CC(C(=O)O)c1cccn2c(C(C)C)nnc12
SubComponent,Please substitute a halo in the molecule CCCn1cc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)c2cccnc21 with a hydroxyl.,CCCn1cc(S(=O)(=O)Nc2ccc(OC)c(O)c2)c2cccnc21
DelComponent,Please remove a CCc1c(C)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(OC)cc2)nc1=O from the molecule amide.,CCc1c(C)[nH]c(-n2nc(-c3ccco3)cc2-c2ccc(OC)cc2)nc1=O
LogP,Optimize the molecule CC(O)(CNC(=O)CSCc1ccccc1)Cc1ccsc1 to have a higher LogP value.,CC(CNC(=O)CSCc1ccccc1)Cc1ccsc1
MR,Modify the molecule Cc1cccc(NC(=O)NCC2CC(NS(=O)(=O)c3cc(Br)ccc3Br)CN2C#N)c1 to increase its MR value.,Cc1cc(NC(=O)NCC2CC(NS(=O)(=O)c3cc(Br)ccc3Br)CN2C#N)ccc1C#N
QED,Modify the molecule O=C(OCc1ccccc1Br)c1nc(Cl)ccc1Cl to have a lower QED value.,Nc1cccc(Br)c1COC(=O)c1nc(Cl)ccc1Cl
AtomNum,"There is a molecule consisting of 23 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 sulfur atoms.",CC(=O)N(c1nc(CSc2cc(C)ccc2C)cs1)c1c(C)cc(C)cc1C
BondNum,"The molecule consists of 12 single bonds, 1 double bond, and 3 rotatable bonds.",NC(=O)C[NH2+]C1CC12CCCC2
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, and 2 halo groups.",CC1CN(C(=O)c2ccccc2)CC[NH+]1CCc1ccc(Br)cc1F
AddComponent,Modify the molecule O=C1CC(C2CC2)NC(=O)N1C12CC3CC(CC(C3)C1)C2 by adding a hydroxyl.,O=C1CC(C2CC2)NC(=O)N1C12CC3CC(CC(O)(C3)C1)C2
SubComponent,Please substitute a halo in the molecule CN1C(=O)CCC(C(=O)NCCn2cccn2)C1c1ccccc1F with a thiol.,CN1C(=O)CCC(C(=O)NCCn2cccn2)C1c1ccccc1S
DelComponent,Modify the molecule CC(C)CCNC(=O)C(C)Sc1nnc(N)s1 by removing a amide.,CC(C)CC[SH](C)c1nnc(N)s1
LogP,Optimize the molecule CC(=O)c1cc2ccccc2cc1C=CCC(CF)C(C)(C)C to have a higher LogP value.,CC(=O)c1cc2ccccc2cc1C=CCC(C)C(C)(C)C
MR,Modify the molecule Cn1ccc(CC(NN)C(C)(C)[NH+]2CCOCC2)n1 to increase its MR value.,CC(C)(C(Cc1ccn(CCC=O)n1)NN)[NH+]1CCOCC1
QED,Optimize the molecule COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(O)CNc2cc(=O)c3ccccc3[nH]2)cc1 to have a higher QED value.,COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)cc1
AtomNum,"The molecule contains 23 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",Cc1ccc2c(c1)cc(CO)n2-c1ccc(OCc2ccccc2)cc1
BondNum,"Please generate a molecule composed of 38 single bonds, 3 double bonds, 12 rotatable bonds, and 12 aromatic bonds.",CCCCN1C(=O)C(C(O)C2CCOCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)N(C)C4CC4)cc3OC)cc1)CC2
FunctionalGroup,"There is a molecule with 1 amine group, and 1 sulfide group.",C=C1CC(Nc2nccc(-c3cc4ccc(OC)cc4s3)n2)CC(C)(C)[NH2+]1
AddComponent,Please add a hydroxyl to the molecule CC1(C)CCOc2ccc(C#Cc3ccc(CC(=O)[O-])o3)cc21.,CC1(C)c2cc(C#Cc3ccc(CC(=O)[O-])o3)ccc2OCC1O
SubComponent,Substitute a halo in the molecule O=C(c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl)N1CCc2ccccc2C1 with a thiol.,O=C(c1cc(N2C(=O)CCS2(=O)=O)ccc1S)N1CCc2ccccc2C1
DelComponent,Modify the molecule COC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C by removing a benzene ring.,COC(=O)C(C)NC(=O)CNC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
LogP,Modify the molecule COc1cccc(NCC2CCCC(C)C2)n1 to have a higher LogP value.,COc1cccc(CC2CCCC(C)C2)n1
MR,Modify the molecule CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)c1cc(C)ccc1OC to decrease its MR value.,CCN(CC(=O)NCF)C(=O)COC(=O)c1cc(C)ccc1OC
QED,Optimize the molecule CC1(C(=O)[O-])CCCC23CC4CC5(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)CC(CCC12)(CC5=CI)C43 to have a higher QED value.,CC1(C(=O)[O-])CCCC23CC4CC5(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)(c8ccccc8)C7O)C6OC6OC(CO)C(O)C(O)C6O)CC(CCC12)(CC5=CI)C43
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)cc1C
BondNum,"The molecule has 19 single bonds, 3 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",CC(C)CCCCCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 ester group, and 1 sulfone group.",CCOC(=O)C=C(C)N(N=Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
AddComponent,Add a benzene ring to the molecule CC(C)=C(C(=O)[O-])c1ccn(C)c1.,CC(C)=C(C(=O)[O-])c1cc(-c2ccccc2)n(C)c1
SubComponent,Please substitute a halo in the molecule CCCCCn1c(SCC(=O)Nc2ccccc2Br)nc2ccccc21 with a nitro.,CCCCCn1c(SCC(=O)Nc2ccccc2NO)nc2ccccc21
DelComponent,Please remove a CC1CC(C(=O)NCCC(c2ccccc2)c2ccccc2)CC[NH2+]1 from the molecule benzene ring.,CC1CC(C(=O)NCCCc2ccccc2)CC[NH2+]1
LogP,Modify the molecule O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cc([N+](=O)[O-])ccc1I to decrease its LogP value.,O=[SH]c1ccc(I)c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1
MR,Modify the molecule CC(C)(Br)C(=O)Nc1c(F)cc(F)cc1Br to have a higher MR value.,CC(C)(Br)C(=O)Nc1c(F)cc(F)c(O)c1Br
QED,Modify the molecule CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CC(Nc3ccccc3C(=O)c3ccccc3)c3nnc(CCC)o3)cc2)c1 to have a higher QED value.,CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CC(c3nnc(CCC)o3)c3ccccc3C(=O)c3ccccc3)cc2)c1
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",NNC(CCc1ccsc1)CC1CCCCC1
BondNum,"Please generate a molecule consisting 6 single bonds, 1 double bond, 2 rotatable bonds, and 17 aromatic bonds.",Oc1cccc(C2N=Nc3ccc(-c4nn[n-]n4)cc32)c1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 3 halo groups, and 1 sulfide group.",O=C(c1cc(-c2cccs2)nn1-c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
AddComponent,Please add a benzene ring to the molecule CC(C)c1ccc2[nH]c(=O)c(CNC(=O)NC3CCCCC3)cc2c1.,CC(C)c1ccc2[nH]c(=O)c(CNC(=O)NC3CCCCC3c3ccccc3)cc2c1
SubComponent,Substitute a Fc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 in the molecule halo with a nitro.,ONc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1
DelComponent,Modify the molecule amide by removing a COc1ccc(OC)c(NC(=O)COc2ccccc2C(C)C)c1.,COc1ccc(OC)c(Oc2ccccc2C(C)C)c1
LogP,Optimize the molecule C=CCCC([NH2+]CC)C1(OCC)CCCCCC1 to have a lower LogP value.,CC[NH2+]C(CCC=CO)C1(OCC)CCCCCC1
MR,Please modify the molecule Cc1cccc(N2CCN(c3nnc(N)o3)CC2)c1 to increase its MR value.,Cc1cccc(N2CCN(c3nnc(N)o3)C(O)C2)c1
QED,Please modify the molecule CSc1ccc(C(C)(C)CO)c(F)c1 to decrease its QED value.,CSc1ccc(C(C)(C)CO)cc1
AtomNum,"There is a molecule composed of 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",Cc1ccc(F)c(OCc2ccc(C(=O)NN)cc2Br)c1
BondNum,"Please generate a molecule composed of 10 single bonds, 2 double bonds, 2 rotatable bonds, and 11 aromatic bonds.",Cc1nc(C2=C(O)CN(c3ccc(Cl)cc3)C2=[NH2+])sc1C
FunctionalGroup,"Please generate a molecule consisting 2 amide groups, and 1 nitrile group.",CC1CCC(NC(=O)C(=O)NCC#N)C1C
AddComponent,Please add a aldehyde to the molecule O=C1Cc2ccccc2N1CCNS(=O)(=O)Cc1ccc(F)c(Cl)c1.,O=CCC(CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)N1C(=O)Cc2ccccc21
SubComponent,Please substitute a CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(Br)s4)s3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1 in the molecule halo with a nitrile.,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(C#N)s4)s3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1
DelComponent,Modify the molecule benzene ring by removing a CSc1nc(N(C(=O)OC(C)C[NH+]2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1.,CSc1nc(N(Br)C(=O)OC(C)C[NH+]2CCN(C)CC2)c2cnn(CC(C)c3ccccc3)c2n1
LogP,Please optimize the molecule CCCCN(CCC)C(=O)Nc1cc(Cl)ccc1O to have a lower LogP value.,CCCCN(CCC)C(=O)Nc1ccccc1O
MR,Modify the molecule Cc1noc(CNC(=O)CCc2ccccc2OC(F)(F)F)n1 to decrease its MR value.,Cc1noc(CCc2ccccc2OC(F)(F)F)n1
QED,Modify the molecule O=c1c2ccc(N3CC[NH+](C4CCC4O)CC3)cc2ncn1C1CCCC1 to increase its QED value.,O=c1c2ccc(N3CC[NH+](C4CCC4)CC3)cc2ncn1C1CCCC1
AtomNum,"Please generate a molecule with 10 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CN(C=O)C=Cc1cc(O)ccc1O
BondNum,"The molecule is composed of 15 single bonds, 10 rotatable bonds, and 6 aromatic bonds.",CCCOCc1nc(C)c(CCC[NH2+]CC(C)C)c(C)n1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amine group.",CCCOc1cccc(NC2CCOC(C)C2)c1
AddComponent,Please add a carboxyl to the molecule CC(C)(C)N(CCc1ccc(C#N)cc1Cl)C(=O)[O-].,CC(C)(CC(=O)O)N(CCc1ccc(C#N)cc1Cl)C(=O)[O-]
SubComponent,Modify the molecule Cc1cc(C)c(N2COC(CO)=N2)c(C)c1 by substituting a hydroxyl with a thiol.,Cc1cc(C)c(N2COC(CS)=N2)c(C)c1
DelComponent,Modify the molecule Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NCCCO)ccc21 by removing a halo.,Cn1c(C(F)F)nc2cc(NC(=O)C(=O)NCCCO)ccc21
LogP,Please modify the molecule O=C([O-])CCNC(=O)c1ccc(C(CCC2CCC2)n2cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3n2)cc1 to decrease its LogP value.,O=C([O-])CCNC(=O)c1ccc(C(CCC2CCC2)n2cc3cc(-c4ccc(C(F)F)cc4)ccc3n2)cc1
MR,Please optimize the molecule Fc1ccccc1C=NNC(=S)S to have a lower MR value.,O=C([OH])C(=S)NN=Cc1ccccc1F
QED,Please modify the molecule Cc1ccc(C=CC(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 to decrease its QED value.,Cc1ccc(C=CC(=O)NC(=S)NNC(=O)c2sc3ccccc3c2O)cc1
AtomNum,"Please generate a molecule composed of 9 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",NC(=O)C[NH+]1CC2CCCC2C1
BondNum,"The molecule is composed of 11 single bonds, 2 double bonds, 2 rotatable bonds, and 5 aromatic bonds.",NNC(=O)C1CCN(C(=O)c2cccs2)CC1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amine groups, and 2 halo groups.",CNc1cc(Nc2ccc(F)c(F)c2)nc(C(C)C)n1
AddComponent,Please add a carboxyl to the molecule COC(=O)c1cccc(Nc2ncc(Br)cn2)c1.,COC(=O)c1cccc(Nc2ncc(Br)cn2)c1C(=O)O
SubComponent,Please substitute a [NH3+]C(CCCCO)c1ncccc1O in the molecule hydroxyl with a nitrile.,N#CCCCCC([NH3+])c1ncccc1O
DelComponent,Modify the molecule N#Cc1ccc(Oc2cc(F)c([N+](=O)[O-])cc2F)cc1Br by removing a nitrile.,O=[N+]([O-])c1cc(F)c(Oc2cccc(Br)c2)cc1F
LogP,Modify the molecule COC(=O)C(=O)c1cc(F)c(OC)cc1F to have a lower LogP value.,COC(=O)C(=O)c1cc(NO)c(OC)cc1F
MR,Modify the molecule COc1c(NCCCOCC(C)C)sc(C(N)=O)c1N to have a higher MR value.,COc1c(NCCC(O)OCC(C)C)sc(C(N)=O)c1N
QED,Please modify the molecule CCCNc1cc(C(=O)N2CCC(C)C2CO)ccn1 to decrease its QED value.,CCCNc1cc(C(=O)N2CCC(C)C2CC(=O)[OH])ccn1
AtomNum,"Please generate a molecule with 47 carbon atoms, 14 oxygen atoms, and 4 nitrogen atoms.",CC=C(C)C(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3cccc(N=[N+]=[N-])c3)C3C4(OC(C)=O)COC4CC(OC(=O)C4CC4)C3(C)C(=O)C(O)C(=C1C)C2(C)C
BondNum,"The molecule has 9 single bonds, 1 double bond, 5 rotatable bonds, and 24 aromatic bonds.",Cc1ccc(Cl)cc1NC(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ester group, 2 amine groups, and 1 sulfide group.",COC(=O)c1cc(N)ccc1Nc1nc(C(C)C)cs1
AddComponent,Add a hydroxyl to the molecule CCOc1cc(CNc2cn(CC)nc2C(=O)[O-])ccc1O.,CCOc1cc(C(O)Nc2cn(CC)nc2C(=O)[O-])ccc1O
SubComponent,Please substitute a halo in the molecule CCNC(=O)CC[NH+]1CCOC(c2ccccc2Cl)C1 with a aldehyde.,CC(=O)c1ccccc1C1C[NH+](CCC(=O)NCC)CCO1
DelComponent,Remove a CC(C)CC1NC(=O)C(C)N(c2ccc(F)cc2I)C1=O from the molecule benzene ring.,CC(C)CC1NC(=O)C(C)N([IH]F)C1=O
LogP,Modify the molecule Nc1cnnc(-c2ccc(F)c(Cl)c2)n1 to have a lower LogP value.,Nc1cnnc(-c2ccc(F)cc2)n1
MR,Please modify the molecule CCN(C(=O)c1ccc(NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1)c1ccccc1 to decrease its MR value.,CCNC(=O)c1ccc(NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1
QED,Modify the molecule CC(C)C(N=[P+]([O-])Oc1c(Cl)ccc2ccccc12)C(=O)OC1CCOCC1 to have a lower QED value.,CC(C)C(N=[P+]([O-])Oc1c(Cl)ccc2ccccc12)C(=O)OC1CCOCC1CC=O
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCN(C(=O)c1ccc(N2CCN(C=O)CC2)nn1)c1cccc(C)c1
BondNum,"Please generate a molecule consisting 16 single bonds, 2 double bonds, 7 rotatable bonds, and 24 aromatic bonds.",Cc1ccc(C(=O)OCC2OC(c3ccccc3-c3ccccc3)CC2OC(=O)c2ccc(C)cc2)cc1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, and 1 ester group.",COC(=O)CC[NH2+]C1CC23CC[NH+](C)C(Cc4ccc(OC)c(O)c42)C3CC1OC
AddComponent,Please add a benzene ring to the molecule CC(C)CC1NC(=O)C(CCC[NH3+])NC(=O)C(C(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC1=O.,CC(C)CC1NC(=O)C(CCC[NH3+])NC(=O)C(C(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(N)=O)NC(=O)C(C(C(N)=O)c2ccccc2)NC(=O)C(C)NC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC1=O
SubComponent,Substitute a COc1ccccc1Cc1nc(C2CC(=O)N(C)C2(C)C)n(CCO)n1 in the molecule hydroxyl with a thiol.,COc1ccccc1Cc1nc(C2CC(=O)N(C)C2(C)C)n(CCS)n1
DelComponent,Remove a amine from the molecule CNc1cc(Oc2ccc(C)c(C)c2)nc(C2CC2)n1.,Cc1cc(Oc2ccc(C)c(C)c2)nc(C2CC2)n1
LogP,Please modify the molecule CC(=O)c1sc(Nc2ccc(Br)cc2Cl)nc1C(=O)[O-] to decrease its LogP value.,CC(=O)c1sc(Nc2ccc(O)cc2Cl)nc1C(=O)[O-]
MR,Modify the molecule Nc1nc2c(Br)cccc2n1CC1CCC[NH2+]1 to have a lower MR value.,Nc1nc2ccccc2n1CC1CCC[NH2+]1
QED,Please optimize the molecule O=C([O-])c1ccc(S(=O)(=O)N(CC2CCCC2)c2sc3ccccc3c2Br)cc1 to have a lower QED value.,CC(=O)c1c(N(CC2CCCC2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)sc2ccccc12
AtomNum,"The molecule contains 25 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 3 fluorine atoms.",CCCC(C)([NH3+])CNC(=O)c1c(C2CC2)nn2c(OCc3c(F)ccc(F)c3F)cc(C)cc12
BondNum,"The molecule contains 13 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)C1CCN(c2ccc(Br)cc2C[NH3+])C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, 1 amine group, and 1 halo group.",COC(=O)C(C)(Nc1ccccc1C)c1ccc(F)cn1
AddComponent,Modify the molecule COc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3C)C2c2cccc(OC)c2OC)c(OC)c1 by adding a hydroxyl.,COc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3C)C2c2cc(O)cc(OC)c2OC)c(OC)c1
SubComponent,Substitute a halo in the molecule CC(C)c1ccc(OCCNC(=O)NCCc2ccccc2F)cc1 with a thiol.,CC(C)c1ccc(OCCNC(=O)NCCc2ccccc2S)cc1
DelComponent,Please remove a CCC1CCC(Nc2nccc(OC(C)C)n2)C1C from the molecule amine.,CCC1CCC(c2nccc(OC(C)C)n2)C1C
LogP,Please modify the molecule C=C(C)C1=CN2C(=CC1=C)c1cc(CC)c(-c3ccc(CC)cc3)cc1CC2C(C)(C)C to decrease its LogP value.,C=C(C)C1=CN2C(=CC1=C)c1cc(CC)c(-c3ccc(CC)cc3)cc1CC2C(C)(C)CC(=O)O
MR,Please optimize the molecule CCC(C)c1ccccc1OCC(=O)NCc1ccc2c(c1)C[NH2+]C2 to have a lower MR value.,CCC(C)c1ccccc1OCc1ccc2c(c1)C[NH2+]C2
QED,Modify the molecule CCOC(=O)NC1(C(F)(F)F)[NH+]=C(c2ccccc2)N(Cc2ccco2)C1=O to have a higher QED value.,CCOC(=O)NC1(C(F)(F)F)C(=O)N(Cc2ccco2)C1c1ccccc1
AtomNum,"The molecule is composed of 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COCCNC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
BondNum,"Please generate a molecule with 19 single bonds, 3 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",CN1C(=O)N(CC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C(=O)C12CCCCC2
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, and 5 amide groups.",Cc1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCOCC4)ccc3C)CC2)C(C)C)cc1NC(=O)c1ccccc1
AddComponent,Modify the molecule C[NH+]1CCC(CNc2cc(C#N)ccn2)C1 by adding a benzene ring.,C[NH+]1CCC(CNc2cc(C#N)ccn2)(c2ccccc2)C1
SubComponent,Please substitute a halo in the molecule CCC(=O)OCC(=O)NC(C)c1ccc(Br)cc1 with a carboxyl.,CCC(=O)OCC(=O)NC(C)c1ccc(C(=O)[OH])cc1
DelComponent,Remove a halo from the molecule CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)C3CC3(F)F)CC2)n1.,CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)C3CC3F)CC2)n1
LogP,Please optimize the molecule CC(=O)Nc1ccc(SC(C)C(=O)N2CC3CCCC3(C(=O)[O-])C2)cc1 to have a lower LogP value.,CC(=O)NSC(C)C(=O)N1CC2CCCC2(C(=O)[O-])C1
MR,Please optimize the molecule Nc1nc(CSCC([NH3+])C(=O)[O-])cs1 to have a lower MR value.,[NH3+]C(CSCc1cscn1)C(=O)[O-]
QED,Please modify the molecule CCc1ccc(Cl)c(-c2ccccc2-n2cc(N)c(=O)c(C(=O)NC)n2)c1 to decrease its QED value.,CCc1ccc(S)c(-c2ccccc2-n2cc(N)c(=O)c(C(=O)NC)n2)c1
AtomNum,"Please generate a molecule consisting 9 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 bromine atom.",O=[N+]([O-])c1ccc(S(=O)(=O)NCCCBr)c(F)c1
BondNum,"The molecule contains 6 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",COCCCc1nc2ccc(C)cn2n1
FunctionalGroup,Please generate a molecule with and 1 amide group.,CC([NH2+]CC1CCCCC1)C(=O)NC1CCCCC1
AddComponent,Add a hydroxyl to the molecule CC#CC(=O)N1CCC(C(=O)NCC[NH+](C)Cc2ccccc2)CC1.,CC#CC(=O)N1CCC(C(=O)NCC[NH+](C)Cc2cccc(O)c2)CC1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1cc(C(=O)NCc2cc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)co2)co1 with a nitro.,Cc1cc(C(=O)NCc2cc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3NO)co2)co1
DelComponent,Modify the molecule amine by removing a Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)s1.,Cc1ccc(S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)s1
LogP,Optimize the molecule CCOC(=O)C[NH+](CCN(CC(=O)[O-])Cc1ccccc1O)Cc1ccccc1O to have a higher LogP value.,CCOC(=O)C[NH+](CCN(CC(=O)[O-])Cc1ccccc1C#N)Cc1ccccc1O
MR,Modify the molecule CSc1ccc(N)c(N)c1CO to increase its MR value.,CSc1ccc(N)c(N)c1CCl
QED,Optimize the molecule CC(CCCC(S)CCS)C(=O)[O-] to have a lower QED value.,O=C(O)CC(CCCC(S)CCS)C(=O)[O-]
AtomNum,"There is a molecule consisting of 11 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",C[NH+](Cc1ccccn1)CC(O)CC(=O)[O-]
BondNum,"The molecule has 14 single bonds, 3 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",Nc1cccc2c1CN(C(=O)CC1CCS(=O)(=O)C1)CC2
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, and 3 halo groups.",O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(F)c(F)c1F
AddComponent,Please add a carboxyl to the molecule O=C(CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1.,O=C(CNc1cc(C(=O)O)c([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1
SubComponent,Please substitute a C=C1OCc2cc(CCC[NH+](C)CCC(=O)OC3C(C)OC(OC4C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(OC)C(OC5OC(C)CC([NH+](C)C)C5O)C4C)CC3(C)OC)cc3c(=O)c(C(=O)[O-])cn1c23 in the molecule hydroxyl with a aldehyde.,CC(=O)C1(C)C(CC)OC(=O)C(C)C(OC2CC(C)(OC)C(OC(=O)CC[NH+](C)CCCc3cc4c5c(c3)c(=O)c(C(=O)[O-])cn5C(=C)OC4)C(C)O2)C(C)C(OC2OC(C)CC([NH+](C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C1O
DelComponent,Remove a hydroxyl from the molecule CCC1OC(=O)C(C)(F)C(=O)C(C)C(OC2OC(C)CC([NH+](C)C(C)(C)C)C2O)C2(C)CC(C)C(=NC(C)=O)C(C)C(CCC(=CC=Cc3ccccc3)CO2)C1(C)O.,CCC1OC(=O)C(C)(F)C(=O)C(C)C(OC2OC(C)CC([NH+](C)C(C)(C)C)C2O)C2(C)CC(C)C(=NC(C)=O)C(C)C(CCC(=CC=Cc3ccccc3)CO2)C1C
LogP,Optimize the molecule OCC1(C[NH2+]Cc2cc(Cl)ccc2O)CCCCC1 to have a higher LogP value.,O=C([OH])CC1(C[NH2+]Cc2cc(Cl)ccc2O)CCCCC1
MR,Please modify the molecule C=CCN(CCC)C(=O)C1C2C(=O)N(CCO)C(C(=O)N(CC=C)c3ccc(Cl)cc3)C23CCC1(C)S3 to decrease its MR value.,C=CCN(CCC)C(=O)C1C2C(=O)N(CC)C(C(=O)N(CC=C)c3ccc(Cl)cc3)C23CCC1(C)S3
QED,Please modify the molecule Cc1ccccc1Cc1c(C)nc2c(C(=O)N3CCC(c4nc(C5CCOCC5)no4)C3)cnn2c1C to increase its QED value.,CCc1c(C)nc2c(C(=O)N3CCC(c4nc(C5CCOCC5)no4)C3)cnn2c1C
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",CC#CCOC(=O)Nc1cnn(Cn2nnc3ccccc32)c1
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, 3 rotatable bonds, and 10 aromatic bonds.",C=C(C)c1c(C2CCCC2)c2ccc(C(=O)OC)cc2n1C
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 3 halo groups.",O=C(Nc1cn[nH]c1)c1cc(COc2cccc(C(F)(F)F)c2)ccn1
AddComponent,Add a carboxyl to the molecule CCC(C)(CCl)C1CC2CCC1C2.,CCC(CCl)(CC(=O)O)C1CC2CCC1C2
SubComponent,Substitute a halo in the molecule COc1ccc(Cl)cc1C(C1C[NH2+]C1)[NH+](C)C with a nitro.,COc1ccc(NO)cc1C(C1C[NH2+]C1)[NH+](C)C
DelComponent,Please remove a amine from the molecule CCC(CC)(C(=O)N1CCCC(C)(O)CC1)C(N)=S.,CCC(C=S)(CC)C(=O)N1CCCC(C)(O)CC1
LogP,Please modify the molecule CCCC[Sn](CCCC)(CCCC)C(CCC=O)N1C(=O)c2ccccc2C1=O to decrease its LogP value.,CCCC[Sn](CCCC)(C(N)CCC)C(CCC=O)N1C(=O)c2ccccc2C1=O
MR,Please optimize the molecule CC1(S)C=CC=CC1c1ncc[nH]1 to have a lower MR value.,CC1(C#N)C=CC=CC1c1ncc[nH]1
QED,Modify the molecule NC(=O)CCNc1n[nH]c(=O)[nH]c1=O to increase its QED value.,CNc1n[nH]c(=O)[nH]c1=O
AtomNum,"The molecule contains 25 carbon atoms, 3 oxygen atoms, 1 phosphorus atom, and 1 silicon atom.",CC(C)[Si](C#CP(=O)(OCc1ccccc1)OCc1ccccc1)(C(C)C)C(C)C
BondNum,"The molecule contains 32 single bonds, and 11 rotatable bonds.",FC(F)(F)C(F)(CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
FunctionalGroup,"There is a molecule with 2 amide groups, and 2 halo groups.",O=C1CCC([NH2+]CC(Cl)=CCl)C(=O)N1
AddComponent,Add a benzene ring to the molecule Cc1ncc(C[NH+]2CCN(Cc3cccnc3)CC2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc12.,Cc1ncc(C[NH+]2CCN(Cc3cccnc3)CC2)c2cc(C(=O)c3ccc4c(c3)OC(c3ccccc3)CO4)oc12
SubComponent,Please substitute a halo in the molecule O=C(CCn1cnc2ccc(Br)cc2c1=O)[NH+]=c1ccccn1Cc1ccccc1 with a nitrile.,N#Cc1ccc2ncn(CCC(=O)[NH+]=c3ccccn3Cc3ccccc3)c(=O)c2c1
DelComponent,Remove a Cc1ccccc1C(C)[NH2+]C1CCN(C)C1=O from the molecule benzene ring.,CC(C)[NH2+]C1CCN(C)C1=O
LogP,Optimize the molecule Cc1cccc(NC(=O)Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)c1 to have a lower LogP value.,Cc1cccc(NC(=O)Cn2nc3c4ccccc4n(Cc4cccc(C(=O)[OH])c4)cc-3c2=O)c1
MR,Please modify the molecule O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 to decrease its MR value.,S=C(Cc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1
QED,Modify the molecule Cc1cc(CCCNC(=O)C=Cc2cccs2)on1 to have a higher QED value.,Cc1cc(CCCCc2cccs2)on1
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC1C[NH+]2CCN(CCc3ccccc3)CC2CC1(C)c1cccc(O)c1
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, 5 rotatable bonds, and 15 aromatic bonds.",Cn1cc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)c(C2CCCCC2)n1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 nitro group, 1 halo group, and 2 sulfide groups.",Cn1c(Sc2ncccc2[N+](=O)[O-])nc2scc(-c3ccc(F)cc3)c2c1=O
AddComponent,Modify the molecule CCNC(=[NH+]CCS(=O)(=O)NCC1CCC1)N(C)Cc1csc(C)n1 by adding a hydroxyl.,CCNC(=[NH+]CCS(=O)(=O)NCC1CCC1)N(CO)Cc1csc(C)n1
SubComponent,Modify the molecule halo by substituting a COCCn1c(SCc2ccc(C(=O)NCc3ccco3)cc2)nnc1-c1ccccc1Cl with a aldehyde.,CC(=O)c1ccccc1-c1nnc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1CCOC
DelComponent,Remove a CC1C(C(=O)[O-])CCN1C(=O)c1cc(Cl)cc(Cl)c1 from the molecule halo.,CC1C(C(=O)[O-])CCN1C(=O)c1cccc(Cl)c1
LogP,Modify the molecule C[NH+](CC1CCOC1)C1COCC1O to have a higher LogP value.,C[NH+](CC1CCOC1)C1CCOC1
MR,Modify the molecule CC(=O)NCCNc1cc(-c2c(Cl)cccc2Cl)cc(-c2cc(C)ccc2O)n1 to decrease its MR value.,CCNc1cc(-c2c(Cl)cccc2Cl)cc(-c2cc(C)ccc2O)n1
QED,Optimize the molecule Cc1ccc2cc(C(=O)Nc3ccccc3F)[nH]c2c1 to have a lower QED value.,Cc1cc(-c2ccccc2)c2cc(C(=O)Nc3ccccc3F)[nH]c2c1
AtomNum,"The molecule is composed of 17 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CSc1cccc(NC(=O)Cn2c(=O)n(C3CC3)c(=O)c3nscc32)c1
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CCC(=Cc1ccc(Cl)cc1Br)C[NH2+]C1CC1
FunctionalGroup,There is a molecule consisting of and 2 hydroxyl groups.,CC(O)C[N+](C)(C)CCOCCO
AddComponent,Please add a hydroxyl to the molecule c1ccc(-c2ncsc2CNc2ncnc3c2CC[NH2+]CC3)cc1.,Oc1cccc(-c2ncsc2CNc2ncnc3c2CC[NH2+]CC3)c1
SubComponent,Substitute a hydroxyl in the molecule CC(C)(C)C([NH3+])c1nnc(C(CO)c2ccccc2)o1 with a aldehyde.,CC(=O)CC(c1ccccc1)c1nnc(C([NH3+])C(C)(C)C)o1
DelComponent,Remove a hydroxyl from the molecule CCC(C)(CCO)NC(=O)C1CC(=O)N(C2CCCC2)C1.,CCC(C)(CC)NC(=O)C1CC(=O)N(C2CCCC2)C1
LogP,Optimize the molecule CC(CC[NH3+])SCC(=O)Nc1cccc(Cl)c1Cl to have a higher LogP value.,CC(CC[NH3+])Sc1cccc(Cl)c1Cl
MR,Optimize the molecule CC(NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1ccncc1 to have a lower MR value.,CC(NC(=O)C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1ccncc1
QED,Optimize the molecule OC1C(COSP(I)I)OC(Sc2ccccc2)C(O)C1O to have a higher QED value.,OC1CC(Sc2ccccc2)OC(COSP(I)I)C1O
AtomNum,"The molecule consists of 38 carbon atoms, 3 oxygen atoms, 8 nitrogen atoms, and 1 silicon atom.",Cc1ccc(-n2nc([Si](C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(OCC[NH+](C)C)c4)n3)c3ccccc23)cc1
BondNum,"Please generate a molecule composed of 9 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",Cc1nc(-c2cncs2)nc2c1CC(C(=O)[O-])CC2
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ester group, and 1 amide group.",CCOc1ccc(CN(C)C(=O)COC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1
AddComponent,Add a hydroxyl to the molecule Cc1ccc(S(=O)(=O)OCP(=O)([O-])OCCCO)cc1.,Cc1ccc(S(=O)(=O)OCP(=O)([O-])OCC(O)CO)cc1
SubComponent,Substitute a hydroxyl in the molecule CC(=O)OC(=O)C([NH3+])Cc1ccc(O)c(I)c1 with a halo.,CC(=O)OC(=O)C([NH3+])Cc1ccc(I)c(I)c1
DelComponent,Please remove a benzene ring from the molecule Cc1ccsc1C(Br)c1ccc(Cl)cc1Cl.,Cc1ccsc1C(Cl)(Cl)Br
LogP,Please modify the molecule CCc1ccc(CCNC(NC2CC[NH+](CCOC(C)C)CC2)=[NH+]C)cc1 to increase its LogP value.,CCc1ccc(CCNC(NC2CC[NH+](CCOC(C)C)CC2)=[NH+]C)cc1-c1ccccc1
MR,Please optimize the molecule Cc1ccc(N)cc1NC(=O)CN1c2ccccc2CC1C to have a lower MR value.,Cc1ccccc1NC(=O)CN1c2ccccc2CC1C
QED,Please modify the molecule Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCC1c1nnc(-c2ccncc2)o1 to increase its QED value.,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC1c1nnc(-c2ccncc2)o1
AtomNum,"The molecule consists of 19 carbon atoms, 1 nitrogen atom, and 1 chlorine atom.",CCCCCCCCCC([NH2+]CC)c1cccc(C)c1Cl
BondNum,"There is a molecule with 5 single bonds, 4 rotatable bonds, and 16 aromatic bonds.",CCc1ccc(OCc2nc3ccccc3[nH]2)cc1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 2 amide groups, and 1 nitro group.",Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)C=Cc1cccc([N+](=O)[O-])c1
AddComponent,Add a hydroxyl to the molecule Fc1ccc(C(Br)c2cccc(Cc3cccc(CBr)c3)c2)cc1.,Oc1cc(F)ccc1C(Br)c1cccc(Cc2cccc(CBr)c2)c1
SubComponent,Modify the molecule halo by substituting a CC([NH2+]CC1CCOCC1)c1ccc(Br)cc1Cl with a carboxyl.,CC([NH2+]CC1CCOCC1)c1ccc(C(=O)[OH])cc1Cl
DelComponent,Remove a O=C(CCc1cnc[nH]1)N1CCC(c2ccnc(-c3ccncc3)c2)C1 from the molecule amide.,c1cc(-c2cc(C3CC(Cc4cnc[nH]4)C3)ccn2)ccn1
LogP,Please modify the molecule COc1cc(OC)nc(NC(=O)N(C2=[NH+]OCC(C)O2)S(=O)(=O)c2ccnn2C)n1 to increase its LogP value.,COc1cc(OC)nc(NC(=O)N(C2OCC(C)O2)S(=O)(=O)c2ccnn2C)n1
MR,Please modify the molecule CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(F)c(Cl)c1 to increase its MR value.,CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1
QED,Please modify the molecule COc1cc(C(C)(O)c2ccc(C)s2)ccc1Cl to decrease its QED value.,COc1cc(C(C)(O)c2ccc(C)s2)ccc1NO
AtomNum,"The molecule contains 23 carbon atoms, and 5 nitrogen atoms.",Cc1ccccc1-c1nc2n[nH]c(N)c2c(C)c1CC[NH+]1CCCC1C(C)C
BondNum,"The molecule consists of 29 single bonds, 5 double bonds, 12 rotatable bonds, and 24 aromatic bonds.",Cc1ccc(NC(=O)c2ccccc2NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3C)CC2)c(F)c1
FunctionalGroup,There is a molecule composed of and 1 amide group.,Cc1c(C)c2c([O-])c(C(=O)NC(C)C(=O)[O-])c(=O)n(C)n2c1C
AddComponent,Please add a aldehyde to the molecule CC(C)(C)OC(=O)N1CCc2c(C(=O)N3CCC(c4cc(F)cc(F)c4C(F)(F)F)CC3)n[nH]c2C1.,CC(C)(CCC=O)OC(=O)N1CCc2c(C(=O)N3CCC(c4cc(F)cc(F)c4C(F)(F)F)CC3)n[nH]c2C1
SubComponent,Modify the molecule halo by substituting a [NH3+]C(c1c(F)cccc1F)C12CC3CC(CC(C3)C1)C2 with a carboxyl.,[NH3+]C(c1c(F)cccc1C(=O)[OH])C12CC3CC(CC(C3)C1)C2
DelComponent,Remove a hydroxyl from the molecule CCC=CC=CC=CC=CCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)[O-])C(O)C(O)C1O)OC(=O)CCCCC=CCC=CCCCCCCCC.,CCC=CC=CC=CC=CCCCCCCCC(=O)OCC(COC1CC(O)C(O)C(CS(=O)(=O)[O-])O1)OC(=O)CCCCC=CCC=CCCCCCCCC
LogP,Modify the molecule COc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)n2)cc1 to have a lower LogP value.,COc1ccc(Oc2ccnc(C(=O)Nc3ccc4c(c3)OCO4)n2)cc1
MR,Modify the molecule C[NH+](C)CC1CC(O)CN1C(=O)C=Cc1cccnc1 to have a higher MR value.,C[NH+](C)CC1CC(O)C(O)N1C(=O)C=Cc1cccnc1
QED,Please optimize the molecule CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1O to have a lower QED value.,CCOc1cc(Cl)cc(C=CC(=O)c2cccc(Cl)c2)c1
AtomNum,"There is a molecule with 32 carbon atoms, 7 oxygen atoms, and 7 nitrogen atoms.",CC(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(N)=O
BondNum,"The molecule has 6 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",Cc1cccc([Ge](C)(C)c2ccccc2C)c1
FunctionalGroup,"There is a molecule consisting of 4 benzene ring groups, 2 amide groups, 1 amine group, 3 halo groups, and 1 sulfide group.",Cc1ccc(SC2=C(Nc3ccc(OCc4ccccc4)cc3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1
AddComponent,Modify the molecule CNc1cc(C[NH+]2CCOC(C)(C)C2)ccn1 by adding a hydroxyl.,CNc1cc(C[NH+]2CC(C)(C)OCC2O)ccn1
SubComponent,Modify the molecule halo by substituting a C[NH+]1CCN(C(=O)CCn2c(C(F)F)cc3cccnc32)CC1 with a carboxyl.,C[NH+]1CCN(C(=O)CCn2c(C(F)C(=O)[OH])cc3cccnc32)CC1
DelComponent,Remove a OC(C[NH2+]Cc1ccccc1OC(F)F)c1ccccc1 from the molecule halo.,OC(C[NH2+]Cc1ccccc1OCF)c1ccccc1
LogP,Modify the molecule CCN(CC)C(=O)C1Sc2nnc(C)n2NC1c1ccc(Cl)cc1 to have a lower LogP value.,CCN(CC)C(=O)C1Sc2nnc(C)n2NC1c1ccc(S)cc1
MR,Modify the molecule CCC1OCCCC=CC2CC2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)C2CC(Oc3nccc4cc(OC)ccc34)CN2C(=O)C1NC(=O)OC(C)(C)C(F)(F)F to increase its MR value.,CCC1OCCCC=CC2CC2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)C2CC(Oc3nccc4cc(OC)ccc34)CN2C(=O)C1NC(=O)OC(C)(C)C(F)(F)S
QED,Modify the molecule OCCSC1=C(SCCO)SC(=C2SC(SCCCI)=C(SCCCI)S2)S1 to have a higher QED value.,N#CCCCSC1=C(SCCCI)SC(=C2SC(SCCO)=C(SCCO)S2)S1
AtomNum,"The molecule contains 15 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CCNC(=O)CSc1nnc(C2CC2)n1-c1ccccc1
BondNum,"The molecule contains 13 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cc(F)ccc1C(O)C1([NH+](C)C)CCCC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, 1 amide group, and 1 sulfide group.",CCOC(=O)Cc1csc(NC(=O)c2ccccc2)n1
AddComponent,Modify the molecule COc1ccc(S(N)(=O)=O)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 by adding a hydroxyl.,COc1ccc(S(N)(=O)=O)cc1NC(=O)Cc1ccc(C(F)(F)F)c(O)c1
SubComponent,Substitute a halo in the molecule CCc1cccc(F)c1N(C)S(C)(=O)=O with a aldehyde.,CC(=O)c1cccc(CC)c1N(C)S(C)(=O)=O
DelComponent,Please remove a amide from the molecule Cc1[nH]c2cc(NC(=O)c3cccc4cccnc34)ccc2c1C(=O)Cc1ccc(C#N)cc1.,Cc1[nH]c2cc(-c34ncccc3ccc-4)ccc2c1C(=O)Cc1ccc(C#N)cc1
LogP,Modify the molecule CC(C)c1cc2[nH]c(=O)n(NS(C)=O)c(=O)c2cc1-c1cncnc1 to have a higher LogP value.,CC(C)c1cc2[nH]c(=O)n(S(C)=O)c(=O)c2cc1-c1cncnc1
MR,Modify the molecule Cc1ccc(NC(=O)OC(c2cc(Br)cc(Br)c2O)C(C)(C)CCO)cc1 to have a higher MR value.,CC(C)(CCO)C(OC(=O)Nc1ccc(Cc2ccccc2)cc1)c1cc(Br)cc(Br)c1O
QED,Please optimize the molecule OCCCNc1c(Br)c[nH+]cc1Br to have a lower QED value.,OCCCNc1cc[nH+]cc1Br
AtomNum,"The molecule consists of 26 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1[nH]ncc1C(=O)N1CCCC(Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1
BondNum,"Please generate a molecule with 12 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",Cc1[nH]c(-c2cccnc2)nc(=O)c1CC(=O)N(C)CC(C)(C)C[NH3+]
FunctionalGroup,"The molecule is composed of 1 amide group, 2 halo groups, and 2 sulfide groups.",Cc1cc(Cl)cc2sc(N(CC[NH+]3CCOCC3)C(=O)c3sc4ccccc4c3Cl)nc12
AddComponent,Add a amine to the molecule Cc1ccc(C)c(OCc2nnc(Sc3ccc4nnc(-c5ccsc5)n4n3)o2)c1.,Cc1cc(N)c(C)c(OCc2nnc(Sc3ccc4nnc(-c5ccsc5)n4n3)o2)c1
SubComponent,Substitute a hydroxyl in the molecule [NH3+]CC(O)CCOc1ccc2c(c1)OCO2 with a aldehyde.,CC(=O)C(C[NH3+])CCOc1ccc2c(c1)OCO2
DelComponent,Remove a CC(C)C[NH+]1CCC(Nc2nc(C(C)C)nc(N(C)C)n2)CC1 from the molecule amine.,CC(C)C[NH+]1CCC(c2nc(C(C)C)nc(N(C)C)n2)CC1
LogP,Optimize the molecule CC1CC(O)(C2(C[NH3+])CC3CCC2C3)C[NH+]1C to have a lower LogP value.,CC1CC(O)(C2(C[NH3+])CC3CCC2(O)C3)C[NH+]1C
MR,Please optimize the molecule Nc1cc(F)ccc1NC(=O)CCOc1ccccc1Br to have a lower MR value.,O=C(CCOc1ccccc1Br)Nc1ccc(F)cc1
QED,Modify the molecule CCOc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 to have a lower QED value.,CCOc1ccc(CNC(=O)Nc2ccccc2)cc1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1COCC1C(=O)[O-]
BondNum,"There is a molecule consisting of 4 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",C=Cc1ccc(S(=O)(=O)OCl)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",CCCC(C)c1nc(N2CCCN(C(=O)c3ccco3)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1
AddComponent,Add a hydroxyl to the molecule COCCNC(=O)c1cnc(-c2noc3cc(N4CCCC4)ccc23)s1.,COC(O)CNC(=O)c1cnc(-c2noc3cc(N4CCCC4)ccc23)s1
SubComponent,Modify the molecule C[NH+](C)C1CCN(c2cccc(-c3c[nH+]c4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)CC1 by substituting a halo with a aldehyde.,CC(=O)c1cccc(C2CCCN2c2ccc3[nH+]cc(-c4cccc(N5CCC([NH+](C)C)CC5)n4)n3n2)c1
DelComponent,Please remove a Cc1[nH]c(C(=O)[O-])cc1Cl from the molecule halo.,Cc1ccc(C(=O)[O-])[nH]1
LogP,Modify the molecule CN(Cc1ccc(F)cc1)C(=O)CC1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O to have a lower LogP value.,CN(Cc1ccc(NO)cc1)C(=O)CC1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O
MR,Please modify the molecule CC1CN(CC(=O)N(C)Cc2ccc(Cl)s2)CC(C)[NH2+]1 to increase its MR value.,CC1CN(CC(=O)N(C)Cc2ccc(S)s2)CC(C)[NH2+]1
QED,Modify the molecule COc1cc(-c2cccc(Cl)c2)c2cc(Br)ccc2n1 to decrease its QED value.,COc1cc(-c2cccc(Cl)c2)c2c(-c3ccccc3)c(Br)ccc2n1
AtomNum,"There is a molecule consisting of 10 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",CCC(O)(CC)CNc1nc(N)ncc1Cl
BondNum,"The molecule is composed of 16 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Cc1nc(C2CN(C(=O)NCCc3cc(F)c(F)c(F)c3)CCO2)n[nH]1
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 1 amide group, and 1 nitrile group.",CC(=NNC(=O)COc1ccccc1C#N)c1ccccc1OCc1ccccc1
AddComponent,Modify the molecule O=c1ccc2cc(S(=O)(=O)Nc3ccccc3-c3nc4ncccc4o3)ccc2o1 by adding a benzene ring.,O=c1ccc2cc(S(=O)(=O)Nc3ccccc3-c3nc4ncccc4o3)cc(-c3ccccc3)c2o1
SubComponent,Substitute a halo in the molecule CNC(=O)NNC(=O)c1cc2cc(Cl)ccc2o1 with a thiol.,CNC(=O)NNC(=O)c1cc2cc(S)ccc2o1
DelComponent,Remove a benzene ring from the molecule [NH3+]CCCC(=O)Nc1cc(Br)ccc1Cl.,[NH3+]CCCC(=O)N(Cl)Br
LogP,Modify the molecule CCCCCCC#CC(c1ccccc1)[NH+]1CCCCC1 to have a lower LogP value.,CCCCCCC#CC(c1ccc(N)cc1)[NH+]1CCCCC1
MR,Please modify the molecule Cc1cccc(C(=O)N(C)C2CCS(=O)(=O)C2)n1 to increase its MR value.,CN(C(=O)c1cccc(CO)n1)C1CCS(=O)(=O)C1
QED,Please optimize the molecule CSc1ccc(C(=O)N(C)c2ccc(Br)cc2F)cc1 to have a higher QED value.,CSc1ccc(C(=O)N(C)c2ccc(O)cc2F)cc1
AtomNum,"Please generate a molecule consisting 8 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",COC(=O)c1nc(C(F)(F)F)ccc1[N+](=O)[O-]
BondNum,"The molecule has 9 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C(=O)C(=O)Nc2ccccc2SCCC#N)cc1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 5 halo groups.",O=C(NC1CCC1)NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(I)cn1
AddComponent,Please add a amine to the molecule C[NH+]1CCC(C)(CN2CCC(Br)C2=O)CC1.,C[NH+]1CCC(C)(CN2CCC(Br)C2=O)C(N)C1
SubComponent,Substitute a halo in the molecule C[NH2+]Cc1cc(COCc2ccccc2Br)c(C)o1 with a carboxyl.,C[NH2+]Cc1cc(COCc2ccccc2C(=O)[OH])c(C)o1
DelComponent,Modify the molecule NNC(C1=CCCCC1)c1ccc2c(c1)CCO2 by removing a amine.,NC(C1=CCCCC1)c1ccc2c(c1)CCO2
LogP,Modify the molecule C[NH+](C)C(CNS(=O)(=O)CCCl)c1cccs1 to decrease its LogP value.,CC(=O)CCS(=O)(=O)NCC(c1cccs1)[NH+](C)C
MR,Modify the molecule O=C(CC(=O)N1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1)Cc1ccc(-c2ccccc2)cn1 to have a higher MR value.,N#Cc1cc(C(=O)N2CCN(C(=O)CC(=O)Cc3ccc(-c4ccccc4)cn3)CC2)cc(F)c1F
QED,Modify the molecule CNC(=O)c1ccc(OC2CCCC([NH3+])C2)nn1 to decrease its QED value.,Cn1nc(OC2CCCC([NH3+])C2)cc-1
AtomNum,"There is a molecule consisting of 8 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",O=C1CN(Cc2cc(Br)cs2)C(=O)N1
BondNum,"There is a molecule composed of 20 single bonds, 2 double bonds, 1 triple bond, 9 rotatable bonds, and 32 aromatic bonds.",N#Cc1ccc2[nH]cc(CCCC[NH+]3CCN(c4ccc5oc(C(=O)NC(=O)c6ccc(Br)cc6)c(-c6ccc(Br)cc6)c5c4)CC3)c2c1
FunctionalGroup,"There is a molecule consisting of 1 amine group, and 1 halo group.",CC1(C2CNc3c(Cl)cccc32)CCCCC1
AddComponent,Add a hydroxyl to the molecule CSCCC(CSC)C([NH3+])CSC.,CSCCC(CSC)C([NH3+])C(O)SC
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc(C#N)c(NCc2ccc(O)cc2)c1 with a carboxyl.,COc1ccc(C#N)c(NCc2ccc(C(=O)[OH])cc2)c1
DelComponent,Modify the molecule amide by removing a Nc1c(NN2CCc3ccc(CNC(=O)c4cc(C(=O)NC5CCc6cc(-c7nc(=O)o[nH]7)ccc65)n5c(O)c[nH+]c5n4)cc3C2)c(=O)c1=O.,Nc1c(NN2CCc3ccc(Cn4c5[nH+]cc(O)n5c(C(=O)NC5CCc6cc(-c7nc(=O)o[nH]7)ccc65)c-4)cc3C2)c(=O)c1=O
LogP,Modify the molecule CCCCC(C1OCCC1c1ccccc1)[Si](C)(C)c1ccccc1 to have a lower LogP value.,CCCCC(C1OCCC1c1ccccc1)[Si](C)(CO)c1ccccc1
MR,Modify the molecule CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc34)CC2)cc1 to decrease its MR value.,CCOS(=O)(=O)N1CC[NH+](Cc2cccc3ccccc23)CC1
QED,Please optimize the molecule COc1ccc(CCC(=O)NC2CCN(C(=O)CCl)CC2)cc1OC to have a lower QED value.,COC(CC(=O)NC1CCN(C(=O)CCl)CC1)OC
AtomNum,"There is a molecule consisting of 23 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 4 fluorine atoms.",CC(C)N1CCCn2c1cc(OCc1ccc(Oc3ccc(C(F)(F)F)nc3)c(F)c1)nc2=O
BondNum,"Please generate a molecule consisting 11 single bonds, and 3 rotatable bonds.",[NH3+]C1CCOCC1SCCO
FunctionalGroup,"Please generate a molecule consisting 1 amine group, and 2 halo groups.",Fc1ccc(Cl)c2c1CC[NH2+]C2C1CCCCN1
AddComponent,Please add a hydroxyl to the molecule Nc1ccc2oc(CN(CC(O)c3cccc(Cl)c3)C(=O)[O-])cc2c1.,Nc1ccc2oc(CN(CC(O)(O)c3cccc(Cl)c3)C(=O)[O-])cc2c1
SubComponent,Please substitute a hydroxyl in the molecule [NH3+]C1CCCCCC1N1CCC(CO)CC1 with a nitrile.,N#CCC1CCN(C2CCCCCC2[NH3+])CC1
DelComponent,Modify the molecule hydroxyl by removing a CS(=O)(=O)c1cc(C(O)C[NH2+]C2CCCC2)ccc1[O-].,CS(=O)(=O)c1cc(CC[NH2+]C2CCCC2)ccc1[O-]
LogP,Optimize the molecule CCCc1cc(OCc2c(C)nn(C)c2Cl)c(C(=O)[O-])s1 to have a lower LogP value.,CCCc1cc(OCc2c(C)nn(C)c2O)c(C(=O)[O-])s1
MR,Modify the molecule CC(=O)NCC(O)COC1C2CN(c3c(F)cc(N4CC(CNC(C)=O)OC4=O)cc3F)CC21 to decrease its MR value.,CC(=O)NCCCOC1C2CN(c3c(F)cc(N4CC(CNC(C)=O)OC4=O)cc3F)CC21
QED,Please optimize the molecule CCNC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccc(OCC)cc1 to have a lower QED value.,CCNC(=O)C(O)Sc1nnc(-c2ccccc2Cl)n1-c1ccc(OCC)cc1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Nc1ccc2oc(C3C4CCCCC43)nc2c1
BondNum,"There is a molecule consisting of 13 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",COC(=O)c1ccc(OC2CCOCC2)cc1OC
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ketone group, 2 amine groups, 1 halo group, and 1 sulfide group.",CC(C)C(=O)c1sc(Nc2ccccc2F)nc1N
AddComponent,Add a benzene ring to the molecule COc1nc2cc(C)c(C)c(-c3nc(=O)o[nH]3)c2nc1OC.,COc1nc2c(-c3nc(=O)o[nH]3)c(C)c(C)cc2nc1OCc1ccccc1
SubComponent,Modify the molecule halo by substituting a CC[NH2+]Cc1cccc(F)c1N(C)CCC(C)O with a nitrile.,CC[NH2+]Cc1cccc(C#N)c1N(C)CCC(C)O
DelComponent,Please remove a benzene ring from the molecule CCN(CC)CC(C)[NH2+]C1CCCCC1c1ccccc1.,CCN(CC)CC(C)[NH2+]C1CCCCC1
LogP,Please optimize the molecule CCC(C)OC(=O)Cn1cnc2sc(C(=O)OCCc3ccccc3)c(C)c2c1=O to have a lower LogP value.,CCC(C)OC(=O)C(O)n1cnc2sc(C(=O)OCCc3ccccc3)c(C)c2c1=O
MR,Please modify the molecule COC(OC)C(CNC(=O)C1Cc2cccc(N(C)S(=O)(=O)c3ccco3)c2N1)SCc1ccccc1 to decrease its MR value.,COC(OC)C(CN1Cc2cccc(N(C)S(=O)(=O)c3ccco3)c21)SCc1ccccc1
QED,Please optimize the molecule CCNC(=[NH+]CC1CC[NH+](C2CC2)C1)N1CCC(COC)C1 to have a higher QED value.,CCNC(=[NH+]CC1CC[NH+](C2CC2)C1)N1CC(COC)C(c2ccccc2)C1
AtomNum,"Please generate a molecule with 32 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1N(c1ccccc1)c1ccccc1
BondNum,"There is a molecule with 5 single bonds, 1 triple bond, 2 rotatable bonds, and 12 aromatic bonds.",CN(c1cccc(F)c1)c1cccc(C#N)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 3 amide groups, and 1 sulfoxide group.",Cc1ccc(S(=O)C23CC2C=CCCCCCC(OC(N)=O)C(=O)N2CCCC2(C(N)=O)C(=O)N3)cc1
AddComponent,Modify the molecule O=C(NCc1ccnc(Br)c1)c1cncc2c1cnn2-c1ccc(F)cc1 by adding a hydroxyl.,O=C(NCc1ccnc(Br)c1)c1cncc2c1cnn2-c1ccc(F)cc1O
SubComponent,Substitute a halo in the molecule CC[NH2+]C(Cc1cccc(O)c1)c1ccc(Cl)c(Br)c1 with a thiol.,CC[NH2+]C(Cc1cccc(O)c1)c1ccc(S)c(Br)c1
DelComponent,Please remove a O=COC1CC(F)(F)C1(F)F from the molecule halo.,O=COC1CC(F)C1(F)F
LogP,Modify the molecule CCC1(CNc2nc(Cl)nc(-n3ccnc3)n2)CC1 to increase its LogP value.,CCC1(Cc2nc(Cl)nc(-n3ccnc3)n2)CC1
MR,Please optimize the molecule CN(Cc1ccc(-c2nnc(-c3nc(N4CC5CCC([NH3+])C5C4)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o2)cc1)C(=O)OC(C)(C)C to have a lower MR value.,CN(Cc1nnc(-c2nc(N3CC4CCC([NH3+])C4C3)cnc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)o1)C(=O)OC(C)(C)C
QED,Modify the molecule O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 to have a higher QED value.,O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1
AtomNum,"Please generate a molecule consisting 61 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)cc3)c3cccc4ccccc34)cc21
BondNum,"The molecule contains 9 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",O=C([O-])CC1CCC(c2cc[nH]c2)n2cccc21
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ketone group, 1 ester group, 1 amine group, and 1 halo group.",Cc1ccc(C2C3=C(COCC3=O)NC3=C2C(=O)OC3)cc1I
AddComponent,Modify the molecule Cc1cc(Br)cc(Nc2ccc(N)c(CC#N)c2)c1 by adding a carboxyl.,Cc1cc(Nc2ccc(N)c(CC#N)c2)cc(Br)c1C(=O)O
SubComponent,Please substitute a halo in the molecule C[NH+]=C(NCCCc1ccc(Cl)cc1Cl)N1CCOC(C2CCCO2)C1 with a aldehyde.,CC(=O)c1ccc(CCCNC(=[NH+]C)N2CCOC(C3CCCO3)C2)c(Cl)c1
DelComponent,Modify the molecule Nc1ccc2nc(NS(=O)(=O)CC(=O)[O-])sc2c1 by removing a amine.,O=C([O-])CS(=O)(=O)Nc1nc2ccccc2s1
LogP,Please modify the molecule CCCCC=CC(OP(=O)(OCC)OCC)C1CCCCC1 to decrease its LogP value.,CCOP(=O)(OCC)OC(C=CCCCCC(=O)O)C1CCCCC1
MR,Optimize the molecule CNS(=O)(=O)CCNC(=O)N1CCCCCC1C(=O)[O-] to have a lower MR value.,CS(=O)(=O)CCNC(=O)N1CCCCCC1C(=O)[O-]
QED,Please optimize the molecule CC(C)Oc1ccc(CCc2nnc(SCCO)n2-c2ccccc2)cc1 to have a lower QED value.,CCSc1nnc(CCc2ccc(OC(C)C)cc2)n1-c1ccccc1
AtomNum,"The molecule has 13 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 3 fluorine atoms.",COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1F
BondNum,"The molecule contains 9 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",CC(C)(C)CC(C)(C)Nc1nc2ccccc2s1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 2 halo groups, and 1 sulfide group.",Cc1cc(C(=O)Nc2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2)c2cc(F)ccc2n1
AddComponent,Add a benzene ring to the molecule CN1C(=O)N(CC(=O)N2CCCC(C(=O)NCCNC(=O)OC(C)(C)C)C2)C(=O)C12CCCCC2.,CN1C(=O)N(CC(=O)N2CCCC(C(=O)NCCNC(=O)OC(C)(C)Cc3ccccc3)C2)C(=O)C12CCCCC2
SubComponent,Substitute a O=C([O-])CCC(NC(=O)c1ccc(NCc2cnc3[nH]c(NC(=O)C(F)(F)F)nc(=O)c3n2)cc1)C(=O)[O-] in the molecule halo with a carboxyl.,O=C([O-])CCC(NC(=O)c1ccc(NCc2cnc3[nH]c(NC(=O)C(F)(F)C(=O)[OH])nc(=O)c3n2)cc1)C(=O)[O-]
DelComponent,Modify the molecule NS(=O)(=O)c1ccc(CCNC(=O)c2oc3ccccc3c2CSC2CCCCC2)cc1 by removing a amine.,O=C(NCCc1ccc([SH](=O)=O)cc1)c1oc2ccccc2c1CSC1CCCCC1
LogP,Modify the molecule O=C1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(c2ccc(F)cc2)c2cc(Br)ccc2N1 to have a higher LogP value.,O=C1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(c2ccccc2)(c2ccc(F)cc2)c2cc(Br)ccc2N1
MR,Please modify the molecule C[NH2+]C(c1ccc(Cl)c(C)c1)c1ncc(OC)nc1OC to increase its MR value.,CC(=O)c1ccc(C([NH2+]C)c2ncc(OC)nc2OC)cc1C
QED,Please optimize the molecule CCc1cc(C)cc(C)c1CC(C)=O to have a higher QED value.,CCc1cc(CO)cc(C)c1CC(C)=O
AtomNum,"Please generate a molecule with 12 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",N#CCCSc1nccn1Cc1cccnc1
BondNum,"There is a molecule consisting of 10 single bonds, 3 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",CNC(=O)c1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 sulfide group.",CCCCCN(C)c1nc(-c2ccccc2)c(C[NH2+]C)s1
AddComponent,Modify the molecule O=C([O-])CC(=O)NCc1ccc2ncoc2c1 by adding a hydroxyl.,O=C([O-])CC(=O)NCc1ccc2nc(O)oc2c1
SubComponent,Substitute a halo in the molecule C[NH+]1CCN(N=Cc2ccccc2F)CC1 with a aldehyde.,CC(=O)c1ccccc1C=NN1CC[NH+](C)CC1
DelComponent,Please remove a CCCNC(C#N)(COCC1CCCC1)c1ccccc1 from the molecule nitrile.,CCCNC(COCC1CCCC1)c1ccccc1
LogP,Modify the molecule COc1ccccc1OCC[NH+](Cc1ccccc1)CC(O)COc1ccc(N)cc1 to have a lower LogP value.,COc1ccccc1OCC[NH+](Cc1ccccc1C(=O)O)CC(O)COc1ccc(N)cc1
MR,Please optimize the molecule Cc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)c1 to have a higher MR value.,Cc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(S)cccc3s2)c1
QED,Modify the molecule CC(C(N)=O)N(C(=O)Cc1cc(F)cc(F)c1)C1C(=O)N(C2CCCCC2)c2cc(Cl)ccc2SC1c1ccccc1 to decrease its QED value.,CC(=O)c1cc(F)cc(CC(=O)N(C(C)C(N)=O)C2C(=O)N(C3CCCCC3)c3cc(Cl)ccc3SC2c2ccccc2)c1
AtomNum,"The molecule contains 27 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cc1cc(Oc2ccnc(Nc3cccc(C(=O)NC4CC4)c3)c2)c(-c2ccccn2)nc1C
BondNum,"The molecule consists of 13 single bonds, 1 double bond, 8 rotatable bonds, and 6 aromatic bonds.",COCCOCCC(=O)c1cccc(C2CCC2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfide group.",COc1ccc(-c2csc(N(C)C(=O)CCl)n2)cc1
AddComponent,Please add a benzene ring to the molecule Cc1c(I)cccc1NCCc1cnn(C)c1.,Cc1c(I)cc(-c2ccccc2)cc1NCCc1cnn(C)c1
SubComponent,Please substitute a nitrile in the molecule CC1CCC(C#N)(N(C)C(=O)C(C)[NH+]2CCCC3(CCS(=O)(=O)C3)C2)CC1 with a halo.,CC1CCC(I)(N(C)C(=O)C(C)[NH+]2CCCC3(CCS(=O)(=O)C3)C2)CC1
DelComponent,Please remove a halo from the molecule Cc1ccc(C2(C)C(CCl)C2(C)C)o1.,Cc1ccc(C2(C)C(C)C2(C)C)o1
LogP,Modify the molecule O=C(Nc1cccc(Br)c1)Nc1cc(C(=O)[O-])ccc1F to have a lower LogP value.,O=C(NBr)Nc1cc(C(=O)[O-])ccc1F
MR,Modify the molecule Nc1c(Br)c(C2CCS(=O)(=O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12 to increase its MR value.,Nc1c(Br)c(C2CCS(=O)(=O)C(c3ccccc3)C2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12
QED,Modify the molecule O=C(C1CCCC(F)C1)N1CC[NH+](C2CCC2)CC1 to have a lower QED value.,O=C(C1CCCC(O)C1)N1CC[NH+](C2CCC2)CC1
AtomNum,"There is a molecule composed of 23 carbon atoms, 1 oxygen atom, and 10 nitrogen atoms.",C=CC(=O)NC1(C)CN(c2nc(Nc3cnn(C4CC[NH+](C)C4)c3)c3ncn(C(C)C)c3n2)C1
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",COc1cc(C=NNc2nnc(C)n2N)cc(I)c1O
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 halo group.",Brc1ccccc1C[NH+]1CCC(c2ccccc2)C1
AddComponent,Add a hydroxyl to the molecule CCCCSCC(O)C[NH+]1CCOCC1.,CCCCSCC(O)C[NH+]1CCOC(O)C1
SubComponent,Please substitute a halo in the molecule C[NH2+]Cc1cc(I)ccc1Oc1ccc(OC(F)(F)F)cc1 with a nitro.,C[NH2+]Cc1cc(NO)ccc1Oc1ccc(OC(F)(F)F)cc1
DelComponent,Modify the molecule Cc1ccc(-n2cnnc2SCC(=O)NCCCOCC2CC2)cc1C by removing a benzene ring.,CCn1cnnc1SCC(=O)NCCCOCC1CC1
LogP,Please optimize the molecule CC(C)(C)OC(=O)CC1c2cccc(Br)c2C=CN1C(=O)OCC(Cl)(Cl)Cl to have a lower LogP value.,CC(C)(C)OC(=O)CC1c2ccccc2C=CN1C(=O)OCC(Cl)(Cl)Cl
MR,Please modify the molecule CCCCCCCCCCCNC(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CC(C)C)B1OC2CC3CC(C3(C)C)C2(C)O1 to increase its MR value.,CCCCCCCC(O)CCCNC(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CC(C)C)B1OC2CC3CC(C3(C)C)C2(C)O1
QED,Modify the molecule C[NH2+]C(CC[NH+](C)CCN1CCCC1)c1ccc(F)cn1 to decrease its QED value.,C[NH2+]C(CC[NH+](C)CCN1CCC(S)C1)c1ccc(F)cn1
AtomNum,"Please generate a molecule with 24 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCOc1ccc(Oc2ccc(NC(=O)c3cc(=O)[nH]c4ccccc34)cc2)cc1
BondNum,"There is a molecule composed of 33 single bonds, 4 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C(=O)NC2CCCCC2C)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CCCC3)c(Cl)c2)CC1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 hydroxyl group, 1 ketone group, and 1 halo group.",CC12CC(=Cc3ccccc3C#Cc3cccc(F)c3)C(=O)C=C1CCCC2O
AddComponent,Modify the molecule COc1c(Cl)ccc2c1C(C(C)S)[NH2+]CC2 by adding a carboxyl.,COc1c(Cl)ccc2c1C(C(C)S)[NH2+]C(C(=O)O)C2
SubComponent,Please substitute a hydroxyl in the molecule C=CCc1cc(C=C2C(=O)NC(=O)N(C)C2=O)cc(OC)c1O with a nitrile.,C=CCc1cc(C=C2C(=O)NC(=O)N(C)C2=O)cc(OC)c1C#N
DelComponent,Modify the molecule CC(COc1ccc(-c2ccnc3ccc(Cl)cc23)cc1C(F)(F)F)CC(C)(C)[NH3+] by removing a halo.,CC(COc1ccc(-c2ccnc3ccccc23)cc1C(F)(F)F)CC(C)(C)[NH3+]
LogP,Please modify the molecule Cn1ccc(NCc2sccc2Br)n1 to decrease its LogP value.,Cn1ccc(NCc2scc(N)c2Br)n1
MR,Please optimize the molecule C[NH+]=C(NCCCCCc1ccccc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 to have a higher MR value.,C[NH+]=C(NCCC(CCc1ccccc1)c1ccccc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1
QED,Please modify the molecule CC(=O)NCC1CN(c2ccc(-c3nnc(CCCC#N)s3)c(F)c2)C(=O)O1 to decrease its QED value.,CC(=O)NCC1CN(c2ccc(-c3nnc(CCCC#N)s3)c(C(=O)[OH])c2)C(=O)O1
AtomNum,"The molecule consists of 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 chlorine atom.",Cc1ncccc1C(NN)c1cc2cccc(Cl)c2o1
BondNum,"Please generate a molecule composed of 17 single bonds, 7 rotatable bonds, and 10 aromatic bonds.",CC(C)C(O)C(O)C(C)c1[nH]nc2c(N)nc(OCC3CCC3)nc12
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 2 halo groups.",CCCc1[nH]n(Cc2ccc(Br)cc2)c(=O)c1Br
AddComponent,Modify the molecule CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2)c(C)c1 by adding a amine.,CCN(C(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2)c(C)c1)C(C)N
SubComponent,Please substitute a hydroxyl in the molecule CC(C)(c1cc(O)cc(O)c1)C([NH3+])c1ccc(O)cc1 with a halo.,CC(C)(c1cc(O)cc(Cl)c1)C([NH3+])c1ccc(O)cc1
DelComponent,Please remove a amide from the molecule O=C1NCC(=O)N2CCN(C(=O)Cn3ccc4ccccc43)CC12.,O=C1CC2N1CCN2C(=O)Cn1ccc2ccccc21
LogP,Optimize the molecule CCCCCCC[NH+](CC)CC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC(O)CCCC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC(O)CC to have a higher LogP value.,CCCCCCC[NH+](CC)CC(Cl)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC(O)CCCC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC(O)CC
MR,Please optimize the molecule C[NH+](Cc1ccccc1Br)CC1(C(=O)[O-])CC1 to have a lower MR value.,C[NH+](CBr)CC1(C(=O)[O-])CC1
QED,Please optimize the molecule CNC(=O)Cn1cc(C2=CC[NH2+]CC2)c2cc(F)ccc21 to have a lower QED value.,CNC(=O)Cn1cc(C2=CC(O)[NH2+]CC2)c2cc(F)ccc21
AtomNum,"The molecule consists of 17 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)Oc1ccc(-c2nc(-c3ccccn3)cs2)cc1N
BondNum,"Please generate a molecule with 8 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(C[NH3+])N(C)S(=O)(=O)c1cccc(F)c1
FunctionalGroup,"There is a molecule with 1 hydroxyl group, and 1 ester group.",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OP(=O)([O-])OP(=O)([O-])[O-]
AddComponent,Add a amine to the molecule C=CCOc1c(I)cc(C2C(C(=O)OCC)=C(C)NC3=C2C(=O)c2ccccc23)cc1I.,C=CCOc1c(I)cc(C2C(C(=O)OCC)=C(C)NC3=C2C(=O)c2cccc(N)c23)cc1I
SubComponent,Please substitute a CCOC(=O)c1c[nH+]c2ccc(F)cc2c1N(C)Cc1nccs1 in the molecule halo with a thiol.,CCOC(=O)c1c[nH+]c2ccc(S)cc2c1N(C)Cc1nccs1
DelComponent,Modify the molecule Cc1ccc(C(N)=S)c(NCC[NH+]2CCOCC2)c1 by removing a benzene ring.,CN(CC[NH+]1CCOCC1)C(N)=S
LogP,Optimize the molecule CCOc1cc(C=NNC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 to have a lower LogP value.,CCOc1cc(C=NNC(=O)c2ccc(N3CCCC3)cc2)c(S)cc1OCC(=O)Nc1ccc(C)cc1
MR,Please modify the molecule Cc1c(C)n(CC(O)CNc2ccccc2Cl)c2ccccc12 to increase its MR value.,CC(=O)C(CNc1ccccc1Cl)Cn1c(C)c(C)c2ccccc21
QED,Please modify the molecule CNC(=O)c1cnc(Br)c(OC2CC2)c1 to decrease its QED value.,CC(=O)c1ncc(C(=O)NC)cc1OC1CC1
AtomNum,"The molecule consists of 11 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",CC(C)(C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1
BondNum,"The molecule has 10 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",CC[NH2+]C(Cc1ccccc1[N+](=O)[O-])c1cc(OC)cs1
FunctionalGroup,"The molecule consists of 1 amine group, and 1 nitrile group.",Cc1cc(NCCC2CCCC2)c(C#N)c(C)[nH+]1
AddComponent,Please add a thiol to the molecule NC(=[NH2+])SC(CN1CCCC1=O)C[NH+]1CCCCC1.,NC(=[NH2+])SC(CN1CC(S)CC1=O)C[NH+]1CCCCC1
SubComponent,Modify the molecule CS(=O)(=O)N1CCc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 by substituting a halo with a aldehyde.,CC(=O)c1ccc(CC(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)cc1
DelComponent,Remove a O=S(=O)(c1ccccc1)N1C(OCc2ccccc2)C2(CC2)C1c1ccccc1 from the molecule benzene ring.,COC1N(S(=O)(=O)c2ccccc2)C(c2ccccc2)C12CC2
LogP,Please modify the molecule CC(=O)OCC(CO)CCn1c(=O)nc(Nc2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)cc2)c1=O to increase its LogP value.,CC(=O)OCC(CO)CCn1c(=O)nc(Nc2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)c(-c3ccccc3)c2)c1=O
MR,Please optimize the molecule CC(C)[NH2+]CCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc21 to have a higher MR value.,CC(C)[NH2+]CCCn1c(Sc2cc(N)c(Cl)cc2Cl)nc2c(N)ncnc21
QED,Please modify the molecule Nc1cc(N2CC3CC4CC3C2C4O)ncn1 to increase its QED value.,OC1C2CC3CN(c4ccncn4)C1C3C2
AtomNum,"The molecule is composed of 17 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",CCC(=O)Nc1cc(C(=O)Nc2nc(OC)cc(OC)n2)ccc1OC
BondNum,"The molecule has 6 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",COc1ccc(F)cc1-n1nnc(CO)n1
FunctionalGroup,Please generate a molecule composed of and 1 halo group.,Cc1cnn(C(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)c1
AddComponent,Modify the molecule CC(C)(C)CCC(=O)C1=CC(CC(C)(C)CCC(=O)C2=CCCCC2)CC1 by adding a hydroxyl.,CC(C)(CO)CCC(=O)C1=CC(CC(C)(C)CCC(=O)C2=CCCCC2)CC1
SubComponent,Substitute a nitrile in the molecule Cc1c(C(=O)C[NH+]2CC=CC2)c2ncc(Br)cc2n1-c1ccc(C#N)cc1 with a aldehyde.,CC(=O)c1ccc(-n2c(C)c(C(=O)C[NH+]3CC=CC3)c3ncc(Br)cc32)cc1
DelComponent,Please remove a amide from the molecule CSCC[NH2+]Cc1ccc(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)cn1.,CSCC[NH2+]Cc1ccc(-c2ccc(N3CC(C)OC3=O)cc2F)cn1
LogP,Modify the molecule CCC[NH+](CC)CCNC(=O)C([NH3+])C(C)CC to increase its LogP value.,CCC[NH+](CC)CCC(C)([NH3+])CC
MR,Optimize the molecule CCOC(=O)C1CCN(C(=O)COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2)CC1 to have a higher MR value.,CCOC(=O)C1CCN(C(=O)COc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)CC1
QED,Modify the molecule Clc1ccccc1Cn1c(CSc2ccccc2)nc2ccccc21 to have a higher QED value.,c1ccc(Cn2c(CSc3ccccc3)nc3ccccc32)cc1
AtomNum,"The molecule has 29 carbon atoms, 6 oxygen atoms, and 10 nitrogen atoms.",O=C1C(=CNNc2nc(NNC=C3C=CC=C([N+](=O)[O-])C3=O)nc(N(c3ccccc3)c3ccccc3)n2)C=CC=C1[N+](=O)[O-]
BondNum,"There is a molecule with 27 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",C[NH+]1CCC(C(=O)N2CCC(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(c3ccccc3)C2)CC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ester group, and 1 sulfide group.",CC(=O)Oc1c(-c2ccccc2)sc2ccccc12
AddComponent,Modify the molecule CCN(CC)C(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cc(C(=O)N4CCC(C)CC4)ccc3C)CC2)ccc1Cl by adding a amine.,CCN(CC)C(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cc(C(=O)N4CCC(C)CC4)c(N)cc3C)CC2)ccc1Cl
SubComponent,Modify the molecule hydroxyl by substituting a OCC(Nc1ccccc1F)c1ccc2ccccc2c1 with a nitro.,ONCC(Nc1ccccc1F)c1ccc2ccccc2c1
DelComponent,Modify the molecule benzene ring by removing a CC1(C)CCCC1c1nc(-c2ccc(N)cc2)no1.,CC1(C)CCCC1c1nc(N)no1
LogP,Optimize the molecule CC(C)(C)C(=O)OCOC(=O)CCCCCN1C(=O)C=CC1=O to have a lower LogP value.,CC(C)(C)C(=O)OC(O)OC(=O)CCCCCN1C(=O)C=CC1=O
MR,Please modify the molecule O=C(CCCOc1ccc(Cl)cc1Cl)NNC=C1CCCCC1 to decrease its MR value.,N#Cc1ccc(OCCCC(=O)NNC=C2CCCCC2)c(Cl)c1
QED,Please modify the molecule O=C([O-])c1ccc(OCC=Cc2ccccc2)c(F)c1Br to increase its QED value.,O=C([O-])c1ccc(OCC=Cc2ccccc2)cc1Br
AtomNum,"There is a molecule consisting of 18 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC(C)Cc1ccc(CC(=O)NC2CC[NH2+]CC2C)cc1
BondNum,"There is a molecule with 23 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC1(C)OCC(C2OC(N([O-])Cc3ccccc3)C3OC(C)(C)OC23)O1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 hydroxyl groups, 1 ketone group, 1 amide group, and 2 halo groups.",O=C(NC1=CC(=O)C2OC2C1O)c1cc(Cl)c(Cl)cc1O
AddComponent,Modify the molecule CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1C by adding a carboxyl.,CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CC(C(=O)O)CC3)ccc1C
SubComponent,Please substitute a nitrile in the molecule N#Cc1cc(=O)[nH]nc1-c1coc2ccccc12 with a carboxyl.,O=C([OH])c1cc(=O)[nH]nc1-c1coc2ccccc12
DelComponent,Please remove a halo from the molecule CNC(=O)c1ccccc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)CC1.,CNC(=O)c1ccccc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC1
LogP,Modify the molecule CCOc1ccc(C2C(c3ccc(OCC)c(OCC)c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 to have a lower LogP value.,CCOc1ccc(C2C(c3ccc(OCC)c(OCC)c3)=C(O)C(=O)N2c2ccc(O)cc2)cc1
MR,Optimize the molecule COc1cccc(CCNC(=O)Nc2ccccc2C(C)(C)C)c1 to have a lower MR value.,COc1cccc(CCNC(=O)NC(C)(C)C)c1
QED,Please optimize the molecule CC(=O)Nc1cccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)c1 to have a lower QED value.,CC(=O)Nc1cc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)ccc1-c1ccccc1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1ccc2c(c1)CCCC2=NNC(=O)CN1CCCCCC1=O
BondNum,"The molecule contains 7 single bonds, 2 double bonds, and 1 rotatable bond.",CC=NNC(=O)S(C)(C)C
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 halo group, and 1 sulfide group.",Clc1cccc(-c2cnc3c(n2)sc2c4ccccc4c4ccccc4c32)c1
AddComponent,Modify the molecule CSC1(C[NH2+]Cc2cnco2)CC1 by adding a hydroxyl.,CSC1(C[NH2+]Cc2cnco2)CC1O
SubComponent,Please substitute a Cc1cc(C(=O)[O-])nc(Oc2ccc(Br)cc2Br)n1 in the molecule halo with a hydroxyl.,Cc1cc(C(=O)[O-])nc(Oc2ccc(O)cc2Br)n1
DelComponent,Remove a benzene ring from the molecule COc1ccc(NC(=O)CSc2nccn2-c2cccc(C(=O)NCc3ccccc3)c2)cc1.,CONC(=O)CSc1nccn1-c1cccc(C(=O)NCc2ccccc2)c1
LogP,Please optimize the molecule CC[NH2+]C1CCCS(=O)c2ccc(OC)cc21 to have a lower LogP value.,CC[NH2+]C1c2cc(OC)ccc2S(=O)CCC1O
MR,Optimize the molecule N#Cc1ccc(CNC(=O)N2CCC2)cc1 to have a higher MR value.,ONc1ccc(CNC(=O)N2CCC2)cc1
QED,Please optimize the molecule O=C1CCCc2cc(C#Cc3ccccc3)ccc21 to have a lower QED value.,C#Cc1ccc2c(c1)CCCC2=O
AtomNum,"The molecule has 19 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CC(=O)c1cc(C(=O)NC(CCC(=O)[O-])CC2CCCCC2)n(C)c1
BondNum,"There is a molecule with 15 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",COc1ccc2c(c1)C(O)C(C1CCCC[NH2+]1)CC2
FunctionalGroup,The molecule consists of and 1 amine group.,CCOC(=S)N[n+]1cc2cc(OC)c(OC)cc2nc1C
AddComponent,Add a carboxyl to the molecule COc1cc(C(=O)NCc2n[nH]c(=S)n2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC.,COc1cc(C(=O)NCc2n[nH]c(=S)n2-c2ccc([N+](=O)[O-])cc2)cc(OCC(=O)O)c1OC
SubComponent,Substitute a nitrile in the molecule N#CCc1ccccc1CC(=O)NCC(O)c1ccc(Cl)cc1 with a aldehyde.,CC(=O)Cc1ccccc1CC(=O)NCC(O)c1ccc(Cl)cc1
DelComponent,Please remove a amide from the molecule COCC[NH2+]CC(=O)Nc1ccccc1SCCC(N)=O.,COCC[NH2+]c1ccccc1SCCC(N)=O
LogP,Please optimize the molecule Cc1cccc(C(=O)Nc2cccc(F)c2)c1NC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3c(F)cccc3F)c2C)CC1 to have a higher LogP value.,CC(=O)c1cccc(NC(=O)c2cccc(C)c2NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4c(F)cccc4F)c3C)CC2)c1
MR,Modify the molecule COc1ccccc1Oc1ccc(CNC(=O)C2CCCc3[nH]ncc32)cc1 to have a higher MR value.,COc1ccccc1Oc1ccc(CNC(=O)C2(C(=O)O)CCCc3[nH]ncc32)cc1
QED,Please modify the molecule CC(C)c1cccc(C(C)C)c1NC(=O)Nc1c(-c2cccc(C#CC[NH+]3CCCC3)c2)c2cccnc2n(CCCO)c1=O to decrease its QED value.,CC(C)c1cccc(C(C)C)c1NC(=O)Nc1c(-c2cccc(C#CC[NH+]3CCCC3)c2)c2cc(C(=O)O)cnc2n(CCCO)c1=O
AtomNum,"The molecule has 16 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",CCc1nc(NC(C)=O)nc(NC(C)=O)c1-c1ccc(Cl)cc1
BondNum,"Please generate a molecule composed of 14 single bonds, 1 double bond, 6 rotatable bonds, and 18 aromatic bonds.",CCC(=O)N1CCC(Oc2ccc(-c3ccc(Oc4ccccc4)nc3)cc2)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amine groups, 1 halo group, and 1 sulfone group.",CCc1cc(F)cc(S(N)(=O)=O)c1N
AddComponent,Please add a hydroxyl to the molecule CC(C)CC(C(=O)[O-])N([N+](=O)[O-])[N+](=O)[O-].,CC(CO)CC(C(=O)[O-])N([N+](=O)[O-])[N+](=O)[O-]
SubComponent,Please substitute a hydroxyl in the molecule CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCN(c4ccc(O)cc4)CC3)cc2)CC1 with a nitrile.,CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCN(c4ccc(C#N)cc4)CC3)cc2)CC1
DelComponent,Remove a CC(C)C([NH3+])C(O)c1ccc(C2CCCCC2)cc1 from the molecule hydroxyl.,CC(C)C([NH3+])Cc1ccc(C2CCCCC2)cc1
LogP,Please optimize the molecule Cc1ccc(C)c(-n2nnnc2SC(C)C(=O)Nc2ccc3c(c2)OCO3)c1 to have a lower LogP value.,Cc1ccc(C)c(-n2nnnc2SC(C)C(=O)Nc2cc3c(cc2C(=O)O)OCO3)c1
MR,Please modify the molecule [C-]#[N+]c1c(C)ncc2c(N=Nc3ccc(O)c(NC(O)CCC)n3)snc12 to decrease its MR value.,[C-]#[N+]c1c(C)ncc2c(N=Nc3ccc(O)c(C(O)CCC)n3)snc12
QED,Please optimize the molecule O=C1Cc2cc(NC(=O)c3cc4nc(N5CCCCC5)sc4s3)ccc2N1 to have a lower QED value.,O=C(Nc1ccc2c(c1)C(c1ccccc1)C(=O)N2)c1cc2nc(N3CCCCC3)sc2s1
AtomNum,"Please generate a molecule with 19 carbon atoms, 4 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",CCCCNc1nc(SCCC)nc2c1nnn2C1CC(OCCCO)C(O)C1O
BondNum,"Please generate a molecule consisting 13 single bonds, 2 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",CCC[NH2+]C(CCOc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 halo group.",C=C(C)c1ccc(Br)cc1OCCCC
AddComponent,Add a benzene ring to the molecule CCN(CC)c1nc(NC)nc(NCCC2CCCO2)n1.,CCN(c1nc(NC)nc(NCCC2CCCO2)n1)C(C)c1ccccc1
SubComponent,Substitute a halo in the molecule COc1cc(F)c(N)cc1SC(C)(C)c1c(OC)ccc(F)c1F with a nitrile.,COc1cc(C#N)c(N)cc1SC(C)(C)c1c(OC)ccc(F)c1F
DelComponent,Remove a benzene ring from the molecule O=C(NC1CCCCC1)C(Sc1nnc(SC(C(=O)NC2CCCCC2)c2ccccc2)s1)c1ccccc1.,O=C(CSc1nnc(SC(C(=O)NC2CCCCC2)c2ccccc2)s1)NC1CCCCC1
LogP,Modify the molecule Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(C[NH3+])C(c2ccccc2)C1 to have a lower LogP value.,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(C[NH3+])C1
MR,Please modify the molecule Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2N)n1C to increase its MR value.,Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2c(N)cccc2-c2ccccc2)n1C
QED,Please optimize the molecule COC(=O)C([NH3+])CCC(=O)NC(CCCCNC(=O)C(F)(F)F)C(=O)NC(C)C(=O)NC(C)C(=O)OC to have a lower QED value.,COC(=O)C([NH3+])CCC(=O)NC(CCCCNC(=O)C(F)F)C(=O)NC(C)C(=O)NC(C)C(=O)OC
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Oc1ccc(CNc2cnccc2Cl)c(F)c1
BondNum,"The molecule is composed of 20 single bonds, 2 double bonds, 12 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)OCCCCCCOCC(F)(F)c1cccc(N2OCNO2)c1
FunctionalGroup,"The molecule contains 1 amide group, 2 thioether groups, and 2 sulfide groups.",Cc1ccc2c(c1)sc(=NC(=O)CSCC(=O)N1CCCC(C)C1)n2C
AddComponent,Modify the molecule CN1C(=O)C(=Cc2cccc(Cl)c2)SC2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC21 by adding a benzene ring.,CN1C(=O)C(=C(c2ccccc2)c2cccc(Cl)c2)SC2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC21
SubComponent,Modify the molecule halo by substituting a CC(OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)Nc1ccc(Cl)cc1Cl with a aldehyde.,CC(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccc(CN3CCCC3=O)cc2)c(Cl)c1
DelComponent,Modify the molecule CC(NC(=O)OCc1ccccc1)c1ccc(C(=O)[O-])cc1F by removing a halo.,CC(NC(=O)OCc1ccccc1)c1ccc(C(=O)[O-])cc1
LogP,Modify the molecule CCC(C)C(C)[NH2+]C1CCc2cc(Br)ccc2C1 to increase its LogP value.,CCC(C)C(C)[NH2+]C1CCc2cc(Br)ccc2C1c1ccccc1
MR,Optimize the molecule CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C=Cc2c(Cl)nc3ccccn23)c1 to have a higher MR value.,CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C=Cc2c(C(=O)[OH])nc3ccccn23)c1
QED,Optimize the molecule Cc1ccc(Cc2nsc(N3CC[NH+](CCNC(=O)Nc4ccccc4F)CC3)n2)cc1 to have a higher QED value.,Cc1ccc(Cc2nsc(N3CC[NH+](CCNC(=O)NF)CC3)n2)cc1
AtomNum,"There is a molecule consisting of 29 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CCOC(=O)N1C2CCC1CCC([NH+]1CCC3(CCC(NC(=O)N(C)C)c4ccccc43)CC1)CC2
BondNum,"Please generate a molecule with 10 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]Cc1c(Cl)cccc1OC(C)(C)C
FunctionalGroup,"The molecule consists of 1 amine group, 1 halo group, 1 thioether group, and 2 sulfide groups.",CSc1ccc(N)c2c(CBr)csc12
AddComponent,Please add a nitrile to the molecule CCCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1.,CCCC1CC(C#N)(n2c3ccccc3c3ccccc32)c2ccccc2N1
SubComponent,Modify the molecule halo by substituting a CCCCCCCCCC(=O)NC1C(Oc2c3cc4cc2Oc2ccc(cc2Cl)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C2NC(=O)C(NC(=O)C4NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)O3)NC(=O)C([NH3+])c3ccc(O)c(c3)Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3C(C(=O)[O-])NC2=O)CC(CO)C(O)C1O with a thiol.,CCCCCCCCCC(=O)NC1C(Oc2c3cc4cc2Oc2ccc(cc2Cl)CC2NC(=O)C([NH3+])c5ccc(O)c(c5)Oc5cc(O)cc(c5)C(NC2=O)C(=O)NC4C(=O)NC2C(=O)NC(C(=O)NC(C(=O)[O-])c4cc(O)cc(OC5OC(CO)C(O)C(O)C5O)c4-c4cc2ccc4O)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)c2ccc(c(S)c2)O3)CC(CO)C(O)C1O
DelComponent,Please remove a CCOc1ccc(S(=O)(=O)NCC(C)(O)C(=O)[O-])c2ccccc12 from the molecule hydroxyl.,CCOc1ccc(S(=O)(=O)NCC(C)C(=O)[O-])c2ccccc12
LogP,Please modify the molecule COC(=O)CCC(=O)c1cc2c(cc1Cl)CCCC2 to decrease its LogP value.,COC(=O)CCC(=O)c1ccc2c(c1)CCCC2
MR,Modify the molecule Cc1c(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC4CCCC4)c3)CC2)cccc1C(=O)Nc1ccccc1F to have a higher MR value.,Cc1c(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)[OH])c(C(=O)NC4CCCC4)c3)CC2)cccc1C(=O)Nc1ccccc1F
QED,Please optimize the molecule Cn1ccc(NC(=O)C[NH+]2CCC3(C=Cc4ccccc43)CC2)n1 to have a lower QED value.,Cn1ccc(NC(=O)C[NH+]2CCC3(C=Cc4cccc(-c5ccccc5)c43)CC2)n1
AtomNum,"There is a molecule composed of 30 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CN(C1CCC(Oc2cccnc2)CC1)N(C(=O)C1CCCCC1)c1cc(C#CC(C)(C)C)sc1C(=O)[O-]
BondNum,"The molecule has 15 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",Cn1cnnc1SCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 3 hydroxyl groups, 2 ester groups, 1 amine group, and 1 nitrile group.",CC(C)OC(=O)CC(NP(=O)(OCC1OC(n2cnc(C#N)c2O)C(O)C1O)Oc1ccccc1)C(=O)OC(C)C
AddComponent,Modify the molecule Cc1cccc(N2C(=O)c3cccc4c(N(C)CCO)ccc(c34)C2=O)c1 by adding a benzene ring.,Cc1cccc(N2C(=O)c3ccc(N(C)CCO)c4cc(-c5ccccc5)cc(c34)C2=O)c1
SubComponent,Substitute a hydroxyl in the molecule C=CC(O[Si](C(C)C)(C(C)C)C(C)C)C(C)CC(O)C(O)CO with a aldehyde.,CC(=O)C(CC(C)C(C=C)O[Si](C(C)C)(C(C)C)C(C)C)C(O)CO
DelComponent,Modify the molecule Clc1cccc(Cl)c1C=NNc1n[nH]c2c3ccccc3nc-2n1 by removing a amine.,Clc1cccc(Cl)c1C=Nc1n[nH]c2c3ccccc3nc-2n1
LogP,Modify the molecule CC1C[NH2+]CC1C[NH+]1CCN(c2nccs2)CC1 to have a lower LogP value.,O=C(O)CC1C[NH2+]CC1C[NH+]1CCN(c2nccs2)CC1
MR,Modify the molecule CC(=O)NC1C(O)OC(CO)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C1O to have a higher MR value.,CC(=O)NC1C(C#N)OC(CO)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C1O
QED,Optimize the molecule CCOc1ccc2c(c1)CC(N=C=O)C2=O to have a higher QED value.,CCOc1cc(C#N)c2c(c1)CC(N=C=O)C2=O
AtomNum,"The molecule consists of 21 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",COC(=O)CNC(=O)C1OC2(c3ccc(N)cc3)CN(c3ccccc3)CC1O2
BondNum,"There is a molecule consisting of 15 single bonds, 3 rotatable bonds, and 17 aromatic bonds.",Cc1cc(-c2nnc(N)s2)cc2c1OCCN(c1nc(N)nc(C)c1C(C)C)C2
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 2 thioether groups, and 1 sulfide group.",OC1OCCC1SCC1CCCC2CC3CCCCC3CC12
AddComponent,Please add a amine to the molecule CC(C)(C)CN1CC(C2CC[NH2+]C2)OCC1=O.,CC(C)(C)CN1CC(C2CC[NH2+]C2N)OCC1=O
SubComponent,Please substitute a Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1OCc1cccc(Cl)c1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccccc2OCc2cccc(Cl)c2)c(Cl)c1
DelComponent,Remove a amine from the molecule CCNC(Nc1ccc(OC)c(OC)c1)=[NH+]Cc1nc(C(C)(C)C)cs1.,CCNC(Cc1nc(C(C)(C)C)cs1)Nc1ccc(OC)c(OC)c1
LogP,Optimize the molecule Cc1ccc(NCCc2nc3cc(F)ccc3o2)cc1 to have a lower LogP value.,Cc1ccc(NCCc2nc3cc(F)cc(N)c3o2)cc1
MR,Please modify the molecule CCc1c([O-])nc(-c2cc(Cl)c(OC)c(OC)c2)[nH]c1=O to increase its MR value.,CC(=O)c1cc(-c2nc([O-])c(CC)c(=O)[nH]2)cc(OC)c1OC
QED,Optimize the molecule CCN(CCCCC(C)([NH3+])C(=O)OC)c1ccc(F)cc1 to have a lower QED value.,CCN(CCCCC(C)([NH3+])C(=O)OC)c1ccc(NO)cc1
AtomNum,"The molecule consists of 30 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CC(C)(CNC(=O)OC(CS(=O)(=O)Cc1ccccc1)C(=O)N1CCOCC1)CN1CC(C)(C)c2cc(F)ccc21
BondNum,"The molecule is composed of 9 single bonds, 4 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=C(C=Cc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc(Br)cc1
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, 2 amide groups, 6 amine groups, and 4 halo groups.",COC1C(CNC(=O)c2cc(Br)c(Br)[nH]2)C(CNC(=O)c2cc(Br)c(Br)[nH]2)C2C3(O)NC(N)=[NH+]C3OC3[NH+]=C(N)NC312
AddComponent,Add a benzene ring to the molecule CCC(=O)OC1CCC2(C=O)C3CCC4(C)C(C5=CC(=O)OC5)CCC4(O)C3CCC2(O)C1.,CCC(=O)OC1CCC2(C=O)C3CCC4(C)C(C5=CC(=O)OC5)CCC4(O)C3CC(c3ccccc3)C2(O)C1
SubComponent,Please substitute a hydroxyl in the molecule COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccco2)nc1C with a carboxyl.,COC(=O)c1sc(N2C(=O)C(C(=O)[OH])=C(C(=O)c3cc4ccccc4o3)C2c2ccco2)nc1C
DelComponent,Modify the molecule CCOCCOC(=N)c1c(N)cc(NC(=O)NC(c2ccccc2)C2(O)CCC2)[nH+]c1CO by removing a hydroxyl.,CCOCCOC(=N)c1c(N)cc(NC(=O)NC(c2ccccc2)C2CCC2)[nH+]c1CO
LogP,Modify the molecule CSCCC(NC(=O)N1CCCC1CCCO)C(=O)[O-] to decrease its LogP value.,CSCCC(NC(=O)N1CCCC1CCCNO)C(=O)[O-]
MR,Modify the molecule CC(O)C(=O)OC(C)C(=O)N(CC(=O)[O-])C(=O)C(CS)NC(=O)CCC([NH3+])C(=O)[O-] to decrease its MR value.,CC(O)C(=O)OC(C)C(=O)N(CC(=O)[O-])C(=O)C(C)NC(=O)CCC([NH3+])C(=O)[O-]
QED,Modify the molecule Cc1ccc2nc(CNC(=O)N3CCCC(c4nc(C(C)C)no4)C3)[nH]c2c1 to decrease its QED value.,Cc1ccc2nc(CNC(=O)N3CC(C#N)CC(c4nc(C(C)C)no4)C3)[nH]c2c1
AtomNum,"The molecule has 28 carbon atoms, 1 oxygen atom, 7 nitrogen atoms, and 1 bromine atom.",CCCCc1cn(-c2c(Br)cccc2CC)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[n-]n2)cc1
BondNum,"The molecule consists of 10 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CN(Cc1ccncc1Cl)C1CC[NH2+]C1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 nitro group.",COc1cc(C[NH2+]CC2CCC(C)C2)cc([N+](=O)[O-])c1
AddComponent,Add a benzene ring to the molecule NC(=O)C1CCCCN1c1nc(C(F)(F)F)ccc1C[NH3+].,NC(=O)C1CCCCN1c1nc(C(F)(F)F)ccc1C([NH3+])c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule CC(CCO)[NH2+]C(CN)c1ccccc1Cl with a aldehyde.,CC(=O)CCC(C)[NH2+]C(CN)c1ccccc1Cl
DelComponent,Modify the molecule halo by removing a COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCN(C)C(=O)OC1.,COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCC[NH+]1CCN(C)C(=O)OC1
LogP,Please modify the molecule CC[NH2+]C(C)CC[N+](CC)(CC)CC to decrease its LogP value.,CC[N+](CC)(CC)CCC(C)[NH2+]C(C)N
MR,Modify the molecule CCC12C=CC(Br)[NH+]3CCC4(C(=C(C(=O)OC)C1)N(Cl)c1ccc(Cl)cc14)C32 to decrease its MR value.,CCC12C=CC[NH+]3CCC4(C(=C(C(=O)OC)C1)N(Cl)c1ccc(Cl)cc14)C32
QED,Modify the molecule CC(C)C(=O)Nc1nc2c(ncn2C2OC3([SiH2]C3OC(C)(C)C)C(OC(C)(C)C)C2(O)S(=O)(=O)C(F)(F)F)c(=O)n1C1OC(CO)C(O)C1O to decrease its QED value.,CC(C)C(=O)Nc1nc2c(ncn2C2OC3([SiH2]C3OC(C)(C)C)C(OC(C)(C)CO)C2(O)S(=O)(=O)C(F)(F)F)c(=O)n1C1OC(CO)C(O)C1O
AtomNum,"There is a molecule consisting of 29 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",COc1ccc(-n2c(SCC(=O)Nc3nc(-c4c(C)cc(C)cc4C)cs3)nnc2-c2ccccc2)cc1
BondNum,"Please generate a molecule composed of 11 single bonds, 3 rotatable bonds, and 17 aromatic bonds.",Cc1nc(Nc2cccc3c2CC(O)CC3)oc1-c1ccc(Br)cn1
FunctionalGroup,"Please generate a molecule composed of 1 ketone group, and 1 ester group.",C=C1C(=O)OC2CC3(CO3)C3CCC(=O)C3(C)CC12
AddComponent,Modify the molecule CC(C)(CCCO)C[NH2+]C1CCCCC1 by adding a hydroxyl.,CC(C)(CCCO)C[NH2+]C1(O)CCCCC1
SubComponent,Modify the molecule halo by substituting a O=C([O-])c1ccc(CNS(=O)(=O)c2ccccc2Cl)o1 with a nitrile.,N#Cc1ccccc1S(=O)(=O)NCc1ccc(C(=O)[O-])o1
DelComponent,Modify the molecule benzene ring by removing a CN(C)c1ccc(ON=O)cc1.,CN(C)ON=O
LogP,Please optimize the molecule COc1cc(Cl)c(C)cc1Nc1cc(C)nc(N2CCCCC2)n1 to have a lower LogP value.,COc1cc(Cl)c(C)cc1Nc1cc(C)nc(N2CCCC(O)C2)n1
MR,Optimize the molecule O=C(CCc1cc2ccc(F)cc2[nH]c1=O)Nc1cccc(C(F)(F)F)c1 to have a higher MR value.,O=C(CCc1cc2ccc(F)cc2[nH]c1=O)Nc1cccc(C(F)(F)F)c1-c1ccccc1
QED,Please modify the molecule Cc1ccc(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3ccccc3C(=O)N3CCCC(C)C3)CC2)cc1NC(=O)c1ccccc1F to decrease its QED value.,Cc1ccc(NC(=O)CNC(=O)C2(c3ccccc3)CC[NH+](CC(=O)Nc3ccccc3C(=O)N3CCCC(C)C3)CC2)cc1NC(=O)c1ccccc1F
AtomNum,"The molecule has 19 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",[NH3+]C1(C(=O)N2CCC(CCc3ccccc3)CC2)CCCC1
BondNum,"Please generate a molecule consisting 11 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",Cc1cccc(C(C)CNS(=O)(=O)C2COC2)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amide groups, and 2 halo groups.",COCCN1C(=O)c2c([O-])c(=O)c(C(=O)NCc3ccc(F)cc3F)cn2CC12CCCOC2
AddComponent,Add a hydroxyl to the molecule [NH3+]C(OC(=O)C(F)(F)F)C(Cl)CS(=O)C(F)(F)Cl.,[NH3+]C(OC(=O)C(F)(F)F)C(O)(Cl)CS(=O)C(F)(F)Cl
SubComponent,Substitute a halo in the molecule CC(C)CN(C(=O)OC(C)N1C(=O)Cc2cc(CC[NH+]3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21)C(C)(C)CC(C)C with a nitrile.,CC(C)CN(C(=O)OC(C)N1C(=O)Cc2cc(CC[NH+]3CCN(c4nsc5ccccc45)CC3)c(C#N)cc21)C(C)(C)CC(C)C
DelComponent,Remove a Cc1cc(C(C)Nc2cccc(-c3ccc(C(=O)N(C)C(C)C(=O)[O-])c(Cl)c3)c2)cc(C)c1Cl from the molecule halo.,Cc1cc(C)cc(C(C)Nc2cccc(-c3ccc(C(=O)N(C)C(C)C(=O)[O-])c(Cl)c3)c2)c1
LogP,Optimize the molecule O=C(Cn1cnc2ccccc21)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12 to have a higher LogP value.,O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)C(c1ccccc1)n1cnc2ccccc21
MR,Please modify the molecule C[NH+]1CCC(CCNC(=O)CC(O)c2ccccc2)CC1 to increase its MR value.,C[NH+]1CCC(CCNC(=O)CC(O)(O)c2ccccc2)CC1
QED,Modify the molecule Fc1ccc(C(SCc2ccccc2)c2ccc(F)cc2)cc1 to have a higher QED value.,Fc1ccc(C(SCc2ccccc2)c2ccccc2)cc1
AtomNum,"The molecule has 6 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Nc1nnnn1CC1CCCO1
BondNum,"Please generate a molecule with 12 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",COc1ccc(S(=O)(=O)N(C)CC(C)C(=O)[O-])c(C)c1C
FunctionalGroup,"There is a molecule with 1 amine group, 1 halo group, 2 thioether groups, 1 sulfide group, and 1 sulfone group.",CSC1CCCC1NS(=O)(=O)c1cnc(Cl)nc1
AddComponent,Add a hydroxyl to the molecule CC[NH2+]C(Cc1cccnc1N)C1CC2CCC1O2.,CC[NH2+]C(C(O)c1cccnc1N)C1CC2CCC1O2
SubComponent,Modify the molecule CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)NCc2ccccc2Cl)c1 by substituting a halo with a nitro.,CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)NCc2ccccc2NO)c1
DelComponent,Please remove a CNc1cc(Cc2nc(-c3ccccc3)cs2)ncn1 from the molecule benzene ring.,CNc1cc(Cc2nccs2)ncn1
LogP,Optimize the molecule Nc1ccc(O)cc1S(=O)(=O)[O-] to have a higher LogP value.,Nc1ccccc1S(=O)(=O)[O-]
MR,Modify the molecule Cc1ccc2c(c1)N(CCCC(=O)NCc1cccc(C(F)(F)F)c1)C(=O)CO2 to increase its MR value.,Cc1ccc2c(c1)N(CCCC(=O)NCc1cccc(C(F)(F)F)c1N)C(=O)CO2
QED,Modify the molecule CC1C[NH+](C)CCCN1S(=O)(=O)CCCl to have a lower QED value.,CCS(=O)(=O)N1CCC[NH+](C)CC1C
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",Cc1csc(C(=O)N2CCCC(CCO)C2)c1Cl
BondNum,"The molecule contains 14 single bonds, 4 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC=CCOC(=O)CN1C(=O)NC(CC)(c2ccccc2)C1=O
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 1 amine group, 2 halo groups, and 1 sulfone group.",CC(C)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
AddComponent,Modify the molecule CC(C)Cc1ccnc2cc(Cl)ccc12 by adding a benzene ring.,CC(Cc1ccccc1)Cc1ccnc2cc(Cl)ccc12
SubComponent,Modify the molecule halo by substituting a CC12COC(=O)C=C1C(Cl)=CC1C2CCC2(C)C1CCC21CCCO1 with a hydroxyl.,CC12COC(=O)C=C1C(O)=CC1C2CCC2(C)C1CCC21CCCO1
DelComponent,Modify the molecule CCn1nccc1C([NH3+])c1ccc(C)c(C)c1 by removing a benzene ring.,CCC([NH3+])c1ccnn1CC
LogP,Optimize the molecule Cc1cc(NC(=O)COC(=O)c2cccn2C)no1 to have a lower LogP value.,Cc1cc(NC(=O)COC(=O)c2ccc(C(=O)O)n2C)no1
MR,Please modify the molecule COCC(C)(CCO)NC(=O)c1ccc2c(c1)CCC2 to increase its MR value.,COCC(C)(CCCl)NC(=O)c1ccc2c(c1)CCC2
QED,Please optimize the molecule Nc1cc(F)[nH+]c(OC(F)(F)F)c1I to have a lower QED value.,Nc1c(I)c(OC(F)(F)F)[nH+]c(F)c1C(=O)O
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",Cc1nc2cc(NCCC(=O)[O-])ccc2o1
BondNum,"The molecule consists of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CCCOC(=O)[NH+]=C(OCC)N1Cc2ccccc2-c2ccccc2C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 amine group.",CC[NH+]1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)NC(=O)CO5)cn4ccnc34)cc2)CC1
AddComponent,Modify the molecule CN1CC[NH+](CCNC(=O)c2c(-c3cc4cc(Cl)ccc4[nH]3)[nH]c3cc(Br)ccc23)C(c2ccccc2)C1 by adding a amine.,CN1CC[NH+](C(N)CNC(=O)c2c(-c3cc4cc(Cl)ccc4[nH]3)[nH]c3cc(Br)ccc23)C(c2ccccc2)C1
SubComponent,Substitute a C[NH2+]CC1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 in the molecule halo with a carboxyl.,C[NH2+]CC1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)[OH])CC2)C1
DelComponent,Please remove a benzene ring from the molecule COc1cc2sc(=NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)n(C)c2cc1OC.,COc1cc2sc(=NC(=O)S(=O)(=O)N3CCc4ccccc43)n(C)c2cc1OC
LogP,Modify the molecule N#CC1=COc2cc(C(=O)c3ccco3)ccc2O1 to increase its LogP value.,O=C(c1ccc2c(c1)OC=CO2)c1ccco1
MR,Optimize the molecule CC1=CC=CC=CC=CC=CCC2CC(O)CC(CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CCC(C)C(C(C)C)OC1=O)O2 to have a higher MR value.,CC(=O)C1CC2CC=CC=CC=CC=CC=C(C)C(=O)OC(C(C)C)C(C)CCC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(C1)O2
QED,Optimize the molecule Cc1ccc(C(c2ccco2)n2cncn2)cc1 to have a higher QED value.,Cc1ccc(C(c2ccc(O)o2)n2cncn2)cc1
AtomNum,"The molecule has 23 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",OC1(c2ccc(Cl)cc2)CC[NH+](Cc2ccnc(-c3ccc(F)cc3)c2)CC1
BondNum,"There is a molecule consisting of 7 single bonds, 1 double bond, 2 rotatable bonds, and 17 aromatic bonds.",COc1c(O)c(O)c2oc(-c3ccc(O)cc3)cc(=O)c2c1[O-]
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 4 amide groups, and 2 halo groups.",CCCNC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4cc(F)ccc4C)ccc3C)CC2)c1
AddComponent,Add a hydroxyl to the molecule Cc1csc2nc(C(C)NC(=O)C=CC(=O)Nc3ccccc3)oc(=O)c12.,Cc1csc2nc(C(C)NC(=O)C=CC(=O)Nc3cccc(O)c3)oc(=O)c12
SubComponent,Substitute a halo in the molecule COc1cc2nc(-c3ccc(Cl)cc3)nc(N3CCC(C(N)=O)CC3)c2cc1OC with a carboxyl.,COc1cc2nc(-c3ccc(C(=O)[OH])cc3)nc(N3CCC(C(N)=O)CC3)c2cc1OC
DelComponent,Please remove a C=C1OC(C)(C)C(C)N1c1cnn2c1CN(C(=O)Nc1ccnc(Cl)c1)C(C)C2 from the molecule halo.,C=C1OC(C)(C)C(C)N1c1cnn2c1CN(C(=O)Nc1ccncc1)C(C)C2
LogP,Modify the molecule N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(Cl)ccc1Cl to increase its LogP value.,N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(Cl)cc(-c2ccccc2)c1Cl
MR,Modify the molecule CCc1nc(Cl)c(C#N)c2c1CCCC2 to increase its MR value.,CCc1nc(Cl)c(Br)c2c1CCCC2
QED,Optimize the molecule FC(F)(CNCCCc1ccccc1)c1ccccc1 to have a lower QED value.,FC(F)(CCCCc1ccccc1)c1ccccc1
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",O=C1CC(c2ncn3ccncc23)C1
BondNum,"The molecule consists of 12 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",COc1ccc(OCC(O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 halo group.",CC1(C)C(C(=O)[O-])C1c1ccc(F)cc1
AddComponent,Please add a hydroxyl to the molecule Cc1ncsc1C(=O)Nc1ccccc1S(=O)(=O)F.,Cc1ncsc1C(=O)Nc1cc(O)ccc1S(=O)(=O)F
SubComponent,Please substitute a CCC(c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2coc(C[NH3+])c2)CC1 in the molecule halo with a thiol.,CCC(c1ccc(S)cc1F)[NH+]1CCN(C(=O)c2coc(C[NH3+])c2)CC1
DelComponent,Remove a halo from the molecule O=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)cc2)SC(=[NH+]c2ccccc2)N1CCc1c[nH]c2ccccc12.,O=C1C(=Cc2ccc(Sc3ccccc3)cc2)SC(=[NH+]c2ccccc2)N1CCc1c[nH]c2ccccc12
LogP,Optimize the molecule COc1ccc(CNc2c(-c3cc(Cl)cc(Cl)c3O)nc3ccccn23)cc1 to have a lower LogP value.,COc1ccc(CNc2c(-c3cc(C#N)cc(Cl)c3O)nc3ccccn23)cc1
MR,Optimize the molecule O=P(c1ccccc1)(c1ccccc1)c1ccc(C=C(c2ccccc2)c2cccc3ccccc23)cc1 to have a higher MR value.,O=P(c1ccccc1)(c1ccc(C=C(c2ccccc2)c2cccc3ccccc23)cc1)c1ccccc1-c1ccccc1
QED,Please optimize the molecule CC(C)(C)C(=O)C=Cc1ccc2c(c1)OC(O)(O)O2 to have a higher QED value.,CC(C)(C)C(=O)C=Cc1ccc2c(c1)OC(O)O2
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(=O)NC(CC(=O)N1C2CC[NH2+]CC1CC2)c1ccc(C)cc1
BondNum,"There is a molecule with 19 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",NC(=O)Cc1nnc2n1CCN(C1CCC(C[NH3+])(c3cccc(Cl)c3)CC1)C2=O
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 3 amide groups, and 3 halo groups.",O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2cc(Br)ccc21
AddComponent,Add a benzene ring to the molecule CC1CCCN1C(=O)N(C)c1ccc(COc2cc(F)cc(N3CCNC(=O)C3C)c2)cc1.,CC1C(=O)NCCN1c1cc(F)cc(OCc2ccc(N(C)C(=O)N3CCCC3(C)c3ccccc3)cc2)c1
SubComponent,Modify the molecule halo by substituting a CCN(C(=O)c1cc(Br)cc(Br)c1)c1ccncc1 with a thiol.,CCN(C(=O)c1cc(S)cc(Br)c1)c1ccncc1
DelComponent,Remove a benzene ring from the molecule O=C(CSc1ccccc1Cl)NC1CCN(C(=O)c2ccco2)CC1.,O=C(CSCl)NC1CCN(C(=O)c2ccco2)CC1
LogP,Optimize the molecule CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)C(C(=O)NO)C1 to have a higher LogP value.,CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)C(C(=O)NC#N)C1
MR,Please modify the molecule COCCCC(NC(=O)c1sc(C)nc1C)C(=O)[O-] to increase its MR value.,COCCCC(NC(=O)c1sc(C)nc1Cc1ccccc1)C(=O)[O-]
QED,Please optimize the molecule COc1cc(NN(C)C)c([N+](=O)[O-])cc1C(F)(F)F to have a lower QED value.,COc1cc(N(C)C)c([N+](=O)[O-])cc1C(F)(F)F
AtomNum,The molecule is composed of 16 carbon atoms.,C=C(C)C(C(C(=C)C)C(C)(C)C)C(C)(C)C
BondNum,"There is a molecule consisting of 15 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",C[NH+](C)CC1CCN(C(=O)COc2ccc(N)cc2)CC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 2 nitrile groups.",N#CCc1ccc(NC(=O)c2ccc(C#N)cn2)cc1
AddComponent,Modify the molecule O=C(NCCc1nc(-c2ccccn2)no1)c1c[nH+]c2ccccn12 by adding a amine.,Nc1ccn2c(C(=O)NCCc3nc(-c4ccccn4)no3)c[nH+]c2c1
SubComponent,Modify the molecule halo by substituting a CC(=O)C(F)=C(C)c1ccc2ccccc2c1 with a hydroxyl.,CC(=O)C(O)=C(C)c1ccc2ccccc2c1
DelComponent,Modify the molecule hydroxyl by removing a C[NH2+]C(C)c1cc(Cl)cc(C)c1O.,C[NH2+]C(C)c1cc(C)cc(Cl)c1
LogP,Please optimize the molecule CN([Si](C)(C)C)[Te](F)(F)(F)(F)F to have a lower LogP value.,CN([Si](C)(C)C)[Te](F)(F)(F)(F)NO
MR,Please modify the molecule COc1ccc(C(F)(F)F)cc1NC(=O)C(Cc1ccccc1)(C(F)(F)F)C(F)(F)F to increase its MR value.,COc1ccc(C(F)(F)F)cc1NC(=O)C(C(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F
QED,Please modify the molecule CO[Si](C)(CCCSCC(C)C(N)=O)OC to decrease its QED value.,CCSCCC[Si](C)(OC)OC
AtomNum,"Please generate a molecule with 19 carbon atoms, 5 oxygen atoms, and 5 nitrogen atoms.",COC(=O)c1ccc(NC(=O)COC(=O)Cc2c(C)nc3ncnn3c2C)cc1
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CCc1cc(C(=O)NCc2ccc(F)cc2)cc(NC)n1
FunctionalGroup,The molecule consists of and 3 hydroxyl groups.,CC1CCN(C(=O)OCCCC2OC(C)C(O)C(O)C2O)CC1
AddComponent,Please add a benzene ring to the molecule CC(C)(C)c1cc(C(c2ccccn2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.,CC(C)(C)c1cc(C(c2ccccn2)c2cc(C(C)(C)C)cc(C(C)(C)Cc3ccccc3)c2O)c(O)c(C(C)(C)C)c1
SubComponent,Modify the molecule nitrile by substituting a CC1CCC(C(C)C)C(OC(=O)[N-]C(=O)c2ccc(CC#N)cc2)C1 with a hydroxyl.,CC1CCC(C(C)C)C(OC(=O)[N-]C(=O)c2ccc(CO)cc2)C1
DelComponent,Remove a N#Cc1cncc(N2CC3(CCOCC3)C2c2ccccc2)n1 from the molecule nitrile.,c1ccc(C2N(c3cnccn3)CC23CCOCC3)cc1
LogP,Optimize the molecule NC(=[NH+]C(=O)CSC1=NC[NH+](Cc2cccnc2)CN1)c1ccc(Cl)cc1 to have a higher LogP value.,NC(=[NH+]C(=O)CSC1=NC[NH+](Cc2cncc(-c3ccccc3)c2)CN1)c1ccc(Cl)cc1
MR,Modify the molecule C[NH+]=C(NCCC(C)C)NCC(c1ccc(C)o1)[NH+]1CCCC1 to have a higher MR value.,C[NH+]=C(NCCC(C)C)NCC(c1ccc(C)o1)[NH+]1CCC(C(=O)O)C1
QED,Please optimize the molecule C[NH+](CS)CCc1ccc2nc[nH]c2c1 to have a lower QED value.,C[NH+](CS)CCc1cc(O)c2nc[nH]c2c1
AtomNum,"Please generate a molecule with 89 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",C=C(C(=CC=CC)c1ccccc1)N(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)C1c3ccc(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)cc3C3(c4ccccc4-c4ccccc43)C21)c1cccc2oc3ccccc3c12
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C(=O)N2CC(O)CC2C(N)=O)cc1OC
FunctionalGroup,Please generate a molecule consisting and 1 ester group.,O=C([O-])COC(=O)Cc1cnc[nH]1
AddComponent,Add a benzene ring to the molecule Cc1cscc1NC(=O)C1(C(=O)[O-])CC1.,Cc1cscc1NC(=O)C1(C(=O)[O-])CC1c1ccccc1
SubComponent,Substitute a halo in the molecule CCC1CN(c2cc(Cl)cc(C(F)(F)F)c2)C(C)C[NH2+]1 with a nitro.,CCC1CN(c2cc(NO)cc(C(F)(F)F)c2)C(C)C[NH2+]1
DelComponent,Please remove a benzene ring from the molecule CC(C)C(CNC(=O)c1ccc(CC([NH3+])C(=O)[O-])cc1)c1ccc(-c2cscn2)cc1.,CC(C)C(CNC(=O)CC([NH3+])C(=O)[O-])c1ccc(-c2cscn2)cc1
LogP,Please optimize the molecule CN(C(=O)C1(C)Oc2ccc(Cl)cc2NC1=O)C1CCCCC1 to have a lower LogP value.,CN(C(=O)C1(C)Oc2ccccc2NC1=O)C1CCCCC1
MR,Modify the molecule O=C(Nc1ccc(C#CCO)c(F)c1)C1CCCO1 to have a higher MR value.,CC(=O)CC#Cc1ccc(NC(=O)C2CCCO2)cc1F
QED,Please modify the molecule CC(=O)c1ccc(-c2cc(OC3CCOCC3)c3c(N)n[nH]c3c2)cc1N1CCN(C(=O)C2CC2)CC1 to decrease its QED value.,CC(=O)c1ccc(-c2cc(OC3CCOC(CC=O)C3)c3c(N)n[nH]c3c2)cc1N1CCN(C(=O)C2CC2)CC1
AtomNum,"Please generate a molecule with 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC(C)OCCCNC(=O)Nc1ccccc1F
BondNum,"Please generate a molecule composed of 12 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",COC(COc1ccc(Cl)cc1)(Cc1ncn[nH]1)C(C)(C)C
FunctionalGroup,Please generate a molecule with and 1 amide group.,CCCCN(C)C(=O)COCC[NH2+]C
AddComponent,Modify the molecule CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C by adding a benzene ring.,CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCC(CCCCCCCCCCCCC(C)C)c1ccccc1
SubComponent,Substitute a halo in the molecule CON(C)C(=O)CC(COC(=O)Nc1cc2ccccc2cn1)N(C)C(=O)NCc1ccccc1Cl with a thiol.,CON(C)C(=O)CC(COC(=O)Nc1cc2ccccc2cn1)N(C)C(=O)NCc1ccccc1S
DelComponent,Please remove a N#Cc1cccc(-n2cc[nH+]c2CC(O)C(=O)[O-])c1 from the molecule benzene ring.,N#Cn1cc[nH+]c1CC(O)C(=O)[O-]
LogP,Please modify the molecule CC(Cc1ccc(Cl)cc1)NC(=O)c1cnccc1Cl to increase its LogP value.,CC(Cc1ccc(Cl)cc1)NC(=O)c1cncc(-c2ccccc2)c1Cl
MR,Please optimize the molecule COc1cccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)C2c2ccc([N+](=O)[O-])s2)c1 to have a higher MR value.,CC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OC)c3)C2c2ccc([N+](=O)[O-])s2)c1
QED,Modify the molecule CC(C)NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 to decrease its QED value.,CC(C)NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(O)cc2Cl)c(Cl)c1
AtomNum,"The molecule consists of 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C1NC2CSC(CCCCC(O)C3C=CC=C3)C2N1
BondNum,"The molecule consists of 18 single bonds, 2 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCC(=O)[O-]
FunctionalGroup,The molecule has and 2 amide groups.,NC(=O)COCCNC(=O)C([NH3+])CC(=O)[O-]
AddComponent,Modify the molecule COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(-c2ccc(O)cc2)cc1 by adding a benzene ring.,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(-c2ccc(O)c(-c3ccccc3)c2)cc1
SubComponent,Modify the molecule halo by substituting a C[NH+](CCCC[NH3+])CCc1cccc(Br)c1 with a nitro.,C[NH+](CCCC[NH3+])CCc1cccc(NO)c1
DelComponent,Remove a benzene ring from the molecule CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1.,CC(C)(OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1
LogP,Please modify the molecule Nc1ccc(Sc2nc(-c3ccccc3)cs2)c(Cl)c1 to decrease its LogP value.,Nc1ccc(Sc2nc(-c3ccccc3)cs2)cc1
MR,Please optimize the molecule Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccc4[nH]cnc4n2)C2CCN3C2)ccn1 to have a higher MR value.,Cc1cc(-c2cc(C(=O)O)c3c(n2)N(C(=O)Nc2ccc4[nH]cnc4n2)C2CCN3C2)ccn1
QED,Modify the molecule CCC1(O)CC(C)(C)[NH+](Cc2ccccc2)C(C)(C)C1 to decrease its QED value.,CC1(C)CC(O)(CCN)CC(C)(C)[NH+]1Cc1ccccc1
AtomNum,"The molecule is composed of 11 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1(O)CCC1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)COCC=CCOc1ccc2c(c1)OCO2
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 2 amide groups, and 1 halo group.",O=C(C[NH+]1CCN(C(=O)Cc2coc(-c3ccccc3)n2)CC1)Nc1ccc(F)cc1
AddComponent,Modify the molecule CCc1cc(F)cc(CC2CCC[NH2+]2)c1 by adding a hydroxyl.,CCc1cc(F)cc(CC2CCC(O)[NH2+]2)c1
SubComponent,Modify the molecule halo by substituting a COc1ccc(NC(=O)CCNc2ccc(F)c(Cl)c2)c(OC)c1 with a carboxyl.,COc1ccc(NC(=O)CCNc2ccc(C(=O)[OH])c(Cl)c2)c(OC)c1
DelComponent,Remove a halo from the molecule OC(c1ccc(I)c(Cl)c1)c1cnnn1-c1ccccc1.,OC(c1cccc(Cl)c1)c1cnnn1-c1ccccc1
LogP,Modify the molecule CCOC(=O)CCc1ccc(N(c2ccccc2)c2c3ccccc3c(C(c3ccccc3)c3ccc(CCC(O)OCC)cc3)c3ccccc23)cc1 to have a higher LogP value.,CCOC(=O)CCc1ccc(N(c2ccccc2)c2c3ccccc3c(C(c3ccccc3)c3ccc(CCC(C#N)OCC)cc3)c3ccccc23)cc1
MR,Modify the molecule c1ccc(OCCCSCc2nc(-c3ccccc3)no2)cc1 to decrease its MR value.,OCCCSCc1nc(-c2ccccc2)no1
QED,Optimize the molecule CCC(C(=O)Nc1cc(O)c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl)S(=O)(=O)c1cccc(C)c1 to have a higher QED value.,CCC(C(=O)Nc1cc(O)c(NC(=O)c2c(F)cc(F)c(F)c2F)cc1Cl)S(=O)(=O)c1cccc(C)c1
AtomNum,"Please generate a molecule with 38 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",CCN(CC)C(=O)c1cccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCCCC4)ccc3C)CC2)c1
BondNum,"The molecule consists of 20 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccc(C)cc1
FunctionalGroup,The molecule has and 1 amide group.,NC(=O)COCCC1CCC1
AddComponent,Please add a hydroxyl to the molecule C[NH2+]Cc1ncc(-c2sccc2C)s1.,C[NH2+]Cc1ncc(-c2sc(O)cc2C)s1
SubComponent,Modify the molecule nitrile by substituting a CN(Cc1cc(F)ccc1F)c1ccccc1C#N with a carboxyl.,CN(Cc1cc(F)ccc1F)c1ccccc1C(=O)[OH]
DelComponent,Modify the molecule benzene ring by removing a c1ccc(C(=C(c2ccccc2)c2ccc(Cn3cc(C[NH+](Cc4ccccn4)Cc4ccccn4)nn3)cc2)c2ccc(Cn3cc(C[NH+](Cc4ccccn4)Cc4ccccn4)nn3)cc2)cc1.,C(=C(c1ccccc1)c1ccc(Cn2cc(C[NH+](Cc3ccccn3)Cc3ccccn3)nn2)cc1)c1ccc(Cn2cc(C[NH+](Cc3ccccn3)Cc3ccccn3)nn2)cc1
LogP,Please modify the molecule CCCCCCCCCCCCCCCC(Br)C(Br)CCCCCCCC to decrease its LogP value.,CCCCCCCCCCCCCCCC(NO)C(Br)CCCCCCCC
MR,Optimize the molecule CC(C)N=C(N[NH3+])Nc1ccc(C(F)(F)F)nc1 to have a lower MR value.,CC(C)N=C([NH3+])Nc1ccc(C(F)(F)F)nc1
QED,Modify the molecule COC(=O)CC(C(=O)c1cc(C)on1)(c1ccc(N)cc1)c1ccc[nH]1 to decrease its QED value.,COC(=O)CC(C(=O)c1cc(C)on1)(c1ccc(N)c(-c2ccccc2)c1)c1ccc[nH]1
AtomNum,"The molecule contains 16 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",C=CCC1(C(=O)NC(=O)Nc2ccc(Br)cc2)CC(C)OC1=O
BondNum,"The molecule contains 13 single bonds, 3 double bonds, 5 rotatable bonds, and 22 aromatic bonds.",COc1ccc(C2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2c2ccccc2C)cc1
FunctionalGroup,"There is a molecule composed of 2 amine groups, 1 thioether group, and 1 sulfide group.",COCCC1CSC(NC2CCCCCCC2)=[NH+]1
AddComponent,Modify the molecule COc1ccc(C(=O)OC(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1Br by adding a nitrile.,COc1ccc(C(=O)OC(C)C(=O)Nc2ccc3c(c2C#N)OCCO3)cc1Br
SubComponent,Please substitute a hydroxyl in the molecule Cc1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)NCC(O)CO)cc1 with a nitro.,Cc1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)NCC(CO)NO)cc1
DelComponent,Modify the molecule halo by removing a Clc1ccc(N2CC[NH+](Cc3cccc(Br)c3)CC2)cc1.,Brc1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1
LogP,Please optimize the molecule O=C(NCc1cc(F)ccc1F)NC(CCO)C(=O)[O-] to have a lower LogP value.,NC(NC(=O)NC(CCO)C(=O)[O-])c1cc(F)ccc1F
MR,Modify the molecule Clc1c(N=C2N[NH2+]C(C3CCCn4cc(-c5ccccc5)[nH+]c43)S2)ccc2[nH]ncc12 to have a higher MR value.,Clc1c(N=C2N[NH2+]C(C3CCCn4c3[nH+]c(-c3ccccc3)c4-c3ccccc3)S2)ccc2[nH]ncc12
QED,Modify the molecule C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)COC to have a lower QED value.,C=CCN(CC(=O)N(CF)Cc1ccco1)C(=O)COC
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCn1cc([N+](=O)[O-])cn1
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(C(=O)Nc1c(Cl)cccc1Cl)N1CCCC1=O
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 sulfide group.",COc1cccc(C(=O)Nc2nnc(CC[NH+]3CCOCC3)s2)c1
AddComponent,Modify the molecule CCCCOCCCNc1ncccc1C(=O)[O-] by adding a benzene ring.,O=C([O-])c1cccnc1NCCCOCCCCc1ccccc1
SubComponent,Substitute a Cc1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)N4CCCC(C)C4)cc3C)CC2)C(C)C)cc1NC(=O)c1ccccc1Cl in the molecule halo with a carboxyl.,Cc1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)N4CCCC(C)C4)cc3C)CC2)C(C)C)cc1NC(=O)c1ccccc1C(=O)[OH]
DelComponent,Modify the molecule amine by removing a COCCN1CC(C(CCN2CCOc3cc(N)c(C)cc32)OC)Oc2cc(N)c(C)cc21.,COCCN1CC(C(CCN2CCOc3ccc(C)cc32)OC)Oc2cc(N)c(C)cc21
LogP,Modify the molecule ClCC[NH+](Cc1ccccc1)CC1CCOC1 to have a lower LogP value.,CC[NH+](Cc1ccccc1)CC1CCOC1
MR,Optimize the molecule Nc1cc(-c2ccc(Cl)cc2Cl)cc(=O)[nH]1 to have a lower MR value.,Nc1cc(-c2ccc(Cl)cc2)cc(=O)[nH]1
QED,Modify the molecule CC1CC(C(=O)[O-])CCN1C(=O)CSc1ccc(Cl)cc1 to have a lower QED value.,CC1CC(C(=O)[O-])CCN1C(=O)CSc1ccccc1
AtomNum,"The molecule consists of 27 carbon atoms, 5 oxygen atoms, and 1 sulfur atom.",COC1SC(COCc2ccccc2)C(OCc2ccccc2)C1OC(=O)c1ccccc1
BondNum,"There is a molecule composed of 15 single bonds, 4 double bonds, 4 rotatable bonds, and 15 aromatic bonds.",COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccccc2)nc2scc(C)n12
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 thioether group, and 1 sulfide group.",c1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1
AddComponent,Modify the molecule COc1c(F)c(F)cc(C(=O)NCCC(C)C)c1F by adding a benzene ring.,COc1c(F)c(F)cc(C(=O)NCCC(C)(C)c2ccccc2)c1F
SubComponent,Please substitute a halo in the molecule COC(CN1C(=O)C(Br)CCCC12CCC2)OC with a thiol.,COC(CN1C(=O)C(S)CCCC12CCC2)OC
DelComponent,Remove a amine from the molecule CC(C)n1nccc1C(NN)c1cc(Br)ccc1I.,CC(C)n1nccc1C(N)c1cc(Br)ccc1I
LogP,Please optimize the molecule O=C(Cc1ccc(Br)cc1)NCc1nnc2ccc(-c3ccccc3)nn12 to have a lower LogP value.,O=C(Cc1ccccc1)NCc1nnc2ccc(-c3ccccc3)nn12
MR,Please modify the molecule COc1ccc(C(=O)CCCC2COC(C)(C)O2)cc1 to increase its MR value.,COc1ccc(C(=O)C(CCC2COC(C)(C)O2)C(=O)O)cc1
QED,Modify the molecule Cc1[nH]c(I)nc2nc(Cl)nc1-2 to have a higher QED value.,Cc1[nH]c(I)nc2ncnc1-2
AtomNum,"There is a molecule with 22 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",O=C(NC(=O)C1N=C(c2ccccc2)c2ccccc2NC1=O)C1CCCC1
BondNum,"There is a molecule consisting of 28 single bonds, 5 double bonds, 11 rotatable bonds, and 24 aromatic bonds.",Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(C)NC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)Nc5ccc(F)cc5)c4C)CC3)c2)cc1F
FunctionalGroup,"The molecule contains 1 hydroxyl group, and 1 amide group.",CCC1C[NH+](CC(=O)NC(C)COC)CCC1=NO
AddComponent,Modify the molecule CCc1cn2c3c(cc(C(=O)OC)cc13)N(C)S(=O)(=O)C2C by adding a thiol.,CCc1c(S)n2c3c(cc(C(=O)OC)cc13)N(C)S(=O)(=O)C2C
SubComponent,Please substitute a O=C([O-])C1CN(c2cc[nH+]c(C(F)(F)F)c2)CC1C(F)(F)F in the molecule halo with a nitro.,ONC(F)(F)c1cc(N2CC(C(=O)[O-])C(C(F)(F)F)C2)cc[nH+]1
DelComponent,Remove a amide from the molecule CC1(C)OCC([NH2+]CCNC(=O)C2CC2)CO1.,CCCC[NH2+]C1COC(C)(C)OC1
LogP,Please optimize the molecule CC[NH2+]C(Cc1ncc(Br)cc1[N+](=O)[O-])C(C)(C)C to have a lower LogP value.,CC[NH2+]C(Cc1(O[O-])ncc(Br)c-1)C(C)(C)C
MR,Please modify the molecule Cc1cc(F)cc(-c2nnc3n2CC(C[NH3+])CC3)c1 to increase its MR value.,Cc1cc(C#N)cc(-c2nnc3n2CC(C[NH3+])CC3)c1
QED,Please optimize the molecule COCCN1C(=O)CC(C(=O)NCc2cccnc2)C1c1cccc(C)c1 to have a higher QED value.,COCCN1C(=O)CC(c2cccnc2)C1c1cccc(C)c1
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",Cc1ccc(OCC(O)C[NH+](Cc2ccc(F)cc2)CC2CCCO2)c(C)c1
BondNum,"The molecule contains 18 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCC([NH3+])C2CC2)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 2 amine groups.",O=C1CC(=[NH+]Cc2ccccc2)NC(C2CC2)=[NH+]1
AddComponent,Please add a benzene ring to the molecule COc1cc(N)cc(Oc2ccc3c(c2)CCCC3)c1.,COc1cc(N)cc(Oc2ccc3c(c2)CCCC3)c1-c1ccccc1
SubComponent,Substitute a halo in the molecule Cc1cc(I)ccc1NC(=O)C[NH+](CC(=O)[O-])C1CC1 with a nitrile.,Cc1cc(C#N)ccc1NC(=O)C[NH+](CC(=O)[O-])C1CC1
DelComponent,Please remove a hydroxyl from the molecule CC1CCC(O)C(CCc2ccccn2)C1.,CC1CCCC(CCc2ccccn2)C1
LogP,Optimize the molecule Cc1c(C(=O)[O-])sc2nc(-c3ccccc3)nn12 to have a lower LogP value.,N#CCc1c(C(=O)[O-])sc2nc(-c3ccccc3)nn12
MR,Modify the molecule CC(C(=O)Nc1cccc(COCCOc2ccccc2)c1)C1C[NH2+]C1 to increase its MR value.,CC(C(=O)Nc1cccc(COCCOc2ccc(C#N)cc2)c1)C1C[NH2+]C1
QED,Modify the molecule CCCc1ccc(-c2csc(NC(=O)c3cc(OC)ccc3Br)n2)cc1 to increase its QED value.,CC(=O)c1ccc(OC)cc1C(=O)Nc1nc(-c2ccc(CCC)cc2)cs1
AtomNum,"There is a molecule composed of 21 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 fluorine atom.",CC(C)OC(=O)Nc1ccc(F)c(-c2nc3ncc(-c4ccccc4)cn3n2)c1
BondNum,"The molecule has 18 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(-n2nccn2)c(C(=O)N2CCCC2C2CC(c3cccc(Cl)c3C)NN2)c1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,CCC(=C(C)C)c1ccc(C)cc1
AddComponent,Please add a benzene ring to the molecule CN(CC1CC1)C(=O)C1(C[NH3+])CC1.,CN(CC1(c2ccccc2)CC1)C(=O)C1(C[NH3+])CC1
SubComponent,Please substitute a CC(C)(C(N)=O)C(O)c1cccc(OCc2ccccc2)c1 in the molecule hydroxyl with a thiol.,CC(C)(C(N)=O)C(S)c1cccc(OCc2ccccc2)c1
DelComponent,Please remove a halo from the molecule CCn1c(SCC(=O)c2cc(OC)c(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1.,CCn1c(SCC(=O)c2cc(OC)c(OC)c(OC)c2)nnc1-c1ccccc1
LogP,Optimize the molecule Cc1ccc(OCC2=CCC(C)OC2)c(F)c1F to have a lower LogP value.,Cc1ccc(OCC2=CCC(C)OC2)c(C#N)c1F
MR,Please optimize the molecule CCSc1ccccc1C(=O)NCC1CCN(C(=O)c2ccncc2)CC1 to have a lower MR value.,CCSC(=O)NCC1CCN(C(=O)c2ccncc2)CC1
QED,Please modify the molecule CCCCCCOc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 to decrease its QED value.,CCCCCCOc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1
AtomNum,"The molecule is composed of 9 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCC(=N)c1cccc([N+](=O)[O-])c1
BondNum,"There is a molecule consisting of 19 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)CC(=O)OOOOC(=O)C(C(C)(C)C)C(C)(C)c1ccccc1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 1 ketone group, 1 ester group, and 10 halo groups.",CCC(C)(C)Oc1ccc(C(c2ccc(OC(=O)C(F)(F)c3cccc(C(F)(F)C(=O)C(C)(C)CC)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1
AddComponent,Add a amine to the molecule CC(=O)OCC(=O)N1CCC(c2ccc3c(c2)OCO3)C1.,NCC(=O)OCC(=O)N1CCC(c2ccc3c(c2)OCO3)C1
SubComponent,Please substitute a halo in the molecule Cc1cccc(C(=O)N2CCCc3ccc(F)cc32)c1 with a aldehyde.,CC(=O)c1ccc2c(c1)N(C(=O)c1cccc(C)c1)CCC2
DelComponent,Remove a amide from the molecule COc1ccc(NC(=O)C2CCN(c3nn4cc(-c5ccc(C)cc5)[nH+]c4s3)CC2)cc1.,COc1ccc(C2CCN(c3nn4cc(-c5ccc(C)cc5)[nH+]c4s3)C2)cc1
LogP,Modify the molecule CC(NC(=O)CCC[NH3+])c1noc(-c2ccccc2)n1 to have a higher LogP value.,CC(CC[NH3+])c1noc(-c2ccccc2)n1
MR,Please modify the molecule CC(C)C(=O)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1 to increase its MR value.,CC(C)C(=O)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C(=O)[OH])c1
QED,Modify the molecule Nc1cccc2c1CCN(c1cccc(F)c1[N+](=O)[O-])C2 to decrease its QED value.,Nc1cccc2c1CCN(c1ccccc1[N+](=O)[O-])C2
AtomNum,"The molecule has 9 carbon atoms, 2 oxygen atoms, and 1 sulfur atom.",CC1CC(C)(C)CC(C)S1(=O)=O
BondNum,"There is a molecule composed of 25 single bonds, 5 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)C(C)NC(=O)C3CC[NH+](CC(=O)Nc4ccc(Cl)c(C(N)=O)c4)CC3)c2)c1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 2 amide groups, and 1 halo group.",CCN1CC[NH+](C2=C(c3ccc(F)cc3)C(=O)N(Cc3ccccc3OC)C2=O)CC1
AddComponent,Please add a benzene ring to the molecule CCC(CC)C(Oc1ccc(F)cc1)C(C)OC(=O)C(NC(=O)OC(C)(C)C)C(C)C.,CCC(CC)C(Oc1ccc(F)cc1)C(C)OC(=O)C(NC(=O)OC(C)(C)Cc1ccccc1)C(C)C
SubComponent,Substitute a O=C([O-])Cn1nc(Cl)cc1Cl in the molecule halo with a nitro.,ONc1cc(Cl)n(CC(=O)[O-])n1
DelComponent,Please remove a amide from the molecule CN(Cc1ccccc1)C(=O)C[NH+](CC(=O)[O-])C(C)(C)C.,CC(c1ccccc1)[NH+](CC(=O)[O-])C(C)(C)C
LogP,Please optimize the molecule Cc1c(C(=O)Nc2nc3ccccc3[nH]2)sc2ccc(F)cc12 to have a lower LogP value.,Cc1c(C(=O)Nc2nc3cccc(O)c3[nH]2)sc2ccc(F)cc12
MR,Modify the molecule COc1ccc(C(=O)CSCC(=O)OC(C)(C)C)cc1 to have a lower MR value.,COC(=O)CSCC(=O)OC(C)(C)C
QED,Please modify the molecule CN(c1ccccc1)c1nc2ccccc2cc1C(N)=S to decrease its QED value.,CN(c1ccccc1)c1nc2ccccc2cc1C=S
AtomNum,"The molecule is composed of 15 carbon atoms, 2 oxygen atoms, and 1 silicon atom.",CC(CO)CC(C)O[Si](C(C)C)(C(C)C)C(C)C
BondNum,"There is a molecule with 16 single bonds, 2 double bonds, and 5 rotatable bonds.",CCN(CC)C(=O)NCC(C)N1CCCCC1=O
FunctionalGroup,The molecule contains and 1 benzene ring group.,CCC[NH+]1CCc2c(c(-c3ccccc3OC)nc3ccc4ccccc4c23)C1
AddComponent,Add a hydroxyl to the molecule CN(Cc1ccccc1)S(=O)(=O)N1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1.,CN(Cc1ccccc1)S(=O)(=O)N1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1O
SubComponent,Substitute a halo in the molecule COc1cc(Br)cc2c1OC1(C)CC2NC(=S)N1C1CC1 with a nitrile.,COc1cc(C#N)cc2c1OC1(C)CC2NC(=S)N1C1CC1
DelComponent,Modify the molecule amine by removing a COc1cccc(OC)c1C(Cc1ccncc1)NN.,COc1cccc(OC)c1C(N)Cc1ccncc1
LogP,Modify the molecule NC(=[NH2+])c1ccc(CNC(=O)c2cccc(-c3ccncc3)c2)cc1 to increase its LogP value.,NC(=[NH2+])c1ccc(CNC(=O)c2cccc(-c3ccncc3)c2)c(-c2ccccc2)c1
MR,Please modify the molecule C[NH+]1CCOC(C(=O)NC(Cc2ccccc2)C(F)(F)F)C1 to increase its MR value.,C[NH+]1CCOC(C(=O)NC(Cc2ccccc2)C(F)(F)C#N)C1
QED,Optimize the molecule C[NH2+]C(C(C)O)C(O)C(O)C=O to have a lower QED value.,C[NH2+]C(C(C)O)C(O)O
AtomNum,"The molecule consists of 21 carbon atoms, 7 nitrogen atoms, and 1 sulfur atom.",CCNC(=[NH+]CCCC[NH+]1CCCC(C)C1)N1CCN(c2nc(CC)ns2)CC1
BondNum,"There is a molecule composed of 10 single bonds, 1 double bond, 7 rotatable bonds, and 5 aromatic bonds.",C=CC(C)[NH2+]Cc1cnc(N(CC)CC)s1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 halo group.",CCOc1cc(C=CC[NH2+]C(C)(C)C)cc(Cl)c1OC
AddComponent,Please add a benzene ring to the molecule CN1C(=O)CCC(C[NH3+])C1c1cnn(C)c1.,CN1C(=O)CCC(C[NH3+])C1c1cn(C)nc1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a IC1(c2ccccc2)CC(c2ccccc2)=NC(N2c3ccccc3-n3c4cccnc4c4[nH+]ccc2c43)=[NH+]1 with a aldehyde.,CC(=O)C1(c2ccccc2)CC(c2ccccc2)=NC(N2c3ccccc3-n3c4cccnc4c4[nH+]ccc2c43)=[NH+]1
DelComponent,Modify the molecule amine by removing a Cc1cn(CC(NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1NCc1nc(-c2nc3ccccc3[nH]2)cs1.,Cc1cn(CC(NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1Cc1nc(-c2nc3ccccc3[nH]2)cs1
LogP,Modify the molecule Oc1ccc(-c2nc(CC3CCOC3)no2)c(F)c1 to have a higher LogP value.,Fc1ccccc1-c1nc(CC2CCOC2)no1
MR,Please modify the molecule CCOC(=O)Oc1ncc2[nH]c3cccc(Oc4ccc(N)c(Cl)c4)c3c2c1COC to increase its MR value.,CCOC(=O)Oc1ncc2[nH]c3cccc(Oc4ccc(N)c(C(=O)[OH])c4)c3c2c1COC
QED,Please modify the molecule CC(C)(CO)S(=O)(=O)c1ccc(F)c(Cl)c1 to increase its QED value.,CC(C)(CO)S(=O)(=O)c1ccc(F)c(Cl)c1-c1ccccc1
AtomNum,"There is a molecule with 18 carbon atoms, 1 nitrogen atom, and 1 sulfur atom.",CCSC1CCC([NH2+]C2c3ccccc3CC2(C)C)C1
BondNum,"Please generate a molecule consisting 12 single bonds, 2 double bonds, 7 rotatable bonds, and 10 aromatic bonds.",C=CCN(Cc1nccs1)C(=O)C1(c2cccs2)CC1C[NH3+]
FunctionalGroup,The molecule is composed of and 7 hydroxyl groups.,OCC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
AddComponent,Modify the molecule O=C(C[NH+]1CCCC(O)C1)Nc1cc(C(F)(F)F)ccc1Cl by adding a nitrile.,N#CC1CCC(O)C[NH+]1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
SubComponent,Please substitute a halo in the molecule O=S1(=O)N=C(COCc2ccccc2)c2ccccc2N1Cc1cc(Cl)c(Cl)c(Cl)c1Cl with a hydroxyl.,O=S1(=O)N=C(COCc2ccccc2)c2ccccc2N1Cc1cc(O)c(Cl)c(Cl)c1Cl
DelComponent,Remove a halo from the molecule CCC1(C(=O)Cc2ccc(Br)cc2)CCC[NH2+]C1.,CCC1(C(=O)Cc2ccccc2)CCC[NH2+]C1
LogP,Optimize the molecule CCOC(=O)NCC[NH+]1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCCC3)CC1 to have a lower LogP value.,CCOC(=O)NCC[NH+]1CCC(NC(=O)c2ccc(N)c3c2OCCC3)CC1
MR,Modify the molecule N#CC1COC(O)C2CC=CCC12 to have a lower MR value.,OC1OCCC2CC=CCC21
QED,Please modify the molecule CCOc1ncccc1C1(NC(=O)N2CCC3(CC2)C[NH+](C2CC[NH2+]CC2)C3)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21 to decrease its QED value.,CCOc1ncccc1C1(NC(=O)N2CCC3(C[NH+](C4CC[NH2+]CC4)C3)C(CC=O)C2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21
AtomNum,"There is a molecule consisting of 18 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",COc1cc(NC(=O)COC(=O)CNC(=O)CCC(C)C)c(OC)cc1Cl
BondNum,"There is a molecule consisting of 27 single bonds, 1 double bond, and 4 rotatable bonds.",COCC1C=C2CCC3C(CCC4(C)C(COC)CCC34)C2(C)CC1
FunctionalGroup,There is a molecule consisting of and 1 amide group.,C=C(C)C([NH2+]C(C)CC)C(N)=O
AddComponent,Please add a hydroxyl to the molecule Cc1c(C)c(C)c(C(=O)C2CCN(C(=O)C3CC(=O)OC3(C)C)CC2)c(C)c1C.,Cc1c(C)c(CO)c(C)c(C(=O)C2CCN(C(=O)C3CC(=O)OC3(C)C)CC2)c1C
SubComponent,Substitute a OCC(CO)(CCOCc1ccccc1)Cc1ccc(Br)cc1 in the molecule halo with a hydroxyl.,OCC(CO)(CCOCc1ccccc1)Cc1ccc(O)cc1
DelComponent,Please remove a benzene ring from the molecule O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[NH+](Cc2ccc(Br)s2)CC1.,O=C(C[NH+]1CCOCC1)N1CC[NH+](Cc2ccc(Br)s2)CC1
LogP,Modify the molecule O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)N1CCCCCC1 to have a higher LogP value.,O=C(CC12CCC(CC1=O)C2)N1CCCCCC1
MR,Modify the molecule CCNc1ccc(C(=O)N(C)CC2CC2C)nc1 to decrease its MR value.,CCc1ccc(C(=O)N(C)CC2CC2C)nc1
QED,Modify the molecule CCC1(C)CC([NH2+]CC2CCCN2C(=O)OC(C)(C)C)CCO1 to decrease its QED value.,CCC1(C)CC([NH2+]CC2CCCN2C(=O)OC(C)(C)CC(=O)O)CCO1
AtomNum,"There is a molecule with 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",CC(=O)N(CC(=O)N(C)Cc1ccccc1)c1ccc(C)c(Br)c1
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",Cn1ccn(-c2cccc(C3CCC[NH2+]3)c2)c1=O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 ester groups, 2 amide groups, 1 nitro group, 1 thioether group, and 1 thiol group.",COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)OC)[NH+](C)Cc1ccccc1[N+](=O)[O-]
AddComponent,Modify the molecule CCCC(C[NH2+]C)N1CCC(CC)CC1 by adding a carboxyl.,CCC1CCN(C(CCCC(=O)O)C[NH2+]C)CC1
SubComponent,Modify the molecule halo by substituting a Fc1ccc(NCc2ccc3ncccc3c2)c(F)c1F with a nitro.,ONc1ccc(NCc2ccc3ncccc3c2)c(F)c1F
DelComponent,Remove a O=C(COc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 from the molecule halo.,O=C(COc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1Br)Nc1ccc(Cl)cc1
LogP,Please optimize the molecule C#CCn1c(=NC(=O)COc2ccccc2C)sc2cc(CC)ccc21 to have a lower LogP value.,C#CCn1c(=NC(=O)COC)sc2cc(CC)ccc21
MR,Optimize the molecule COc1ccc(CNC(=O)NNc2ncc(C)n(CC(=O)NCc3ccc(C)nc3C)c2=O)cc1 to have a lower MR value.,COCNC(=O)NNc1ncc(C)n(CC(=O)NCc2ccc(C)nc2C)c1=O
QED,Please modify the molecule CC(CNC(=O)c1ccccc1COc1ccccc1)CC(=O)[O-] to decrease its QED value.,CC(CC(=O)[O-])Cc1(COc2ccccc2)cccc-1
AtomNum,"There is a molecule consisting of 24 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 3 fluorine atoms.",CN(C)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(=O)NCCC[NH+]1CCOCC1
BondNum,"The molecule contains 19 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",NC(=[NH+]Cc1ccccc1N1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1
FunctionalGroup,"The molecule contains 1 hydroxyl group, 2 thioether groups, and 1 sulfide group.",CCCC1C[NH+](CCSCCCO)C1
AddComponent,Modify the molecule Fc1ccc(OCC2CC(F)(F)C2)cn1 by adding a hydroxyl.,OC(Oc1ccc(F)nc1)C1CC(F)(F)C1
SubComponent,Please substitute a halo in the molecule Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCSCc1ccc(Cl)cc1 with a hydroxyl.,Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCSCc1ccc(O)cc1
DelComponent,Remove a CCCCCCCCCCCCCCCCSCC(CO)OC1CCCCC1 from the molecule hydroxyl.,CCCCCCCCCCCCCCCCSCC(C)OC1CCCCC1
LogP,Modify the molecule CCONC(C(=O)NC(C(=O)[NH+]=C(N)c1ccccc1)c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 to decrease its LogP value.,CCONC(C(=O)NC(C(=O)[NH+]=C(N)c1ccccc1)c1cccc(Cl)c1)c1cccc(Cl)c1
MR,Modify the molecule CCOP(=O)(CC)OC1c2ccccc2C=Cc2ccccc21 to have a higher MR value.,CCOP(=O)(CC)OC1c2ccccc2C=Cc2cc(C(=O)O)ccc21
QED,Please optimize the molecule Clc1ccc(NC2CCCc3ccccc32)cn1 to have a lower QED value.,Clc1ccc(NC2CCCc3c(-c4ccccc4)cccc32)cn1
AtomNum,"There is a molecule with 29 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O
BondNum,"The molecule has 8 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",O=S(=O)(NCc1cccs1)c1ccc2c(c1)CCC2
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 sulfone group.",CCN(CC)c1cc(S(=O)(=O)[O-])c(N=Nc2nc3ccc(C(C)C)cc3o2)cc1OC
AddComponent,Modify the molecule O=C([O-])CCCNC(=O)C(C(F)(F)F)C(F)(F)F by adding a nitrile.,N#CC(CNC(=O)C(C(F)(F)F)C(F)(F)F)CC(=O)[O-]
SubComponent,Substitute a halo in the molecule O=C(NC1CCC1c1ccc(Cl)cc1)c1cccnc1C(F)(F)F with a aldehyde.,CC(=O)c1ccc(C2CCC2NC(=O)c2cccnc2C(F)(F)F)cc1
DelComponent,Modify the molecule halo by removing a Cn1c2nc3ccc(Cl)cc3c-2cc2ccccc21.,Cn1c2nc3ccccc3c-2cc2ccccc21
LogP,Please optimize the molecule CCCCCCOC(=O)C=Nc1nc(Br)nc(Br)n1 to have a lower LogP value.,CCCCCCOC(=O)C=Nc1ncnc(Br)n1
MR,Modify the molecule CCN(C(=O)CSc1nnc(CS(=O)(=O)c2ccc(C)cc2)n1C)c1ccccc1 to have a higher MR value.,CCN(C(=O)CSc1nnc(CS(=O)(=O)c2ccc(C)c(C(=O)O)c2)n1C)c1ccccc1
QED,Please optimize the molecule CCC(=NC1CCCCC1)C(CNc1ncc(C)cc1C(=O)OC(C)C)OC to have a lower QED value.,CCC(=NC1CCCCC1)C(Cc1ncc(C)cc1C(=O)OC(C)C)OC
AtomNum,"The molecule contains 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 chlorine atoms.",COC(=O)c1ccccc1NCc1ccc(Cl)nc1Cl
BondNum,"The molecule contains 13 single bonds, 2 double bonds, 10 rotatable bonds, and 23 aromatic bonds.",Cn1cnc(CCNC(=O)Cn2c(-c3ccccc3)c(Cl)nc(NCCc3ccccc3)c2=O)c1
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,CC=Cc1ccc(CCCCn2cnc3ccccc32)cc1
AddComponent,Add a hydroxyl to the molecule O=C1CCCC=C1C(O)c1ccccc1I.,O=C1CCCC=C1C(O)c1ccc(O)cc1I
SubComponent,Substitute a O=C(NCCCn1cnc2ccccc21)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F in the molecule halo with a thiol.,O=C(NCCCn1cnc2ccccc21)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1S
DelComponent,Remove a CCCCC(NC(=O)OC1CC(C)(C)C[NH+]1Cc1ccccc1)C(O)C(=O)NC(C)c1ccccc1 from the molecule amide.,CCCCC(NC(=O)OC1CC(C)(C)C[NH+]1Cc1ccccc1)C(C)(O)c1ccccc1
LogP,Optimize the molecule O=C(C[NH+]1CCN(Cc2cccc(F)c2)CC1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 to have a higher LogP value.,Fc1cccc(CN2CC[NH+](c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2)c1
MR,Please optimize the molecule CCOc1cccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)cc2)c1 to have a lower MR value.,CCOc1cccc(C2C(C(=O)CC(C)C)=CC(=O)N2c2ccc(C)cc2)c1
QED,Modify the molecule Cc1cc(C)cc(NCCC(=O)Nc2ccc(C)c(Cl)c2)c1 to have a lower QED value.,Cc1cc(C)cc(NCCC(=O)Nc2ccc(C)c(S)c2)c1
AtomNum,"The molecule contains 36 carbon atoms, 10 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(CCC(OC(=O)C2CCCCN2S(=O)(=O)c2ccc(Oc3ccccc3)nc2)c2cccc(OCC(=O)[O-])c2)cc1OC
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",COC(=O)c1nc(C)sc1-c1cccc(NC(C)=O)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 5 halo groups.",FC(F)(F)c1ccc(-n2nncc2CCl)c(Cl)c1
AddComponent,Add a hydroxyl to the molecule CC[NH+](CCNc1c(C)cccc1C(N)=S)C1CC1.,CC[NH+](CCNc1c(C)cccc1C(N)=S)C1CC1O
SubComponent,Please substitute a CCC(C)(CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F in the molecule halo with a hydroxyl.,CCC(C)(CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1O
DelComponent,Please remove a hydroxyl from the molecule OC1(c2ccc3c(c2)OCC3)CC1.,c1cc2c(cc1C1CC1)OCC2
LogP,Please optimize the molecule [NH3+]C(CO)c1noc(-c2cccc3ccccc23)n1 to have a higher LogP value.,[NH3+]C(CO)c1noc(-c2cccc3cccc(-c4ccccc4)c23)n1
MR,Modify the molecule N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C=Cc1ccccc1F to have a lower MR value.,O=C(COC(=O)C=Cc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1
QED,Please optimize the molecule Cc1cc(C(=O)N2CC(C)CC2C)ncc1C#N to have a lower QED value.,Cc1cC2(C)CC(C)Cn2cc1C#N
AtomNum,"There is a molecule composed of 42 carbon atoms, 10 oxygen atoms, 6 nitrogen atoms, and 1 phosphorus atom.",COc1ccc(C(OCC2OC(n3cc(C)c(=O)[nH]c3=O)C(OCC(=O)NCC[NH+](C)C)C2OP(OCCC#N)N(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
BondNum,"The molecule consists of 13 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",Cc1nc(CC(=O)[O-])c(C[NH+]2CCCCC2C)s1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, and 3 halo groups.",C=CCCCNc1cc(Br)c(F)cc1F
AddComponent,Please add a benzene ring to the molecule CC(C)(C)[Si](C)(C)OC1CC=C(OS(=O)(=O)C(F)(F)F)C2COC12.,CC(C)(Cc1ccccc1)[Si](C)(C)OC1CC=C(OS(=O)(=O)C(F)(F)F)C2COC12
SubComponent,Substitute a halo in the molecule CCc1noc(C)c1NC(=O)NCC(O)c1c(F)cccc1F with a thiol.,CCc1noc(C)c1NC(=O)NCC(O)c1c(F)cccc1S
DelComponent,Modify the molecule CC1CCN(C(C[NH3+])c2cnn(C)c2)C1CO by removing a hydroxyl.,CC1CCN(C(C[NH3+])c2cnn(C)c2)C1C
LogP,Please optimize the molecule Cn1ccc(C(=O)c2ccc(Br)s2)c1 to have a lower LogP value.,Cn1ccc(C(=O)c2ccc(C#N)s2)c1
MR,Modify the molecule Fc1c(Cl)cccc1COCC1CC(c2ccc(C[NH+]3CCCC3)cc2)C1 to have a higher MR value.,Oc1cc(C[NH+]2CCCC2)ccc1C1CC(COCc2cccc(Cl)c2F)C1
QED,Please modify the molecule CCNc1nc(=S)nc(N(C2CCCCC2)C2CCCCC2)[nH]1 to increase its QED value.,CCc1nc(=S)nc(N(C2CCCCC2)C2CCCCC2)[nH]1
AtomNum,"The molecule has 18 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1nn(C(=O)c2ccccc2)c(C)c1Oc1ccccc1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 4 rotatable bonds, and 20 aromatic bonds.",CCOc1ccc(Cc2[nH]c3c(c4c5ccccc5nc2-4)C(=O)CC(C)(C)C3)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 ketone group.",Cc1cccc(C)c1-n1nc(C)c(C(=O)C(=O)[O-])c1C
AddComponent,Please add a amine to the molecule O=C(CC1CC2CCC1C2)NCCc1nc(=O)o[nH]1.,NC(CNC(=O)CC1CC2CCC1C2)c1nc(=O)o[nH]1
SubComponent,Substitute a halo in the molecule O=C([O-])N1CCN(c2nc(-c3nc4ccc(CF)cc4[nH]3)no2)CC1 with a aldehyde.,CC(=O)Cc1ccc2nc(-c3noc(N4CCN(C(=O)[O-])CC4)n3)[nH]c2c1
DelComponent,Please remove a benzene ring from the molecule COC(=O)C1=CC2CCC3OC(C)(C)OC3C2N(C(=O)OCc2ccccc2)C1.,COC(=O)C1=CC2CCC3OC(C)(C)OC3C2N(C(=O)OC)C1
LogP,Please optimize the molecule C=C1NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C(c2ccc(Cl)c(Cl)c2)C1C(=O)OC to have a lower LogP value.,C=C1NC2=C(C(=O)CC(c3ccccc3)C2)C(c2ccc(Cl)c(Cl)c2)C1C(=O)OC
MR,Please optimize the molecule NNC(=O)COc1ccc(C=Cc2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 to have a lower MR value.,NOc1ccc(C=Cc2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1
QED,Modify the molecule C=CC(=O)N(C)c1ccc(-c2ccc(-c3ccc(CCCCC)cc3)cc2F)cc1 to have a higher QED value.,C=CC(=O)N(C)c1ccc(-c2ccc(-c3ccc(CCCCC)cc3)cc2O)cc1
AtomNum,"The molecule consists of 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",COc1ccc(C)cc1N1CC(C)(C)[NH2+]C(C)(C)C1
BondNum,"Please generate a molecule with 13 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COC(=O)CCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 2 amine groups.",CCC(Nc1cc(N)ccc1C(N)=O)c1ncc[nH]1
AddComponent,Add a hydroxyl to the molecule CCCCCCCCCCCCCCCCCCCCCCC(CC)[NH2+]C(O)CC.,CCC(O)[NH2+]C(CC)CCCCCCCCCCCCCCCCCCCCC(C)O
SubComponent,Please substitute a halo in the molecule CN1CCC(NC(=O)C[NH+](C)Cc2ccc(F)cc2)C1=O with a nitrile.,CN1CCC(NC(=O)C[NH+](C)Cc2ccc(C#N)cc2)C1=O
DelComponent,Remove a CCc1ccccc1CC1CN(C)c2cc(O)ccc2O1 from the molecule hydroxyl.,CCc1ccccc1CC1CN(C)c2ccccc2O1
LogP,Optimize the molecule CCn1c(C[NH3+])nnc1SCc1ccc(Cl)c(F)c1 to have a lower LogP value.,CCn1c(C[NH3+])nnc1SCc1ccc(Cl)cc1
MR,Optimize the molecule Cc1ccsc1C1CNCC1C#N to have a lower MR value.,Cc1ccsc1C1CCC1C#N
QED,Optimize the molecule CCCCCN(C(=O)Nc1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1 to have a lower QED value.,CCCCCN(C(=O)Nc1c(C)cccc1C(=O)O)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
AtomNum,"The molecule is composed of 11 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",C=C(CNc1cccc(C)c1Cl)C(=O)[O-]
BondNum,"There is a molecule composed of 19 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",Clc1ccc(COC(Cn2ccnc2)C23CC4CC(CC(C4)C2)C3)cc1
FunctionalGroup,The molecule contains and 2 amide groups.,CCC(C)C(NC(=O)OC)C(=O)N(C(C)CC)C(C)c1[nH]c(-c2ccc3c(c2)COc2cc4c(ccc5[nH]c(C(C)N6C(=O)C(NC(=O)OC)C7CCOCC7CC6CC)nc54)cc2-3)c[nH+]1
AddComponent,Add a hydroxyl to the molecule CN(c1nn2c(I)c[nH+]c2s1)C1CCN(C(=O)OC(C)(C)C)CC1.,CN(c1nn2c(I)c(O)[nH+]c2s1)C1CCN(C(=O)OC(C)(C)C)CC1
SubComponent,Please substitute a Cc1ccc(C(=O)Nc2cc(C(=O)NC3CCCCC3[NH3+])ccc2C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 in the molecule halo with a carboxyl.,Cc1ccc(C(=O)Nc2cc(C(=O)NC3CCCCC3[NH3+])ccc2C[NH+]2CCN(c3ccc(C(=O)[OH])cc3)CC2)cc1
DelComponent,Modify the molecule aldehyde by removing a CC(c1ccccc1)[NH+](Cc1ccccc1)C(C=O)c1ccccc1.,CC(c1ccccc1)[NH+](Cc1ccccc1)c1ccccc1
LogP,Please modify the molecule Cc1ccc(OCc2nc(CC(=O)NC3CCN(C(=O)C(C)C)CC3)cs2)cc1 to decrease its LogP value.,Cc1ccc(OCc2nc(CC(=O)NC3CCN(C(=O)C(C)C)CC3)cs2)c(O)c1
MR,Please optimize the molecule O=C([O-])c1cc(N2CCC3(CC2)C(O)CC3OCCO)cc[nH+]1 to have a higher MR value.,ONC1CC(OCCO)C12CCN(c1cc[nH+]c(C(=O)[O-])c1)CC2
QED,Please modify the molecule CC[n+]1c(N)cc(SCC2(C(=O)O)CSC3C(NC(=O)C(=NOC)c4csc(N)n4)C(=O)N3C2)nc1N to increase its QED value.,CC[n+]1c(N)cc(SCC2(C(=O)O)CSCN(C(=O)C(=NOC)c3csc(N)n3)C2)nc1N
AtomNum,"The molecule consists of 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",C[NH2+]C(Cc1nc(C)c(C)s1)c1cc(C)ccc1OC
BondNum,"There is a molecule composed of 20 single bonds, 2 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",CCOc1cc(C2=C(O)C(=O)N(c3cccc(C)c3)C2c2cc(OC)c(OC)c(OC)c2)ccc1OC
FunctionalGroup,The molecule contains and 1 ester group.,CCOC(=O)c1ccc2c(c1)nc(C(C)(C)C)n2C
AddComponent,Add a benzene ring to the molecule CCOc1ccc(NC(NCCCc2cc3c(OC)cc(OC)cc3[nH]2)=[NH+]C)cc1OC.,CCOc1ccc(NC(NCCCc2cc3c(OC)c(-c4ccccc4)c(OC)cc3[nH]2)=[NH+]C)cc1OC
SubComponent,Substitute a hydroxyl in the molecule C=CCC(O)C=CC(CCCC)O[Si](C)(C)C(C)(C)C with a nitrile.,C=CCC(C#N)C=CC(CCCC)O[Si](C)(C)C(C)(C)C
DelComponent,Please remove a CC1COc2cc(Br)ccc2NC1=O from the molecule halo.,CC1COc2ccccc2NC1=O
LogP,Modify the molecule Cc1cccc(C)c1OCCNC(=O)c1ccccc1F to have a lower LogP value.,Cc1cccc(C)c1OCCNC(=O)c1ccccc1C#N
MR,Modify the molecule Cc1nc(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)[nH+]c2C)c(-c2ccc(OC3CCCCC3)nc2)o1 to decrease its MR value.,Cc1nc(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cc(C(F)F)[nH+]c2C)c(-c2ccc(OC3CCCCC3)nc2)o1
QED,Modify the molecule C=Cc1cccc(C(C(=O)NC(Cc2ccccc2)C(=O)OC(C)(C)C)N(CCCCC)C(=O)C(Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)c1 to decrease its QED value.,C=Cc1cccc(C(C(=O)NC(Cc2ccccc2)C(=O)OC(C)(C)C)N(CC(S)CCC)C(=O)C(Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)c1
AtomNum,"There is a molecule composed of 50 carbon atoms, 9 oxygen atoms, and 9 nitrogen atoms.",CCCCCCCCCCCCCCCCCC(=O)NCN(CO)c1nc(N(CO)COCC[NH+](CO)CO)nc([N+](CO)(CO)CNC(=O)CCCCCCCCCCCCCCCCC)n1
BondNum,"There is a molecule consisting of 13 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCCC1CC(Nc2cc(C)ccc2F)CCO1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 halo group, and 1 sulfide group.",Clc1ccc(-c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1
AddComponent,Please add a benzene ring to the molecule CCOCCC(=O)N1CCC(OCC[NH3+])CC1.,CCOCCC(=O)N1CCC(OCC[NH3+])C(c2ccccc2)C1
SubComponent,Modify the molecule C=C(C)OC(C(=O)OC)c1c(C)nc(Cl)c(C)c1Cl by substituting a halo with a nitrile.,C=C(C)OC(C(=O)OC)c1c(C)nc(C#N)c(C)c1Cl
DelComponent,Remove a Cc1ccc(C)c(C(C)[NH2+]C2CC(C)OC(C)C2)c1 from the molecule benzene ring.,CCC(C)[NH2+]C1CC(C)OC(C)C1
LogP,Please optimize the molecule CCC(NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(OC)cc1 to have a lower LogP value.,CCC(NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2N)c1)c1ccc(OC)cc1
MR,Please modify the molecule Cc1nc(NCCc2ccccc2F)cc(Nc2ccccc2C)n1 to increase its MR value.,Cc1nc(NCCc2ccccc2)cc(Nc2ccccc2C)n1
QED,Please modify the molecule COc1cc(C#N)ccc1C1c2[nH]c3cccc(F)c3c2C2(CC2)CN1C(C)=O to increase its QED value.,COC1(C#N)c2[nH]c3cccc(F)c3c2C2(CC2)CN1C(C)=O
AtomNum,"There is a molecule composed of 24 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 2 chlorine atoms.",O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)C1C=CCC1C(c1ccccc1F)N2
BondNum,"The molecule contains 4 single bonds, 1 triple bond, 1 rotatable bond, and 11 aromatic bonds.",N#Cc1c(Cl)noc1-c1cccc(O)c1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 amide group, 1 nitro group, and 1 halo group.",COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2Cl)cc1
AddComponent,Modify the molecule CCCC(=O)OCC(=O)C1(OC(C)=O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C by adding a hydroxyl.,CCC(O)C(=O)OCC(=O)C1(OC(C)=O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C
SubComponent,Please substitute a halo in the molecule O=C(c1ccc(Cl)s1)N1CCCC(S(=O)(=O)c2ccc(F)cc2)C1 with a nitro.,ONc1ccc(C(=O)N2CCCC(S(=O)(=O)c3ccc(F)cc3)C2)s1
DelComponent,Modify the molecule CC(Nc1snc2ccccc12)C1CC2CCC1C2 by removing a amine.,CC(c1snc2ccccc12)C1CC2CCC1C2
LogP,Please modify the molecule Cn1c(C2CCCN(S(C)(=O)=O)C2)nn(CC(=O)NCc2ccccc2Cl)c1=O to decrease its LogP value.,CC(=O)c1ccccc1CNC(=O)Cn1nc(C2CCCN(S(C)(=O)=O)C2)n(C)c1=O
MR,Please modify the molecule CC(NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)C12CC3CC(CC(C3)C1)C2 to increase its MR value.,CC(NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)C12CC3CC(C1)C(CC=O)C(C3)C2
QED,Modify the molecule CC1CN(c2ccc(Cl)cc2)C(c2ccccc2)C[NH2+]1 to have a higher QED value.,CC1CN(c2ccc(C#N)cc2)C(c2ccccc2)C[NH2+]1
AtomNum,"The molecule consists of 15 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",Nc1ccc(CCC(=O)N2CCC(CC(=O)[O-])C2)cc1
BondNum,"The molecule contains 14 single bonds, 1 double bond, 11 rotatable bonds, and 6 aromatic bonds.",CCOc1cc(NCCCCCCSC)cc([N+](=O)[O-])c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 ketone group, and 1 halo group.",O=C([O-])c1cccc(F)c1C(=O)c1ccccc1
AddComponent,Modify the molecule CCCCCC[NH+]1CCC(Cn2cc(CCCO)nn2)CC1 by adding a benzene ring.,CCCCCC[NH+]1CCC(Cn2cc(CCCO)nn2)C(c2ccccc2)C1
SubComponent,Please substitute a halo in the molecule O=C(c1ccco1)N1CCC(N2C(=O)C(Oc3cccc(Cl)c3)C2c2ccc(Cl)s2)CC1 with a aldehyde.,CC(=O)c1cccc(OC2C(=O)N(C3CCN(C(=O)c4ccco4)CC3)C2c2ccc(Cl)s2)c1
DelComponent,Modify the molecule halo by removing a Nc1c(C(=O)[O-])cc(I)c2sccc12.,Nc1c(C(=O)[O-])ccc2sccc12
LogP,Optimize the molecule CC(C)(Nc1nnc(Cl)c2ccccc12)C1CC1 to have a lower LogP value.,CC(C)(Nc1nnc(C#N)c2ccccc12)C1CC1
MR,Optimize the molecule Cc1cccc(COc2ccc(C[NH3+])c(Cl)c2)c1 to have a higher MR value.,Cc1cccc(C(Oc2ccc(C[NH3+])c(Cl)c2)C(=O)O)c1
QED,Modify the molecule Cn1ccnc1COc1ccc(C(=O)NCCSC2CCCC2)cc1 to decrease its QED value.,Cn1ccnc1COc1ccc(C(=O)NCCSC2CCC(N)C2)cc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 sulfur atom.",CC([NH3+])Cc1c(Sc2nccc(=O)[nH]2)nc2ccccn12
BondNum,"There is a molecule consisting of 7 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(OCc2[nH]c(C[NH3+])c[nH+]2)cc1C
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 amide groups, 1 halo group, and 1 sulfide group.",Cc1ccc(Cc2cnc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)s2)cc1Cl
AddComponent,Modify the molecule CC1(C)CCCCCCCCC([NH3+])CC1 by adding a aldehyde.,CC1(C)CCC([NH3+])CCCCCCC(CC=O)C1
SubComponent,Please substitute a hydroxyl in the molecule CC(=O)NC1C(OC(C)C([NH3+])C(=O)NC(C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)[O-])C(C)C)C(C)C)C(C)C)C(C)C)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O with a halo.,CC(=O)NC1C(OC(C)C([NH3+])C(=O)NC(C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)[O-])C(C)C)C(C)C)C(C)C)C(C)C)OC(CCl)C(O)C1OC1OC(CO)C(O)C(O)C1O
DelComponent,Please remove a benzene ring from the molecule CCNC(=O)C1CC[NH+](CN(C(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c2ccccc2)CC1.,CCNC(=O)C1CC[NH+](CNC(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1
LogP,Optimize the molecule C[N+]1(Cc2ccccc2O)C=C[NH+]=C1Cc1ncc[nH]1 to have a lower LogP value.,C[N+]1(CO)C=C[NH+]=C1Cc1ncc[nH]1
MR,Modify the molecule NC(=[NH+]OCc1ccc(Cl)c(Cl)c1)c1cccc(C[NH+]2CCOCC2)c1 to have a lower MR value.,NC(=[NH+]OCc1ccc(Cl)cc1)c1cccc(C[NH+]2CCOCC2)c1
QED,Modify the molecule CS(=O)(=O)N1CCCC(NC(=O)Nc2cccc(F)c2)C1 to decrease its QED value.,CS(=O)(=O)N1CCCC(NC(=O)Nc2cccc(O)c2)C1
AtomNum,"The molecule consists of 11 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",O=C1Cc2cc3ccccc3n2C1
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",O=C([O-])CC([NH2+]Cc1ccc2c(c1)CCC2)C(=O)[O-]
FunctionalGroup,Please generate a molecule with and 1 halo group.,CC(C)C1COCCN1c1nc(-c2ccncc2F)cc(=O)n1C
AddComponent,Modify the molecule Cc1nn(-c2ccccc2)c(C)c1C(=O)C(C)C by adding a carboxyl.,Cc1nn(-c2cccc(C(=O)O)c2)c(C)c1C(=O)C(C)C
SubComponent,Modify the molecule hydroxyl by substituting a CN(CCC(=O)NCCOCCO)c1ncnc2sc(-c3ccccc3)cc12 with a halo.,CN(CCC(=O)NCCOCCCl)c1ncnc2sc(-c3ccccc3)cc12
DelComponent,Modify the molecule CCCCc1ccc(S(=O)Cc2cc(=O)[nH][nH]2)cc1 by removing a benzene ring.,CCCCS(=O)Cc1cc(=O)[nH][nH]1
LogP,Modify the molecule CC(=O)Nc1nc(C(Br)Br)c([N+](=O)[O-])s1 to have a lower LogP value.,CC(=O)Nc1nc(C(Br)C#N)c([N+](=O)[O-])s1
MR,Optimize the molecule COc1ccc(C(=O)[O-])cc1OCc1noc(C2CC2)n1 to have a higher MR value.,COc1ccc(C(=O)[O-])cc1OC(O)c1noc(C2CC2)n1
QED,Please optimize the molecule O=S(=O)(NCCc1csc2nc(-c3cccs3)nn12)c1c(F)cccc1F to have a lower QED value.,O=C([OH])c1cccc(F)c1S(=O)(=O)NCCc1csc2nc(-c3cccs3)nn12
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC(=O)c1ccc2[nH]c(-c3cccc(N)c3)cc2c1
BondNum,"There is a molecule consisting of 12 single bonds, 3 double bonds, 8 rotatable bonds, and 23 aromatic bonds.",O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NC(=O)c1ccc(OC(F)F)cc1
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 halo group.",C[NH+](CCNC(=O)c1cc(Cl)c2ccccc2n1)C1CC1
AddComponent,Modify the molecule O=Cc1cc(-c2cc(F)cc(Cl)c2)ccc1O by adding a benzene ring.,O=Cc1cc(-c2cc(F)cc(Cl)c2)c(-c2ccccc2)cc1O
SubComponent,Substitute a nitrile in the molecule CC(=O)N1CCC2C(C)(C)C(=O)C(C#N)=CC2(c2ccccc2)C1 with a carboxyl.,CC(=O)N1CCC2C(C)(C)C(=O)C(C(=O)[OH])=CC2(c2ccccc2)C1
DelComponent,Modify the molecule amine by removing a Nc1cc(F)ccc1NC(=O)COCc1cccc(Br)c1.,O=C(COCc1cccc(Br)c1)Nc1ccc(F)cc1
LogP,Please modify the molecule N#CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)C1CCCC[NH2+]1 to increase its LogP value.,CC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)C1CCCC[NH2+]1
MR,Please optimize the molecule CC(C)CC(CCC(=O)N(C)C)C(=O)[O-] to have a lower MR value.,CCCC(CC(C)C)C(=O)[O-]
QED,Optimize the molecule CC(C)=CCC[P+](=O)c1ccccc1 to have a lower QED value.,CC(C)=CCC[P+]=O
AtomNum,"There is a molecule composed of 5 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",BrN1NC=C(C2CC2)S1
BondNum,"The molecule has 5 single bonds, 4 rotatable bonds, and 16 aromatic bonds.",Cc1cccc(NCCn2nnc3ccccc32)c1
FunctionalGroup,"The molecule has 3 benzene ring groups, 1 amide group, and 1 halo group.",Cc1c(CN2Cn3c(cc4cccc(Cl)c43)C2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
AddComponent,Please add a aldehyde to the molecule OC1(c2cc(F)ccc2N2CCOCC2)CC1.,O=CCC1CN(c2ccc(F)cc2C2(O)CC2)CCO1
SubComponent,Please substitute a CCCCCCCCC(=O)C=CCCC(C)C(C)CCO in the molecule hydroxyl with a carboxyl.,CCCCCCCCC(=O)C=CCCC(C)C(C)CCC(=O)[OH]
DelComponent,Remove a amine from the molecule COc1cc(-c2nnc(N)nc2N)cc(OC)c1OC.,COc1cc(-c2nncnc2N)cc(OC)c1OC
LogP,Please modify the molecule [NH3+]C(c1ccc(OC(F)(F)F)cc1)c1cnccn1 to decrease its LogP value.,[NH3+]C(c1ccc(OC(F)(F)F)cc1)c1nccnc1CC=O
MR,Optimize the molecule N#CCC[Se]C(=[Se])N1CCCCC1 to have a lower MR value.,CC[Se]C(=[Se])N1CCCCC1
QED,Modify the molecule O=[N+]([O-])c1cc(Br)cc(Oc2nc(Cl)c(CO)s2)c1 to decrease its QED value.,Cc1sc(Oc2cc(Br)cc([N+](=O)[O-])c2)nc1Cl
AtomNum,"There is a molecule with 22 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",COC(=O)Cn1c(=NC(=O)Cc2c(C)cc(C)cc2C)sc2cc(S(C)(=O)=O)ccc21
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",O=C(Nc1ccccc1O)N1CCCCC1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 halo groups, and 1 sulfone group.",CN(Cc1cc(Br)n(S(=O)(=O)c2ccc(F)cc2)c1)C(=O)OC(C)(C)C
AddComponent,Add a hydroxyl to the molecule CCOc1cc(Cc2cnc(N)nc2N)cc(OCC2CCC2)c1-c1ccc2c(c1)OCO2.,CCOc1cc(Cc2cnc(N)nc2N)cc(OCC2CCC2)c1-c1ccc2c(c1O)OCO2
SubComponent,Please substitute a CN(CC1C[NH2+]CCO1)C(=O)c1cccc(Br)c1 in the molecule halo with a nitrile.,CN(CC1C[NH2+]CCO1)C(=O)c1cccc(C#N)c1
DelComponent,Modify the molecule amine by removing a C[NH+]=C(NCc1ccc(NC(=O)c2ccco2)cc1)NCc1ccc(C)s1.,C[NH+]=C(Cc1ccc(C)s1)NCc1ccc(NC(=O)c2ccco2)cc1
LogP,Please modify the molecule Cc1ccc(-n2c(CCC(=O)NCC3CCCO3)nc3ccccc3c2=O)cc1 to increase its LogP value.,Cc1ccc(-n2c(CCC3CCCO3)nc3ccccc3c2=O)cc1
MR,Please optimize the molecule Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(O)cc1)N(Cc1ccccc1)C3=O to have a lower MR value.,Cc1cc2oc3c(c(=O)c2cc1C)C(O)N(Cc1ccccc1)C3=O
QED,Please optimize the molecule O=C(OCCCCCCO)c1ccc(-c2ccccc2)cc1 to have a lower QED value.,O=C(OCCCCCCO)c1ccccc1
AtomNum,"The molecule is composed of 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",C[NH2+]Cc1cncc(-c2c(C)cc(C)cc2OC)c1
BondNum,"There is a molecule with 3 single bonds, 2 rotatable bonds, and 16 aromatic bonds.",Brc1ccccc1Cn1ncc2ccccc21
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, and 2 amide groups.",CCCCCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccc(OC)cc1)c1ccccc1O
AddComponent,Add a hydroxyl to the molecule CCC[NH2+]C(COCC)Cc1c(Br)c(C)nn1C.,CCC[NH2+]C(COCC)Cc1c(Br)c(CO)nn1C
SubComponent,Substitute a halo in the molecule CC[NH2+]C(CCc1c(F)ccc(C)c1F)C(C)C with a nitrile.,CC[NH2+]C(CCc1c(C#N)ccc(C)c1F)C(C)C
DelComponent,Please remove a amine from the molecule Nc1ccc(Cl)cc1OCCc1ccc2c(c1)CCO2.,Clc1cccc(OCCc2ccc3c(c2)CCO3)c1
LogP,Modify the molecule C=C(C)C(=O)OCCSc1ccc(Cl)cc1 to increase its LogP value.,C=C(C)C(=O)OCCSc1ccc(Cl)c(-c2ccccc2)c1
MR,Modify the molecule COC(=O)C(=O)Nc1c(Oc2ccc(C)cc2)cncc1SC(=S)N(C)C to decrease its MR value.,COC(=O)C(=O)Nc1c(OC)cncc1SC(=S)N(C)C
QED,Please modify the molecule O=S(=O)(c1cnc[nH]1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 to decrease its QED value.,O=S(=O)(c1cnc[nH]1)N1CCN(c2cc(N3CCCC3)ncn2)CC1O
AtomNum,"Please generate a molecule with 22 carbon atoms, 3 oxygen atoms, 7 nitrogen atoms, and 3 fluorine atoms.",O=C(c1ccc2c(c1)-c1[nH+]c(-c3n[nH]c(CC(F)(F)F)n3)cn1CCO2)N1CC[NH+](CCO)CC1
BondNum,"The molecule consists of 16 single bonds, 8 rotatable bonds, and 72 aromatic bonds.",c1ccc(-c2ccc(CC(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccc(-c6ccccc6)cc5-c5ccccc5-c5ccccc5-c5ccc(-c6ccccc6)cc53)c3ccccc3-4)cc2)cc1
FunctionalGroup,Please generate a molecule with and 2 amide groups.,COCC[NH2+]CC(=O)N1CCCC1C(N)=O
AddComponent,Please add a hydroxyl to the molecule Cc1ccc([O-])c(S(=O)(=O)N2CCN(C(=O)CN3CCCCCCC3=O)CC2)c1.,Cc1ccc([O-])c(S(=O)(=O)N2CCN(C(=O)CN3CCCCCCC3=O)C(O)C2)c1
SubComponent,Modify the molecule halo by substituting a O=C(NCc1nccn1CC(F)(F)F)NC1CCC2(CCCCC2)CC1 with a aldehyde.,CC(=O)C(F)(F)Cn1ccnc1CNC(=O)NC1CCC2(CCCCC2)CC1
DelComponent,Remove a O=C(NCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccsc1 from the molecule halo.,O=C(NCC[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccsc1
LogP,Modify the molecule O=S1(=O)C=CC(NC(=S)Oc2ccccc2Br)C1 to have a higher LogP value.,O=S1(=O)C=CC(NC(=S)Oc2c(Br)cccc2-c2ccccc2)C1
MR,Optimize the molecule CN(C)c1nc(Cl)nc(SC(N)=[NH2+])n1 to have a higher MR value.,CN(C)c1nc(SC(N)=[NH2+])nc(C(=O)[OH])n1
QED,Please optimize the molecule CC(C)(C)C(=O)N(CCC(=O)[O-])C1CCCCC1 to have a higher QED value.,CC(C)(C)C(=O)N(CCC(=O)[O-])C1CCCC(O)C1
AtomNum,"Please generate a molecule with 8 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CC(C)CSCC1=[NH+]CC(=O)N1
BondNum,"The molecule contains 10 single bonds, 4 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC[O+]=C(C)O[Ge](=C1C=C[CH-]C=C1)c1ccccc1
FunctionalGroup,The molecule contains and 1 hydroxyl group.,CC1OCCC1(C)n1c(CO)n[nH]c1=S
AddComponent,Add a hydroxyl to the molecule CC(=O)N1CCN(C(=O)c2ccnc(NCc3ccccc3C)n2)CC1.,CC(=O)N1CCN(C(=O)c2ccnc(NCc3ccccc3C)n2)CC1O
SubComponent,Modify the molecule COc1ccc(C=C2[NH+]=C(SCC(C)C#N)N(c3cc(C)cc(C)c3)C2=O)cc1 by substituting a nitrile with a nitro.,COc1ccc(C=C2[NH+]=C(SCC(C)NO)N(c3cc(C)cc(C)c3)C2=O)cc1
DelComponent,Please remove a halo from the molecule CC[NH+](Cc1nc(Cl)ccc1Cl)CC1CC1.,CC[NH+](Cc1ncccc1Cl)CC1CC1
LogP,Modify the molecule CCc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)cc2)cc1 to decrease its LogP value.,CCc1ccc(OCc2ccc(-c3nc4c5sc6nc(CF)cc(C)c6c5ncn4n3)cc2)cc1
MR,Please modify the molecule Cc1ccc(C(=O)NCC(=O)OCC(=O)NC2(C#N)CCCCC2)cc1C to decrease its MR value.,Cc1ccc(C(=O)NCC(=O)OCC(=O)NC2(O)CCCCC2)cc1C
QED,Modify the molecule CCC(CC[NH3+])[NH+]1CCCN(CCC(=O)NC(C)C)CC1 to decrease its QED value.,CCC(CC[NH3+])[NH+]1CCN(CCC(=O)NC(C)C)CCC1C(=O)O
AtomNum,"There is a molecule consisting of 22 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",Cc1ccc(Sc2cc(NC(=O)Cn3nc(C(F)F)cc3C3CC3)cc([N+](=O)[O-])c2)cc1
BondNum,"The molecule is composed of 15 single bonds, 1 double bond, 1 rotatable bond, and 5 aromatic bonds.",Cc1ncc(C(=O)N2CCC3C(CCC[NH+]3C)C2)s1
FunctionalGroup,"The molecule has 1 benzene ring group, and 3 halo groups.",CC[NH2+]C(c1cccc(C(F)(F)F)c1)C1CC1C
AddComponent,Add a hydroxyl to the molecule CCOC(=O)C(C)(C)C(=O)C[NH+]1CCN(C)C(=O)C1.,CCOC(=O)C(C)(C)C(=O)C(O)[NH+]1CCN(C)C(=O)C1
SubComponent,Modify the molecule Nc1ccc(C=CC(=O)NCc2cc3cc(-c4ccc(C(=O)N5CCC(C(F)(F)F)CC5)cc4)cc(C(F)(F)F)c3o2)cn1 by substituting a halo with a nitrile.,N#CC(F)(F)C1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)c4oc(CNC(=O)C=Cc5ccc(N)nc5)cc4c3)cc2)CC1
DelComponent,Please remove a CCCCc1nc2ccc(NC(=O)OC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 from the molecule benzene ring.,CCCCc1nc2ccc(NC(=O)OC3CCCCC3)cc2n1Cc1ccccc1C(=O)[O-]
LogP,Please modify the molecule CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] to increase its LogP value.,CCc1cc(C(=O)[O-])ccc1[N+](=O)[O-]
MR,Optimize the molecule Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NC(CO)CO)n1 to have a higher MR value.,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NC(CO)CC#N)n1
QED,Optimize the molecule COC(=O)c1cc(OCC2CCOC2)ccc1N to have a higher QED value.,COC(=O)c1cccc(OCC2CCOC2)c1
AtomNum,"There is a molecule with 19 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 2 sulfur atoms, and 2 chlorine atoms.",O=C([O-])c1csc(CSc2nnc(-c3ccccc3Cl)n2-c2cccc(Cl)c2)n1
BondNum,"The molecule consists of 22 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1cc(C2Nc3ccc(C(=O)N4CCCC4)cc3C3C=CCC32)cc(OC)c1OC
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, 1 halo group, and 1 sulfide group.",Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)cc12
AddComponent,Add a benzene ring to the molecule Cc1cc(-c2csc(NC(=O)Cc3csc(-c4cccnc4)n3)n2)c(C)n1CCc1ccccc1.,Cc1cc(-c2csc(NC(=O)Cc3csc(-c4cccnc4-c4ccccc4)n3)n2)c(C)n1CCc1ccccc1
SubComponent,Substitute a halo in the molecule CCOc1ccc(CNc2c(F)cccc2Cl)cc1OC with a nitro.,CCOc1ccc(CNc2c(Cl)cccc2NO)cc1OC
DelComponent,Please remove a Cc1cccc(CN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)C(C)C(=O)NC2CCCC2)c1 from the molecule amide.,Cc1cccc(CN(CC2CCCC2)C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1
LogP,Modify the molecule CCCC1CCC(C[NH3+])C(c2cncc(OC)c2)C1 to increase its LogP value.,COc1cncc(C2CC(CCCc3ccccc3)CCC2C[NH3+])c1
MR,Optimize the molecule CCCCCCCCCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CO)C(=O)NC(CO)C(N)=O to have a higher MR value.,CCCCCCCCCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CNO)C(=O)NC(CO)C(N)=O
QED,Optimize the molecule N#Cc1ccc(NCC(=O)N2CCOCC2C2CCCO2)nc1 to have a lower QED value.,N#Cc1ccc(CC(=O)N2CCOCC2C2CCCO2)nc1
AtomNum,"The molecule contains 10 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",Nc1ccc(Br)c(S(=O)(=O)NC2C=CS(=O)(=O)C2)c1
BondNum,"There is a molecule consisting of 15 single bonds, 3 double bonds, 1 rotatable bond, and 6 aromatic bonds.",O=C(Nc1ccc2c(c1)CCCC2)N1CCCS(=O)(=O)CC1
FunctionalGroup,"There is a molecule consisting of 2 amide groups, 1 thioether group, and 1 sulfide group.",CSc1nc(-c2ccco2)nc(C)c1C(=O)NNC(=O)c1cc(C)oc1C
AddComponent,Modify the molecule CCC[NH+]1CCCC1c1cccnc1N(C)C by adding a nitrile.,CCC[NH+]1CCCC1c1c(C#N)ccnc1N(C)C
SubComponent,Please substitute a O=C(Nc1nccc2sncc12)N1CC[NH+](Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 in the molecule halo with a carboxyl.,O=C(Nc1nccc2sncc12)N1CC[NH+](Cc2cccc(Oc3cccc(C(F)(F)C(=O)[OH])c3)c2)CC1
DelComponent,Remove a Cc1oc(C)c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1Br from the molecule benzene ring.,Cc1oc(C)c(C(=O)NN=Nc2ccccc2)c1Br
LogP,Optimize the molecule CC(C)CCOc1ccc(C2(C)Nc3ccccc3C(=O)N2CC2CCCO2)cc1 to have a lower LogP value.,CC(C)CCOc1ccc(C2(C)Nc3cccc(O)c3C(=O)N2CC2CCCO2)cc1
MR,Modify the molecule Cc1cccc(NC(=O)c2c[nH]ccc2=O)c1Br to have a lower MR value.,Cc1cccc(NC(=O)c2c[nH]ccc2=O)c1NO
QED,Please modify the molecule COC(=O)CCC(NS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] to increase its QED value.,COC(=O)CCC(C(=O)[O-])S(=O)(=O)c1ccc(Cl)s1
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",O=C(Nc1ncccc1OCc1ccncc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
BondNum,"The molecule consists of 14 single bonds, 10 rotatable bonds, and 5 aromatic bonds.",CCCC(C)(CCc1cnn(C)c1)C[NH2+]CCOC
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, and 1 sulfone group.",CCN(c1cc(Nc2ccccc2)nc(C)n1)C1CCS(=O)(=O)C1
AddComponent,Please add a carboxyl to the molecule CC(C)(CCC[NH+](Cc1ccsc1)C1CC1)C(N)=S.,CC(C)(CCC[NH+](Cc1ccsc1C(=O)O)C1CC1)C(N)=S
SubComponent,Please substitute a halo in the molecule [NH3+]CCN1C(=O)SC(=Cc2ccccc2F)C1=O with a hydroxyl.,[NH3+]CCN1C(=O)SC(=Cc2ccccc2O)C1=O
DelComponent,Remove a benzene ring from the molecule CN(CCC[NH+](C)C)S(=O)(=O)c1cc(F)ccc1CO.,CN(CCC[NH+](C)C)S(=O)(=O)C(O)F
LogP,Modify the molecule Cc1cc(C)nc(Nc2ccc(Cl)cc2)c1 to decrease its LogP value.,Cc1cc(C)nc(Nc2ccc(O)cc2)c1
MR,Modify the molecule CC(NC(=O)N(CC(N)=O)CC(=O)[O-])c1ccsc1 to decrease its MR value.,CC(NC(=O)NCC(=O)[O-])c1ccsc1
QED,Please modify the molecule CC(C)[NH2+]C(C)(CO)CC[NH+](C)CC1CCCOC1 to decrease its QED value.,CC(C)[NH2+]C(C)(CC[NH+](C)CC1CCCOC1)C(O)O
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 chlorine atom.",C[NH+]=C(NCc1ccc(Cl)nc1)NC1CCN(c2ccccc2OC)C1
BondNum,"The molecule consists of 17 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CCNC(NC1CC[NH+](C(C)C)CC1)=[NH+]Cc1ccc(Cl)nc1
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, and 1 amide group.",COCCN(CCO)C(=O)C1CCCC1C(=O)[O-]
AddComponent,Modify the molecule CC(NC(=O)NC(C(=O)[O-])C(C)(C)C)c1cn[nH]c1 by adding a hydroxyl.,CC(O)(NC(=O)NC(C(=O)[O-])C(C)(C)C)c1cn[nH]c1
SubComponent,Substitute a halo in the molecule O=C(NCCNC(=O)C1Cc2cc(F)ccc2S1)c1ccc(OC2CCC(C(=O)[O-])CC2)cc1 with a nitro.,ONc1ccc2c(c1)CC(C(=O)NCCNC(=O)c1ccc(OC3CCC(C(=O)[O-])CC3)cc1)S2
DelComponent,Please remove a benzene ring from the molecule CCNC(NCCOc1ccccc1)=[NH+]Cc1ccc(F)c(COC)c1.,CCNC(NCCO)=[NH+]Cc1ccc(F)c(COC)c1
LogP,Modify the molecule Cc1ccc(C(=O)N2CC[NH2+]CC23CCCCC3)c(C)c1 to increase its LogP value.,Cc1cc2C3(CCCCC3)C[NH2+]CCc-2(C)c1
MR,Modify the molecule Cc1noc(CCNc2cc3[nH]cnc(=O)c3cc2N)n1 to increase its MR value.,Cc1noc(CC(O)Nc2cc3[nH]cnc(=O)c3cc2N)n1
QED,Please modify the molecule C[NH2+]C(C)(CO)CN1CCC2(CCCCC2)C1 to decrease its QED value.,C[NH2+]C(C)(CNO)CN1CCC2(CCCCC2)C1
AtomNum,"The molecule contains 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1cc(CNC(C)CS(C)=O)ccc1C#N
BondNum,"Please generate a molecule with 24 single bonds, 1 double bond, 7 rotatable bonds, and 18 aromatic bonds.",COc1ccc(CN2C(=O)CCc3c(CCC4(O)CCN(c5c(F)cc(Cl)cc5F)CC4)ccc(F)c32)cc1
FunctionalGroup,"The molecule has 2 amine groups, 2 thioether groups, 2 sulfide groups, and 1 sulfone group.",C=CCSCCNc1ncc(S(N)(=O)=O)s1
AddComponent,Add a benzene ring to the molecule Cc1cccn(CCNC2CCS(=O)(=O)C2)c1=O.,Cc1cccn(CC(NC2CCS(=O)(=O)C2)c2ccccc2)c1=O
SubComponent,Modify the molecule nitrile by substituting a CC(=O)N1CC(C)(C)c2ccc(C#N)cc21 with a hydroxyl.,CC(=O)N1CC(C)(C)c2ccc(O)cc21
DelComponent,Modify the molecule amide by removing a COc1ccc(NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)cc1Cl.,COc1ccc(-c2coc3ccc(C(C)(C)C)cc23)cc1Cl
LogP,Optimize the molecule COC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)Nc2ccccc2OC)c1C to have a higher LogP value.,COC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)Nc2cccc(-c3ccccc3)c2OC)c1C
MR,Modify the molecule C#Cc1cccc(NC(C)c2cc(Cl)ccc2Cl)c1 to have a higher MR value.,C#Cc1cccc(NC(C)c2cc(NO)ccc2Cl)c1
QED,Please optimize the molecule COc1ccc(-c2csc(NC(=O)C(C)Sc3nccn3C)n2)cc1 to have a higher QED value.,COc1csc(NC(=O)C(C)Sc2nccn2C)n1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC1CCC(C#N)(c2nncs2)CC1
BondNum,"The molecule has 7 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=S(=O)(CCc1ccccc1)NCc1ccc(Br)cc1
FunctionalGroup,There is a molecule with and 1 halo group.,[NH3+]CCC1CCC[NH+](Cc2cnc(Cl)cn2)C1
AddComponent,Please add a hydroxyl to the molecule CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Nc2cccc(OC)c2)ccc1N1CCCCC1.,CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Nc2cccc(OC)c2)ccc1N1CCCCC1O
SubComponent,Please substitute a halo in the molecule COC(=O)CC(c1cc(F)c(F)c(F)c1)c1c([O-])cc(=O)c2c([O-])cc(-c3ccccc3)oc1-2 with a nitrile.,COC(=O)CC(c1cc(F)c(F)c(C#N)c1)c1c([O-])cc(=O)c2c([O-])cc(-c3ccccc3)oc1-2
DelComponent,Remove a Cn1cc(CCCI)c2cc(Cl)ccc21 from the molecule halo.,CCCc1cn(C)c2ccc(Cl)cc12
LogP,Modify the molecule COCCn1nnnc1C1([NH+](C)C)CCN(C(=O)c2cc(Cl)ccc2OC)C1 to have a higher LogP value.,COCCn1nnnc1C1([NH+](C)C)CCC1c1(OC)ccc(Cl)c-1
MR,Modify the molecule CC(Sc1nn[n-]n1)C1CCN(C(=O)Oc2ccc(NC(=S)NC(C)(C)C)cn2)CC1 to have a lower MR value.,CC(Sc1nn[n-]n1)C1CCN(C(=O)Oc2ccc(C(=S)NC(C)(C)C)cn2)CC1
QED,Modify the molecule Cc1ccsc1C(=O)C1CCC(O)CC1 to increase its QED value.,Cc1ccsc1C(=O)C1CCC(C(=O)[OH])CC1
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 4 nitrogen atoms, and 1 fluorine atom.",N#Cc1cc(N)nn1-c1cccc(F)c1
BondNum,"The molecule contains 10 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCOc1ccc(C(C)=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 2 halo groups.",[NH3+]CCCN(C(=O)Cc1ccc(F)c(F)c1)C1CCCC1
AddComponent,Modify the molecule CCN(CCC[NH2+]C(C)c1ccoc1)S(C)(=O)=O by adding a benzene ring.,CCN(CCC([NH2+]C(C)c1ccoc1)c1ccccc1)S(C)(=O)=O
SubComponent,Modify the molecule O=C(c1ccc2c(c1)C1C=CCC1C(c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCCC1 by substituting a halo with a hydroxyl.,O=C(c1ccc2c(c1)C1C=CCC1C(c1cc([N+](=O)[O-])ccc1O)N2)N1CCCC1
DelComponent,Please remove a COC(=O)c1ccc(CN(C)C(=O)NCc2ccc(OC)cc2)cc1 from the molecule benzene ring.,COC(=O)CN(C)C(=O)NCc1ccc(OC)cc1
LogP,Modify the molecule CC[NH2+]C1(C(=O)[O-])CCN2CCCC21 to increase its LogP value.,CC[NH2+]C1(C(=O)[O-])CCN2CC(c3ccccc3)CC21
MR,Please modify the molecule CC(O)c1cc(Cl)ccc1OC1CS(=O)(=O)CC1O to decrease its MR value.,CC(O)c1ccccc1OC1CS(=O)(=O)CC1O
QED,Optimize the molecule O=C(Cc1ccc(Cl)cc1)NNC(=O)Cc1cnn(-c2ccccc2)c1 to have a lower QED value.,N#Cc1ccc(CC(=O)NNC(=O)Cc2cnn(-c3ccccc3)c2)cc1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC(Oc1ccc(C#N)cc1)C(=O)N1CCC(c2ccc(O)cc2)CC1
BondNum,"The molecule is composed of 13 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC(C)c1ccc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCO3)cc1
FunctionalGroup,"The molecule has 1 ketone group, 1 halo group, and 1 sulfide group.",O=C(Cc1ccc(Br)s1)C12CC3CC(CC(C3)C1)C2
AddComponent,Please add a benzene ring to the molecule COC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C(NC(C)=O)OCCOCCNC(=O)C(Cc1ccc(OP(OCCC#N)N(C(C)C)C(C)C)cc1)[NH+](CC(=O)NCCOCCOCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O)CC(=O)NCCOCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O.,COC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C(NC(C)=O)OCCOCCNC(=O)C(Cc1ccc(OP(OCCC#N)N(C(C)C)C(C)C)cc1)[NH+](CC(=O)NCCOCCOCCOC1OC(COC(C)=O)C(OC(C)=O)(c2ccccc2)C(OC(C)=O)C1NC(C)=O)CC(=O)NCCOCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O
SubComponent,Substitute a halo in the molecule O=C([O-])c1nc(Br)c(CCl)cc1OC(F)(F)F with a thiol.,O=C([O-])c1nc(S)c(CCl)cc1OC(F)(F)F
DelComponent,Modify the molecule amide by removing a COc1ccc(CCN(C)C(=O)c2ccc3c(c2)CCC(=O)N3)cc1.,COc1ccc(CCN(C)C(=O)c2ccc3c(c2)C3)cc1
LogP,Modify the molecule CCOc1cccc2c(CBr)c(Br)sc12 to decrease its LogP value.,CCOc1cccc2c(CBr)csc12
MR,Optimize the molecule CCc1noc(C(C)[NH+]2CCN(C(=O)C(C)C3CCOCC3)CC2)n1 to have a lower MR value.,CCc1noc(C(C)[NH+]2CC(C)C(C3CCOCC3)C2)n1
QED,Please optimize the molecule N#Cc1ccc(C(=O)C[NH+]2CCn3ccnc3C2)cc1 to have a lower QED value.,N#Cc1ccc(C(=O)C[NH+]2Cc3nccn3CC2O)cc1
AtomNum,"Please generate a molecule with 16 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 2 fluorine atoms.",CC(C)C1CCC(Nc2ccc(SC(F)F)cc2)CC1
BondNum,"The molecule has 12 single bonds, 2 double bonds, 9 rotatable bonds, and 16 aromatic bonds.",COCCNc1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1[N+](=O)[O-]
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,Cc1ccc2oc(=O)n(Cc3noc(C(=O)NC4CCCCC4)n3)c2c1
AddComponent,Please add a aldehyde to the molecule CC=Cc1ccc(OCCCCn2c(CNC(=O)c3ccc(C)cc3C)nc3ccccc32)c(OC)c1.,CC=Cc1ccc(OCCCCn2c(CNC(=O)c3ccc(CCC=O)cc3C)nc3ccccc32)c(OC)c1
SubComponent,Substitute a O=C([O-])C1CCCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 in the molecule halo with a nitrile.,N#CC(F)(F)c1c[nH]c(=O)c(NC(=O)C2CCCC(C(=O)[O-])C2)c1
DelComponent,Remove a C=CC[NH+](CC=C)Cc1cccc(OCC)c1OCC#N from the molecule nitrile.,C=CC[NH+](CC=C)Cc1cccc(OCC)c1OC
LogP,Please optimize the molecule O=C1NC2(CCS(=O)(=O)CC2)C(=O)N1C1CCC2CCCC2C1 to have a lower LogP value.,O=C1NC2(CCS(=O)(=O)CC2O)C(=O)N1C1CCC2CCCC2C1
MR,Modify the molecule COc1cc(C)nc(-c2ccc(Cl)cc2Cl)c1 to increase its MR value.,COc1cc(C)nc(-c2ccc(C(=O)[OH])cc2Cl)c1
QED,Optimize the molecule CC(C)NC(=O)c1cnn(Cc2ccccc2)c1C(F)(F)F to have a lower QED value.,CC(C)NC(=O)c1cnn(C)c1C(F)(F)F
AtomNum,"There is a molecule consisting of 19 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cc1cc(C[NH+]2CCN(C(=O)c3cc(C)n(C(C)C4CC4)n3)CC2)on1
BondNum,"There is a molecule with 4 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",Fc1ccccc1-c1ccncc1CCl
FunctionalGroup,There is a molecule with and 1 sulfone group.,CS(=O)(=O)c1ccc2c(c1)CCN2c1cc(OC2CCN(C(=O)OCC3CCC3)CC2)ncn1
AddComponent,Add a benzene ring to the molecule COc1ccc(-c2cc(C(C[NH3+])c3ccc(C)c(C)c3)[nH]n2)cc1.,Cc1ccc(C(C[NH3+])c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1C
SubComponent,Substitute a halo in the molecule Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c(C(=O)[O-])c2)cc1 with a nitrile.,Cc1nc(C(F)(F)C#N)ccc1C(=O)Nc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c(C(=O)[O-])c2)cc1
DelComponent,Remove a halo from the molecule CC(=O)c1cn(CC(=O)N2C(OC(=O)NCc3cccc(Cl)c3F)CC3CC32)c2nc(C#N)ccc12.,CC(=O)c1cn(CC(=O)N2C(OC(=O)NCc3ccccc3F)CC3CC32)c2nc(C#N)ccc12
LogP,Please optimize the molecule COc1cccc(F)c1C(=O)c1ccc(N(C)C=O)cc1 to have a lower LogP value.,COc1cccc(F)c1C(=O)N(C)C=O
MR,Please optimize the molecule CC(NC(=O)C(C)(C)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CC2)cc1 to have a higher MR value.,CC(NC(=O)C(C)(C)c1ccc(C(=O)[OH])cc1)c1ccc(NC(=O)C2CC2)cc1
QED,Modify the molecule OCCCc1cc(Cl)cc(Br)c1 to increase its QED value.,O=C(O)C(O)CCc1cc(Cl)cc(Br)c1
AtomNum,"The molecule is composed of 21 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCCCn1c(=O)c(C(=O)Nc2cccc(OC)c2)c([O-])c2ccccc21
BondNum,"There is a molecule composed of 10 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Cc1noc(COc2ccc(C(=O)[O-])cc2C(F)(F)F)n1
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,Cc1cc(C(=O)NN=Cc2c(C)[nH]c3ccccc23)n(-c2nc(=O)c(C)n[nH]2)n1
AddComponent,Please add a nitrile to the molecule CNC(=O)CNC(=O)CSc1nnc(Nc2ccc(C)cc2C)s1.,CNC(=O)CNC(=O)CSc1nnc(Nc2ccc(CC#N)cc2C)s1
SubComponent,Please substitute a halo in the molecule CC(C)Cn1c(CNC(=O)OC(C)(C)C)c(-c2ccc(Cl)cc2)c2cc(OCC(N)=O)ccc2c1=O with a carboxyl.,CC(C)Cn1c(CNC(=O)OC(C)(C)C)c(-c2ccc(C(=O)[OH])cc2)c2cc(OCC(N)=O)ccc2c1=O
DelComponent,Modify the molecule CCNC(NCC(C)C)=[NH+]Cc1cccc(OCC(N)=O)c1 by removing a benzene ring.,CCNC(NCC(C)C)=[NH+]COCC(N)=O
LogP,Modify the molecule C=C(C(=O)[O-])C1(OC)CCOCC1 to have a lower LogP value.,C=C(C(=O)[O-])C1(OCO)CCOCC1
MR,Optimize the molecule COc1cc2c(cc1OCCCCCC(=O)Nc1cc(C(=O)Nc3ccc(-c4c[nH]c(C(=O)Nc5ccc(N)cc5)c4)cc3)n(C)c1)N=CC1CCCCCN1C2=O to have a lower MR value.,COc1cc2c(cc1OCCCCCC(=O)Nc1cc(C(=O)Nc3ccc(-c4c[nH]c(C(=O)NN)c4)cc3)n(C)c1)N=CC1CCCCCN1C2=O
QED,Optimize the molecule COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 to have a lower QED value.,COc1ccc(NS(=O)(=O)c2ccc(S)cc2)cc1S(=O)(=O)N1CCCCC1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 7 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",COC(=O)C(C(=O)OC)C(C[N+](=O)[O-])C1C(F)=CC2=C1CCO2
BondNum,"The molecule consists of 18 single bonds, 3 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",O=C(Nc1ccc(N2CCCCC2)nc1)c1sccc1S(=O)(=O)N1CCCCC1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 ketone group.",CCCn1c(-c2cc(C)ccc2OC)ccc(C(C)=O)c1=O
AddComponent,Add a benzene ring to the molecule CCOCCOc1ccc(-c2n[nH]c(CO)c2C)cc1.,Cc1c(-c2ccc(OCCOC(C)c3ccccc3)cc2)n[nH]c1CO
SubComponent,Modify the molecule halo by substituting a CC(=O)NCC1CN(c2ccc(N3CCN(C(NC=O)C(F)(F)F)CC3)c(F)c2)C(=O)O1 with a aldehyde.,CC(=O)C(F)(F)C(NC=O)N1CCN(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)CC1
DelComponent,Modify the molecule amine by removing a O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1.,O=C([O-])c1ccccc1S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1
LogP,Modify the molecule Cn1cc(C2OCCC2NC(=O)C2CCCC(F)(F)C2)cn1 to have a higher LogP value.,Cn1cc(C2OCCC2NC(=O)C2CC(F)(F)CCC2c2ccccc2)cn1
MR,Modify the molecule COc1cc(C=CC(=O)OCC(=O)NCC2CCCO2)ccc1OCC#N to decrease its MR value.,COC(=CC(=O)OCC(=O)NCC1CCCO1)OCC#N
QED,Modify the molecule CC(Sc1n[nH]c(N)n1)C(=O)NC1CCCCCC1 to decrease its QED value.,CC(Sc1n[nH]c(N)n1)C(=O)NC1(c2ccccc2)CCCCCC1
AtomNum,"There is a molecule composed of 13 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 2 bromine atoms.",O=C(NC1(CO)CCOCC1)c1cc(Br)ccc1Br
BondNum,"The molecule contains 8 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(CC(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)o2)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",Cc1ccc(C(=O)NC2CCCCC2C)c(O)c1
AddComponent,Modify the molecule CC[NH2+]C(C)c1ccnc(OCCCc2ccncc2)c1 by adding a benzene ring.,CC[NH2+]C(C)c1cc(OCCCc2ccncc2)ncc1-c1ccccc1
SubComponent,Modify the molecule CS(=O)(=O)OCC(Br)=CCCc1ccccc1 by substituting a halo with a carboxyl.,CS(=O)(=O)OCC(=CCCc1ccccc1)C(=O)[OH]
DelComponent,Please remove a benzene ring from the molecule Cc1ccc([NH+]=C(NOC(=O)c2ccccc2)c2nonc2N)cc1.,C[NH+]=C(NOC(=O)c1ccccc1)c1nonc1N
LogP,Modify the molecule Cc1ccc(OCCC(C)O)c(C[NH2+]C(C)C)c1 to increase its LogP value.,Cc1ccc(OCCC(C)C(=O)[OH])c(C[NH2+]C(C)C)c1
MR,Please optimize the molecule CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)[O-])C5CCC4(C)C2(CO)CC3)C(OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(OC3OCC(C)(CO)C3O)C2O)C(O)C1O to have a lower MR value.,CC1OC(OC2COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(C(=O)[O-])C8CCC7(C)C5(CO)CC6)OC(C)C(O)C4O)C(O)C3OC3OCC(C)(CO)C3O)C(O)C2O)C(O)C(O)C1O
QED,Please optimize the molecule CC(C)C[NH+](CC(=O)Nc1cc(F)ccc1N)CC(C)C to have a lower QED value.,CC(=O)c1ccc(N)c(NC(=O)C[NH+](CC(C)C)CC(C)C)c1
AtomNum,"The molecule contains 12 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",O=C(NCC[NH+]1CCOCC1)c1ccc[n+]([O-])c1
BondNum,"The molecule contains 8 single bonds, 5 rotatable bonds, and 15 aromatic bonds.",CCOCc1nc2c(Cl)nc3ccccc3c2n1CC[NH3+]
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",Cc1ccc(C(=O)N2CCC(C)(C)C([NH3+])C2)c(C)c1
AddComponent,Modify the molecule Cc1nn(CCCNC(=O)c2cc3nc(-c4ccc(C(C)C)cc4)cc(C(F)(F)F)n3n2)cc1Br by adding a benzene ring.,Cc1nn(CCCNC(=O)c2cc3nc(-c4ccc(C(C)C)c(-c5ccccc5)c4)cc(C(F)(F)F)n3n2)cc1Br
SubComponent,Modify the molecule Cc1cc(C)c2nc(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cn4)c3C)sc2c1 by substituting a halo with a thiol.,Cc1cc(C)c2nc(NC(=O)c3cnn(-c4ccc(C(F)(F)S)cn4)c3C)sc2c1
DelComponent,Please remove a hydroxyl from the molecule CCc1cccc(C(O)C(C)(C)C)c1.,CCc1cccc(CC(C)(C)C)c1
LogP,Modify the molecule O=C(c1ccccc1Oc1ccccc1)N1CCCC(Oc2cccnn2)C1 to increase its LogP value.,O=C(c1ccccc1Oc1ccccc1)N1CCCC(Oc2ccc(-c3ccccc3)nn2)C1
MR,Optimize the molecule CC(=O)NC1CCCN(S(=O)(=O)c2ccccc2Br)C1 to have a lower MR value.,CC(=O)NC1CCCN(S(=O)(=O)c2ccccc2)C1
QED,Modify the molecule Cc1cc(OCC(=O)N(Cc2ccccc2Cl)C(C)C(=O)NC2CCCC2)ccc1Cl to have a lower QED value.,Cc1cc(OCC(=O)N(Cc2ccccc2C(=O)[OH])C(C)C(=O)NC2CCCC2)ccc1Cl
AtomNum,"The molecule has 25 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",COc1cccc2c(C(=O)NCCCCc3ccccc3)nn(CC[NH+]3CCOCC3)c12
BondNum,"The molecule has 13 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",COP(=O)(OC)C(Nc1ccc(Br)cc1)c1ccc2c(c1)OCO2
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3CCCC3)cc2)CC1
AddComponent,Modify the molecule CC(=O)Nc1ccc2oc(=O)n(C3CC[NH2+]CC3)c2c1 by adding a benzene ring.,CC(=O)Nc1ccc2oc(=O)n(C3CC[NH2+]C(c4ccccc4)C3)c2c1
SubComponent,Please substitute a CNC(=O)c1cc(Oc2ccc3c(C(=O)Cl)cccc3c2)ccn1 in the molecule halo with a nitro.,CNC(=O)c1cc(Oc2ccc3c(C(=O)NO)cccc3c2)ccn1
DelComponent,Remove a hydroxyl from the molecule CC1=C(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)CCCO1.,CC1=C(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)CCCO1
LogP,Optimize the molecule CNS(=O)(=O)Nc1cccc(CO)c1 to have a lower LogP value.,CNS(=O)(=O)NCO
MR,Modify the molecule CC(C)Cn1ncnc1COCC1C[NH2+]CCO1 to have a higher MR value.,CC(C)Cn1nc(-c2ccccc2)nc1COCC1C[NH2+]CCO1
QED,Optimize the molecule COCCC[NH+]1C(C)CN(C(=O)CCCC(=O)c2cccs2)CC1C to have a lower QED value.,CC1CN(C(=O)CCCC(=O)c2cccs2)CC(C)[NH+]1CCCOCc1ccccc1
AtomNum,"The molecule contains 14 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCOC(=O)N1CCC(NC(=O)C[NH+](CC)CC)CC1
BondNum,"Please generate a molecule composed of 12 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCC[NH2+]C1CCc2c(OCc3nccn3C)cccc21
FunctionalGroup,"The molecule is composed of 4 benzene ring groups, 1 amide group, 1 amine group, 5 halo groups, and 1 sulfide group.",Cc1ccc([NH+]=C2SC(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl
AddComponent,Modify the molecule CC(CC[NH+]1CCOCC1)NC(=O)N(C)Cc1csc(C(C)C)n1 by adding a benzene ring.,CC(C)c1nc(CN(C)C(=O)NC(CC[NH+]2CCOCC2)Cc2ccccc2)cs1
SubComponent,Substitute a halo in the molecule [NH3+]C(c1ccc2[nH]c(=O)oc2c1)c1sccc1Br with a nitro.,[NH3+]C(c1ccc2[nH]c(=O)oc2c1)c1sccc1NO
DelComponent,Modify the molecule CN(CC(N)=S)C(=O)c1cccc(=O)[nH]1 by removing a amine.,CN(CC=S)C(=O)c1cccc(=O)[nH]1
LogP,Please modify the molecule [NH3+]C(O)(O)Cc1ccc(O)c2[nH]c(=O)sc12 to increase its LogP value.,[NH3+]C(O)(Cc1ccc(O)c2[nH]c(=O)sc12)C(=O)[OH]
MR,Please modify the molecule Clc1cc(NCc2cccnn2)nc(-c2ccccc2)n1 to decrease its MR value.,N#Cc1cc(NCc2cccnn2)nc(-c2ccccc2)n1
QED,Optimize the molecule COc1cc(-c2coc3c(C4OC(CO)C(O)C(O)C4O)c(=O)ccc-3c2O)ccc1O to have a higher QED value.,COc1cc(-c2coc3c(C4CC(O)C(O)C(CO)O4)c(=O)ccc-3c2O)ccc1O
AtomNum,"There is a molecule with 11 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COCCC(=O)NCc1sc(COC)nc1C
BondNum,"There is a molecule composed of 8 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",C[NH2+]C(c1ccc(F)c(F)c1)c1ccc(Cl)c(F)c1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 1 amide group, and 2 halo groups.",CCC([NH2+]C(C)C(=O)NCc1ccc(OC)cc1OC)c1ccc(Cl)c(Oc2ccccc2)c1F
AddComponent,Add a benzene ring to the molecule C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1cccc(OC)c1.,C=CCn1c(SC(C(=O)Nc2nncs2)c2ccccc2)nnc1-c1cccc(OC)c1
SubComponent,Please substitute a O=C(c1ccncc1F)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 in the molecule halo with a hydroxyl.,O=C(c1ccncc1O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(OCC(=O)NCC(c2ccsc2)[NH+]2CCN(C)CC2)c1C.,CCOCC(=O)NCC(c1ccsc1)[NH+]1CCN(C)CC1
LogP,Optimize the molecule CCNc1cc(NCC)[n+]([O-])o1 to have a higher LogP value.,CCNc1cc(CC)o[n+]1[O-]
MR,Please modify the molecule CCOP(=S)(OCC)ON=C(C#N)Sc1nc2ccccc2s1 to decrease its MR value.,CCOP(=S)(OCC)ON=CSc1nc2ccccc2s1
QED,Modify the molecule CCOc1ccccc1NC(=O)N1CCc2c(sc3nc(-c4ccc(Cl)cc4)nn23)C1 to have a lower QED value.,CC(C#N)Oc1ccccc1NC(=O)N1CCc2c(sc3nc(-c4ccc(Cl)cc4)nn23)C1
AtomNum,"The molecule is composed of 29 carbon atoms, 2 oxygen atoms, and 8 nitrogen atoms.",CCOc1cccc(Cn2ncc3c(N4CCN(C(=O)C5CCC([NH+]6CCCCC6)CC5)CC4)ncnc32)n1
BondNum,"The molecule contains 12 single bonds, 4 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC(Nc1ccccc1)=C1C(=O)SC(=Cc2ccc(N(C)C)cc2)C1=O
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 3 ester groups, and 1 halo group.",COC(=O)C(Cc1ccc(OC(C)=O)c(-c2cc(Cl)ccc2OC(C)=O)c1)NC(=O)OC(C)(C)C
AddComponent,Please add a amine to the molecule CCOc1ccc(NC(=O)CSc2nnc(NC3CC3)s2)cc1S(=O)(=O)N1CCCC1.,CCOc1ccc(NC(=O)CSc2nnc(NC3CC3)s2)cc1S(=O)(=O)N1CCC(N)C1
SubComponent,Substitute a O=[N+]([O-])c1cc(F)ccc1NC1CCc2cc(F)ccc21 in the molecule halo with a nitrile.,N#Cc1ccc(NC2CCc3cc(F)ccc32)c([N+](=O)[O-])c1
DelComponent,Please remove a CC(C)(O)CC[NH+]1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 from the molecule halo.,CC(C)(O)CC[NH+]1CCC(CNC(=O)c2cccc(Cl)c2)CC1
LogP,Please optimize the molecule CCCC(C)(CCl)Cc1cccc(C)c1 to have a lower LogP value.,CCCC(C)(CCl)C(C(=O)O)c1cccc(C)c1
MR,Modify the molecule CCCC1CC(C(=O)NC(C)c2ccc(F)c(F)c2)NN1 to have a lower MR value.,CCCC1CC(C(=O)NC(C)c2ccc(F)c(F)c2)N1
QED,Please optimize the molecule CC([NH3+])C(=O)NC(CCC[NH3+])C(=O)NC(CCC[NH3+])C(=O)NC(CCC[NH3+])C(=O)NC(CCC[NH3+])C(=O)NC(CCC[NH3+])C(=O)NC(CS)C(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)[O-])C(C)O to have a higher QED value.,CC([NH3+])C(=O)NC(CCC[NH3+])C(=O)NC(CCC[NH3+])C(=O)NC(CCC[NH3+])C(=O)NC(CCC[NH3+])C(=O)NC(CCC[NH3+])C(=O)NC(C)C(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)[O-])C(C)O
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(=O)c(C)c(C)[nH]2)cc1
BondNum,"Please generate a molecule with 11 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",Clc1ccc(-c2nc(N3CCC[NH2+]CC3)n[nH]2)cc1Cl
FunctionalGroup,"Please generate a molecule consisting 3 amine groups, and 1 sulfone group.",CC(C)NS(=O)(=O)N1CC[NH+](C(C)(C)C(N)=[NH2+])CC1
AddComponent,Add a carboxyl to the molecule COC(=O)NNc1cc(SCC[NH+]2CCN(c3ccc(F)cc3F)CC2)nc(N)n1.,COC(=O)NNc1cc(SCC[NH+]2CCN(c3c(F)cc(F)cc3C(=O)O)CC2)nc(N)n1
SubComponent,Please substitute a hydroxyl in the molecule O=S(=O)(NC1c2ccccc2CC1O)c1ccc(F)c(F)c1 with a nitrile.,N#CC1Cc2ccccc2C1NS(=O)(=O)c1ccc(F)c(F)c1
DelComponent,Please remove a benzene ring from the molecule CCCC[NH2+]CCCCCOc1ccccc1[N+](=O)[O-].,CCCC[NH2+]CCCCCO[N+](=O)[O-]
LogP,Optimize the molecule COc1ccc(NC(=O)C2(C)CCCC2)c(N)c1 to have a higher LogP value.,COc1cc(N)c(NC(=O)C2(C)CCCC2)c(-c2ccccc2)c1
MR,Modify the molecule CCNc1[nH+]c(C)cn1C(C)CSCC to decrease its MR value.,CCSCC(C)n1cc(C)[nH+]c1CC
QED,Please optimize the molecule CCC1OC(n2nc(-c3ccco3)c3c([NH+]=CN(C)C)nc([NH+]=CN(C)C)nc32)CC1OP(OCCC#N)N(C(C)C)C(C)C to have a higher QED value.,CCOP(OC1CC(n2nc(-c3ccco3)c3c([NH+]=CN(C)C)nc([NH+]=CN(C)C)nc32)OC1CC)N(C(C)C)C(C)C
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",O=C(Cc1csc(-c2cccc(F)c2)n1)NCc1ccccc1Cn1cccn1
BondNum,"The molecule has 94 single bonds, and 65 rotatable bonds.",C[Si](CCC[NH3+])O[Si](C)(CCC[NH3+])O[Si](C)(CCC[NH3+])O[Si](C)(CCC[NH3+])O[Si](C)(CCC[NH3+])O[Si](C)(CCC[NH3+])O[Si](C)(CCC[NH3+])O[Si](C)(CCC[NH3+])O[Si](C)(CCC[NH3+])O[Si](C)(CCC[NH3+])O[Si](C)(CCC[NH3+])O[Si](C)(CCC[NH3+])O[Si](C)(CCC[NH3+])O[Si](C)(C)C
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 1 halo group.",Cc1ccc2nc(-c3ccc(OCc4ccccc4F)cc3)[nH]c2c1
AddComponent,Add a carboxyl to the molecule CCc1ccc(-c2sc(C)nc2C(=O)N2CC3CC(C)CC3C2C[NH3+])cc1.,CCc1ccc(-c2sc(C)nc2C(=O)N2CC3CC(C)CC3C2C[NH3+])cc1C(=O)O
SubComponent,Please substitute a O=C(Nc1ccc2c(c1)B(O)OC21CCC1)c1ccc(F)cc1C(F)(F)F in the molecule hydroxyl with a carboxyl.,O=C([OH])B1OC2(CCC2)c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc21
DelComponent,Modify the molecule amine by removing a Cc1cc(C)cc(NC(N)=[NH+]CC(=O)N2CCN(c3ccccc3)CC2)c1.,Cc1cc(C)cc(NC(N)CC(=O)N2CCN(c3ccccc3)CC2)c1
LogP,Optimize the molecule CCN(CCC(=O)OC)C(=O)c1cc(-c2ccccc2)on1 to have a higher LogP value.,CCN(CCC(=O)OC)C(=O)c1cc(-c2cccc(-c3ccccc3)c2)on1
MR,Optimize the molecule Cc1ccc(CN2C(=O)SC(=Cc3ccccc3Br)C2=O)cc1 to have a higher MR value.,Cc1ccc(CN2C(=O)SC(=C(O)c3ccccc3Br)C2=O)cc1
QED,Modify the molecule CC1CCC(C(C)C)C(OC2OC(=O)CC2C2(O)CCCCCC2)C1 to have a lower QED value.,CC1CCC(C(C)C)C(OC2OC(=O)CC2C2CCCCCC2)C1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",C[NH+](C)C1=CC2=CN(C3C=CC=CCC=C3)C(=O)N=CC2N1
BondNum,"There is a molecule composed of 16 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C1CCN(C(=O)Cc2ccc(OC)c(Cl)c2)CC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ester group, 1 amide group, 2 halo groups, and 1 sulfide group.",CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
AddComponent,Please add a benzene ring to the molecule O=C([O-])C=Cc1cc(Cl)ccc1OCC1CC1.,O=C([O-])C=Cc1cc(Cl)ccc1OC(c1ccccc1)C1CC1
SubComponent,Please substitute a halo in the molecule FC(F)Oc1cc2c(CCl)ccc(Br)c2s1 with a aldehyde.,CC(=O)C(F)Oc1cc2c(CCl)ccc(Br)c2s1
DelComponent,Please remove a halo from the molecule C[NH2+]C(Cc1ccc(OC)c(F)c1)C1(C)CCCCC1.,C[NH2+]C(Cc1ccc(OC)cc1)C1(C)CCCCC1
LogP,Please optimize the molecule C[NH+](C)CCSc1nnc(C(=O)C(NC(=O)C2CCCCCC2)C2CCCCC2)o1 to have a higher LogP value.,C[NH+](C)C(S)CSc1nnc(C(=O)C(NC(=O)C2CCCCCC2)C2CCCCC2)o1
MR,Modify the molecule Nc1cc(=O)n(C2CCCCC2)c2nc(NC3CCC(C(=O)N4CCOCC4)CC3)ncc12 to decrease its MR value.,Nc1cc(=O)n(C2CCCCC2)c2nc(C3CCC(C(=O)N4CCOCC4)CC3)ncc12
QED,Please modify the molecule COc1ccc(Cl)cc1NC(=O)COC(=O)CCNC(C)=O to decrease its QED value.,COc1ccc(Cl)c(-c2ccccc2)c1NC(=O)COC(=O)CCNC(C)=O
AtomNum,"The molecule is composed of 10 carbon atoms, 7 oxygen atoms, and 1 phosphorus atom.",O=C([O-])CC(C(=O)[O-])P(=O)([O-])OC1CCCCC1
BondNum,"The molecule contains 21 single bonds, 4 double bonds, 1 triple bond, 9 rotatable bonds, and 24 aromatic bonds.",N#Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)NC(CC(=O)[O-])c4cccnc4)cc3NC(=O)c3cccc(F)c3)CC2)cc1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 1 amine group.",[C-]#[N+]c1ccc(Oc2ccccc2C[NH+](C)C)c(N)c1C
AddComponent,Add a carboxyl to the molecule Cc1cccc(-c2ccc(-c3cccc(C)c3)s2)c1.,Cc1cccc(-c2ccc(-c3cccc(CC(=O)O)c3)s2)c1
SubComponent,Please substitute a CC(C)(C)c1ccc(C(=O)N2CCCC(NC(=O)c3ccc(Cl)cc3)C2)cc1 in the molecule halo with a thiol.,CC(C)(C)c1ccc(C(=O)N2CCCC(NC(=O)c3ccc(S)cc3)C2)cc1
DelComponent,Modify the molecule halo by removing a CC([NH2+]Cc1cc(Br)ccc1F)c1ccco1.,CC([NH2+]Cc1ccccc1F)c1ccco1
LogP,Modify the molecule COc1ccc(C(=O)NC=C2C(=O)OC(C)(C)OC2=O)cc1 to decrease its LogP value.,COC(=O)NC=C1C(=O)OC(C)(C)OC1=O
MR,Please optimize the molecule N#CC1=CCC2C(=C1)OCC21C=Nc2ccccc21 to have a higher MR value.,BrC1=CCC2C(=C1)OCC21C=Nc2ccccc21
QED,Modify the molecule CC(C)c1ccc(S(=O)(=O)CCC(=O)Cl)cc1 to decrease its QED value.,CC(C)c1ccc(S(=O)(=O)CCC=O)cc1
AtomNum,"The molecule has 20 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCc1oc2ccccc2c1C=CC(=O)N1CCCN(C(=O)OC)CC1
BondNum,"There is a molecule consisting of 7 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",O=C(NN=Cc1cccc(F)c1O)c1ccccc1O
FunctionalGroup,The molecule has and 2 amide groups.,CCCNC(=O)c1c(NC(=O)C2CC2)cnn1C
AddComponent,Modify the molecule CCCC(CCC)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl by adding a hydroxyl.,CCCC(CCC)C(=O)Oc1cc(O)c(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
SubComponent,Please substitute a CC(C)(C)OC(=O)N1CC(c2[nH]nc3c2C(O)(C(F)(F)F)CC(=O)N3)C1 in the molecule hydroxyl with a nitrile.,CC(C)(C)OC(=O)N1CC(c2[nH]nc3c2C(C#N)(C(F)(F)F)CC(=O)N3)C1
DelComponent,Modify the molecule Cc1cc(C=NNC(=O)COc2ccccc2Cl)c(C)n1-c1ccccc1Cl by removing a amide.,Cc1cc(C=NOc2ccccc2Cl)c(C)n1-c1ccccc1Cl
LogP,Please modify the molecule Nc1ccc(CCC(=O)OCc2ccc(Cl)s2)cc1 to decrease its LogP value.,NCCC(=O)OCc1ccc(Cl)s1
MR,Please optimize the molecule Cc1ccncc1CNC(=O)C#CBr to have a lower MR value.,Cc1ccncc1CNC(=O)C#CNO
QED,Please optimize the molecule O=C(CCc1ccsc1)CSc1ccccc1 to have a lower QED value.,O=C(CS)CCc1ccsc1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",O=C(CCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO
BondNum,"The molecule consists of 6 single bonds, 3 rotatable bonds, and 17 aromatic bonds.",OC(Cc1cc(Cl)ccc1F)c1ccc2ccccc2c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",Cc1cc(NC(=O)C[NH+](Cc2ccccc2)CC2CCCO2)on1
AddComponent,Please add a hydroxyl to the molecule Cc1cccc(C(O)CNc2cn[nH]c(=O)c2Cl)c1.,O=c1[nH]ncc(NCC(O)c2cccc(CO)c2)c1Cl
SubComponent,Substitute a CCCCN(Cc1cccn1Cc1ccc(Br)cc1)C(=O)CN(CCOC)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(Cn2cccc2CN(CCCC)C(=O)CN(CCOC)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
DelComponent,Remove a amine from the molecule CC(CNS(=O)(=O)N1CC[NH2+]CC1)[NH+]1CCCC1.,CC(CS(=O)(=O)N1CC[NH2+]CC1)[NH+]1CCCC1
LogP,Modify the molecule CC(F)c1[nH]nc2cc(N)ccc12 to have a higher LogP value.,CC(F)c1[nH]nc2c(-c3ccccc3)c(N)ccc12
MR,Please modify the molecule O=C(NCc1ccccc1)OCC(C(F)F)C1C=CCO1 to increase its MR value.,O=C(NCc1ccccc1)OCC(C(O)F)C1C=CCO1
QED,Please optimize the molecule Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C1CCCN1C(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N3CCOCC3)c2)CC1 to have a lower QED value.,Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C1CCCN1C(=O)C1CC[NH+](CC(=O)Nc2ccc(NO)c(C(=O)N3CCOCC3)c2)CC1
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(-c2noc(CCC(=O)N(C)c3ccccc3C)n2)cc1
BondNum,"There is a molecule composed of 8 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCCn1cncc1CSc1cc(N)cc(F)c1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amine group, 1 nitro group, and 2 sulfone groups.",CCOc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1
AddComponent,Modify the molecule Cc1cc(F)c(N)cc1S(=O)(=O)NCc1ncn[nH]1 by adding a hydroxyl.,Cc1cc(F)c(N)cc1S(=O)(=O)NCc1nc(O)n[nH]1
SubComponent,Substitute a hydroxyl in the molecule COC(=O)CCC(CO)CO with a halo.,COC(=O)CCC(CO)CI
DelComponent,Please remove a amine from the molecule CCCc1c(NN)ncnc1SC(C)CC.,CCCc1c(N)ncnc1SC(C)CC
LogP,Please modify the molecule C[NH2+]Cc1occc1COc1ccccc1Cl to decrease its LogP value.,C[NH2+]Cc1occc1COc1ccccc1S
MR,Modify the molecule CCC(C)(C)NS(=O)(=O)c1cc(C[NH2+]C2CC2)ccc1F to increase its MR value.,CCC(C)(C)NS(=O)(=O)c1cccc(C[NH2+]C2CC2)c1
QED,Modify the molecule Nc1nc(CCC(=O)N2CCCC2c2cccc(Nc3ccc(F)cn3)n2)cs1 to increase its QED value.,Nc1nc(CC2(c3cccc(Nc4ccc(F)cn4)n3)CCC2)cs1
AtomNum,"Please generate a molecule composed of 8 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",Cc1nc(C(C)NOCC(F)(F)F)cs1
BondNum,"Please generate a molecule composed of 16 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",CCCc1ncc(CNC(=O)N2CC(C)[NH+](C)C(C)C2)o1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, and 5 halo groups.",O=C(Nc1cccc(F)c1)c1cc(C(F)(F)F)ccc1F
AddComponent,Modify the molecule CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(OC)c(C(=O)NC(C)C)c3)ccc21 by adding a hydroxyl.,CCn1c(=O)sc2cc(NS(=O)(=O)c3cc(O)c(OC)c(C(=O)NC(C)C)c3)ccc21
SubComponent,Substitute a Cc1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)sc1CCC[NH+](C)C in the molecule halo with a nitrile.,Cc1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(C#N)ccc4c3)CC2)sc1CCC[NH+](C)C
DelComponent,Remove a COC(C(=O)c1cc2cc(Cl)ccc2o1)C(C)(C)C from the molecule halo.,COC(C(=O)c1cc2ccccc2o1)C(C)(C)C
LogP,Modify the molecule CN(C1CCC1)S(=O)(=O)c1ccc(C#CCO)cc1F to have a lower LogP value.,CN(C1CCC1)S(=O)(=O)c1ccc(C#CCNO)cc1F
MR,Optimize the molecule Oc1ccc(O)c(CC[N+](=Cc2ccccc2)c2ccccc2O)c1 to have a lower MR value.,OOCC[N+](=Cc1ccccc1)c1ccccc1O
QED,Please optimize the molecule CC(C)c1cnc2c(c1SCC(=O)NCc1ccc(F)cc1)c(=O)n(C)c(=O)n2C to have a higher QED value.,CC(C)c1cnc2c(c1SCc1ccc(F)cc1)c(=O)n(C)c(=O)n2C
AtomNum,"The molecule has 13 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CCn1ccc(=O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 7 rotatable bonds, and 5 aromatic bonds.",CN(C)C(=O)CCC[NH2+]CCc1ccn(C)n1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ester group, 2 amide groups, and 1 sulfone group.",CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1
AddComponent,Please add a benzene ring to the molecule CCc1ccc(CC(CC)(CC)C[NH2+]CCOC)s1.,CCc1ccc(CC(CC)(CC)C([NH2+]CCOC)c2ccccc2)s1
SubComponent,Substitute a NC(=O)C(c1cccc(C(F)(F)F)c1)[NH+]1CCC([NH2+]CC(O)C2COc3ccccc3O2)CC1 in the molecule halo with a hydroxyl.,NC(=O)C(c1cccc(C(O)(F)F)c1)[NH+]1CCC([NH2+]CC(O)C2COc3ccccc3O2)CC1
DelComponent,Remove a benzene ring from the molecule CC(CCCc1cccc(-n2c3ccccc3c3ccccc32)c1O)C1CCCCC1[NH+](C)Cc1cccc(CC2CCc3ccccc3-c3ccccc32)c1O.,CC(CCCc1cccc(-n2c3ccccc3c3ccccc32)c1O)C1CCCCC1[NH+](C)C(O)CC1CCc2ccccc2-c2ccccc21
LogP,Please optimize the molecule CC(C)Cc1ccc(C(C)C(=O)NC(=S)Nc2ccccc2C(=O)NCc2ccco2)cc1 to have a lower LogP value.,CC(C)Cc1ccc(C(C)C(=O)NC(=S)c2ccccc2C(=O)NCc2ccco2)cc1
MR,Modify the molecule Cc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)[O-])oc1Br to have a lower MR value.,Cc1ccccc1N(C)S(=O)(=O)c1coc(C(=O)[O-])c1
QED,Please optimize the molecule O=C([O-])c1cc(O)ccc1CONC1CC[N+]12C(=O)C21CC([N+](=O)[O-])CCC1C(=O)[O-] to have a higher QED value.,N#Cc1ccc(CONC2CC[N+]23C(=O)C32CC([N+](=O)[O-])CCC2C(=O)[O-])c(C(=O)[O-])c1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",Cc1cc(Cl)cc(OCc2cc(NN)ncc2Br)c1
BondNum,"There is a molecule with 10 single bonds, 3 double bonds, 7 rotatable bonds, and 23 aromatic bonds.",CCOC(=O)c1c(C(=O)c2ccc([N+](=O)[O-])cc2)nn(-c2ccccc2)c1-c1ccccc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 2 halo groups.",O=C(CCC1CC[NH2+]CC1)Nc1ccc(Cl)c(Cl)c1
AddComponent,Modify the molecule O=C(c1ccc(Br)o1)N1CCCC(Br)C1 by adding a hydroxyl.,O=C(c1oc(Br)cc1O)N1CCCC(Br)C1
SubComponent,Please substitute a hydroxyl in the molecule COC(=O)c1cn(CCO)c2cc(C)ccc12 with a carboxyl.,COC(=O)c1cn(CCC(=O)[OH])c2cc(C)ccc12
DelComponent,Remove a halo from the molecule Cc1ccc(F)cc1OCc1ccccc1C(N)=S.,Cc1ccccc1OCc1ccccc1C(N)=S
LogP,Please modify the molecule COc1cccc(C2=C(C(C)(C)C)C(C)(C)CN2C(=O)OC(C)(C)C)c1 to increase its LogP value.,COc1cccc(C2=C(C(C)(C)C)C(C)(C)CN2C(=O)OC(C)(C)Cc2ccccc2)c1
MR,Please modify the molecule O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1cccc2ccccc12 to decrease its MR value.,O=C(NOc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12
QED,Please modify the molecule Cn1cc(Nc2nnc(Cl)c3ccccc23)cn1 to decrease its QED value.,Cn1cc(Nc2nnc(C(=O)[OH])c3ccccc23)cn1
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC(C)(C)C1CC[NH+](CC2(C=O)CCOCC2)C1
BondNum,"The molecule consists of 22 single bonds, 4 double bonds, and 3 rotatable bonds.",C=C1C(=O)OC2C1CCC(OC(=O)CCC)C1(O)CCC(=O)C21C
FunctionalGroup,"There is a molecule composed of 2 amide groups, 1 amine group, and 1 halo group.",CCCN(CC(N)=O)C(=O)C1=Cc2ccc(Br)cc2[NH+]=C(N(C(=O)[O-])C(C)(C)C)C1
AddComponent,Modify the molecule Cn1ccc(CC[NH2+]Cc2ccc(C(N)=O)cc2Cl)n1 by adding a benzene ring.,Cn1ccc(CC[NH2+]Cc2ccc(C(N)=O)c(-c3ccccc3)c2Cl)n1
SubComponent,Modify the molecule COc1cc(C(=O)NCC2([NH3+])CCCCC2)ccc1F by substituting a halo with a nitro.,COc1cc(C(=O)NCC2([NH3+])CCCCC2)ccc1NO
DelComponent,Modify the molecule halo by removing a Cn1ccc(COc2c(Cl)cc(Cl)cc2C[NH3+])n1.,Cn1ccc(COc2ccc(Cl)cc2C[NH3+])n1
LogP,Please modify the molecule Cn1ncc(NC(=O)c2ccc(F)cc2)c(N2CCOCC2)c1=O to decrease its LogP value.,Cn1ncc(NC(=O)c2ccc(NO)cc2)c(N2CCOCC2)c1=O
MR,Please modify the molecule COC(=O)c1cc(F)cc(-c2ccc(C)cc2C)c1 to increase its MR value.,COC(=O)c1cc(C(=O)[OH])cc(-c2ccc(C)cc2C)c1
QED,Modify the molecule C[NH+](Cc1ccsc1)Cc1ccc(C#CC[NH3+])s1 to increase its QED value.,C[NH+](Cc1ccsc1)Cc1ccc(C#CC([NH3+])C#N)s1
AtomNum,"Please generate a molecule with 14 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CS(=O)CCC[NH2+]Cc1c(C(=O)[O-])oc2ccccc12
BondNum,"There is a molecule composed of 13 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(N2CC[NH2+]C(C3CC3)C2)cc1C
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 1 sulfone group.",COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(S(C)(=O)=O)CC2)cc1
AddComponent,Please add a benzene ring to the molecule O=C(c1ccc(F)cc1)C1CC[NH+](CC2CC3c4ccccc4Cc4ccccc4C3O2)CC1.,O=C(c1ccc(F)cc1)C1CC[NH+](CC2CC3c4ccccc4Cc4c(-c5ccccc5)cccc4C3O2)CC1
SubComponent,Substitute a halo in the molecule CN(Cc1ccc(Br)cc1N)c1ccc(F)cc1 with a thiol.,CN(Cc1ccc(S)cc1N)c1ccc(F)cc1
DelComponent,Modify the molecule benzene ring by removing a C=C(C)C(O)Cc1c(O)cc2c(c1[O-])C(=O)CC(c1ccc(O)c(O)c1CC=C(C)CCC=C(C)C)O2.,C=C(C)C(O)Cc1c(O)cc2c(c1[O-])C(=O)CC(O)(C(O)C=C(C)CCC=C(C)C)O2
LogP,Modify the molecule Cn1cc2cc(C(F)(F)F)cc(CCOCC3(c4ccc(F)cc4)CCN(C(=O)[O-])CC3)c2n1 to decrease its LogP value.,Cn1cc2cc(C(F)(F)NO)cc(CCOCC3(c4ccc(F)cc4)CCN(C(=O)[O-])CC3)c2n1
MR,Optimize the molecule Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 to have a higher MR value.,CC(=O)c1c([N+](=O)[O-])nn(CC(=O)N2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1C
QED,Optimize the molecule COc1cc(C)c(OC)c(CC2(O)CC2)c1C to have a lower QED value.,CC(=O)C1(Cc2c(C)c(OC)cc(C)c2OC)CC1
AtomNum,"Please generate a molecule with 9 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC(C)(C)Cc1cc(C=O)n[nH]1
BondNum,"The molecule has 16 single bonds, 3 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)c1c(NC(=O)COc2c(C)cc(Cl)cc2Cl)sc(C(=O)OC)c1C
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 2 halo groups.",CC(C)COc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl
AddComponent,Add a hydroxyl to the molecule Cc1nc(=O)cc(C=C[NH+]2CC(C)CC(C)C2)[nH]1.,Cc1nc(=O)cc(C=C[NH+]2CC(C)CC(C)C2O)[nH]1
SubComponent,Please substitute a Nc1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2n1 in the molecule halo with a nitrile.,N#Cc1ccc(-c2nc3nc(N)ccc3[nH]2)cc1Cl
DelComponent,Modify the molecule halo by removing a O=c1c(C2=[NH+]S(O)(O)c3ccccc3N2)c([O-])c2ccccc2n1NCc1ccccc1Br.,O=c1c(C2=[NH+]S(O)(O)c3ccccc3N2)c([O-])c2ccccc2n1NCc1ccccc1
LogP,Modify the molecule CCC1CCCN(S(=O)(=O)C2CC2)C1 to have a lower LogP value.,CCC1(O)CCCN(S(=O)(=O)C2CC2)C1
MR,Optimize the molecule CS(=O)(=O)N1N=C(c2cccc(O)c2)CC1c1ccccc1 to have a higher MR value.,CC(=O)c1cccc(C2=NN(S(C)(=O)=O)C(c3ccccc3)C2)c1
QED,Modify the molecule O=C(Nc1c[nH]c2ccccc12)N1CCc2ccccc21 to have a lower QED value.,O=C(Nc1c[nH]c2ccccc12)N1CCc2ccc(-c3ccccc3)cc21
AtomNum,"The molecule contains 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cccc2c(=O)nc(CSCC(C)CO)[nH]c12
BondNum,"Please generate a molecule with 7 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",O=C(Nc1cc(Br)ccn1)Oc1ccc(F)cc1Cl
FunctionalGroup,"The molecule is composed of 1 halo group, 1 thioether group, and 2 sulfide groups.",Cc1ccnc(SCc2ccsc2Br)n1
AddComponent,Add a amine to the molecule Cc1[nH]c(NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)nc(=O)c1C.,Cc1[nH]c(NC2(N)CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)nc(=O)c1C
SubComponent,Substitute a halo in the molecule CCc1c(C)nn(-c2ccc(Br)cc2CCl)c1C with a carboxyl.,CCc1c(C)nn(-c2ccc(C(=O)[OH])cc2CCl)c1C
DelComponent,Modify the molecule nitrile by removing a CC(C#N)CN(C)C(=O)c1ncccc1Br.,CCCN(C)C(=O)c1ncccc1Br
LogP,Please modify the molecule O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(F)c(Cl)c1 to increase its LogP value.,O=C1CCCN1c1ccccc1Nc1ccc(F)c(Cl)c1
MR,Please modify the molecule CCN(CC)c1ccc(N(CC(=O)NCCC2=CCCCC2)C(C)=O)c(C)c1 to decrease its MR value.,CCN(CC)c1ccc(CC(=O)NCCC2=CCCCC2)c(C)c1
QED,Modify the molecule OC(Cc1cc(F)cc(F)c1)c1csnn1 to decrease its QED value.,Fc1cc(F)cc(CCc2csnn2)c1
AtomNum,"The molecule contains 15 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",O=C(C1CCOCC1)N1C2CCC1CC(n1nccn1)C2
BondNum,"There is a molecule with 16 single bonds, 2 double bonds, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",C#CCCC1(CCC(=O)N2CCN(C)c3cc(Cl)ccc32)N=N1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 2 amide groups, 1 halo group, 2 thioether groups, and 1 sulfide group.",Cc1cccc(NC(=O)CSCC(=O)NCC(c2ccccc2Cl)[NH+]2CCCC2)c1
AddComponent,Modify the molecule CCOc1ccc2[nH]c(C(C)[NH2+]C)nc2n1 by adding a hydroxyl.,C[NH2+]C(C)c1nc2nc(OC(C)O)ccc2[nH]1
SubComponent,Substitute a hydroxyl in the molecule C[NH2+]CC(CO)c1ccc(-c2ccccc2)cc1 with a nitrile.,C[NH2+]CC(CC#N)c1ccc(-c2ccccc2)cc1
DelComponent,Remove a hydroxyl from the molecule O=C([O-])C1C[NH2+]C(c2c[nH]c3ccc(F)cc23)CC1O.,O=C([O-])C1CCC(c2c[nH]c3ccc(F)cc23)[NH2+]C1
LogP,Please modify the molecule CC(C[NH2+]C1CC1)Cn1ncn(C)c1=O to decrease its LogP value.,CC(Cn1ncn(C)c1=O)C(O)[NH2+]C1CC1
MR,Optimize the molecule CC1(C)CC2(CC(C)(C)C1COc1ccccc1N)OCCO2 to have a higher MR value.,CC1(C)CC2(CC(C)(C)C1COc1ccccc1N)OCC(O)O2
QED,Optimize the molecule CC(O)C([NH3+])c1cc(F)c(F)cc1N to have a lower QED value.,CC(O)C([NH3+])(O)c1cc(F)c(F)cc1N
AtomNum,"There is a molecule consisting of 9 carbon atoms, and 3 oxygen atoms.",O=C1CC2CC1C1(C2)OCCO1
BondNum,"Please generate a molecule composed of 12 single bonds, 1 double bond, 9 rotatable bonds, and 18 aromatic bonds.",COc1ccc(OCCNC(=O)c2ccnc(Nc3cccc(OC)c3)c2)cc1
FunctionalGroup,"There is a molecule consisting of 2 amide groups, 2 thioether groups, and 3 sulfide groups.",Cc1nnc(C2=C(C(=O)[S-])N3C(=O)C(NC(=O)Cc4csc(NC=O)n4)C3SC2)s1
AddComponent,Add a hydroxyl to the molecule COc1ccc(C(=O)CC2=C(Cl)C=NCC2(C)Cl)c2c1OC1(CCCC1)O2.,COc1ccc(C(=O)CC2=C(Cl)C=NCC2(C)Cl)c2c1OC1(CCC(O)C1)O2
SubComponent,Please substitute a CCC(O)C[NH+]1CC(C)SC(C)C1 in the molecule hydroxyl with a nitrile.,CCC(C#N)C[NH+]1CC(C)SC(C)C1
DelComponent,Please remove a halo from the molecule CCC(=O)c1cc(Cl)ccc1Oc1ncnc2sccc12.,CCC(=O)c1ccccc1Oc1ncnc2sccc12
LogP,Modify the molecule COc1ccc(CCNc2nc(Cl)c3nc(-c4ccco4)oc3n2)cc1 to decrease its LogP value.,COc1ccc(CCNc2nc(Cl)c3nc(-c4ccco4)oc3n2)cc1O
MR,Optimize the molecule Cc1ccc(C(=O)N2CC[NH+](CC(O)COCc3cccs3)CC2)s1 to have a lower MR value.,Cc1ccc(C(=O)N2CC[NH+](CCCOCc3cccs3)CC2)s1
QED,Modify the molecule O=C(CCl)c1cc(F)cc(I)c1Br to increase its QED value.,O=C(CS)c1cc(F)cc(I)c1Br
AtomNum,"The molecule consists of 19 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",C=CC(C)CCCC(=O)N(Cc1ccccc1)C(=O)CS(=O)CC
BondNum,"There is a molecule composed of 16 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCN(C(=O)c1cccc(N2CCCC2=O)c1)C1CCCC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 amine group.",C=CC(=O)N(CCc1nn(-c2ccc(OC)c(O)c2)c2c(N)ncnc12)c1ccccc1
AddComponent,Please add a benzene ring to the molecule O=C(Nc1ccccc1)c1ccc(N2CCOC2=O)cc1.,O=C(Nc1cccc(-c2ccccc2)c1)c1ccc(N2CCOC2=O)cc1
SubComponent,Substitute a thiol in the molecule CC(NC(=O)C(S)Cc1ccccc1)C1CC1 with a hydroxyl.,CC(NC(=O)C(O)Cc1ccccc1)C1CC1
DelComponent,Modify the molecule halo by removing a COc1ccc(CN2CCc3c(Cl)nc(Nc4ccc(N5CCOCC5)cc4CO[Si](C)(C)C(C)(C)C)nc32)cc1.,COc1ccc(CN2CCc3cnc(Nc4ccc(N5CCOCC5)cc4CO[Si](C)(C)C(C)(C)C)nc32)cc1
LogP,Modify the molecule CC(C)(C[NH2+]Cc1ccccc1)COc1cc(Cl)ccc1[N+](=O)[O-] to have a lower LogP value.,CC(C)(C[NH2+]Cc1ccccc1)COc1cc(S)ccc1[N+](=O)[O-]
MR,Please optimize the molecule CCCC1CCC(C#N)C(S(=O)CC)C1 to have a higher MR value.,CC(=O)C1CCC(CCC)CC1S(=O)CC
QED,Optimize the molecule Nc1cnn(CCc2cnoc2)c1 to have a lower QED value.,c1cnn(CCc2cnoc2)c1
AtomNum,"The molecule contains 10 carbon atoms, 1 oxygen atom, and 7 nitrogen atoms.",CC(=O)NC1CCN(c2cc(NN)nc(N)n2)C1
BondNum,"There is a molecule with 20 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",C[NH+]=C(NCC1(c2cccc(F)c2)CC1)NC(C)COC1CCOC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, 1 amine group, and 1 nitrile group.",CC(O)CN(C)c1cccc(C#N)c1N
AddComponent,Add a hydroxyl to the molecule CC(C)(C)[Si](OC1CCN(C(=O)OCc2ccccc2)C1CO)(c1ccccc1)c1ccccc1.,CC(C)(C)[Si](OC1CCN(C(=O)OCc2ccccc2)C1(O)CO)(c1ccccc1)c1ccccc1
SubComponent,Substitute a CCS(=O)(=O)c1ccc(NCc2ccc(O)c(Cl)c2)cc1 in the molecule hydroxyl with a aldehyde.,CC(=O)c1ccc(CNc2ccc(S(=O)(=O)CC)cc2)cc1Cl
DelComponent,Remove a amide from the molecule Cc1cscc1CN1C(=O)C2CCCCN2C(=O)C1C.,Cc1cscc1C1C2CCCN1C(=O)C2C
LogP,Please modify the molecule N#Cc1ccc(C(=O)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)cc1 to increase its LogP value.,O=C(c1ccccc1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1
MR,Please modify the molecule CCCC(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCO to increase its MR value.,CC(=O)CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC(C)CCC
QED,Please optimize the molecule CCc1onc(-c2ccccc2)c1C(=O)NCC(C)(O)C(=O)[O-] to have a lower QED value.,CCc1onc(-c2ccccc2)c1C(=O)NC(O)C(C)(O)C(=O)[O-]
AtomNum,"Please generate a molecule with 26 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",COc1ccc2[nH]cc(C3CCN(C(=O)CCCc4nnc(-c5ccccc5)o4)CC3)c2c1
BondNum,"The molecule contains 19 single bonds, 3 double bonds, and 1 rotatable bond.",O=C1CCC(N2C(=O)CC3(CCCCCC3)C2=O)CC1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 ester group, 1 amine group, 1 halo group, and 1 sulfone group.",CNS(=O)(=O)c1cccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c1
AddComponent,Modify the molecule CCCC(C=CO)SC(C)=O by adding a benzene ring.,CC(=O)SC(C=CO)CCCc1ccccc1
SubComponent,Please substitute a halo in the molecule O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 with a carboxyl.,O=C(c1cccc(C(F)(F)C(=O)[OH])c1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1
DelComponent,Modify the molecule CC(C)C1CCC(C)(I)CC1 by removing a halo.,CC1CCC(C(C)C)CC1
LogP,Please optimize the molecule CC(=NNC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1ccc(Cl)cc1 to have a lower LogP value.,CC(=NNC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1ccc(Cl)cc1O
MR,Please modify the molecule CCC(C)(C)C(=O)OC1CCC2(C)C(CCC3C2CC(O)C2(C)C(C(C)CCCOOC)CCC32)C1 to increase its MR value.,CCC(C)(C)C(=O)OC1CCC2(C)C(CCC3C2CC(C(=O)[OH])C2(C)C(C(C)CCCOOC)CCC32)C1
QED,Modify the molecule CN1C(=O)NC2C[NH+](Cc3nc4c(-c5cnc6ccccc6c5)cnn4c(N)c3Cl)CCC21 to decrease its QED value.,CC(=O)c1c(C[NH+]2CCC3C(C2)NC(=O)N3C)nc2c(-c3cnc4ccccc4c3)cnn2c1N
AtomNum,"Please generate a molecule with 13 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCC1(C[NH2+]CCOC(C)C)CCCC1
BondNum,"Please generate a molecule consisting 8 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",O=C([O-])Cc1c[nH]c2ccc(-c3c(Cl)ccc(Cl)c3Cl)c(O)c12
FunctionalGroup,There is a molecule composed of and 1 hydroxyl group.,Cn1nc(CC2(CO)CC[NH2+]CC2)c2ccccc21
AddComponent,Add a hydroxyl to the molecule COc1c(C)cc(P(C2=CC=CC2C(C)P(C2CCCCC2)C2CCCCC2)c2cc(C)c(OC)c(C)c2)cc1C.,COc1c(C)cc(P(C2=CC=CC2C(C)P(C2CCCCC2)C2CCCCC2)c2cc(C)c(OC)c(CO)c2)cc1C
SubComponent,Please substitute a halo in the molecule O=C([O-])c1nc2cccc(Cl)n2c1Cl with a nitrile.,N#Cc1cccc2nc(C(=O)[O-])c(Cl)n12
DelComponent,Please remove a CCCONc1nc(C#CC2(O)CCCCC2)nc2c1ncn2C1OC(CO)C(O)C1O from the molecule amine.,CCCOc1nc(C#CC2(O)CCCCC2)nc2c1ncn2C1OC(CO)C(O)C1O
LogP,Optimize the molecule N#Cc1ncccc1NCCOC1CCCC1 to have a higher LogP value.,N#Cc1ncc(-c2ccccc2)cc1NCCOC1CCCC1
MR,Modify the molecule CCCCc1ccccc1NS(=O)(=O)c1cccc2cccnc12 to decrease its MR value.,CCCCNS(=O)(=O)c1cccc2cccnc12
QED,Please modify the molecule Cc1cc(Nc2nccc(-c3ccc(I)nc3)n2)ccc1N1CC2CC1C[NH+]2C to increase its QED value.,Cc1cc(Nc2nccc(-c3ccc(NO)nc3)n2)ccc1N1CC2CC1C[NH+]2C
AtomNum,"The molecule contains 11 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCN(CC(=O)[O-])c1nnnn1-c1ccccc1
BondNum,"The molecule is composed of 21 single bonds, 3 double bonds, 2 rotatable bonds, and 10 aromatic bonds.",CC1CCc2c(sc3ncn(C4CCN(C(=O)C5CC(=O)N(C)C5)CC4)c(=O)c23)C1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 4 halo groups.",C=C1C(c2cc(C(F)(F)F)ccc2C)CCCN1N=C(C)Br
AddComponent,Please add a hydroxyl to the molecule C=CC(=O)OC(CC)OC(=O)C(=O)OC(CC)OC(=O)C=C.,C=CC(=O)OC(CC)OC(=O)C(=O)OC(O)(CC)OC(=O)C=C
SubComponent,Modify the molecule hydroxyl by substituting a CCCC(=O)OCN(C(=O)C(NC(=O)C1CCCC[NH+]1C)C(C)CC)C(CC(OC(C)=O)c1nc(C(=O)NC(Cc2ccc(O)cc2)CC(C)C(=O)NNC(=O)OCCSSCC(NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)[O-])NC(=O)NCCCCC(NC(C)=O)C(=O)[O-])C(=O)[O-])cs1)C(C)C with a nitro.,CCCC(=O)OCN(C(=O)C(NC(=O)C1CCCC[NH+]1C)C(C)CC)C(CC(OC(C)=O)c1nc(C(=O)NC(Cc2ccc(NO)cc2)CC(C)C(=O)NNC(=O)OCCSSCC(NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)[O-])NC(=O)NCCCCC(NC(C)=O)C(=O)[O-])C(=O)[O-])cs1)C(C)C
DelComponent,Remove a CN1C(=O)C2NC(CC(=O)c3ccc(Br)cc3)C(Br)[NH2+]C2N(C)C1=O from the molecule amine.,CN1C(=O)C2C(CC(=O)c3ccc(Br)cc3)C(Br)[NH2+]C2N(C)C1=O
LogP,Please modify the molecule CC(C)CC(=O)N(CC(=O)[O-])c1ccc(F)c(F)c1 to decrease its LogP value.,CC(C)CC(=O)N(CC(=O)[O-])c1cccc(F)c1
MR,Optimize the molecule C[NH2+]C(c1cccc(OC2CC2)c1)c1ccc(C)cc1Cl to have a higher MR value.,C[NH2+]C(c1cccc(OC2CC2)c1)c1ccc(C)cc1NO
QED,Please modify the molecule C[Si](C)C1(n2ccc(N)nc2=O)CC(O)C(COC(C)(C)C)O1 to increase its QED value.,C[Si](C)C1(n2cccnc2=O)CC(O)C(COC(C)(C)C)O1
AtomNum,"The molecule is composed of 32 carbon atoms, 1 oxygen atom, and 2 fluorine atoms.",CC=CCCC1(C)C=CC(OCc2ccc(C3CCC4CC(CCC)CCC4C3)cc2)C(F)C1F
BondNum,"The molecule consists of 9 single bonds, 2 double bonds, 6 rotatable bonds, and 15 aromatic bonds.",COC(=O)c1cc2occc2n1CC(=O)NCCc1ccccc1
FunctionalGroup,The molecule contains and 1 amide group.,Cc1ccn2c(C(=O)NCc3nc(-c4cnccn4)n[nH]3)c(C)nc2c1
AddComponent,Add a hydroxyl to the molecule Cc1[nH]n(-c2ccccc2)c(=O)c1C1=Nc2ccccc2C1=O.,Cc1[nH]n(-c2ccccc2)c(=O)c1C1=Nc2c(O)cccc2C1=O
SubComponent,Modify the molecule CC(C)n1cnnc1-c1nn(C)c2c1CN(C(=O)c1cccc(F)c1)CC2 by substituting a halo with a hydroxyl.,CC(C)n1cnnc1-c1nn(C)c2c1CN(C(=O)c1cccc(O)c1)CC2
DelComponent,Remove a amine from the molecule C[NH2+]C(C)(C)CNc1cc(NCC2CCC2)ncn1.,C[NH2+]C(C)(C)Cc1cc(NCC2CCC2)ncn1
LogP,Please optimize the molecule C[NH+](C)C(CNC(=O)C1CCCN(C(=O)C2CC2)C1)c1ccc(F)cc1 to have a lower LogP value.,C[NH+](C)C(CNC(=O)C1CCCN(C(=O)C2CC2)C1)c1ccc(C(=O)[OH])cc1
MR,Modify the molecule CC[NH+](CCO)CC(=O)Nc1sc2c(c1C#N)CCCCC2 to increase its MR value.,CC[NH+](CCO)CC(=O)Nc1sc2c(c1C#N)CCCCC2C(=O)O
QED,Optimize the molecule C#CC(CCC)[NH2+]C1(CN)CCCC(C2CC2)C1 to have a higher QED value.,C#CC(CCC)[NH2+]C1(C)CCCC(C2CC2)C1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1cccc(C(O)CNC(=O)C2CC[NH2+]C2)c1
BondNum,"There is a molecule composed of 6 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",C[NH2+]C(C)(C)C(=O)c1cccc2cccnc12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, 1 halo group, and 1 nitrile group.",CCC(C#N)(CCCOc1ccccc1F)NC1CC1
AddComponent,Please add a hydroxyl to the molecule CCCNc1ncc(CSCC(=O)N(C)C)s1.,CCCNc1ncc(CSC(O)C(=O)N(C)C)s1
SubComponent,Please substitute a nitrile in the molecule CC(C)N=C(NC#N)NS(=O)(=O)c1c[nH+]ccc1NC1CCCCCCCCCCC1 with a thiol.,CC(C)N=C(NS)NS(=O)(=O)c1c[nH+]ccc1NC1CCCCCCCCCCC1
DelComponent,Remove a hydroxyl from the molecule CC(=O)OCC1OC(OC2C(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C([NH3+])C(OC(C)=O)C1OC(C)=O.,CC(=O)OCC1OC(OC2CC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C([NH3+])C(OC(C)=O)C1OC(C)=O
LogP,Please modify the molecule Cc1[nH]ncc1CNC(=O)C1CCC([NH3+])C(C)C1(C)C to increase its LogP value.,Cc1[nH]ncc1CC1CC([NH3+])C(C)C1(C)C
MR,Please modify the molecule CC(C)Nc1ccn(-c2cc(OC(C)C)c3ccc(OCC[NH+](C)C)cc3n2)n1 to decrease its MR value.,CC(C)Oc1cc(-n2ccc(C(C)C)n2)nc2cc(OCC[NH+](C)C)ccc12
QED,Please optimize the molecule C[NH+](C)CC(C)(C)C[NH2+]CCCCC(C)(C)C#N to have a lower QED value.,CC(C)CCCC[NH2+]CC(C)(C)C[NH+](C)C
AtomNum,"The molecule consists of 18 carbon atoms, 2 nitrogen atoms, and 1 chlorine atom.",CC(C)(C)c1ccc(-c2nc(Cl)c3ccccc3n2)cc1
BondNum,"Please generate a molecule with 19 single bonds, 4 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",CCc1cccc(C)c1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, and 1 sulfone group.",CCC(C)Oc1cccc(NC(C)C2CCS(=O)(=O)CC2)c1
AddComponent,Please add a aldehyde to the molecule COc1cc(OC)cc(-c2cc(CCCNC(=O)C(Cc3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)NC(=O)OCC3c4ccccc4-c4ccccc43)c(C=C3SC(=S)N(C4CC5CCC4C5)C3=O)o2)c1.,COc1cc(OC)cc(-c2cc(CCCNC(=O)C(Cc3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c(CC=O)n3)NC(=O)OCC3c4ccccc4-c4ccccc43)c(C=C3SC(=S)N(C4CC5CCC4C5)C3=O)o2)c1
SubComponent,Please substitute a CC(=O)Nc1nc(C)c(C(COc2cccc(C(F)(F)F)n2)OC(C)=O)c(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)n1 in the molecule halo with a nitro.,CC(=O)Nc1nc(C)c(C(COc2cccc(C(F)(F)NO)n2)OC(C)=O)c(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)n1
DelComponent,Modify the molecule halo by removing a CC(I)(OC[NH3+])[Si](C)(C)C.,CC(OC[NH3+])[Si](C)(C)C
LogP,Modify the molecule CC[NH2+]C(c1ccc(CC)c(CC)c1)C1CCOC1CC to have a lower LogP value.,CC[NH2+]C(C(C)CC)C1CCOC1CC
MR,Modify the molecule CC(=O)OCC(C)CN(C(C)=O)c1c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I to have a lower MR value.,CC(=O)OCC(C)CN(C(C)=O)c1c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)cc(C(=O)NCC(COC(C)=O)OC(C)=O)c1I
QED,Optimize the molecule CCCNC(=O)c1ccc(Cl)cc1NC(=O)C1CC[NH+](CC(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3F)cc2C)CC1 to have a lower QED value.,CCCNC(=O)c1ccc(S)cc1NC(=O)C1CC[NH+](CC(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3F)cc2C)CC1
AtomNum,"There is a molecule with 18 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",O=C(OCC(=O)N(C1CC1)C1CCS(=O)(=O)C1)c1cc2ccccc2o1
BondNum,"There is a molecule with 11 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)CC1CC1c1ccc(Cl)c(Cl)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",CC(C)COCCCC(=O)Nc1ccc(F)cc1N
AddComponent,Please add a amine to the molecule CCCCNC(=O)c1cccc(F)n1.,CC(N)CCNC(=O)c1cccc(F)n1
SubComponent,Substitute a hydroxyl in the molecule CC(C)CCC(C(=O)[S-])C(O)(CCC(C)C)C(=O)[O-] with a nitrile.,CC(C)CCC(C(=O)[S-])C(C#N)(CCC(C)C)C(=O)[O-]
DelComponent,Please remove a amide from the molecule O=C(C1CCSC1)N1CCC(C2CCC[NH2+]2)CC1.,C1C[NH2+]C(C2CCC(C3CSC3)C2)C1
LogP,Modify the molecule CCN(CC)C(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(C(=O)Nc4ccc(F)c(F)c4)cc3)C(C)C)CC2)ccc1Cl to increase its LogP value.,CCN(CC)C(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(C(=O)Nc3ccc(C(=O)Nc4ccc(F)c(F)c4)cc3)C(C)C)C2)ccc1Cl
MR,Optimize the molecule CC(CNC(=O)CCCCCC[NH3+])Oc1ccccc1 to have a higher MR value.,CC(Oc1ccccc1)C(O)NC(=O)CCCCCC[NH3+]
QED,Modify the molecule CN(Cc1ccccc1Cl)C(=O)CCc1ccc(C#N)cc1 to increase its QED value.,CN(Cc1ccccc1Cl)C(=O)CCc1ccc(C(=O)[OH])cc1
AtomNum,"The molecule contains 13 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 2 chlorine atoms.",Cn1c(Nc2c(Cl)cncc2Cl)nc2cc(C(N)=O)ncc21
BondNum,"The molecule consists of 3 single bonds, 2 double bonds, 2 rotatable bonds, and 10 aromatic bonds.",CS(=O)(=O)c1ccc(-c2ccon2)s1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfide group.",O=C(COc1ccccc1F)N(CCc1cccs1)Cc1ccco1
AddComponent,Please add a carboxyl to the molecule O=c1nc[nH]c(NC2COCC2O)c1I.,O=C(O)C1(Nc2[nH]cnc(=O)c2I)COCC1O
SubComponent,Please substitute a halo in the molecule CN(C)c1cc(C2(C[NH3+])CCCCC2)cc(F)c1F with a nitrile.,CN(C)c1cc(C2(C[NH3+])CCCCC2)cc(C#N)c1F
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccc4OC)n3C)cc2)cc1.,CONC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2C)cc1
LogP,Modify the molecule COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(C)cc(C)c1 to decrease its LogP value.,COCn1nnnc1SCC(=O)Nc1cc(C)cc(C)c1
MR,Please optimize the molecule CC(C)Oc1cc(N2CCC(O)CC2)nc2sc(C(N)=O)c(N)c12 to have a lower MR value.,CC(C)Oc1cc(N2CCCCC2)nc2sc(C(N)=O)c(N)c12
QED,Modify the molecule CNC(=O)C(CCc1ccccc1)NC(=O)N(CC(=O)OC)CC(C)C to have a lower QED value.,CNC(=O)C(CCc1ccc(-c2ccccc2)cc1)NC(=O)N(CC(=O)OC)CC(C)C
AtomNum,"Please generate a molecule with 16 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",C=CC(c1ccccc1)C1NS(=O)(=O)Oc2ccccc21
BondNum,"Please generate a molecule with 12 single bonds, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",COc1cc(C[NH2+]C(C)(C)C)ccc1OC(C)C#N
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amine group, and 1 halo group.",Cc1ccccc1OCc1c(N)cccc1Cl
AddComponent,Modify the molecule C[NH+]=C1N(C)C(C)CC1(c1ccccc1)c1ccccc1 by adding a hydroxyl.,C[NH+]=C1N(C)C(C)CC1(c1ccccc1)c1ccc(O)cc1
SubComponent,Please substitute a COc1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1Br in the molecule halo with a thiol.,COc1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1S
DelComponent,Remove a amine from the molecule Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3Br)cc2)n1.,Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(C(=S)NC(=O)COc3ccc(Br)cc3Br)cc2)n1
LogP,Modify the molecule Cc1ccccc1CSCC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 to decrease its LogP value.,Cc1ccccc1CSCC(=O)NCc1ccc(OC2CC[NH+](C)C(O)C2)cc1
MR,Modify the molecule CC(F)(F)Nc1ccc2c(c1)C1OCCC1C(C1CCCCC1)N2 to have a higher MR value.,CC(F)(C#N)Nc1ccc2c(c1)C1OCCC1C(C1CCCCC1)N2
QED,Modify the molecule CN(C)c1cc(N(C)C)c(N(C)C)c(N(C)C)c1O to have a lower QED value.,CN(C)c1cc(N(C)C)c(N(C)CO)c(N(C)C)c1O
AtomNum,"The molecule is composed of 59 carbon atoms, 15 oxygen atoms, 12 nitrogen atoms, and 9 iodine atoms.",CN(C(=O)NCCC(CCNC(=O)Nc1c(I)c(C(=O)N2CCOCC2)c(I)c(C(=O)N2CCOCC2)c1I)CCNC(=O)Nc1c(I)c(C(=O)N2CCOCC2)c(I)c(C(=O)N2CCOCC2)c1I)c1c(I)c(C(=O)N2CCOCC2)c(I)c(C(=O)N2CCOCC2)c1I
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",Cc1[nH]c(CC2CCOC2)nc(=O)c1C
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amine group, 1 nitro group, and 1 sulfone group.",COc1ccccc1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]CC1
AddComponent,Please add a aldehyde to the molecule CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc[n+](Cc3ccccc3)c2)CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1.,CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc[n+](Cc3ccccc3)c2CC=O)CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1
SubComponent,Please substitute a halo in the molecule O=C(c1ccccc1CBr)N1C(=O)c2ccccc2C1=O with a hydroxyl.,O=C(c1ccccc1CO)N1C(=O)c2ccccc2C1=O
DelComponent,Please remove a amide from the molecule O=C1C(=O)N(Cc2ccco2)C(c2ccncc2)C1=C([O-])c1ccc2c(c1)CCCO2.,[O-]C(=C(O)C(Cc1ccco1)c1ccncc1)c1ccc2c(c1)CCCO2
LogP,Modify the molecule Fc1ccc(NNC(=S)NC2CCCCC2)c(F)c1 to have a lower LogP value.,ONc1ccc(NNC(=S)NC2CCCCC2)c(F)c1
MR,Modify the molecule O=C1C(=O)N(c2nc3ccc(C(=O)[O-])cc3s2)C(c2cccnc2)C1=C([O-])c1ccc(Br)cc1 to have a lower MR value.,O=C1C(=O)N(c2nc3ccc(C(=O)[O-])cc3s2)C(c2cccnc2)C1=C([O-])c1ccccc1
QED,Please modify the molecule Cc1nc(NCc2ccccc2F)ncc1C(=O)Nc1ccc(F)cc1 to decrease its QED value.,O=C(Nc1ccc(F)cc1)c1cnc(NCc2ccccc2F)nc1CO
AtomNum,"There is a molecule consisting of 17 carbon atoms, 7 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COc1ccc(C(=O)CN(CC(O)CO)C2CCS(=O)(=O)C2)cc1OC
BondNum,"The molecule has 9 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CC(=O)N(C(=O)Cc1cc(Br)ccc1F)c1ccc(N)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amide groups, 1 thioether group, and 1 sulfide group.",Cc1ccc(-n2nnnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1
AddComponent,Modify the molecule O=C1CCN(C(=O)OCc2cccc(Br)c2)CC1 by adding a amine.,NC1CC(=O)CCN1C(=O)OCc1cccc(Br)c1
SubComponent,Substitute a O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC(O)C1 in the molecule halo with a thiol.,O=C(c1cc(C2CC2)nc2ccc(S)cc12)N1CCC(O)C1
DelComponent,Modify the molecule Cc1cccc2sc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)nc12 by removing a amide.,Cc1cccc2sc(-c3ccc(N4CCCC4=O)cc3)nc12
LogP,Optimize the molecule CCCCOc1ccc(NC(=O)C=Cc2cccc3ccccc23)cc1 to have a higher LogP value.,CCCCOc1ccc(NC(=O)C=Cc2cccc3c(-c4ccccc4)cccc23)cc1
MR,Please optimize the molecule CCC1(CO)CC[NH+](CC=Cc2ccccc2OC)CC1 to have a lower MR value.,CCC1(CO)CC[NH+](CC=COC)CC1
QED,Optimize the molecule CC1CN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CC[NH+]1Cc1ccsc1 to have a lower QED value.,CC1CN(c2nc3c(-c4ccccc4)cccc3c3nnc(-c4cccs4)n23)CC[NH+]1Cc1ccsc1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 bromine atom.",CCCNc1ncc(Br)c(N2CCC(O)CC2)n1
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 6 rotatable bonds, and 17 aromatic bonds.",O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCOCC1
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1cccc(C(=O)Nc2cc(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)N5CCOCC5)ccc4Cl)CC3)ccc2F)c1
AddComponent,Please add a hydroxyl to the molecule C[NH+]=C(NCc1ccc(F)c(C[NH+](C)C)c1)NCc1ccc(C)cc1OCCOC.,C[NH+]=C(NCc1ccc(F)c(C[NH+](C)CO)c1)NCc1ccc(C)cc1OCCOC
SubComponent,Please substitute a CCC(=O)N1CCC(N(C(=O)NC2CC=C(Cl)S2)C2CCCCCC2)CC1 in the molecule halo with a thiol.,CCC(=O)N1CCC(N(C(=O)NC2CC=C(S)S2)C2CCCCCC2)CC1
DelComponent,Please remove a benzene ring from the molecule CCc1nn2c(c1C1CC[NH+](CCC(NC(=O)NC3CCCC3)c3ccccc3)CC1)CCCC2.,CCc1nn2c(c1C1CC[NH+](CCCNC(=O)NC3CCCC3)CC1)CCCC2
LogP,Please modify the molecule N#CC1CCC(NC(=O)NC2CCCc3cn[nH]c32)C1 to increase its LogP value.,O=C(NC1CCCC1)NC1CCCc2cn[nH]c21
MR,Modify the molecule COc1cc(C=NNC(=O)C(=O)NCc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1 to decrease its MR value.,CC(=O)c1cc(C=NNC(=O)C(=O)NCc2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccccc1
QED,Optimize the molecule CCOCCCNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 to have a lower QED value.,CCOCCCNC(=O)CN(Cc1c(Cl)cccc1C#N)S(=O)(=O)c1ccc(Cl)cc1
AtomNum,"There is a molecule with 11 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",C[NH2+]CCOc1cccc2c1OCCO2
BondNum,"The molecule is composed of 20 single bonds, and 4 rotatable bonds.",C1CCC(COCC2CCC3(CCCC3)O2)[NH2+]C1
FunctionalGroup,Please generate a molecule composed of and 1 sulfide group.,CCCC([NH3+])c1noc(-c2cccs2)n1
AddComponent,Modify the molecule CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(I)c3)C2=O)c1 by adding a nitrile.,CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC(C#N)c4ccccc4)c(I)c3)C2=O)c1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(Cl)c2cc(C(C)C[NH3+])n(C)c12 with a nitro.,Cc1ccc(NO)c2cc(C(C)C[NH3+])n(C)c12
DelComponent,Remove a amide from the molecule CC1C[NH+]2CCCC2CN1C(=O)C1(C[NH3+])CCOCC1.,CC1C[NH+]2CCCC2C1C([NH3+])C1CCOC1
LogP,Modify the molecule Cc1nc2ccc(CCNC(=O)C([NH3+])CO)cc2o1 to increase its LogP value.,Cc1nc2ccc(CCNC(=O)C([NH3+])CC#N)cc2o1
MR,Modify the molecule CC(C)(C)ON(C=O)CCNc1nc(Cl)ncc1[N+](=O)[O-] to increase its MR value.,CC(C)(Cc1ccccc1)ON(C=O)CCNc1nc(Cl)ncc1[N+](=O)[O-]
QED,Modify the molecule Clc1ccc(OCc2ccc3c(c2)CC[NH2+]C3)cc1 to have a higher QED value.,N#Cc1ccc(OCc2ccc3c(c2)CC[NH2+]C3)cc1
AtomNum,"The molecule contains 8 carbon atoms, 1 oxygen atom, and 2 sulfur atoms.",CS(C)=CC(=O)c1cccs1
BondNum,"There is a molecule consisting of 20 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",Cc1nc(OCC(=O)NCC2CCCO2)c(C#N)c2c1COC(C)(C)C2
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C)cc1
AddComponent,Please add a benzene ring to the molecule CC(C)COc1cc(F)ccc1N.,CC(C)COc1c(N)ccc(F)c1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(c1ccc(F)cc1F)C1CC[NH+](CCC2CCC(NC(=O)N3CCCC3)CC2)CC1 with a nitro.,ONc1ccc(C(=O)C2CC[NH+](CCC3CCC(NC(=O)N4CCCC4)CC3)CC2)c(F)c1
DelComponent,Modify the molecule COc1ccc2ccnc(NC(C)CCC(=O)[O-])c2c1 by removing a amine.,COc1ccc2ccnc(C(C)CCC(=O)[O-])c2c1
LogP,Please modify the molecule CCNc1ncnc(NCCc2ccc(OC)cc2)c1C to increase its LogP value.,CCNc1ncnc(CCc2ccc(OC)cc2)c1C
MR,Please optimize the molecule CNS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCC1 to have a lower MR value.,CS(=O)(=O)CCNC(=O)NCC1(C(=O)[O-])CCC1
QED,Optimize the molecule O=C([O-])CNC(=O)CCCN1C(=O)C(=Cc2cccc(-c3ccc(F)c(F)c3)n2)SC1=S to have a lower QED value.,O=C(CCCN1C(=O)C(=Cc2cccc(-c3ccc(F)c(F)c3)n2)SC1=S)NC(C(=O)[O-])c1ccccc1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 iodine atom.",Cn1cnnc1CNc1ccc([N+](=O)[O-])c(I)c1
BondNum,"There is a molecule with 19 single bonds, 1 double bond, 8 rotatable bonds, and 11 aromatic bonds.",C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCCc1nnc2n1CCCCC2
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",CCCc1cc(=O)n2[nH]c(NC(=O)c3ccc(C)cc3)nc2n1
AddComponent,Please add a hydroxyl to the molecule [NH3+]CCNc1cnn(-c2ccccc2F)c1C1CCC1.,[NH3+]CCNc1cnn(-c2ccccc2F)c1C1(O)CCC1
SubComponent,Modify the molecule halo by substituting a NNC(c1cccc(C(F)(F)F)c1)C1C2C3CCC(C3)C21 with a nitro.,NNC(c1cccc(C(F)(F)NO)c1)C1C2C3CCC(C3)C21
DelComponent,Remove a halo from the molecule COc1ccc(-n2ncc(C(=O)N3CCOCC3)c2C(F)(F)F)nn1.,COc1ccc(-n2ncc(C(=O)N3CCOCC3)c2C(F)F)nn1
LogP,Optimize the molecule CCS(=O)(=O)c1ccc(N(Cc2ccccc2)C(=O)[O-])cc1 to have a lower LogP value.,NCCS(=O)(=O)c1ccc(N(Cc2ccccc2)C(=O)[O-])cc1
MR,Optimize the molecule COC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1C to have a higher MR value.,COC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1C
QED,Optimize the molecule CC(C)(CNC(=O)Cc1cc(F)cc2c1OCOC2)[NH+]1CCCCC1 to have a higher QED value.,CC(C)(Cc1cc(F)cc2c1OCOC2)[NH+]1CCCCC1
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 2 fluorine atoms, and 1 chlorine atom.",CCOc1cc(C=CC(=O)Nc2c(C)cnn2Cc2cc(F)ccc2F)cc(Cl)c1OC
BondNum,"Please generate a molecule composed of 21 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",Cn1cc(C(=O)NC2CCC3CCCC3C2)c(C2CCC[NH2+]C2)n1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 2 halo groups, 2 thioether groups, and 1 sulfide group.",CC(SCc1ccccc1)C(=O)NN=Cc1c(F)cccc1Cl
AddComponent,Add a hydroxyl to the molecule C[NH+]=C(NCCS(=O)(=O)c1ccccc1)NCc1sccc1C.,C[NH+]=C(NCCS(=O)(=O)c1ccccc1)NCc1scc(O)c1C
SubComponent,Substitute a CN1CC[NH2+]C(c2ccncc2)c2cc(F)ccc21 in the molecule halo with a hydroxyl.,CN1CC[NH2+]C(c2ccncc2)c2cc(O)ccc21
DelComponent,Remove a hydroxyl from the molecule CC(C)n1nnnc1SCCCCCO.,CCCCCSc1nnnn1C(C)C
LogP,Optimize the molecule O=C(CCC1CCC(=O)N1)NCc1ccccc1 to have a lower LogP value.,CNC(=O)CCC1CCC(=O)N1
MR,Modify the molecule O=C([O-])C=Cc1cc(C[NH+]2CCOCC2)ccc1F to have a higher MR value.,CC(=O)c1ccc(C[NH+]2CCOCC2)cc1C=CC(=O)[O-]
QED,Please optimize the molecule CC(C(=O)NC1CCCCC1O)[NH+]1CCSCC1 to have a higher QED value.,CC(C(=O)NC1CCCCC1C(=O)[OH])[NH+]1CCSCC1
AtomNum,"Please generate a molecule composed of 50 carbon atoms, 12 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCC1CCCC(OC2CCC(N(C)C(=O)CCCCC3SCC4NC(=O)NC43)C(C)O2)C(C)C(O)C2=CC3C(C=CC4CC(OC5OC(C)C(OC)C(OC)C5OC)CC43)C2CC(=O)O1
BondNum,"Please generate a molecule composed of 8 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",O=C(c1csc(-c2ccco2)n1)N1CCc2ccc(Cl)cc21
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 2 halo groups.",[NH3+]CC1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1
AddComponent,Please add a thiol to the molecule C[NH+](C)CC1=CC=CC1=CCC1CCCCC1.,C[NH+](C)CC1=CC=CC1=CCC1CCCCC1S
SubComponent,Substitute a halo in the molecule CC(CNC(=O)c1ccnc(Br)c1)S(C)=O with a hydroxyl.,CC(CNC(=O)c1ccnc(O)c1)S(C)=O
DelComponent,Modify the molecule CC1CC(=O)CCC1C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 by removing a halo.,CC1CC(=O)CCC1C(=O)Nc1ccc(-c2nnnn2C(C)C)cc1
LogP,Please optimize the molecule CCNC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2C)c(-c2cncc(C(=O)NN)c2)cn1 to have a lower LogP value.,CCNC(=O)Nc1cc(-c2cc(C(F)(F)NO)nn2C)c(-c2cncc(C(=O)NN)c2)cn1
MR,Modify the molecule CC([NH3+])c1ccc(Sc2cc(Cl)ccc2Cl)nc1 to have a higher MR value.,CC([NH3+])c1ccc(Sc2c(Cl)ccc(Cl)c2O)nc1
QED,Please optimize the molecule N#CC(CCc1cccc(C(F)(F)F)c1)(Cc1cncnc1)c1ccccc1Cl to have a lower QED value.,FC(F)(F)c1cccc(CCC(Cc2cncnc2)c2ccccc2Cl)c1
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",COc1ncc(-c2nc(-c3cccc(Cl)c3)no2)cn1
BondNum,"The molecule has 12 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CSc1cccc(NC(=O)c2cnn(C(C)C)c2C(F)(F)F)c1
FunctionalGroup,"The molecule contains 1 aldehyde group, and 1 amide group.",CCN1C(=O)COc2ccc(-c3nc4cc(C)ccn4c3C=O)cc21
AddComponent,Add a benzene ring to the molecule COc1ccc(CCc2nc(-c3cccc(N)c3)n[nH]2)cc1.,COc1ccc(CCc2nc(-c3ccc(-c4ccccc4)c(N)c3)n[nH]2)cc1
SubComponent,Modify the molecule halo by substituting a COC(=O)C(C)S(=O)(=O)Nc1ccc(Br)c2ccccc12 with a nitro.,COC(=O)C(C)S(=O)(=O)Nc1ccc(NO)c2ccccc12
DelComponent,Please remove a CCc1c(C)nc2n(c1=O)C(CC(=O)Nc1ccc(C)cc1)CS2 from the molecule benzene ring.,CCc1c(C)nc2n(c1=O)C(CC(=O)NC)CS2
LogP,Please optimize the molecule Cc1nc(C)c(CC(=O)N2CCOc3ccccc3Oc3ncccc3C(=O)N(C)CC2)s1 to have a higher LogP value.,Cc1nc(C)c(CC(=O)N2CCCc3(nccc-3)Oc3ccccc3OCC2)s1
MR,Please modify the molecule Nc1nc(CCO)ccc1C(=O)[O-] to increase its MR value.,Nc1nc(CCC(=O)[OH])ccc1C(=O)[O-]
QED,Optimize the molecule CCCCC([NH2+]C)(C(C)=O)c1ccccc1Cl to have a lower QED value.,CCCCC([NH2+]C)(C(C)=O)c1ccccc1
AtomNum,"There is a molecule with 15 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",Cc1nn(CC(C)C(=O)Nc2ccc(Br)cc2F)c(C)c1[N+](=O)[O-]
BondNum,"The molecule is composed of 14 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CSC1(C[NH2+]Cc2cc(F)ccc2Br)CCCCC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ketone group, 1 amide group, and 1 halo group.",CC(=O)c1cccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c1
AddComponent,Modify the molecule N#Cc1cccc(C2(C(=O)Cl)CC2)c1 by adding a amine.,N#Cc1cccc(C2(C(=O)Cl)CC2)c1N
SubComponent,Please substitute a halo in the molecule CCOC(=O)c1c(COC(=O)c2ccc(C(C)(C)C)cc2)nc2cc(Cl)c(Cl)cc2[n+]1[O-] with a hydroxyl.,CCOC(=O)c1c(COC(=O)c2ccc(C(C)(C)C)cc2)nc2cc(O)c(Cl)cc2[n+]1[O-]
DelComponent,Modify the molecule benzene ring by removing a CCC(C)C(NC(=O)CSc1ccccc1Cl)C(N)=O.,CCC(C)C(NC(=O)CSCl)C(N)=O
LogP,Please modify the molecule O=c1[nH]ccnc1NCC1CCCC[NH+]1CCn1nc2c(cc1=O)CCCC2 to increase its LogP value.,O=c1[nH]ccnc1CC1CCCC[NH+]1CCn1nc2c(cc1=O)CCCC2
MR,Modify the molecule CCC(=O)c1cc(F)c(OCC2CN(C(=O)c3cccc(Br)n3)CCO2)c(F)c1 to have a higher MR value.,CCC(=O)c1ccc(OCC2CN(C(=O)c3cccc(Br)n3)CCO2)c(F)c1
QED,Please modify the molecule CC(C)(C)OC(=O)NC1CC=CCNC1=O to decrease its QED value.,CC(C)(C)OC(=O)NC1C=CC1
AtomNum,"There is a molecule with 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",c1ccc(CN2CCCC([NH2+]C3CCCOC3)C2)cc1
BondNum,"Please generate a molecule consisting 11 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",[NH3+]CCc1ccc(N2CCCCc3ccccc32)c(F)c1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ester group, and 1 amine group.",CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(Oc2ccccc2)cc1
AddComponent,Please add a aldehyde to the molecule CCN(CC)c1noc(CCCCC(=O)[O-])n1.,CCN(CC)c1noc(C(CC=O)CCCC(=O)[O-])n1
SubComponent,Please substitute a halo in the molecule COc1cccc(C(=O)COC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)c1 with a thiol.,COc1cccc(C(=O)COC(=O)C2CC(=O)N(c3ccc(S)cc3)C2)c1
DelComponent,Remove a Nc1[nH]ncc1C(=O)NCc1ccc(Cl)cc1 from the molecule benzene ring.,Nc1[nH]ncc1C(=O)NCCl
LogP,Modify the molecule C[NH2+]CCc1cc(C)sc1Cl to have a lower LogP value.,C[NH2+]CCc1csc(C)c1
MR,Please modify the molecule O=C(COC(=O)c1cc2c(s1)CCCCC2)NCCOc1ccccc1 to increase its MR value.,O=C(COC(=O)c1cc2c(s1)CCCCC2)NCCOc1cccc(-c2ccccc2)c1
QED,Modify the molecule CC1(CNC(=O)NC(CCC(=O)[O-])Cc2ccccc2)CCOC1C1CC1 to have a higher QED value.,CC(CCC(=O)[O-])NC(=O)NCC1(C)CCOC1C1CC1
AtomNum,"There is a molecule composed of 18 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 chlorine atom.",Cc1cc(C)n(-c2cc(NC(=O)COc3ccc(Cl)c(C)c3)ncn2)n1
BondNum,"The molecule consists of 10 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Nc1ccccc1CC[NH+]1CCOc2ccccc2C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, and 1 amide group.",COC(=O)c1ccc(CCCCN2CCOc3ccccc3C2=O)cc1
AddComponent,Please add a amine to the molecule O=C([O-])C1CCCC1C(=O)NC1CC[NH+]2CCCC2C1.,NC1(NC(=O)C2CCCC2C(=O)[O-])CC[NH+]2CCCC2C1
SubComponent,Please substitute a halo in the molecule O=C([O-])c1ccncc1NCCc1ccccc1F with a hydroxyl.,O=C([O-])c1ccncc1NCCc1ccccc1O
DelComponent,Please remove a CC(C)(C)C1NC(=O)C(C)(C2CC2)N(CCC2CC2)C1=O from the molecule amide.,CC(C)(C)C1(C2(C)CC2)C(=O)N1CCC1CC1
LogP,Optimize the molecule Fc1cnc(F)c(-c2c(Cl)cccc2Cl)c1 to have a lower LogP value.,Fc1cnc(F)c(-c2ccccc2Cl)c1
MR,Please optimize the molecule CCCn1cncc1C[NH2+]C(C)CO to have a higher MR value.,CC(=O)CC(C)[NH2+]Cc1cncn1CCC
QED,Modify the molecule CC(NC(=O)[O-])c1ncc(-c2ccnc(C(F)(F)F)c2)cc1F to increase its QED value.,CC(NC(=O)[O-])c1ncc(-c2ccnc(C(F)F)c2)cc1F
AtomNum,"There is a molecule consisting of 20 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1
BondNum,"The molecule consists of 13 single bonds, 4 double bonds, 8 rotatable bonds, and 22 aromatic bonds.",Cc1cc2cc(SOOO)c(N=NBN=Nc3ccc4c(S(=O)(=O)[O-])cccc4c3)c(O)c2cc1C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ester group, and 1 amide group.",COC(=O)C1CN(C(=O)Cc2cccc(C)c2)CC1C
AddComponent,Please add a benzene ring to the molecule N#CCS(=O)(=O)NC1CCC(O)C1.,N#CCS(=O)(=O)NC1CCC(O)C1c1ccccc1
SubComponent,Please substitute a halo in the molecule CCCCCCCCO[Al-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F with a nitro.,CCCCCCCCO[Al-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1NO
DelComponent,Modify the molecule Cc1nn2c(=O)cc(CSc3ccccc3NC(=O)COc3ccc(C)c(C)c3)nc2s1 by removing a benzene ring.,Cc1nn2c(=O)cc(CSNC(=O)COc3ccc(C)c(C)c3)nc2s1
LogP,Optimize the molecule OC1(C[NH2+]C2CCc3c(Br)cccc32)CCC1 to have a higher LogP value.,FC1(C[NH2+]C2CCc3c(Br)cccc32)CCC1
MR,Modify the molecule O=C1CC(C2CCCCN2C(=O)NC2CCOC2C2CC2)CN1 to have a higher MR value.,O=C1CC(C2CC(c3ccccc3)CCN2C(=O)NC2CCOC2C2CC2)CN1
QED,Modify the molecule CCCCC([NH2+]C(C)CC(=O)N(C)Cc1ccccc1Cl)C(=O)[O-] to have a lower QED value.,CCCCC([NH2+]C(C)C(O)C(=O)N(C)Cc1ccccc1Cl)C(=O)[O-]
AtomNum,"There is a molecule composed of 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",OC1CCCCC1[NH+]1CCCC([NH+]2CCCC2)CC1
BondNum,"The molecule consists of 46 single bonds, 6 double bonds, and 15 rotatable bonds.",[CH]C(NC(=O)C1CC(C)CCN1C(=O)C(NC(=O)CC(C)C1CCCCC1)C(C)C)C(=O)N1CCCC1C(=O)NC(C(=O)NCCC)C(C)O
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 amine groups, and 3 halo groups.",NC(=[NH2+])c1ccc(Cl)cc1OCC(F)(F)c1ccccc1
AddComponent,Please add a thiol to the molecule CC(c1ccccc1)N1CC(C(=O)N2CCC(NC(=O)OCCCl)CC2)CC1=O.,CC(c1ccccc1)N1CC(C(=O)N2CCC(NC(=O)OCCCl)C(S)C2)CC1=O
SubComponent,Substitute a halo in the molecule C=CCN1C(=O)C(Cc2cccc(C(F)(F)F)c2)SC1=[NH+]N=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 with a nitrile.,C=CCN1C(=O)C(Cc2cccc(C(F)(F)C#N)c2)SC1=[NH+]N=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
DelComponent,Remove a benzene ring from the molecule CCCOCC1CC2(CC(C)(c3csc(Cc4ccccc4OC)n3)OC2=O)C(=O)O1.,CCCOCC1CC2(CC(C)(c3csc(COC)n3)OC2=O)C(=O)O1
LogP,Optimize the molecule O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)C(c2ccc(Cl)cc2Cl)C1=C([O-])c1ccc2c(c1)OCCO2 to have a higher LogP value.,[O-]C(=C(c1nnc(SCc2ccccc2F)s1)C(O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2
MR,Modify the molecule C[NH+]1CCCC(O)(c2cc(Br)ccc2F)C1 to decrease its MR value.,C[NH+]1CCCC(O)(c2ccccc2F)C1
QED,Modify the molecule CC(C[NH+]1CCCCC1)Nc1nccc(OC(C)C)n1 to have a lower QED value.,CC(C[NH+]1CCCCC1c1ccccc1)Nc1nccc(OC(C)C)n1
AtomNum,"Please generate a molecule with 12 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCC(O)(CC)C[NH2+]C(C)c1cn[nH]c1C
BondNum,"There is a molecule consisting of 8 single bonds, 3 rotatable bonds, and 16 aromatic bonds.",COc1cc(OC)n2c(N)c(-c3cc(C)ccc3C)nc2n1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amine group, 3 halo groups, and 2 sulfone groups.",Cc1ccnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)n1
AddComponent,Modify the molecule CC(C)(CCO)CN1C(=O)C2CCCC2C1=O by adding a hydroxyl.,CC(C)(CCO)CN1C(=O)C2CCC(O)C2C1=O
SubComponent,Substitute a halo in the molecule COc1ccccc1CCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 with a nitrile.,COc1ccccc1CCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1
DelComponent,Modify the molecule benzene ring by removing a CCC(=O)NCCOc1cccc2ncnc(Nc3ccc(O)c(Cl)c3)c12.,CCC(=O)NCCOc1cccc2ncnc(N(O)Cl)c12
LogP,Modify the molecule CC1C([NH3+])C=C(C(=O)OC(c2ccccc2)c2ccccc2)OC1C(O)C(O)CO to decrease its LogP value.,CC1C([NH3+])C=C(C(=O)OCc2ccccc2)OC1C(O)C(O)CO
MR,Modify the molecule Cc1nc2ccccc2nc1Cn1nnc(-c2ccc(Br)cc2)n1 to decrease its MR value.,Cc1nc2ccccc2nc1Cn1nnc(-c2ccc(C#N)cc2)n1
QED,Please modify the molecule CCCC(C)NC(=O)CN(C)S(=O)(=O)N(C)C to decrease its QED value.,CCCC(C)NC(=O)CN(CO)S(=O)(=O)N(C)C
AtomNum,"There is a molecule composed of 26 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
BondNum,"Please generate a molecule composed of 15 single bonds, 2 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(C(=O)N2CCC3(CC2)CC(c2cccnc2)C(=O)N3)c1
FunctionalGroup,Please generate a molecule with and 1 sulfone group.,CCS(=O)(=O)N1CCCC1c1cc(C)no1
AddComponent,Modify the molecule Cc1cc(C)c(C[NH+](C)CC2CC[NH2+]CC2)cc1C by adding a benzene ring.,Cc1cc(C)c(C[NH+](C)CC2(c3ccccc3)CC[NH2+]CC2)cc1C
SubComponent,Substitute a Cn1cc(C[NH+](C)Cc2coc(-c3cccc(F)c3)n2)cn1 in the molecule halo with a hydroxyl.,Cn1cc(C[NH+](C)Cc2coc(-c3cccc(O)c3)n2)cn1
DelComponent,Modify the molecule halo by removing a CC1(C)ONC(c2ccc(F)cc2)(c2ccc(F)cc2)C1(c1cn(-c2cccc(C(F)(F)F)c2)cn1)c1cn(-c2cccc(C(F)(F)F)c2)cn1.,CC1(C)ONC(c2ccccc2)(c2ccc(F)cc2)C1(c1cn(-c2cccc(C(F)(F)F)c2)cn1)c1cn(-c2cccc(C(F)(F)F)c2)cn1
LogP,Please optimize the molecule CCC(Nc1c(C)cccc1Cl)c1ccc(O)cc1 to have a lower LogP value.,CCC(c1ccc(O)cc1)N(C)Cl
MR,Modify the molecule COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)CCCC4)c(OC)c1 to increase its MR value.,COc1cc(OC)c(-n2c(=O)c3c4c(sc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)CCCC4)cc1N
QED,Please optimize the molecule Cc1ccc(NCC2OCCc3ccccc32)cc1 to have a lower QED value.,CNCC1OCCc2ccccc21
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 6 oxygen atoms, 4 nitrogen atoms, and 4 fluorine atoms.",CNC(=O)Nc1ccc2c(c1)C(O)CCC21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C(C2CC2)C(F)(F)F)C1=O
BondNum,"Please generate a molecule composed of 13 single bonds, 2 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",CCOC(=O)COc1ccc(-c2nnn(CC(=O)Nc3c(C)cccc3C)n2)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 1 halo group, and 1 sulfone group.",CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1
AddComponent,Modify the molecule CC(=O)N(CC[NH+](C)C)CC(=O)Nc1ccccc1OC(C)C by adding a benzene ring.,CC(=O)N(CC[NH+](C)C)CC(=O)Nc1ccccc1OC(C)Cc1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CSCCC(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C([NH3+])C(C)O)C(=O)[O-] with a carboxyl.,CSCCC(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C([NH3+])C(C)C(=O)[OH])C(=O)[O-]
DelComponent,Modify the molecule CCN(CC#N)C(=O)c1ccc(Br)c(F)c1 by removing a nitrile.,CCN(C)C(=O)c1ccc(Br)c(F)c1
LogP,Optimize the molecule NC(=S)C1CCC[NH+](CCOc2ccc(Br)cc2)C1 to have a lower LogP value.,NC(=S)C1CCC[NH+](CCOc2ccccc2)C1
MR,Please modify the molecule C[NH+]1CCCCC1COc1cc(NN)ncn1 to decrease its MR value.,C[NH+]1CCCCC1COc1cc(N)ncn1
QED,Please modify the molecule CCN(Cc1cccc2c1OCCO2)C(=O)C=Cc1c(F)cccc1F to increase its QED value.,CCC(Cc1c(F)cccc1F)c1cccc2c1OCCO2
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",OC1CCCOC12CCN(c1cc(N3CCOCC3)ncn1)CC2
BondNum,"The molecule contains 10 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",Cc1nc(SC(C)c2cc(F)ccc2F)sc1CC(N)=O
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 halo group.",CCOc1cccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n1
AddComponent,Please add a benzene ring to the molecule Nc1cccnc1S(=O)(=O)NCCC1CCC1.,Nc1cccnc1S(=O)(=O)NCCC1CCC1c1ccccc1
SubComponent,Please substitute a halo in the molecule C[NH+]1CCC(c2ccc(C(F)(F)F)cc2N2CCC(C(=O)[O-])CC2)CC1 with a aldehyde.,CC(=O)C(F)(F)c1ccc(C2CC[NH+](C)CC2)c(N2CCC(C(=O)[O-])CC2)c1
DelComponent,Please remove a COc1ccc2c(c1OC)OC1(CCN(C(=O)c3ccnc(NC(C)=O)c3)CC1)CC2=O from the molecule amide.,COc1ccc2c(c1OC)OC1(CCN(C(=O)c3ccncc3)CC1)CC2=O
LogP,Please modify the molecule CC([NH2+]Cc1cc(Br)ccc1F)c1ccccc1Br to decrease its LogP value.,CC([NH2+]C(F)Br)c1ccccc1Br
MR,Modify the molecule C[NH2+]C(C)(C)C(=O)Nc1cc(OC)ccc1O to have a higher MR value.,C[NH2+]C(C)(C)C(=O)Nc1cc(OC)ccc1S
QED,Modify the molecule O=c1cc2c(nn1CC[NH+]1CCCCC1CNc1ncnc3c1COCC3)CCCC2 to have a higher QED value.,O=c1cc2c(nn1CC[NH+]1CCCCC1Cc1ncnc3c1COCC3)CCCC2
AtomNum,"The molecule contains 13 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COc1cccc(C(=O)c2ccsc2C)c1N
BondNum,"Please generate a molecule consisting 22 single bonds, 4 double bonds, 14 rotatable bonds, and 18 aromatic bonds.",CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)C(CC)C(=O)NCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1
FunctionalGroup,There is a molecule composed of and 1 nitrile group.,CCC(C#N)Oc1ccc2c(c1)CCC2[NH2+]C
AddComponent,Please add a hydroxyl to the molecule COc1ccc(C(N)=S)c(N2CCn3cnnc3C2)c1.,COc1cc(O)c(C(N)=S)c(N2CCn3cnnc3C2)c1
SubComponent,Substitute a halo in the molecule O=C(Nc1ccc(Cl)cc1)C12CCCCC1C[NH2+]C2 with a carboxyl.,O=C([OH])c1ccc(NC(=O)C23CCCCC2C[NH2+]C3)cc1
DelComponent,Remove a nitrile from the molecule CC(C)(C)OC(=O)NC(CN1C(=O)C2CC1CN2C(=O)c1cnccn1)C(=O)N1CCCC1C#N.,CC(C)(C)OC(=O)NC(CN1C(=O)C2CC1CN2C(=O)c1cnccn1)C(=O)N1CCCC1
LogP,Modify the molecule CC(=O)N1c2ccc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2C(NC(=O)[O-])CC1C to decrease its LogP value.,CC(=O)N1c2ccc3c(ccn3S(C)(=O)=O)c2C(NC(=O)[O-])CC1C
MR,Optimize the molecule CCc1nc(C[NH+]2CCC([NH+]3CCCC3C(N)=O)CC2)no1 to have a higher MR value.,CCc1nc(C(C(=O)O)[NH+]2CCC([NH+]3CCCC3C(N)=O)CC2)no1
QED,Please modify the molecule CC(O)(CNC(=O)Cc1cccc2cccnc12)c1cccs1 to decrease its QED value.,CC(CNC(=O)Cc1cccc2cccnc12)(NO)c1cccs1
AtomNum,"Please generate a molecule with 25 carbon atoms, and 5 oxygen atoms.",CCOc1ccc(CC)cc1C=CC(=O)c1c(OCC)ccc(OCC)c1OCC
BondNum,"There is a molecule composed of 15 single bonds, 2 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C(=O)N2CCC3C(C2)C(c2ccccc2)C[NH+]3C)nc(=O)[nH]1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, 2 halo groups, and 1 sulfone group.",CC(C)n1c(-c2ccc(F)cc2Cl)nnc1S(N)(=O)=O
AddComponent,Please add a benzene ring to the molecule CCc1cc(CCC(=O)c2sc(CC)c3c2CCC(C)(C)C3)cc(CC)c1OCCNC(=O)CO.,CCc1cc(CCC(=O)c2sc(CC)c3c2CCC(C)(C)C3)cc(CCc2ccccc2)c1OCCNC(=O)CO
SubComponent,Please substitute a hydroxyl in the molecule C=CC(CC(=O)N(C)CCO)c1ccccc1 with a halo.,C=CC(CC(=O)N(C)CCCl)c1ccccc1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(C(=O)N=C2C=CC(=NC(=O)c3ccc(C)cc3)C(Cl)=C2)cc1.,CC(=O)N=C1C=CC(=NC(=O)c2ccc(C)cc2)C(Cl)=C1
LogP,Modify the molecule CCCCCn1c2c(c(=O)n(CCCc3cnn(Cc4ccccc4F)c3)c1=O)CC(Cl)=N2 to have a higher LogP value.,CCCCCn1c2c(c(=O)n(CCCc3cnn(Cc4ccccc4S)c3)c1=O)CC(Cl)=N2
MR,Modify the molecule Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CC[NH2+]CC5)cc4)c3F)ccc2[nH]1 to have a lower MR value.,Cc1cc2c(F)c(Oc3ncnc(NN4CC[NH2+]CC4)c3F)ccc2[nH]1
QED,Please modify the molecule NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ccccc1Cl to increase its QED value.,NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ccccc1
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cn1cc(C(=O)CC(=O)c2nc3ccccc3n2C)cn1
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, and 8 rotatable bonds.",CCC(=O)CCCCC(C)COC
FunctionalGroup,"The molecule contains 2 thioether groups, and 1 sulfide group.",CC1CSC2(CCCCC2)[NH2+]1
AddComponent,Add a benzene ring to the molecule CC(C)C(NC(=O)CCCc1cccs1)c1nccn1C.,CC(Cc1ccccc1)C(NC(=O)CCCc1cccs1)c1nccn1C
SubComponent,Modify the molecule Cc1ccc(CC([NH3+])c2ccccc2F)cc1C by substituting a halo with a aldehyde.,CC(=O)c1ccccc1C([NH3+])Cc1ccc(C)c(C)c1
DelComponent,Modify the molecule halo by removing a COc1ccc(C(=O)Cc2[nH]nc3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)C3(C)C)c(NC(=O)C2CCC[NH+]2C)c1.,COc1ccc(C(=O)Cc2[nH]nc3c2CN(S(=O)(=O)c2cccc(F)c2)C3(C)C)c(NC(=O)C2CCC[NH+]2C)c1
LogP,Modify the molecule COC(N)=[NH+]C(c1ccc(OC)cc1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 to have a lower LogP value.,COC(N)=[NH+]C(c1ccc(OC)cc1)c1cccc(NC(=O)c2ccc(O)cn2)c1
MR,Please optimize the molecule CC(=O)c1ccc(Sc2ccc(C(=O)c3cc4ccccc4o3)cc2)cc1 to have a lower MR value.,CC(=O)c1ccc(SC(=O)c2cc3ccccc3o2)cc1
QED,Modify the molecule CC1(C)COC(=O)N1C(=O)CSC#N to increase its QED value.,CC1(C)COC(=O)N1C(=O)CSC(=O)[OH]
AtomNum,"There is a molecule with 16 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CCOC(=O)N1CCN(C(=O)Cc2ccc(OC)c(Cl)c2)CC1
BondNum,"The molecule consists of 10 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCN(CCO)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 ketone group, 1 amide group, 1 amine group, and 2 halo groups.",NC(=O)c1ccc(CNc2ncc(C(=O)c3ccc(F)c(F)c3)cn2)cc1
AddComponent,Please add a hydroxyl to the molecule CC(C(N)=[NH+]O)N(C)C(=O)c1ccccc1Cl.,CC(C(N)=[NH+]O)N(C)C(=O)c1ccc(O)cc1Cl
SubComponent,Please substitute a halo in the molecule CC(C)N(Cc1nc(=O)c2ccccc2[nH]1)C(=O)CCOc1ccc(F)cc1 with a thiol.,CC(C)N(Cc1nc(=O)c2ccccc2[nH]1)C(=O)CCOc1ccc(S)cc1
DelComponent,Modify the molecule Cc1c(C(O)C[NH+]2CCC3(CC2)CC(C2CC2)N(C2=CC(=O)OC2)C3=O)ccc2c1COC2=O by removing a hydroxyl.,Cc1c(CC[NH+]2CCC3(CC2)CC(C2CC2)N(C2=CC(=O)OC2)C3=O)ccc2c1COC2=O
LogP,Modify the molecule CC(C)Oc1ccc(C(Br)CCC(F)(F)F)cc1 to have a higher LogP value.,CC(C)Oc1ccc(C(Br)CC(c2ccccc2)C(F)(F)F)cc1
MR,Please optimize the molecule COC(CNC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)C(=O)[O-] to have a higher MR value.,COC(CNC(=O)c1nnn(-c2cccc(NO)c2)c1C(F)(F)F)C(=O)[O-]
QED,Please optimize the molecule CCCCCc1cc([O-])c2c(c1)OC(C)(C)C(=CNNc1ccccc1)C2=O to have a lower QED value.,CCCCCc1cc([O-])c2c(c1O)OC(C)(C)C(=CNNc1ccccc1)C2=O
AtomNum,"There is a molecule composed of 21 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CC(=O)NCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1
BondNum,"Please generate a molecule composed of 29 single bonds, 3 double bonds, 12 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)CCCOc1ccc(CC(NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)[O-])cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 thioether group, and 1 sulfide group.",CCCCC(Sc1ccc(OCCCOc2ccccc2OC)cc1)C(=O)[O-]
AddComponent,Add a benzene ring to the molecule COC(=O)c1ccnc(N2CCCC2C)c1N.,COC(=O)c1c(-c2ccccc2)cnc(N2CCCC2C)c1N
SubComponent,Please substitute a CC(C)[NH+]1CC(C(=O)N2CCN(c3ccccc3CNc3cccnc3)CC2)C(c2ccc(Cl)cc2)C1 in the molecule halo with a hydroxyl.,CC(C)[NH+]1CC(C(=O)N2CCN(c3ccccc3CNc3cccnc3)CC2)C(c2ccc(O)cc2)C1
DelComponent,Please remove a O=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(NC(=O)C2CC2)c1 from the molecule amide.,CCc1cc(C(=O)Nc2cnccc2OCC(F)(F)F)ccn1
LogP,Please optimize the molecule COCC(C)NC(=O)COc1ccc(N)c2ncccc12 to have a lower LogP value.,COCC(C)NC(=O)COc1c(O)cc(N)c2ncccc12
MR,Optimize the molecule CCCOc1ccccc1-c1cc(C(=O)Cl)c(C2CC2)o1 to have a higher MR value.,CCCOc1ccccc1-c1cc(C(=O)C(=O)[OH])c(C2CC2)o1
QED,Modify the molecule CCC1CCCCN1C(=O)CCNc1cc(Cl)ccc1Cl to increase its QED value.,CCC1CCC(N)CN1C(=O)CCNc1cc(Cl)ccc1Cl
AtomNum,"The molecule consists of 13 carbon atoms, 3 oxygen atoms, and 1 phosphorus atom.",CCO[P+]([O-])(OCC)C1CC1c1ccccc1
BondNum,"The molecule consists of 5 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",Nc1[nH]ncc1CNC(=O)c1ncn[nH]1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, and 1 sulfoxide group.",COC(=O)Cc1ccc(S(=O)[O-])cc1
AddComponent,Modify the molecule CC(C)C1CCCCC1[NH+]1CCC([NH3+])CC1C by adding a benzene ring.,CC(C)C1CCCCC1[NH+]1CC(c2ccccc2)C([NH3+])CC1C
SubComponent,Please substitute a halo in the molecule O=C1CCC(=O)N1C(=S)Nc1c(F)c(F)cc(F)c1F with a hydroxyl.,O=C1CCC(=O)N1C(=S)Nc1c(O)c(F)cc(F)c1F
DelComponent,Remove a halo from the molecule COC(=O)c1ccn(-c2cccc(CCl)c2)c1C1CC1C([NH3+])=CP.,COC(=O)c1ccn(-c2cccc(C)c2)c1C1CC1C([NH3+])=CP
LogP,Please modify the molecule COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)cc1 to decrease its LogP value.,COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(O)c2)cc1
MR,Optimize the molecule [NH3+]CCNOC(=O)C([NH3+])CO to have a higher MR value.,[NH3+]CCNOC(=O)C([NH3+])CC(=O)[OH]
QED,Optimize the molecule CS(=O)(=O)N1CC(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)Oc2ccc(Cl)cc21 to have a lower QED value.,CS(=O)(=O)N1CC(C#N)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)Oc2ccc(Cl)cc21
AtomNum,"The molecule has 42 carbon atoms, and 12 oxygen atoms.",COc1ccccc1C(=O)OC12CC3(OC(=O)c4ccccc4CO)CC(OC(=O)c4ccccc4CO)(C1)CC(OC(=O)c1ccccc1OC)(C3)C2
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",O=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1cccc(C(F)(F)F)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 1 sulfide group.",CCCCNC(=O)c1ccc2c(c1)N=C(c1ccccc1)c1oncc1S2
AddComponent,Add a aldehyde to the molecule COc1ccccc1N1C(=O)C(=C2SC(=S)N(c3ccccc3OC)C2=O)SC1=S.,COc1ccccc1N1C(=O)C(=C2SC(=S)N(c3c(CC=O)cccc3OC)C2=O)SC1=S
SubComponent,Modify the molecule nitrile by substituting a N#CNC(=NCCc1ccccn1)N1CC(N2CCCC2=O)C(c2ccc(F)cc2)=N1 with a thiol.,O=C1CCCN1C1CN(C(=NCCc2ccccn2)NS)N=C1c1ccc(F)cc1
DelComponent,Modify the molecule hydroxyl by removing a OCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1.,CC1([NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1
LogP,Optimize the molecule O=C(NCCC1CC[NH2+]C1)c1ccc2cn[nH]c2c1 to have a lower LogP value.,O=C(NCCC1C[NH2+]C(O)C1)c1ccc2cn[nH]c2c1
MR,Modify the molecule NC(=O)NC(CCO)Cn1cnc2c(=O)nc(N)[nH]c21 to have a higher MR value.,NC(=O)NC(CCNO)Cn1cnc2c(=O)nc(N)[nH]c21
QED,Modify the molecule O=C([O-])N1CCN(CC(F)(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 to increase its QED value.,O=C([O-])N1CCN(CC(F)(F)Cn2c3ccccc3c3cc(Br)ccc32)CC1
AtomNum,"The molecule consists of 21 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",Fc1ccc(COc2ccccc2C(=NN2CCCC2)n2ccnc2)cc1
BondNum,"Please generate a molecule composed of 7 single bonds, 3 double bonds, 1 rotatable bond, and 6 aromatic bonds.",O=C([O-])C1=Nc2cc(O)ccc2C(=O)C1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, and 2 halo groups.",CC1=CC(C)CC(CNc2c(F)cccc2Cl)C1
AddComponent,Add a hydroxyl to the molecule CC(=O)OCC12C(=CC(=O)CC1C)CC(C)C1C3CCC(O)C3(C)CCC12.,CC(=O)OCC12C(=CC(=O)CC1C)CC(CO)C1C3CCC(O)C3(C)CCC12
SubComponent,Modify the molecule hydroxyl by substituting a COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C(=O)NCCCC(=O)[O-])ccc2[nH]1)C(F)(F)F with a nitrile.,COc1ccc(F)cc1C(C)(C)CC(C#N)(Cc1cc2cc(C(=O)NCCCC(=O)[O-])ccc2[nH]1)C(F)(F)F
DelComponent,Please remove a hydroxyl from the molecule Cc1[nH]c(SCc2nc3ccccc3[nH]2)nc(=O)c1CCO.,CCc1c(C)[nH]c(SCc2nc3ccccc3[nH]2)nc1=O
LogP,Please modify the molecule Cc1cccc2cc(C3(O)CC[NH+](C(C)C)CC3)oc12 to decrease its LogP value.,Cc1cc(O)cc2cc(C3(O)CC[NH+](C(C)C)CC3)oc12
MR,Optimize the molecule Cc1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1C to have a lower MR value.,Cc1ccc(NCc2ccc(OCc3ccccc3)c(C#N)c2)cc1C
QED,Modify the molecule O=C(c1ccccc1N1CCCC1)N(CCO)Cc1nccs1 to have a lower QED value.,O=C(c1ccccc1N1CCCC1)N(CCS)Cc1nccs1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 6 fluorine atoms.",CCC1=CC=C(C(F)(F)F)C=C(C2(O)CCN(C(=O)CCC(F)(F)F)CC2)C1
BondNum,"Please generate a molecule composed of 11 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",COc1cc(NC(=O)CCSc2ccc(Cl)cc2)cc(OC)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 2 halo groups.",COc1cc(F)c(CNC(=O)C2([NH3+])CC2)cc1F
AddComponent,Modify the molecule O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 by adding a amine.,Nc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1
SubComponent,Modify the molecule halo by substituting a CC(=O)Nc1c(C)c(F)c(N)c(F)c1F with a nitrile.,CC(=O)Nc1c(C)c(C#N)c(N)c(F)c1F
DelComponent,Remove a benzene ring from the molecule CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccc(-c5cccc6ccccc56)cc34)cc21.,CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccc(-c5cccc6ccccc56)cc34)cc21
LogP,Please modify the molecule Cc1ncc(CO[N+](=O)[O-])cc1OC(=O)c1ccccc1O to decrease its LogP value.,Cc1ncc(CO[N+](=O)[O-])cc1OC(=O)O
MR,Modify the molecule c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4c5c(ccc43)sc3ccccc35)cc12 to have a higher MR value.,Oc1cc(-n2c3ccccc3c3c4c(ccc32)sc2ccccc24)cc2c1sc1ccccc12
QED,Please optimize the molecule COCCNC(=O)N1CCCC(NC(=O)c2ccc(Cl)s2)C1 to have a lower QED value.,COCCNC(=O)N1CCCC(NC(=O)c2ccc(NO)s2)C1
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",Cc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CNC(=O)N4)cs2)s1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 1 halo group.",Cc1ccc(C(=O)Nc2ncccc2C)c(Br)c1
AddComponent,Modify the molecule CCCS(=O)(=O)CC1C2CCC(O2)C1CC=CCCC(C)(C)C(=O)N(C)O by adding a benzene ring.,CCCS(=O)(=O)CC1C2CCC(O2)C1CC=CCCC(C)(C)C(=O)N(O)Cc1ccccc1
SubComponent,Modify the molecule CCOCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(OC(C)C)cc2)C1=O by substituting a halo with a hydroxyl.,CCOCCCN1C(=O)C(Nc2cccc(O)c2)=C(c2ccc(OC(C)C)cc2)C1=O
DelComponent,Modify the molecule hydroxyl by removing a CCOC(=O)c1nc2c(CO)cccn2c1N=O.,CCOC(=O)c1nc2c(C)cccn2c1N=O
LogP,Optimize the molecule CCOC(=O)CC(=O)C[NH+](C)C1CC[NH+](CC)CC1 to have a higher LogP value.,CCOC(=O)CC(=O)C(c1ccccc1)[NH+](C)C1CC[NH+](CC)CC1
MR,Optimize the molecule CCCCOC(Cc1ccc(CC)cc1)C(=O)[O-] to have a lower MR value.,CCCCOC(CCC)C(=O)[O-]
QED,Please optimize the molecule CC(C)(C)C(C[NH3+])Oc1ccccc1CO to have a lower QED value.,CC(C)(C)C(C[NH3+])OCO
AtomNum,"The molecule contains 13 carbon atoms, 4 nitrogen atoms, and 1 iodine atom.",CC(C)C[NH2+]Cc1ccnc(-n2cc(I)cn2)c1
BondNum,"The molecule is composed of 11 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CC(C)CNc1nc(CSC(C)(C)C)ns1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",Cc1c(Cl)cccc1Nc1ccc(C(=O)N2CC[NH+](C)CC2)nn1
AddComponent,Please add a hydroxyl to the molecule Cc1cc(C)c(C[NH+]2CCN(C)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)c3csc(n3)C(Cc3ccccc3)NC(=O)C2)c(-n2cccn2)c1.,Cc1cc(C)c(C[NH+]2CCN(C)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)c3csc(n3)C(Cc3ccccc3O)NC(=O)C2)c(-n2cccn2)c1
SubComponent,Substitute a halo in the molecule CC(C)CONC(=O)c1cccc(F)c1N with a nitrile.,CC(C)CONC(=O)c1cccc(C#N)c1N
DelComponent,Remove a hydroxyl from the molecule CCCN(CCC)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(CC)c2)cc(S(=O)(=O)CCCO)c1.,CCCN(CCC)C(=O)c1cc(C(=O)NC(CC[NH2+]Cc2cccc(CC)c2)Cc2cc(F)cc(F)c2)cc(S(=O)(=O)CCCO)c1
LogP,Please optimize the molecule CCCc1c(C(=O)OCC)[nH]c(C(=O)[O-])c1C(=O)OCc1ccccc1 to have a lower LogP value.,CCCc1c(C(=O)OCC)[nH]c(C(=O)[O-])c1C(=O)OC(O)c1ccccc1
MR,Modify the molecule COc1ccc2nccc(C(F)CCC3CC[NH+](CC#Cc4ccn(C)c4)CC3CCC(=O)[O-])c2c1 to increase its MR value.,COc1ccc2nccc(C(CCC3CC[NH+](CC#Cc4ccn(C)c4)CC3CCC(=O)[O-])NO)c2c1
QED,Modify the molecule C=CCC(=O)NCC1Cc2cc(-c3ccc(C)cn3)ccc2O1 to decrease its QED value.,C=CCC(=O)NCC1(C#N)Cc2cc(-c3ccc(C)cn3)ccc2O1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",Cc1cc(F)ccc1C(=O)OCc1nnc(C)n1C1CC1
BondNum,"The molecule is composed of 16 single bonds, 2 rotatable bonds, and 10 aromatic bonds.",Cn1ncc2c(N3CC[NH+](C)CC3)nc(N3CCCCC3)nc21
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, and 1 amide group.",CCc1cccc(C)c1NC(=O)C(=Cc1ccc(OC)cc1)c1ccccc1
AddComponent,Add a thiol to the molecule CCC(O)C[NH+](C)Cc1cccc(OC(F)(F)F)c1.,CCC(O)C[NH+](C)Cc1cc(S)cc(OC(F)(F)F)c1
SubComponent,Substitute a CC(NC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)N3CCCC3)ccc2Cl)CC1)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C in the molecule halo with a nitro.,CC(NC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)N3CCCC3)ccc2NO)CC1)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C
DelComponent,Modify the molecule Cc1cc(NC2=[NH+]C(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(I)c3)S2)cc(C)c1Br by removing a benzene ring.,Cc1cc(NC2=[NH+]C(=O)C(=C(Br)[IH]OCc3ccccc3)S2)cc(C)c1Br
LogP,Please modify the molecule O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)OCc1c(F)cccc1Cl to decrease its LogP value.,ONc1ccc(-c2nnn(CC(=O)OCc3c(F)cccc3Cl)n2)cc1
MR,Optimize the molecule CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)s1 to have a higher MR value.,CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(C(=O)[OH])c3)cc2)s1
QED,Optimize the molecule CCCC[NH+](C=CC(=O)N1CCCC1)Cc1ccc(COC(=O)c2ccc(OC)cc2)cc1I to have a lower QED value.,CCCC[NH+](C=CC(=O)N1CCCC1)Cc1cc(-c2ccccc2)c(COC(=O)c2ccc(OC)cc2)cc1I
AtomNum,"Please generate a molecule with 7 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",CNC1CCCCC1S(=O)(=O)Cl
BondNum,"There is a molecule with 19 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCS(=O)(=O)N1CCN(c2nc(C(C)C)nc(COC)c2Cc2ccccc2F)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amine group.",Cc1ccc(C)c(NC(=S)N2CCC([NH+](C)C3CCCCC3)CC2)c1
AddComponent,Modify the molecule CC(=O)N1CC[NH+](CC(O)Oc2ccc(C3c4[nH]c5ccc(Cl)cc5c4CCN3C(=O)Oc3ccc(Cl)cc3)cc2)CC1 by adding a carboxyl.,CC(=O)N1CC[NH+](CC(O)Oc2ccc(C3c4[nH]c5ccc(Cl)cc5c4CCN3C(=O)Oc3ccc(Cl)cc3)c(C(=O)O)c2)CC1
SubComponent,Please substitute a halo in the molecule O=C([O-])c1nccc(OCc2ccc(Cl)cc2)c1O with a thiol.,O=C([O-])c1nccc(OCc2ccc(S)cc2)c1O
DelComponent,Remove a amine from the molecule Nc1cnc(-c2ccc(-c3ccccc3C3(NS(=O)[O-])CC3)cc2F)cn1.,Nc1cnc(-c2ccc(-c3ccccc3C3(S(=O)[O-])CC3)cc2F)cn1
LogP,Please optimize the molecule CCCC(C=C1C=CC(=[N+]2CCCC2)C=C1)=CC=Cc1ccc(N2CCCC2)cc1 to have a lower LogP value.,CCCC(C=C1C=CC(=[N+]2CCCC2)C=C1)=CC=CN1CCCC1
MR,Optimize the molecule CCc1ccc(C(CC)(CC(=O)OC)C(C)[NH3+])cc1 to have a lower MR value.,CCC(CC)(CC(=O)OC)C(C)[NH3+]
QED,Modify the molecule CC1CC[NH2+]C(C)(c2ccccc2)CN1CCC(F)(F)F to have a lower QED value.,CC(=O)C(F)(F)CCN1CC(C)(c2ccccc2)[NH2+]CCC1C
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",O=C(NC(CC[NH+]1CC2CN(C(=O)c3c(F)cc(F)cc3F)CC2C1)c1ccccc1)C1CCCC1
BondNum,"The molecule consists of 10 single bonds, 3 double bonds, 1 rotatable bond, and 6 aromatic bonds.",COC(=O)c1cc2c(cc1C)C(C)(C)CS2(=O)=O
FunctionalGroup,"There is a molecule composed of 1 halo group, and 1 sulfide group.",CC(C)([NH3+])c1nc2ccc(Cl)cc2s1
AddComponent,Please add a hydroxyl to the molecule O=C(Nc1cccc(C(=O)[O-])c1)NC1CN(C2CCCCC2)c2ccccc2N(CC(=O)N2CCCC2)C1=O.,O=C(Nc1cccc(C(=O)[O-])c1)NC1CN(C2CCCCC2)c2ccccc2N(C(O)C(=O)N2CCCC2)C1=O
SubComponent,Please substitute a halo in the molecule CCc1csc2cc(Br)cc(Br)c12 with a aldehyde.,CC(=O)c1cc(Br)c2c(CC)csc2c1
DelComponent,Modify the molecule halo by removing a COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(C(F)(F)F)C(C)C4CC#N)cc3)c(C)c2)c1.,COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(C(F)F)C(C)C4CC#N)cc3)c(C)c2)c1
LogP,Modify the molecule CCc1nn(C)cc1CC(Br)C(=O)C1CC1 to have a lower LogP value.,CCc1nn(C)cc1CC(C(=O)[OH])C(=O)C1CC1
MR,Optimize the molecule Cc1nc(-c2ccc(NC(=O)CCBr)cc2)co1 to have a higher MR value.,CC(=O)CCC(=O)Nc1ccc(-c2coc(C)n2)cc1
QED,Please modify the molecule Cn1nnnc1SCCC(=O)N1CCN(c2ncccn2)CC1 to increase its QED value.,Cn1nnnc1SCC1CCN(c2ncccn2)C1
AtomNum,"Please generate a molecule composed of 26 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",C=C(C1CCCC1)N(C)c1ccc2cc(-c3n[nH]c(C)c3CCC(C)(C)CO)[nH]c2c1
BondNum,"The molecule consists of 4 single bonds, 1 triple bond, 1 rotatable bond, and 6 aromatic bonds.",COc1cc(C#N)c(F)cn1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, 1 halo group, and 1 nitrile group.",Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Oc1ccc(N)cn1
AddComponent,Please add a carboxyl to the molecule C[NH2+]C(Cc1ccn(C)n1)C1CCC(C(C)(C)C)CC1.,C[NH2+]C(Cc1nn(C)cc1C(=O)O)C1CCC(C(C)(C)C)CC1
SubComponent,Substitute a hydroxyl in the molecule Oc1cccn2c(C3CCCCCC3)c[nH+]c12 with a aldehyde.,CC(=O)c1cccn2c(C3CCCCCC3)c[nH+]c12
DelComponent,Remove a O=[N+]([O-])c1ccc(NNc2ccc3ccccc3c2)c([N+](=O)[O-])c1 from the molecule amine.,O=[N+]([O-])c1ccc(Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1
LogP,Please modify the molecule c1ccc(C(=NCCCCN=C(c2ccccc2)c2ccccn2)c2ccccn2)cc1 to increase its LogP value.,c1ccc(C(=NCCCCN=C(c2ccccc2)c2cc(-c3ccccc3)ccn2)c2ccccn2)cc1
MR,Modify the molecule CCC(CC)(CNC(=O)COCCOC)C(=O)[O-] to decrease its MR value.,CCC(CC)(COCCOC)C(=O)[O-]
QED,Please optimize the molecule C=CCOc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(Br)cc1OC to have a higher QED value.,C=CCOc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(O)cc1OC
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)n1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O
BondNum,"Please generate a molecule consisting 21 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",COc1c2c(cc3c1C(C=C(Cc1ccc(OC(C)C)cc1)N[O-])[NH+](C)CC3)OCO2
FunctionalGroup,The molecule contains and 1 nitrile group.,COc1ccc(C2C(C#N)=C([NH3+])Oc3n[nH]c(C(C)C)c32)c2ccccc12
AddComponent,Modify the molecule O=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1c1ccccc1 by adding a carboxyl.,O=C(O)c1cccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)NC2=S)c1
SubComponent,Modify the molecule halo by substituting a CCOc1ccc(NC(=O)COc2ccc(Br)cc2C(C)C)cc1 with a aldehyde.,CC(=O)c1ccc(OCC(=O)Nc2ccc(OCC)cc2)c(C(C)C)c1
DelComponent,Please remove a amide from the molecule CCC(C[NH3+])C(=O)NCCc1ccccn1.,CC(C[NH3+])CCc1ccccn1
LogP,Please optimize the molecule Cc1cc(C)c(OC(=O)C2C(C(C)(C)C(=O)Oc3c(C)cc(C)cc3C)C2(F)F)c(C)c1 to have a lower LogP value.,Cc1cc(C)c(OC(=O)C2C(C(C)(C)C(=O)Oc3c(C)cc(C)cc3C)C2(F)C#N)c(C)c1
MR,Please optimize the molecule CCC(C)C(O)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1 to have a lower MR value.,CCC(C)C(O)CNC(=O)c1cnn(-c2ccccc2)c1
QED,Please modify the molecule COc1cc(Br)ccc1C(=O)N1CCC(OC)CC1C[NH3+] to decrease its QED value.,COc1cc(Br)ccc1C(=O)N1CCC(OC)C(O)C1C[NH3+]
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",CCOc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)s2)cc1
BondNum,"The molecule consists of 11 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CCCCNC(=O)CCNc1ccc(C)c(Br)c1
FunctionalGroup,"Please generate a molecule with 1 amide group, 1 amine group, 1 halo group, 1 sulfide group, and 1 sulfone group.",CS(=O)(=O)NCCNC(=O)c1csc(Br)c1
AddComponent,Add a hydroxyl to the molecule CC1(C)CC(=O)C(=CNc2ccccc2)C(=O)C1.,CC1(C)CC(=O)C(=CNc2ccccc2O)C(=O)C1
SubComponent,Substitute a halo in the molecule O=C(NCC1(C(=O)[O-])CCOCC1)C1CC1c1cccc(Cl)c1Cl with a thiol.,O=C(NCC1(C(=O)[O-])CCOCC1)C1CC1c1cccc(S)c1Cl
DelComponent,Please remove a O=C(CN1C(=O)C(=O)N(C2CCCCC2)C1=O)Nc1cccc(N2CCCC2=O)c1 from the molecule amide.,O=C(Nc1cccc(N2CCCC2=O)c1)C1OC(=O)N1C1CCCCC1
LogP,Optimize the molecule CCCCn1c(C)ccc1C to have a higher LogP value.,CCCCn1c(C)cc(-c2ccccc2)c1C
MR,Please modify the molecule CCNC(=O)C(C)[NH2+]C(C)c1c(C)cc(C)nc1C to decrease its MR value.,CCC[NH2+]C(C)c1c(C)cc(C)nc1C
QED,Please modify the molecule Cc1oc(NC(=O)C2CC2)c(C#N)c1C to decrease its QED value.,Cc1cc(NC(=O)C2CC2)oc1C
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",NC(=O)On1ccc(-c2ccccc2[N+](=O)[O-])n1
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCN(C)C=[NH+]c1cc(C)c(C(C)N=Nc2ccccc2F)cc1C
FunctionalGroup,"The molecule contains 4 benzene ring groups, 5 amide groups, and 1 halo group.",COc1ccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)Nc5ccc(F)cc5)ccc4C)CC3)cc2)cc1
AddComponent,Modify the molecule COC(=O)CCCS(=O)(=O)N(Cc1ccccn1)C(C)C by adding a benzene ring.,COC(=O)CCCS(=O)(=O)N(Cc1ccc(-c2ccccc2)cn1)C(C)C
SubComponent,Please substitute a halo in the molecule C[NH+]1CCN(c2cccc(Nc3ncc(F)c(N(c4ccc5c(n4)NCCO5)C4CCCCC4)n3)c2)CC1 with a nitrile.,C[NH+]1CCN(c2cccc(Nc3ncc(C#N)c(N(c4ccc5c(n4)NCCO5)C4CCCCC4)n3)c2)CC1
DelComponent,Please remove a hydroxyl from the molecule CCC(CC1CC1)[NH2+]CCOc1ccc(C(N)=[NH+]O)cc1.,CCC(CC1CC1)[NH2+]CCOc1ccc(C(=[NH+])N)cc1
LogP,Please modify the molecule CC1CC1C[NH+](C)C1CCc2ccccc2NC1 to increase its LogP value.,CC1CC1C[NH+](C)C1CCc2ccccc2C1
MR,Modify the molecule Cc1ccc(NCc2ccc(Br)o2)cc1I to have a higher MR value.,Cc1ccc(NCc2ccc(Br)o2)c(O)c1I
QED,Please modify the molecule COc1ccc(N2CC(C(=O)N3CCN(c4cccnn4)CC3)CC2=O)cc1 to increase its QED value.,COc1ccc(N2CC3CN(c4cccnn4)CCC3C2=O)cc1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CNc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1C[NH+](C)C
BondNum,"The molecule contains 13 single bonds, 6 double bonds, 7 rotatable bonds, and 24 aromatic bonds.",NNC(=O)c1ccc(N2C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)cc3)[NH+]=C2c2ccccc2)cc1
FunctionalGroup,There is a molecule composed of and 1 sulfone group.,O=S(=O)(c1cccc2nonc12)n1ccc2c(N3CC[NH2+]CC3)cccc21
AddComponent,Please add a hydroxyl to the molecule C[NH2+]CC(=O)NC(C)C(=O)N(C)C.,C[NH2+]CC(=O)NC(C)(O)C(=O)N(C)C
SubComponent,Please substitute a halo in the molecule CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1ccc(Cl)cc1 with a nitrile.,CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1ccc(C#N)cc1
DelComponent,Please remove a halo from the molecule CCOc1ccc(S(=O)(=O)N2Cc3cnc(N)nc3C2)cc1F.,CCOc1ccc(S(=O)(=O)N2Cc3cnc(N)nc3C2)cc1
LogP,Please optimize the molecule CCC[NH2+]C1CCC(C)(Cc2ccc(C)cc2Cl)C1 to have a lower LogP value.,CCC[NH2+]C1CCC(C)(Cc2ccc(C)cc2C(=O)[OH])C1
MR,Modify the molecule Cc1nc2cc(C(F)(F)F)ccc2n1C1CC[NH+](Cc2nnnn2CCc2ccccc2)CC1 to increase its MR value.,Cc1nc2cc(C(F)(F)NO)ccc2n1C1CC[NH+](Cc2nnnn2CCc2ccccc2)CC1
QED,Modify the molecule CC(C(=O)NCCNC(=O)C1CC1)C1CCOCC1 to decrease its QED value.,CC(C(=O)NCCNC(=O)C1CC1)C1CCOCC1C#N
AtomNum,"There is a molecule consisting of 22 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CSc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC[NH+](C)C)n2)c1
BondNum,"There is a molecule composed of 16 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1C
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, and 1 amide group.",CC(C)CC(O)CNC(=O)c1cccc2c1CC[NH2+]C2
AddComponent,Modify the molecule COC1CCN(C(=O)C2CCCCS2)CC1(C)C by adding a hydroxyl.,COC1(O)CCN(C(=O)C2CCCCS2)CC1(C)C
SubComponent,Substitute a halo in the molecule CCCCCOC(=O)c1ccc(C(=O)OCc2cccc(Cl)c2)cc1 with a hydroxyl.,CCCCCOC(=O)c1ccc(C(=O)OCc2cccc(O)c2)cc1
DelComponent,Remove a nitrile from the molecule N#CC(C#N)=Cc1cn(Cc2cnc(Cl)s2)c2ccccc12.,N#CC=Cc1cn(Cc2cnc(Cl)s2)c2ccccc12
LogP,Optimize the molecule N#Cc1ccccc1-n1c(CCl)nc2ccc(Br)cc21 to have a higher LogP value.,Fc1ccccc1-n1c(CCl)nc2ccc(Br)cc21
MR,Please optimize the molecule CC1C[NH2+]CC1C(=O)N1CC(CC(=O)[O-])c2ccccc21 to have a higher MR value.,CC1C[NH2+]CC1C(=O)N1CC(CC(=O)[O-])c2cccc(-c3ccccc3)c21
QED,Modify the molecule Cc1nc(CSc2ccccc2C(=O)Nc2cc3c(cc2Cl)OCCO3)cs1 to have a higher QED value.,Cc1nc(CSC(=O)Nc2cc3c(cc2Cl)OCCO3)cs1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC(C)(C)c1ccc(Nc2cc(F)cc(C#N)c2)cc1
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cn[nH]n1
FunctionalGroup,"Please generate a molecule composed of 1 amide group, and 1 sulfide group.",CCOCC(=O)NCCn1nc(-c2cccs2)ccc1=O
AddComponent,Modify the molecule COc1cccc(NC(=O)C(=O)NCC(c2ccco2)[NH+](C)C)c1 by adding a hydroxyl.,COc1cccc(NC(=O)C(=O)NCC(c2cc(O)co2)[NH+](C)C)c1
SubComponent,Substitute a halo in the molecule COCC(CC1C[NH+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C)Oc1ccc(Cl)cc1Br with a hydroxyl.,COCC(CC1C[NH+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C)Oc1ccc(O)cc1Br
DelComponent,Modify the molecule halo by removing a CCN(CC(F)(F)F)C(=O)N(C)C(C)(C)C(=O)[O-].,CCN(CC(F)F)C(=O)N(C)C(C)(C)C(=O)[O-]
LogP,Optimize the molecule COc1cccc(C(=O)COC(=O)c2cc(-c3ccc(N4C(=O)C5CCC(C)CC5C4=O)cc3)nc3ccc(Br)cc23)c1 to have a higher LogP value.,COc1cccc(C(=O)C(S)OC(=O)c2cc(-c3ccc(N4C(=O)C5CCC(C)CC5C4=O)cc3)nc3ccc(Br)cc23)c1
MR,Optimize the molecule CC(=O)NC1CC(C(=O)[O-])[NH+](CC2(O)CCN(c3cccc(C)c3)CC2)C1c1ccccc1 to have a higher MR value.,CC(=O)NC1CC(C(=O)[O-])[NH+](CC2(C#N)CCN(c3cccc(C)c3)CC2)C1c1ccccc1
QED,Optimize the molecule C=CCNC(=O)C(=O)C(CC1CCC1)NC(=O)C1C(C(C)(C)C)CCN1C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCC1 to have a higher QED value.,C=CC(O)C(CC1CCC1)NC(=O)C1C(C(C)(C)C)CCN1C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C1(C)CCCC1
AtomNum,"The molecule contains 16 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(S(=O)(=O)C(=[N+]=[N-])C(=O)c2ccc(C#N)cc2)cc1
BondNum,"The molecule is composed of 15 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1N1CCN(C(=O)NCc2ncc(C)cc2C)CC1
FunctionalGroup,"Please generate a molecule with 2 amide groups, and 1 halo group.",CC(NC(=O)c1ccnc(Br)c1)C(=O)NC1CC1
AddComponent,Add a hydroxyl to the molecule O=C(C(O)c1ccccc1)N1CC2CCCC2C1.,O=C(C(O)c1ccc(O)cc1)N1CC2CCCC2C1
SubComponent,Substitute a halo in the molecule O=C(CCl)NNC(=O)c1ccc(N2C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)cc3)[NH+]=C2c2ccccc2)cc1 with a nitrile.,N#CCC(=O)NNC(=O)c1ccc(N2C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)cc3)[NH+]=C2c2ccccc2)cc1
DelComponent,Please remove a hydroxyl from the molecule NC(=[NH+]O)c1ccc(N2CCC(O)C2)c(F)c1Br.,[NH+]=C(N)c1ccc(N2CCC(O)C2)c(F)c1Br
LogP,Please modify the molecule CN(c1nc2c(cc1C#N)CCCC2)C1CCSC1 to increase its LogP value.,CN(c1nc2c(cc1Cl)CCCC2)C1CCSC1
MR,Please modify the molecule CON=C(COC(=O)c1ccccc1)C(COC(=O)c1ccccc1)(OC)OO to increase its MR value.,CON=C(COC(=O)c1ccc(N)cc1)C(COC(=O)c1ccccc1)(OC)OO
QED,Modify the molecule CCC[NH2+]Cc1ccc(S(=O)(=O)NCCC(F)(F)F)nc1 to have a lower QED value.,CCC[NH2+]Cc1ccc(S(=O)(=O)NCCC(F)(F)C(=O)[OH])nc1
AtomNum,"The molecule contains 24 carbon atoms, 6 oxygen atoms, and 5 nitrogen atoms.",Cn1c(=O)c(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(N)n(Cc2ccccc2)c1=O
BondNum,"The molecule contains 21 single bonds, 5 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",CN(C)c1ccc(CNC(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 2 halo groups.",CCN(C(=O)c1ccc(F)c(Br)c1)C1CC[NH2+]C1
AddComponent,Modify the molecule CC1CC[NH+](CC(=O)c2ccc3c(c2)-c2ccc(C(=O)C[NH+]4CCC(C)CC4)c4cccc-3c24)CC1 by adding a aldehyde.,CC1CC[NH+](CC(=O)c2ccc3c4c(cccc24)-c2ccc(C(=O)C[NH+]4CCC(C)CC4CC=O)cc2-3)CC1
SubComponent,Please substitute a halo in the molecule CC1c2ccsc2CCN1C(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1 with a hydroxyl.,CC1c2ccsc2CCN1C(=O)C1CCCN(C(=O)c2ccc(O)cc2)C1
DelComponent,Please remove a O=C(c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3CC2C[NH+]2CCOCC2)n2c1CCCC2)N(c1ccccc1)c1ccc(O)cc1 from the molecule halo.,O=C(c1cc(-c2ccccc2C(=O)N2Cc3ccccc3CC2C[NH+]2CCOCC2)n2c1CCCC2)N(c1ccccc1)c1ccc(O)cc1
LogP,Please optimize the molecule CCCC(NC(=O)C(C)c1ccc(Br)s1)C(=O)[O-] to have a lower LogP value.,CCCC(NC(=O)C(C)(N)c1ccc(Br)s1)C(=O)[O-]
MR,Modify the molecule Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 to decrease its MR value.,Cc1ccc(-c2ccc(Oc3ccc(C)c(Cl)c3)cc2)cc1
QED,Modify the molecule COc1ccc(C(O)c2ccoc2C)c(OC)c1Cl to have a lower QED value.,COc1ccc(Cc2ccoc2C)c(OC)c1Cl
AtomNum,"The molecule is composed of 10 carbon atoms, 1 nitrogen atom, 1 sulfur atom, 1 bromine atom, and 1 iodine atom.",N#CCc1ccc2c(I)c(Br)sc2c1
BondNum,"The molecule consists of 19 single bonds, 2 double bonds, 11 rotatable bonds, and 18 aromatic bonds.",CCc1ccc(OCC(=O)Nc2ccc3c(c2)N(CCCOc2ccc(OC)cc2)C(=O)CO3)cc1
FunctionalGroup,"The molecule consists of 1 ester group, and 3 halo groups.",COC(=O)C(Cl)C(Cl)CC(C)Cl
AddComponent,Modify the molecule CC(C)[NH2+]C(CC(=O)[O-])C(O)c1ccc(F)cc1 by adding a carboxyl.,CC(C)[NH2+]C(CC(=O)[O-])C(O)c1ccc(F)c(C(=O)O)c1
SubComponent,Please substitute a hydroxyl in the molecule O=C([O-])Cc1cnc(-c2cccc(O)c2)[nH]c1=O with a nitro.,ONc1cccc(-c2ncc(CC(=O)[O-])c(=O)[nH]2)c1
DelComponent,Please remove a halo from the molecule O=C(NC1CCCN(C(=O)Nc2ccc(C(F)(F)F)cn2)C1)c1cccnc1.,O=C(NC1CCCN(C(=O)Nc2ccc(C(F)F)cn2)C1)c1cccnc1
LogP,Modify the molecule CS(=O)(=O)CCC(CO)NC(=O)c1ccc(-c2cc(Nc3ccc(Cl)cc3CF)ccc2O)nc1N to decrease its LogP value.,Cc1cc(Cl)ccc1Nc1ccc(O)c(-c2ccc(C(=O)NC(CO)CCS(C)(=O)=O)c(N)n2)c1
MR,Please optimize the molecule CC(C)(C)N1CC(C(C)(C)C)(C(C)(C)C)c2c(C[NH2+]CCF)cccc21 to have a higher MR value.,CC(C)(C)N1CC(C(C)(C)C)(C(C)(C)C)c2c(C[NH2+]CCF)cc(-c3ccccc3)cc21
QED,Modify the molecule CC(c1ccc(C2CC3(C)C(CCC3C(C)(F)C(F)(F)F)C3CCC4CC5(CCC4=C23)CCC(C)(C)CC5)cc1)C(C)(F)C(C)(F)C(F)(F)F to decrease its QED value.,CC(=O)C(C)(C1CCC2C3CCC4CC5(CCC4=C3C(c3ccc(C(C)C(C)(F)C(C)(F)C(F)(F)F)cc3)CC21C)CCC(C)(C)CC5)C(F)(F)F
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 fluorine atom, and 1 chlorine atom.",CC1(C(=O)[O-])CCCC[NH+]1Cc1cc(F)ccc1Cl
BondNum,"The molecule consists of 20 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",COC(=O)C1C(c2ccc(C)cc2)CC2CCC1[NH+]2CCCC(C)C
FunctionalGroup,"The molecule consists of 1 hydroxyl group, 1 amine group, 1 nitro group, and 1 halo group.",CCC(CC(C)CO)Nc1ncc([N+](=O)[O-])cc1Cl
AddComponent,Modify the molecule Cc1cc(C)nc(SCc2c(C(=O)NCCCOC(C)C)nnn2-c2cc(Cl)cc(Cl)c2)n1 by adding a hydroxyl.,Cc1cc(C)nc(SCc2c(C(=O)NCCCOC(C)(C)O)nnn2-c2cc(Cl)cc(Cl)c2)n1
SubComponent,Modify the molecule halo by substituting a O=C([O-])c1ccc(C(=O)Nc2ccc(I)cc2Br)o1 with a nitrile.,N#Cc1ccc(NC(=O)c2ccc(C(=O)[O-])o2)c(Br)c1
DelComponent,Modify the molecule amine by removing a COc1cc(C)c(NCC2(CO)CC2)cc1Cl.,COc1cc(C)c(CC2(CO)CC2)cc1Cl
LogP,Please optimize the molecule CC(C)C(C(=O)NCC(F)(F)C(F)(F)F)C(=O)NC1C(=O)N(C)c2ccccc2-c2ccccc21 to have a lower LogP value.,CC(C)C(C(=O)NCC(F)(NO)C(F)(F)F)C(=O)NC1C(=O)N(C)c2ccccc2-c2ccccc21
MR,Optimize the molecule C=C(C)CN(C)S(=O)(=O)N1CCC(C[NH2+]CCC)CC1 to have a higher MR value.,C=C(C)CN(C)S(=O)(=O)N1CCC(C[NH2+]CC(C)O)CC1
QED,Optimize the molecule C[NH2+]C(Cc1cccs1)Cc1cc(Br)ccc1F to have a higher QED value.,C[NH2+]C(Cc1cccc(Br)c1)Cc1cccs1
AtomNum,"There is a molecule composed of 14 carbon atoms, 7 oxygen atoms, and 1 nitrogen atom.",Cc1ccc(O)c(C=NOC2OC(CO)C(O)C(O)C2O)c1
BondNum,"Please generate a molecule composed of 10 single bonds, 2 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",O=C(Cc1ccccc1)NCCC(=O)NC(c1ccccc1)c1ccccn1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 2 amide groups, and 5 halo groups.",O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cc(I)c(OCc2cccc(F)c2)c(I)c1
AddComponent,Add a hydroxyl to the molecule C=CCSCCNC(NCCc1cccc(F)c1)=[NH+]C.,C=CCSCC(O)NC(NCCc1cccc(F)c1)=[NH+]C
SubComponent,Substitute a hydroxyl in the molecule CCCCCC=CCC=CCC=CCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COC1OC(CS(=O)(=O)[O-])C(O)C(O)C1O with a halo.,CCCCCC=CCC=CCC=CCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COC1OC(CS(=O)(=O)[O-])C(Br)C(O)C1O
DelComponent,Remove a C[NH2+]CC(C)(O)c1c(Br)cnn1C(C)C from the molecule halo.,C[NH2+]CC(C)(O)c1ccnn1C(C)C
LogP,Optimize the molecule COC1=CC(=O)NC1=CCC(C)C to have a higher LogP value.,COCC=CCC(C)C
MR,Optimize the molecule CN(c1nc2ccccc2s1)C1CC[NH+](C(C)(O)COc2ccc(F)c(F)c2)CC1 to have a higher MR value.,CN(c1nc2ccccc2s1)C1CC[NH+](C(C)(O)COc2ccc(S)c(F)c2)CC1
QED,Optimize the molecule CCCCS(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl to have a lower QED value.,CC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)CCCC
AtomNum,"Please generate a molecule consisting 48 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CCCCCCc1c2cc(-c3ccc(-c4[nH]c(O)c5c4C(=O)N=C5c4cccs4)s3)n(CCCCCC)c2c(CCCCCC)c2ccn(CCCCCC)c12
BondNum,"Please generate a molecule composed of 15 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",Cc1cccc(NC(=O)C[NH+]2CCN(Cc3c(O)ccc4ccccc34)CC2)c1C
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amide groups, and 1 amine group.",Cc1cc(CC(NC(=O)ON2CCC3(CC2)[NH+]=C(c2ccccc2)NC3=O)C(=O)N(C)C)cc2cn[nH]c12
AddComponent,Add a hydroxyl to the molecule CCCCCCS(=O)(=O)NC(=O)c1ccc(ON=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1.,CCCCCCS(=O)(=O)NC(=O)c1ccc(ON=Cc2ccc(-c3cc(C(F)(F)F)ccc3O)cc2)cc1
SubComponent,Please substitute a halo in the molecule Cc1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 with a nitrile.,Cc1cccc(C(=O)N2CCC(c3nc4cc(C#N)ccc4s3)CC2)c1
DelComponent,Remove a CCn1cc(NC(=O)C2Cc3cc(Cl)ccc3O2)ccc1=O from the molecule halo.,CCn1cc(NC(=O)C2Cc3ccccc3O2)ccc1=O
LogP,Modify the molecule CC(C)(CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccc(F)cc1Cl to have a higher LogP value.,CC(C)(CNC(=O)c1cn(C2CC[NH2+]C(c3ccccc3)C2)nn1)c1ccc(F)cc1Cl
MR,Please modify the molecule F[B-](F)(F)CC(n1cccn1)C(F)(F)F to decrease its MR value.,F[B-](F)CC(n1cccn1)C(F)(F)F
QED,Modify the molecule Cc1ccc(F)c(Nc2ccc(S(N)(=O)=O)c(N)c2)c1F to decrease its QED value.,Cc1ccc(O)c(Nc2ccc(S(N)(=O)=O)c(N)c2)c1F
AtomNum,"The molecule is composed of 26 carbon atoms, 3 oxygen atoms, and 6 nitrogen atoms.",CCOc1ncc(-c2nn(-c3ccccc3)c(NC(=O)NC3c4ccccc4CC3O)c2C)cn1
BondNum,"The molecule consists of 12 single bonds, 4 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",COC(=O)Cn1c(=NC(=O)C2CC2)sc2cc(NC(C)=O)ccc21
FunctionalGroup,"Please generate a molecule with 1 amide group, 1 amine group, and 3 halo groups.",Cn1c(NC2C(Cl)=CC=CC2Cl)nc2cc(C(N)=O)c(F)cc21
AddComponent,Modify the molecule O=C(NCCCC[NH2+]CC(O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(C(=O)N2CC(C(=O)[O-])(c3ccccc3)C2C2C[NH+]3CCC2CC3)cc1 by adding a amine.,Nc1cccc(C2(C(=O)[O-])CN(C(=O)c3ccc(C(=O)NCCCC[NH2+]CC(O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)C2C2C[NH+]3CCC2CC3)c1
SubComponent,Substitute a nitrile in the molecule C=CCn1c(SC(C)C(=O)NC(C)(C#N)C(C)C)nnc1C1CC1 with a carboxyl.,C=CCn1c(SC(C)C(=O)NC(C)(C(=O)[OH])C(C)C)nnc1C1CC1
DelComponent,Remove a hydroxyl from the molecule COc1ccc(C(CCCCCC[NH+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1O.,COc1ccc(C(CCCCCC[NH+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1
LogP,Modify the molecule CC(C)Oc1cc(OC(CO)CO)ccc1O to have a higher LogP value.,CC(C)Oc1cc(OC(CO)CC(=O)[OH])ccc1O
MR,Modify the molecule CCNc1nc(N(C)Cc2csc(Br)c2)c2cn[nH]c2n1 to decrease its MR value.,CCc1nc(N(C)Cc2csc(Br)c2)c2cn[nH]c2n1
QED,Please modify the molecule CCOC(C[NH2+]C=C(C#N)C(=O)NCc1ccc2c(c1)OCO2)OCC to decrease its QED value.,CCOC(C[NH2+]C=C(O)C(=O)NCc1ccc2c(c1)OCO2)OCC
AtomNum,"There is a molecule composed of 13 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",N#CCCN1CCCC(C(=O)N(CCO)CCO)C1
BondNum,"Please generate a molecule consisting 12 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",CC[NH+]1CCCC(n2c(CCl)nc3cccc(Cl)c32)C1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amide groups, and 1 sulfide group.",Cc1ccc(C=C2SC(=S)N(C(CCC(N)=O)C(=O)[O-])C2=O)cc1
AddComponent,Please add a hydroxyl to the molecule CC(C)[NH+](CC(=O)[O-])Cc1cscc1C(F)(F)F.,CC(C)[NH+](CC(=O)[O-])Cc1csc(O)c1C(F)(F)F
SubComponent,Please substitute a halo in the molecule Cc1cc(C(=O)Nc2ccccc2OCc2cscn2)c(C)n1-c1ccc(F)cc1 with a nitro.,Cc1cc(C(=O)Nc2ccccc2OCc2cscn2)c(C)n1-c1ccc(NO)cc1
DelComponent,Modify the molecule amine by removing a CSc1ccccc1C(NC(CO)CC(C)C)C(F)(F)C(F)(F)F.,CSc1ccccc1C(C(CO)CC(C)C)C(F)(F)C(F)(F)F
LogP,Modify the molecule CCCOc1ccc(CNc2ccc(O)c(Cl)c2)cc1 to increase its LogP value.,CCCOc1ccc(CNc2ccc(O)c(Cl)c2)cc1-c1ccccc1
MR,Optimize the molecule Cc1cccc(N)c1NS(=O)(=O)c1ccn[nH]1 to have a higher MR value.,Cc1cc(-c2ccccc2)cc(N)c1NS(=O)(=O)c1ccn[nH]1
QED,Optimize the molecule CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccc(Cl)cc1 to have a higher QED value.,CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccccc1
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 nitrogen atoms, and 1 chlorine atom.",N#Cc1cc(Cl)nc(NCCCC2CCCC2)c1
BondNum,"There is a molecule composed of 17 single bonds, 5 double bonds, 12 rotatable bonds, and 12 aromatic bonds.",O=C(CS(=O)C(c1ccccc1)c1ccccc1)[N-]C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]
FunctionalGroup,There is a molecule consisting of and 3 hydroxyl groups.,OC1=CCc2c(O)ccc(O)c2C1
AddComponent,Modify the molecule CC(Cc1ccccc1)[NH2+]CCC(C)(C)C#N by adding a benzene ring.,CC(C)(C#N)CC[NH2+]C(C)(Cc1ccccc1)c1ccccc1
SubComponent,Please substitute a halo in the molecule Cn1c(-c2nnc(N)s2)nc(I)c1[N+](=O)[O-] with a thiol.,Cn1c(-c2nnc(N)s2)nc(S)c1[N+](=O)[O-]
DelComponent,Remove a [NH3+]C1CCCCC1N1C(=O)C2CCCC2C1=O from the molecule amide.,[NH3+]C1CCCCC1C1CCC1C=O
LogP,Optimize the molecule CC(C)(O)C[NH+]1CCOC2(CCc3ccccc32)C1 to have a higher LogP value.,CC(C)C[NH+]1CCOC2(CCc3ccccc32)C1
MR,Please modify the molecule CNC(=O)c1cccc(NC(=O)NCc2nncn2-c2ccccc2)c1C to decrease its MR value.,Cc1(C)c(NC(=O)NCc2nncn2-c2ccccc2)ccc-1
QED,Modify the molecule CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)NC1CC2CCC(C1)N2c1ccc(C(=O)NCCCn2ccnc2)cn1 to have a lower QED value.,CC(C)(Oc1ccc(S)cc1Cl)C(=O)NC1CC2CCC(C1)N2c1ccc(C(=O)NCCCn2ccnc2)cn1
AtomNum,"The molecule has 9 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 selenium atom.",CC(C)(C)c1cc(N)c(C(N)=O)[se]1
BondNum,"Please generate a molecule with 16 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC1CC[NH+](C2=C(Sc3ccccc3)C(=O)N(c3ccccc3Cl)C2=O)CC1
FunctionalGroup,"The molecule has 3 benzene ring groups, 2 amide groups, 1 amine group, 1 thioether group, and 1 sulfide group.",COc1ccc(C=C2[NH+]=C(SCC(=O)Nc3cccc(C)c3)N(c3cccc(OC)c3)C2=O)cc1
AddComponent,Modify the molecule CCC[NH2+]C(c1ccccc1OC(F)F)c1sccc1C by adding a thiol.,CCC[NH2+]C(c1sccc1C)c1c(S)cccc1OC(F)F
SubComponent,Please substitute a halo in the molecule COc1ccc(C2=C([NH+]3CC(C)OC(C)C3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 with a nitro.,COc1ccc(C2=C([NH+]3CC(C)OC(C)C3)C(=O)N(c3ccc(NO)cc3)C2=O)cc1
DelComponent,Modify the molecule hydroxyl by removing a O=C(Cc1ccccn1)NCC1(CCO)CC1.,CCC1(CNC(=O)Cc2ccccn2)CC1
LogP,Please optimize the molecule CC(C)CC(CO)NC(=O)NCC(C)(C)[NH+]1CCCCC1 to have a lower LogP value.,CC(C)CC(CNO)NC(=O)NCC(C)(C)[NH+]1CCCCC1
MR,Modify the molecule Cc1ccc(C2=CC(c3cc(Cl)ccc3O)NC(c3ccc(Cl)cc3)[NH2+]2)cc1 to have a lower MR value.,Cc1ccc(C2=CC(OCl)NC(c3ccc(Cl)cc3)[NH2+]2)cc1
QED,Please modify the molecule CC(C)c1nc(-n2cccc2)sc1C(=O)NCc1ccc(F)cc1F to decrease its QED value.,CC(C)c1nc(-n2cccc2)sc1C(=O)NCc1ccc(S)cc1F
AtomNum,"The molecule contains 17 carbon atoms, 3 oxygen atoms, 17 fluorine atoms, and 1 silicon atom.",CCO[Si](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
BondNum,"There is a molecule with 9 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",O=C([O-])COCCNC(=O)c1ccccc1Br
FunctionalGroup,The molecule consists of and 2 sulfide groups.,CCc1nnc2sc(Cc3csc(C)n3)nn12
AddComponent,Please add a benzene ring to the molecule O=C(Nc1cccc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)c1)c1cccc(Cl)c1.,O=C(Nc1cccc(CNc2cc(-c3cccc(-c4ccccc4)c3Cl)nc3c(Br)cnn23)c1)c1cccc(Cl)c1
SubComponent,Please substitute a nitrile in the molecule CC(NS(=O)(=O)c1cccc(F)c1C#N)c1nn[n-]n1 with a hydroxyl.,CC(NS(=O)(=O)c1cccc(F)c1O)c1nn[n-]n1
DelComponent,Remove a amine from the molecule C=CCNc1cc(N(C)C2CCC(O)CC2)ncn1.,C=CCc1cc(N(C)C2CCC(O)CC2)ncn1
LogP,Modify the molecule CCCCNc1ncc(-c2ccc(S(=O)(=O)NCC3CC[NH2+]CC3)cn2)c(NCC2CCC(O)CC2)n1 to have a higher LogP value.,CCCCNc1ncc(-c2ccc(S(=O)(=O)NCC3CC[NH2+]CC3)cn2)c(NCC2CCC(Br)CC2)n1
MR,Please optimize the molecule CC(CC(=O)N1CCCC1C1CCC1)C1CCC[NH2+]C1 to have a lower MR value.,CC(C1CCC[NH2+]C1)C1CCC1C1CCC1
QED,Modify the molecule CC(C)c1ccccc1N(C)CC(=O)[O-] to increase its QED value.,CC(C)c1ccc(O)cc1N(C)CC(=O)[O-]
AtomNum,"The molecule has 20 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",O=C(OCc1ccccc1)N1CCC(Cc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)C1
BondNum,"The molecule has 11 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCS(=O)(=O)Nc1ccc(NC(=O)C(C)(C)[NH2+]C)cc1
FunctionalGroup,"The molecule consists of 1 ketone group, 1 amide group, and 1 sulfide group.",CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(C(C)=O)s6)cncc5[nH]4)c3n2)c1
AddComponent,Modify the molecule O=C([O-])CN1C(=O)C([NH2+]C(CCc2ccccc2)C(=O)[O-])CSC2=CC=CCC21 by adding a hydroxyl.,O=C([O-])CN1C(=O)C([NH2+]C(CCc2ccccc2)C(=O)[O-])CSC2=CC=CC(O)C21
SubComponent,Substitute a halo in the molecule CC(C)[NH2+]Cc1cnn(-c2cccnn2)c1C(F)(F)F with a nitrile.,CC(C)[NH2+]Cc1cnn(-c2cccnn2)c1C(F)(F)C#N
DelComponent,Modify the molecule COc1ccc(-n2nc(C(=O)N(C)C3CCCCC3)c3ccccc3c2=O)cc1 by removing a benzene ring.,COn1nc(C(=O)N(C)C2CCCCC2)c2ccccc2c1=O
LogP,Please optimize the molecule CCOc1cc(C2C(=C([O-])c3cc(OC)ccc3OC)C(=O)C(=O)N2c2cc(Cl)ccc2C)ccc1OC to have a lower LogP value.,CCOc1cc(C2C(=C([O-])c3cc(OC)ccc3OC)C(=O)C(=O)N2c2ccccc2C)ccc1OC
MR,Please optimize the molecule Cc1ccc(C(O)C[NH+](CCO)Cc2ccccc2)cc1 to have a lower MR value.,CC(O)C[NH+](CCO)Cc1ccccc1
QED,Please optimize the molecule O=C1CC(C(=O)NCC(c2ccco2)[NH+]2CCCCC2)c2ccc(F)cc2N1 to have a lower QED value.,O=C1CC(C(=O)NCC(c2ccco2)[NH+]2CCCCC2c2ccccc2)c2ccc(F)cc2N1
AtomNum,"The molecule is composed of 16 carbon atoms, 3 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",CCn1nc(C)c(Cl)c1CC(Cc1cccc(Br)c1)[NH2+]C
BondNum,"The molecule contains 18 single bonds, 10 rotatable bonds, and 22 aromatic bonds.",COc1cc2c(Nc3ccc(Cc4ccsc4)cc3)c(N)cnc2cc1OCCC[NH+]1CCOCC1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 aldehyde group, and 1 sulfide group.",CCc1ccc(-c2nc3sc(C)c(-c4ccc(C)c(C)c4)n3c2C=O)cc1
AddComponent,Please add a amine to the molecule Ic1cnc(NCc2ccsc2)nc1.,Nc1cscc1CNc1ncc(I)cn1
SubComponent,Modify the molecule halo by substituting a O=C(CC1CCCC1)N1CC(OCc2ccc(Cl)cc2)C1 with a nitrile.,N#Cc1ccc(COC2CN(C(=O)CC3CCCC3)C2)cc1
DelComponent,Remove a benzene ring from the molecule CCc1cccc2c(C=NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)c[nH]c12.,CCc1cccc2c(C=NNC(=O)S(=O)(=O)N3CCCC3)c[nH]c12
LogP,Modify the molecule CCN(CCN=[N+]=[N-])c1ccccc1 to have a higher LogP value.,CCN(CCN=[N+]=[N-])c1cccc(-c2ccccc2)c1
MR,Please modify the molecule Cn1cc(NC2CCC(c3ccccc3)CC2)ccc1=O to increase its MR value.,Cn1cc(NC2CCC(c3ccccc3)CC2)cc(O)c1=O
QED,Please modify the molecule N#CCc1nc(I)c(OC(F)(F)F)cc1F to increase its QED value.,O=C([OH])Cc1nc(I)c(OC(F)(F)F)cc1F
AtomNum,"There is a molecule composed of 23 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",Cc1ccc2[nH+]c(N3CCS(O)(O)c4ccccc4C3)cc(NCC(C)C(N)=O)c2c1
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",O=C([O-])CSc1nc2cc(Br)ccc2n1C1CCCOC1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 2 amide groups, and 6 halo groups.",O=C(C[N+]1(OC(=O)C(F)(F)F)CCCCC1)NC1CCC(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C(c2ccc(Br)cc2)C1
AddComponent,Add a hydroxyl to the molecule NS(=O)(=O)c1ccc(N2CCCC3(CC3)C2)c([N+](=O)[O-])c1.,NS(=O)(=O)c1ccc(N2CCCC3(CC3O)C2)c([N+](=O)[O-])c1
SubComponent,Please substitute a halo in the molecule [NH3+]CC1C[NH+](Cc2cccn2-c2ccc(Cl)cn2)CCO1 with a nitro.,[NH3+]CC1C[NH+](Cc2cccn2-c2ccc(NO)cn2)CCO1
DelComponent,Remove a COC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(C)C)c1 from the molecule benzene ring.,COC(=O)c1cnc2nc(C)ccc2c1NC(C)C
LogP,Please modify the molecule CCN(C(=O)Cn1c(-c2ccc(F)cc2)ncc(NC(=O)C(C)[NH2+]C)c1=O)c1ccc(F)cc1 to decrease its LogP value.,CCN(C(=O)Cn1c(-c2ccc(F)cc2)ncc(NC(=O)C(C)[NH2+]C)c1=O)c1ccc(F)cc1O
MR,Modify the molecule CCc1nc(C)nc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)c1Cc1ccc(Cl)cc1 to decrease its MR value.,CCc1nc(C)nc(N2CCN(C(=O)NC(F)(F)F)CC2)c1Cc1ccc(Cl)cc1
QED,Optimize the molecule Cc1ccc(OCC(C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 to have a lower QED value.,Cc1ccc(OCC(C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(Cc3ccccc3)cc2)cc1
AtomNum,"The molecule contains 18 carbon atoms, 18 oxygen atoms, 1 nitrogen atom, and 1 phosphorus atom.",[NH3+]C1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(OC2OC(COP(=O)([O-])[O-])C(O)C(O)C2O)C1O
BondNum,"The molecule is composed of 15 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",O=S(=O)(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Cl)nc1Cl
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amine groups, and 2 halo groups.",COCn1cc(NC(=S)Nc2ccc(Cl)cc2Cl)cn1
AddComponent,Add a aldehyde to the molecule CCC1CC(CC)C(CNC(=O)C(C)(C)C)C1.,CCC1CC(CC)C(CNC(=O)C(C)(C)CCC=O)C1
SubComponent,Substitute a C#CC(O)C#CCC(C)(CC#CC#Cc1ccccc1)C(=O)OC in the molecule hydroxyl with a nitrile.,C#CC(C#N)C#CCC(C)(CC#CC#Cc1ccccc1)C(=O)OC
DelComponent,Modify the molecule Fc1ccc(OCc2ncc(Br)o2)cc1 by removing a halo.,Fc1ccc(OCc2ncco2)cc1
LogP,Modify the molecule CN1C(=O)c2ccccc2C2(OCCO2)c2cc(Cl)ccc21 to decrease its LogP value.,CN1C(=O)c2ccccc2C2(OCCO2)c2ccccc21
MR,Modify the molecule CNC(=O)C[NH+]1CCC(NC(NCCc2ccco2)=[NH+]CC2CCCCO2)CC1 to decrease its MR value.,C[NH+]1CCC(NC(NCCc2ccco2)=[NH+]CC2CCCCO2)CC1
QED,Please optimize the molecule CC1C[NH2+]CCN1C(=O)OCc1ccc(OC(F)F)cc1 to have a lower QED value.,CC1C[NH2+]CCN1C(=O)OCOC(F)F
AtomNum,"The molecule has 16 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(C)cc1C(C)NC(=O)NCC(C)CCO
BondNum,"The molecule has 6 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",Cc1cccc(-c2nc(CCS(=O)(=O)c3ccccc3)no2)c1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,COc1ccc2c(c1)CCC1(CCCC[NH+]1CCCC1CC[NH+](Cc3ccccc3)CC1)C2
AddComponent,Modify the molecule Cc1ccccc1C(C(C)[NH3+])N(C)C1CCOC1 by adding a hydroxyl.,Cc1ccccc1C(C(C)[NH3+])N(C)C1CCOC1O
SubComponent,Modify the molecule halo by substituting a Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)C2c2ccc(Cl)cc2)c1 with a carboxyl.,Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)C2c2ccc(C(=O)[OH])cc2)c1
DelComponent,Remove a amide from the molecule NNC(=O)CS(=O)(=O)[O-].,NS(=O)(=O)[O-]
LogP,Modify the molecule CCc1cc(C(=O)[O-])cc(NCC(C)O)n1 to increase its LogP value.,CCc1cc(C(=O)[O-])cc(NCC(C)S)n1
MR,Please modify the molecule Cc1noc(-c2ccnc(N(Cc3ccccc3)C3CC3)c2)n1 to decrease its MR value.,Cc1noc(-c2ccnc(N(C)C3CC3)c2)n1
QED,Please modify the molecule CCS(=O)(=O)c1ccccc1C(=O)OCc1nc(-c2cccc(Cl)c2)no1 to increase its QED value.,CCS(=O)(=O)c1ccccc1C(=O)OCc1nc(-c2cccc(C#N)c2)no1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",[NH3+]CC1CCCCC1C(=O)Nc1ccc(CC(=O)[O-])cc1
BondNum,"Please generate a molecule with 21 single bonds, and 7 rotatable bonds.",CCCCC[NH2+]CC(C)N1CCC2C(CCC[NH+]2C)C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 amide groups, 1 amine group, and 1 nitrile group.",N#Cc1nc(CCCN2C(=O)c3ccccc3C2=O)oc1Nc1ccccc1
AddComponent,Add a benzene ring to the molecule Cc1cc(C)c(C2(C#N)CC2)cc1Br.,Cc1cc(C)c(C2(C#N)CC2)c(-c2ccccc2)c1Br
SubComponent,Substitute a halo in the molecule O=C(NC1CCC(C(=O)[O-])CC1)c1cc(Br)cc2ccccc12 with a nitrile.,N#Cc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc2c1
DelComponent,Please remove a amine from the molecule Cc1nc(NN)c(C)c(NCCSC(F)(F)F)n1.,Cc1nc(CCSC(F)(F)F)c(C)c(NN)n1
LogP,Optimize the molecule CC1(C)CCN(c2cccc(N)n2)CC1 to have a lower LogP value.,CC1(C)CCN(c2nc(N)ccc2O)CC1
MR,Please optimize the molecule C=C(CC)C(=CCO)C(O)CCC(=Cc1ccc(O)c(F)c1)CC to have a higher MR value.,CC(=O)c1cc(C=C(CC)CCC(O)C(=CCO)C(=C)CC)ccc1O
QED,Please modify the molecule CCN(Cc1ccc(O)cc1)C1(C[NH3+])CCCC(C)C1 to decrease its QED value.,CCN(Cc1ccccc1)C1(C[NH3+])CCCC(C)C1
AtomNum,"Please generate a molecule consisting 27 carbon atoms, 1 oxygen atom, and 7 nitrogen atoms.",CC=CCC1CCCC(C(=O)c2n[nH]c(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)n2)C1
BondNum,"The molecule is composed of 5 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",OCCCc1nc2c(Br)cccn2n1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, and 1 halo group.",Nc1ccc2cc(COc3ccccc3F)oc2c1
AddComponent,Modify the molecule [NH3+]CC1CCN(C(=O)COCC2CC2)CC1 by adding a amine.,NC1(C[NH3+])CCN(C(=O)COCC2CC2)CC1
SubComponent,Please substitute a Cn1cc(C2=CCC3(CC2)OCCO3)c2cc(C#N)ccc21 in the molecule nitrile with a nitro.,Cn1cc(C2=CCC3(CC2)OCCO3)c2cc(NO)ccc21
DelComponent,Please remove a CCc1ccc(OCc2nn[n-]n2)cc1 from the molecule benzene ring.,CCOCc1nn[n-]n1
LogP,Modify the molecule CCC(C)CCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC to increase its LogP value.,CCC(C)CCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(S)COP(=O)([O-])OCC(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC
MR,Optimize the molecule CCc1noc(C)c1C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 to have a higher MR value.,CCc1noc(C)c1C(=O)N1CCC(n2nc(C(=O)O)cc2NC(=O)CCCc2ccccc2)CC1
QED,Modify the molecule O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc2c1OCCO2 to decrease its QED value.,O=C([O-])c1cc(S(=O)(=O)Nc2cc(O)cc(F)c2)cc2c1OCCO2
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1cc(C)c(C(=O)Nc2ccncc2)cc1N
BondNum,"Please generate a molecule consisting 11 single bonds, 2 double bonds, 1 triple bond, and 4 rotatable bonds.",CCC(CC)N(C)C(=O)C(=O)NCC#N
FunctionalGroup,The molecule contains and 1 halo group.,CC(C)(C)c1nc(=O)c2c([nH]1)C[NH+](Cc1ccc(Cl)nc1)CC2
AddComponent,Add a nitrile to the molecule CC(C)CNC(=S)NC1CCc2ccccc2C1.,CC(C)CNC(=S)NC1CCc2cccc(C#N)c2C1
SubComponent,Please substitute a halo in the molecule O=C1COc2cc(S(=O)(=O)N3CCCC3c3ccccc3C(F)(F)F)c(Cl)cc2N1 with a aldehyde.,CC(=O)C(F)(F)c1ccccc1C1CCCN1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2
DelComponent,Please remove a amide from the molecule CNC(=O)C1CCC[NH+](Cc2noc(C[NH3+])n2)C1.,CC1CCC[NH+]1Cc1noc(C[NH3+])n1
LogP,Modify the molecule O=C(Nc1cccc(F)c1)c1[nH]ncc1-c1ccccc1 to decrease its LogP value.,O=C(Nc1ccccc1)c1[nH]ncc1-c1ccccc1
MR,Modify the molecule CCCCCCCCCCCCCCCCCC(C)[n+]1cc[nH]c1C(CCCCCC)CCCCCCCCCCCC to have a higher MR value.,CCCCCCCCCCCCCCCCCC(C)[n+]1cc[nH]c1C(CCCCCCCCCCCC)CCCCC(C)N
QED,Please modify the molecule C=C1CC23CCC4C(C)(C)C(=O)CCC4(C)C2C(O)C1CC3=O to decrease its QED value.,C=C1CC23CCC4C(C)(C)C(=O)CCC4(C)C2C(S)C1CC3=O
AtomNum,"There is a molecule consisting of 58 carbon atoms, and 1 nitrogen atom.",CC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc21
BondNum,"The molecule has 12 single bonds, 1 triple bond, and 7 rotatable bonds.",CC#CCC[NH2+]C(CN)C(C)COC
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 1 halo group, and 1 sulfone group.",CN(C)c1ccc(C(=O)N2CCC(c3ccccc3Cl)S(=O)(=O)CC2)cc1
AddComponent,Add a benzene ring to the molecule O=C([O-])C=CC(=O)NC1CCCN(C(=O)c2cncc(Br)c2)C1.,O=C([O-])C=C(C(=O)NC1CCCN(C(=O)c2cncc(Br)c2)C1)c1ccccc1
SubComponent,Please substitute a CCC1(C(=O)N(CC#N)CC#N)CC[NH2+]C1 in the molecule nitrile with a nitro.,CCC1(C(=O)N(CC#N)CNO)CC[NH2+]C1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(C)c(CC2N=C(c3ccc(O)cc3)c3cc(Cl)ccc3N(C)C2=O)c1.,CCCC1N=C(c2ccc(O)cc2)c2cc(Cl)ccc2N(C)C1=O
LogP,Optimize the molecule COC(=O)c1c(O)cc(OC)cc1C=Cc1cccc(F)c1 to have a higher LogP value.,CC(=O)c1cccc(C=Cc2cc(OC)cc(O)c2C(=O)OC)c1
MR,Modify the molecule Cn1cc(CC[NH2+]Cc2cccc(OCC(O)C[NH+]3CCCCCC3)c2)cn1 to decrease its MR value.,Cn1cc(CC[NH2+]Cc2cccc(OCCC[NH+]3CCCCCC3)c2)cn1
QED,Please optimize the molecule Cc1nn(C)c2[nH+]c3ccc(F)cc3c(NCCC[NH+](C)C)c12 to have a lower QED value.,Cc1nn(C)c2[nH+]c3ccc(C#N)cc3c(NCCC[NH+](C)C)c12
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 2 chlorine atoms, and 1 bromine atom.",Nc1ccc(Br)cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
BondNum,"Please generate a molecule consisting 24 single bonds, 2 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCC(C)(CC(C)(C)C(=O)Oc1ccc2ccccc2c1)C(=O)OC1CC2CCC1(C)C2(C)C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, 1 thioether group, 1 nitrile group, 1 sulfide group, and 1 sulfone group.",CNC(C#N)(CSc1ccc(S(C)(=O)=O)cc1)C1CC1
AddComponent,Modify the molecule CNc1cc(Oc2ccc(C)cc2OC)cc([N+](=O)[O-])c1 by adding a benzene ring.,CNc1cc(Oc2c(OC)cc(C)cc2-c2ccccc2)cc([N+](=O)[O-])c1
SubComponent,Modify the molecule halo by substituting a CCNc1nc(-c2cc3ccccc3o2)ncc1Br with a nitro.,CCNc1nc(-c2cc3ccccc3o2)ncc1NO
DelComponent,Please remove a amide from the molecule CC1(C)C(=O)N(CCCCCCO)S1(=O)=O.,CCS(=O)(=O)CCCCCCO
LogP,Please modify the molecule O=C1Nc2ccc(Cl)cc2C(c2ccc3[nH]c(=O)[nH]c3c2)=NC1Cc1ccccc1 to decrease its LogP value.,ONc1ccc2c(c1)C(c1ccc3[nH]c(=O)[nH]c3c1)=NC(Cc1ccccc1)C(=O)N2
MR,Modify the molecule CC=C1C[NH+]2CCC34C(=O)C5=C(CC6=C(C5)C5(O)CC[N+]78CCCC(CC)(CCC57N6)C8)OC35C2CC1C(C(=O)OC)N5c1ccccc14 to increase its MR value.,CC(=O)C12CC[N+]34CCCC(CC)(CCC13NC1=C2CC2=C(C1)OC13C5CC6C(=CC)C[NH+]5CCC1(C2=O)c1ccccc1N3C6C(=O)OC)C4
QED,Modify the molecule CN(Cc1cc(Br)cs1)C(=O)c1cc(Cl)nnc1Cl to have a lower QED value.,Cc1(Cl)nnc(Cl)cC1c1cc(Br)cs1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC[NH+](Cc1ccc(CC(=O)NN)cc1)C(C)CN(C)C
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 5 rotatable bonds, and 15 aromatic bonds.",Cc1csc(C(NC(=O)c2cc(-c3ccco3)on2)C2CC2)n1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amine group, 2 halo groups, and 1 nitrile group.",CON(C)c1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(C#N)cc2)n1
AddComponent,Modify the molecule CN(CC[NH2+]Cc1cccnc1)Cc1ccccn1 by adding a benzene ring.,CN(CC[NH2+]Cc1cccnc1)Cc1ncccc1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(CCl)NCc1ccc(F)c(Cl)c1 with a aldehyde.,CC(=O)CC(=O)NCc1ccc(F)c(Cl)c1
DelComponent,Please remove a amine from the molecule [NH3+]Cc1cc(S(=O)(=O)NCc2ccc(F)c(F)c2)c[nH]1.,[NH3+]Cc1cc(S(=O)(=O)Cc2ccc(F)c(F)c2)c[nH]1
LogP,Optimize the molecule COc1ccc(CC(=O)NC(C)c2cccs2)cc1 to have a lower LogP value.,COc1ccc(CC(=O)NC(C)c2cccs2)cc1O
MR,Please modify the molecule C=CCN(CCO)C(=O)c1cccc(OC)c1O to increase its MR value.,C=CCN(CCC(=O)[OH])C(=O)c1cccc(OC)c1O
QED,Please optimize the molecule C[NH+](C)CCC1CCCC[NH+]1Cc1ccc(Oc2nc3ncccc3s2)cc1 to have a higher QED value.,C[NH+](C)CCC1CCCC[NH+]1COc1nc2ncccc2s1
AtomNum,"The molecule consists of 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",CCN(Cc1cccs1)c1cccc(Cl)c1C(=O)[O-]
BondNum,"There is a molecule consisting of 14 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",COCC1(S(=O)(=O)NC2CN(c3ccccc3)C2=O)CC1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 1 nitro group, and 1 halo group.",CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1
AddComponent,Modify the molecule CCOc1ccccc1C(CO)N1CC[NH2+]CC1C by adding a benzene ring.,CCOc1ccccc1C(CO)(c1ccccc1)N1CC[NH2+]CC1C
SubComponent,Substitute a hydroxyl in the molecule N#Cc1ncccc1S(=O)(=O)NC(CO)C(=O)[O-] with a nitrile.,N#CCC(NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]
DelComponent,Remove a amine from the molecule CCOc1ccc(NC2C[NH+]3CCC2CC3)c(C)c1.,CCOc1ccc(C2C[NH+]3CCC2CC3)c(C)c1
LogP,Please optimize the molecule CC1(C)OB(C=C(CCO)[Si](C)(c2ccccc2)c2ccccc2)OC1(C)C to have a lower LogP value.,C[Si](C(=CB1OC(C)(C)C(C)(C)O1)CCO)c1ccccc1
MR,Modify the molecule NC(C1CCCCC1)C(N)[NH+]1C2CCCCC2C2CCC3C4CCCCC4C(C4CCCCC4)(C4CCCCC4)C3C21 to have a lower MR value.,NC(CC1CCCCC1)[NH+]1C2CCCCC2C2CCC3C4CCCCC4C(C4CCCCC4)(C4CCCCC4)C3C21
QED,Modify the molecule COc1ccc(CCNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 to decrease its QED value.,COc1ccc(CCNC(=O)NC2CCC(Oc3ccc(C(=O)[OH])cn3)CC2)cc1
AtomNum,"Please generate a molecule with 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC[NH2+]C(C)c1ccc(NC(=O)NCC2(C)CCC2)cc1
BondNum,"The molecule consists of 19 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCCC1C2=C(CC3C(=O)N(c4ccccc4)C(=O)C31)C[NH+](Cc1ccccc1)C2
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 amide groups, and 3 halo groups.",Cn1ccc(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)n1
AddComponent,Please add a benzene ring to the molecule CCCNc1ncnc(NCCCOCC)c1C(C)C.,CCCNc1ncnc(NCCCOC(C)c2ccccc2)c1C(C)C
SubComponent,Please substitute a halo in the molecule O=C(Nc1ccc(-c2onc3c2CCCC3)cc1)C(F)(F)C(F)(F)C(F)(F)F with a nitrile.,N#CC(F)(C(=O)Nc1ccc(-c2onc3c2CCCC3)cc1)C(F)(F)C(F)(F)F
DelComponent,Remove a nitrile from the molecule CCCCCOc1ccc2cc(-c3ccc(C#N)cn3)ccc2c1.,CCCCCOc1ccc2cc(-c3ccccn3)ccc2c1
LogP,Optimize the molecule COc1cccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(Cc2ccc(CC(=O)OC(C)(C)C)cc2)C(=O)N3C)c1 to have a lower LogP value.,COCNC(=O)c1ccc2c(c1)S(=O)(=O)N(Cc1ccc(CC(=O)OC(C)(C)C)cc1)C(=O)N2C
MR,Optimize the molecule CC(C)(C)OC(=O)n1cc(O)c2c(Br)cccc21 to have a lower MR value.,CC(C)(C)OC(=O)n1cc(O)c2ccccc21
QED,Optimize the molecule C=C(CCC(=O)[O-])OC1CCC2C3CCc4cc(O)ccc4C3CCC12C to have a lower QED value.,C=C(CCC(=O)[O-])OC1CCC2C3CCc4ccccc4C3CCC12C
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 2 chlorine atoms, and 1 bromine atom.",Cc1c(C(=O)[O-])nn(-c2ccc(Cl)cc2Cl)c1-c1cc(Br)co1
BondNum,"The molecule is composed of 18 single bonds, 4 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1ccc2c(c1)C(=O)N(C(C)C(=O)OCc1ccc(C(=O)N3CCCC3)cc1)C2=O
FunctionalGroup,"There is a molecule consisting of 1 amide group, 2 amine groups, and 1 halo group.",CC(Cl)C1NC(=O)C2CNNC2[NH2+]1
AddComponent,Modify the molecule O=C(c1ccccc1)N1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1 by adding a benzene ring.,O=C(c1cccc(-c2ccccc2)c1)N1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1
SubComponent,Substitute a hydroxyl in the molecule COc1ccc(C(O)=C2C(=O)C(=O)N(CCC[n+]3cc[nH]c3)C2c2ccc(C)o2)cc1Cl with a nitro.,COc1ccc(C(NO)=C2C(=O)C(=O)N(CCC[n+]3cc[nH]c3)C2c2ccc(C)o2)cc1Cl
DelComponent,Modify the molecule halo by removing a Cc1c(-c2c(F)cc(S(=O)(=O)N3CC(F)(F)CC3CO)cc2F)ccc2[nH]nc(N)c12.,Cc1c(-c2ccc(S(=O)(=O)N3CC(F)(F)CC3CO)cc2F)ccc2[nH]nc(N)c12
LogP,Modify the molecule CNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2CO)CC1 to decrease its LogP value.,CNC(=O)C1CCN(c2c(O)cc([N+](=O)[O-])cc2CO)CC1
MR,Please modify the molecule COCCOc1cccc2c1CCC2=NO to decrease its MR value.,COCCOc1cccc2c1CCC2=N
QED,Please modify the molecule O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(-c2ccccn2)cc1 to increase its QED value.,O=C(C=CO)CC(=O)C=Cc1ccc(-c2ccccn2)cc1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",C=C(C)C[NH+]=C(N)NCCCOCC1CCOC1
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",O=C(Nc1cccs1)N1CC[NH+](Cc2nnnn2-c2ccc(F)c(F)c2)CC1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, and 2 halo groups.",OCc1ccc(-c2cc(F)cc(F)c2)n1Cc1ccccc1
AddComponent,Modify the molecule CC(C)NC(=O)C1(c2ccc(CC3([NH3+])CC3)cc2)CC1 by adding a hydroxyl.,CC(C)NC(=O)C1(c2ccc(CC3([NH3+])CC3)cc2O)CC1
SubComponent,Modify the molecule halo by substituting a O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)C1Cc2cc(Cl)ccc2O1 with a carboxyl.,O=C([OH])c1ccc2c(c1)CC(C(=O)Nc1ccc3nc(C4CCC4)[nH]c3c1)O2
DelComponent,Modify the molecule COc1cc(-c2ccccc2)sc1C(=O)NCCC1CCC[NH2+]C1 by removing a amide.,COc1(CCC2CCC[NH2+]C2)cc(-c2ccccc2)s-1
LogP,Modify the molecule COc1cccc(CC(=O)N2CCc3ccc(F)cc32)n1 to have a lower LogP value.,COc1cccc(CC(=O)N2CCc3ccc(NO)cc32)n1
MR,Optimize the molecule NC(=O)C1C[NH+](C2CN(CC3(O)CCCCC3)C2)C1 to have a higher MR value.,N#CC1(CN2CC([NH+]3CC(C(N)=O)C3)C2)CCCCC1
QED,Please modify the molecule CNC(=O)c1nc(-c2cccc(C(=O)NCc3ccccc3F)c2)cnc1N to decrease its QED value.,CNC(=O)c1nc(-c2cccc(C(=O)NCc3cccc(O)c3F)c2)cnc1N
AtomNum,"There is a molecule consisting of 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CCSc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1
BondNum,"There is a molecule composed of 5 single bonds, 3 rotatable bonds, and 28 aromatic bonds.",OB(O)c1c2ccccc2c(-c2ccccc2-c2ccccc2)c2ccccc12
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amine groups.",Nc1ccc(N)c(OC2CCCCC2)c1
AddComponent,Modify the molecule COc1ccc(N(C)CC(O)C[NH3+])cc1OC by adding a aldehyde.,COc1cc(N(C)CC(O)C[NH3+])cc(CC=O)c1OC
SubComponent,Substitute a halo in the molecule COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)Cc2ccccc2)cc1 with a carboxyl.,COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(=O)[OH])cc2)Cc2ccccc2)cc1
DelComponent,Please remove a Cn1nccc1C1C(CNC(=O)C2CCC3CCCCC3C2)CCC[NH+]1C from the molecule amide.,Cn1nccc1C1C(CC2CCC3CCCCC32)CCC[NH+]1C
LogP,Modify the molecule CC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)Nc1ccccc1 to increase its LogP value.,CC(Cc1ccccc1)N(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)Nc1ccccc1
MR,Please optimize the molecule CCC(O)CNC(=O)c1ccc2cc(Br)ccc2c1 to have a lower MR value.,CCC(O)CNC(=O)c1ccc2ccccc2c1
QED,Please optimize the molecule Cc1ccc(F)c(C(=O)Nc2nccs2)c1 to have a lower QED value.,Cc1cc(C(=O)Nc2nccs2)c(F)cc1-c1ccccc1
AtomNum,"There is a molecule composed of 26 carbon atoms, 11 oxygen atoms, and 1 nitrogen atom.",CC1=CC(=O)C2=C(C)CC(OC3OC(CO)C(O)C(O)C3O)C3C(C[NH+]4CCCC4C(=O)[O-])C(=O)OC3C12
BondNum,"The molecule is composed of 27 single bonds, 4 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",Cc1cc(F)ccc1NC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)c(Cl)c3)C(C)C)CC2)c1C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 2 ester groups.",CCn1c2ccccc2c2ccc(C3(c4ccccc4)C=Cc4c(C(=O)OC)c(OC(C)=O)c5ccccc5c4O3)cc21
AddComponent,Add a carboxyl to the molecule Cc1ccc(OC2CCC(NC(=O)c3ccc(Cn4ccnc4)cc3)CC2)nc1.,Cc1ccc(OC2CCC(NC(=O)c3ccc(Cn4ccnc4)cc3)(C(=O)O)CC2)nc1
SubComponent,Substitute a hydroxyl in the molecule COc1cccc(-c2ccc(O)c(C[NH+]3CCN(C=O)CC3)c2)n1 with a nitrile.,COc1cccc(-c2ccc(C#N)c(C[NH+]3CCN(C=O)CC3)c2)n1
DelComponent,Please remove a amine from the molecule CC(C)O[Si]c1ccc(N)cc1.,CC(C)O[Si]c1ccccc1
LogP,Optimize the molecule CCC(C)(CC)NS(=O)(=O)c1cc(C(=O)[O-])sc1C to have a higher LogP value.,CCC(C)(CC)S(=O)(=O)c1cc(C(=O)[O-])sc1C
MR,Optimize the molecule COc1ccc(C=CC(=O)[O-])c(C[NH+](C)CC(C)C)c1 to have a lower MR value.,COC(C=CC(=O)[O-])[NH+](C)CC(C)C
QED,Please modify the molecule COc1cc(NC(C)c2ccc(C)s2)c(OC)cc1Cl to decrease its QED value.,COc1cc(Cl)c(OC)c(O)c1NC(C)c1ccc(C)s1
AtomNum,"Please generate a molecule with 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",NC(=O)Cc1cnc2[nH]cc(-c3ccc(F)cc3)cc1-2
BondNum,"Please generate a molecule consisting 8 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",O=C1Cc2ccc(C(O)C(=O)[O-])cc2N1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amide groups, and 1 halo group.",CC(C)c1ccc(OCC(=O)NNC(=O)C2CC2)c(Br)c1
AddComponent,Please add a benzene ring to the molecule CCCNC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2)c1.,CCCNC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3ccc(C(=O)N(C)C)cc3)(c3ccccc3)CC2)c1
SubComponent,Substitute a nitro in the molecule Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cn1 with a thiol.,Cc1ccc(Oc2ccc([SH]=O)cc2C#N)cn1
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(P(c2ccccc2)c2cccc(S(=O)(=O)[O-])c2)c1.,CP(c1ccccc1)c1cccc(S(=O)(=O)[O-])c1
LogP,Modify the molecule c1ccc(Cc2cccn2Cc2ccccc2)cc1 to have a lower LogP value.,Cn1cccc1Cc1ccccc1
MR,Please optimize the molecule CC(CCl)CCc1ccc(F)cc1F to have a higher MR value.,CC(CCl)CCc1ccccc1F
QED,Modify the molecule OCc1cccc(SCC2CCC3(CCCCC3)O2)c1 to decrease its QED value.,O=CCC(Sc1cccc(CO)c1)C1CCC2(CCCCC2)O1
AtomNum,"There is a molecule with 20 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 1 fluorine atom, and 1 bromine atom.",CCOc1c(Br)cc(CC2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC
BondNum,"There is a molecule consisting of 16 single bonds, 3 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",CN1C(=O)CCc2cc(C(=O)N3CCCC3C(=O)Nc3nccs3)ccc21
FunctionalGroup,"The molecule is composed of 2 ester groups, 1 amine group, and 1 sulfide group.",COC(=O)c1sc(N2CC(C)C(C)C2)c(C(=O)OC)c1N
AddComponent,Modify the molecule CCN(C1CCC[NH2+]C1)S(=O)(=O)N1CC(C)OC(C)C1 by adding a benzene ring.,CCN(C1C[NH2+]CC(c2ccccc2)C1)S(=O)(=O)N1CC(C)OC(C)C1
SubComponent,Modify the molecule halo by substituting a COc1ccc2c(N)cc(-n3ccc(C(F)(F)F)n3)[nH+]c2c1C with a carboxyl.,COc1ccc2c(N)cc(-n3ccc(C(F)(F)C(=O)[OH])n3)[nH+]c2c1C
DelComponent,Please remove a amine from the molecule Nc1nc(NC2CCOCC2)c2ccsc2n1.,Nc1nc(C2CCOCC2)c2ccsc2n1
LogP,Modify the molecule CN(C)C(=O)CCNS(=O)(=O)c1cc(Br)c(F)cc1N to have a higher LogP value.,CCCNS(=O)(=O)c1cc(Br)c(F)cc1N
MR,Optimize the molecule COc1ccccc1C[NH2+]C1CCCN(CCCCn2c(O)ccc2O)C1c1ccccc1 to have a higher MR value.,COc1ccccc1C[NH2+]C1CCCN(CCCC(O)n2c(O)ccc2O)C1c1ccccc1
QED,Optimize the molecule CC(CS(C)(=O)=O)N(CCOc1ccc(Cl)cc1)C1CC1 to have a higher QED value.,CC(CS(C)(=O)=O)N(CCOc1ccc(S)cc1)C1CC1
AtomNum,"The molecule has 28 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",COc1cc2c(cc1OC)CN(C(=O)C1CCC[NH+](CCCC(=O)Nc3ccc4c(c3)OCO4)C1)CC2
BondNum,"Please generate a molecule with 10 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCC[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amine groups, and 1 sulfone group.",COCC(CNS(=O)(=O)c1c(N)ccc(C)c1C)OC
AddComponent,Please add a benzene ring to the molecule SCCCCCCNc1nc(NCc2ccccc2)n[nH]1.,SCCC(CCCNc1nc(NCc2ccccc2)n[nH]1)c1ccccc1
SubComponent,Please substitute a halo in the molecule CC(CC([NH3+])c1cccc(OC(F)(F)F)c1)C(C)(C)C with a nitrile.,CC(CC([NH3+])c1cccc(OC(F)(F)C#N)c1)C(C)(C)C
DelComponent,Modify the molecule benzene ring by removing a O=C(Oc1ccccc1)c1ccccc1OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1.,O=C(O)c1ccccc1OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1
LogP,Modify the molecule CC1=[NH+]CC2(CCc3c(cccc3-c3cncnc3)C2)N1 to increase its LogP value.,CC1CC2(CCc3c(cccc3-c3cncnc3)C2)N1
MR,Modify the molecule O=C1CCSC2CCCCC2(C(=O)NC2CCCCC2)N1Cc1ccco1 to have a higher MR value.,O=C1CCSC2CCCCC2(C(=O)NC2CCCC(O)C2)N1Cc1ccco1
QED,Modify the molecule Cc1ccc(C(=O)C(OC(=O)c2cnc3c(c2)c(C)nn3C)c2ccc(C)cc2)cc1 to increase its QED value.,CC(=O)C(OC(=O)c1cnc2c(c1)c(C)nn2C)c1ccc(C)cc1
AtomNum,"The molecule has 20 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1ccc(NC2CC3(CCCC3)Oc3ccccc32)cc1
BondNum,"Please generate a molecule consisting 16 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",O=C([O-])C1OC(Oc2c3c4c(ccnc4c4ccccc24)C=CN3)C(O)C(O)C1O
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 1 amine group, and 3 halo groups.",Cc1ccc(NC(=O)Nc2cc(F)c(F)c(F)c2)cc1Nc1ccc2c(c1)NC(=O)C2=Cc1ccc[nH]1
AddComponent,Modify the molecule CCC[NH+](C)Cc1ccc(-c2nc(CCl)cs2)cc1F by adding a aldehyde.,CCC[NH+](C)Cc1ccc(-c2nc(C(Cl)CC=O)cs2)cc1F
SubComponent,Substitute a halo in the molecule CCCc1nc(C(=O)N2CC(O)C(F)C2)cs1 with a hydroxyl.,CCCc1nc(C(=O)N2CC(O)C(O)C2)cs1
DelComponent,Remove a nitrile from the molecule N#Cc1c(Br)cnc(I)c1OC(F)(F)F.,FC(F)(F)Oc1cc(Br)cnc1I
LogP,Modify the molecule COc1ccc(C)cc1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1Cc2ccccc2C[NH2+]1 to decrease its LogP value.,COCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1Cc2ccccc2C[NH2+]1
MR,Optimize the molecule CC(CO)C1(C=O)CCCS1 to have a higher MR value.,CC(CO)C1(C=O)SCCC1N
QED,Modify the molecule O=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1)c1cccc2c1OCCO2 to decrease its QED value.,CC(=O)C(F)(F)c1ccc(C(F)(F)F)c(-c2ccc(NC(=O)c3cccc4c3OCCO4)cc2)c1
AtomNum,"There is a molecule composed of 21 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCOc1ccc(NC(=O)CSc2nccn(-c3ccc(OC)c(Cl)c3)c2=O)cc1
BondNum,"Please generate a molecule with 15 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1ccc([N+](=O)[O-])cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 thioether group, and 1 sulfide group.",CCCCOCCSc1cccc(C(C)[NH2+]C)c1
AddComponent,Please add a hydroxyl to the molecule CCCC1CN(CC2CCC(C)(C)O2)C(CCC)C[NH2+]1.,CCCC1CN(CC2CCC(C)(C)O2)C(CC(C)O)C[NH2+]1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1cc(C)cc(N(C)C(=O)c2cc(O)ccc2N)c1 with a halo.,Cc1cc(C)cc(N(C)C(=O)c2cc(Br)ccc2N)c1
DelComponent,Modify the molecule CCOc1ccccc1C(=O)C(Cl)c1ccc(F)cc1 by removing a benzene ring.,CCOC(=O)C(Cl)c1ccc(F)cc1
LogP,Please modify the molecule O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccc(COc2ccc(Br)cc2)o1 to decrease its LogP value.,ONc1ccc(OCc2ccc(C(=O)Nc3nc4c(s3)C(=O)CCC4)o2)cc1
MR,Please modify the molecule CCc1nc(Br)cc(OC2CCC(C)CC2)n1 to decrease its MR value.,CCc1nccc(OC2CCC(C)CC2)n1
QED,Optimize the molecule CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5ccc6[nH]c7ccccc7c6c5)cc4)cc3)cc21 to have a higher QED value.,CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6[nH]c7ccccc7c6c5)cc4)cc3)cc21
AtomNum,"There is a molecule with 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",COc1ccc(Cl)cc1[NH+]=C(N)c1ccccc1
BondNum,"The molecule contains 15 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",COc1ccc(-c2n[nH]c3c2CCN(C(=O)C2(C)CC2)CC3)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",O=C(c1ccccc1)N1CCC23CCCCCCC(CC1)(C2)[NH2+]3
AddComponent,Add a benzene ring to the molecule CCCOc1c(Br)cc(C=Nn2c(C)n[nH]c2=S)cc1OCC.,CCOc1cc(C=Nn2c(C)n[nH]c2=S)cc(Br)c1OCC(C)c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CCC(CCO)CNC(=O)c1sc2ccc(Cl)cc2c1N with a aldehyde.,CC(=O)CCC(CC)CNC(=O)c1sc2ccc(Cl)cc2c1N
DelComponent,Modify the molecule CCN1C(=O)C(=O)N(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)C1=O by removing a amide.,CCN1C(=O)C(=O)N(C[NH+]2CCC(c3ccccc3)C2)C1=O
LogP,Please modify the molecule CC(=O)Nc1cc(OCCO)cc(NC(C)=O)n1 to increase its LogP value.,CC(=O)Nc1cc(OCCO)ccn1
MR,Optimize the molecule Cc1cccc(SCC2(O)CCCC2)c1N to have a higher MR value.,Cc1cccc(SCC2(C(=O)[OH])CCCC2)c1N
QED,Optimize the molecule [NH3+]CCCC(=O)NCc1cccnc1 to have a lower QED value.,[NH3+]CCCc1cccnc1
AtomNum,"The molecule contains 13 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCCCOC(=O)CN1C(=O)NC2(CCCC2)C1=O
BondNum,"The molecule contains 4 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",O=C([O-])c1nncn1Cc1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 thioether group, and 1 sulfide group.",C[NH+]1CCCCC1CCSc1nnnn1C(C)(C)C
AddComponent,Please add a carboxyl to the molecule CCCCOc1ccc(CCCNc2ccc(OCCC)cc2)cc1.,CCCOc1ccc(NCCCc2ccc(OCCC(C)C(=O)O)cc2)cc1
SubComponent,Modify the molecule halo by substituting a CC12CCC(I)CC1OC2 with a nitro.,CC12CCC(NO)CC1OC2
DelComponent,Please remove a halo from the molecule CCCC[NH+](CC)C(C)(C)C(=O)Cl.,CCCC[NH+](CC)C(C)(C)C=O
LogP,Please optimize the molecule CCC(C(=O)NCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1 to have a lower LogP value.,CCCC(=O)NCc1nc(-c2ccc3c(c2)OCO3)no1
MR,Please optimize the molecule CN1c2ccc(Cl)cc2CC12CC[NH2+]C2 to have a higher MR value.,CN1c2cc(C(=O)O)c(Cl)cc2CC12CC[NH2+]C2
QED,Optimize the molecule O=C(Cn1c(=O)n(CCC(=O)N2CCCCC2)c(=O)c2sccc21)NCc1ccccc1 to have a higher QED value.,O=C(Cn1c(=O)n(CC2CCCC2)c(=O)c2sccc21)NCc1ccccc1
AtomNum,"The molecule consists of 17 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",Cc1[nH]c(C)c(S(=O)(=O)Nc2ccc(Cl)cc2F)c1-c1nnc(C2CC2)o1
BondNum,"Please generate a molecule with 23 single bonds, 1 double bond, 12 rotatable bonds, and 6 aromatic bonds.",CCCCCCCOC(=O)OC1CCC(O)(c2ccc(CCCCC)cc2)CC1
FunctionalGroup,"The molecule has 1 amine group, and 2 halo groups.",Cc1noc(CCNc2nc(Cl)ncc2Cl)n1
AddComponent,Modify the molecule Cc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc23)cc1 by adding a hydroxyl.,Cc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc23)c(O)c1
SubComponent,Substitute a halo in the molecule Cc1cccc(CC(=O)N(Cc2ccccc2)c2nc3c(Cl)cccc3s2)c1 with a hydroxyl.,Cc1cccc(CC(=O)N(Cc2ccccc2)c2nc3c(O)cccc3s2)c1
DelComponent,Remove a C#CCN(CC#N)C(=O)CC1CCCCO1 from the molecule nitrile.,C#CCN(C)C(=O)CC1CCCCO1
LogP,Optimize the molecule COCCOc1ccc(NS(=O)(=O)CCCCl)cn1 to have a higher LogP value.,COCCOc1ccc(S(=O)(=O)CCCCl)cn1
MR,Modify the molecule COC(OCCO)C(O)C(OC)C(C)O to decrease its MR value.,CCOC(OC)C(O)C(OC)C(C)O
QED,Please modify the molecule CCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1cc(Cl)ccc1OC to increase its QED value.,CCN(CC)C(=O)COC(=O)CCCC(=O)Nc1cc(Cl)ccc1OC
AtomNum,"There is a molecule consisting of 14 carbon atoms, 6 nitrogen atoms, and 1 bromine atom.",N#Cc1c(N2CCC([NH3+])C2)nn(-c2ccccc2Br)c1N
BondNum,"Please generate a molecule with 12 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C(=O)NCCc2ccc(F)cc2)cc(C)c1OCC(=O)[O-]
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 aldehyde group, and 2 halo groups.",CCOc1cc(F)cc(I)c1C=O
AddComponent,Modify the molecule CCCc1nccc(-c2ccccc2)n1 by adding a benzene ring.,CCCc1nc(-c2ccccc2)cc(-c2ccccc2)n1
SubComponent,Please substitute a hydroxyl in the molecule Cn1cc(CNC(=O)CCCO)c2ccccc21 with a carboxyl.,Cn1cc(CNC(=O)CCCC(=O)[OH])c2ccccc21
DelComponent,Please remove a benzene ring from the molecule CCN1C(=O)COCC1Cc1ccc(Oc2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)cc1.,CCN1C(=O)COCC1Cc1ccc(ONc2ccc([N+](=O)[O-])cn2)cc1
LogP,Modify the molecule ONC(=[NH+]c1ccccc1)c1ccnc2nc[nH]c12 to have a higher LogP value.,INC(=[NH+]c1ccccc1)c1ccnc2nc[nH]c12
MR,Optimize the molecule [NH3+]C(c1cccc(I)c1)c1cccc2ccccc12 to have a lower MR value.,[NH3+]C(c1ccccc1)c1cccc2ccccc12
QED,Modify the molecule Fc1cc(-c2cc(CBr)on2)ccc1Cl to have a higher QED value.,Oc1cc(-c2cc(CBr)on2)ccc1Cl
AtomNum,"The molecule consists of 33 carbon atoms, 5 oxygen atoms, and 1 fluorine atom.",CCCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)CC(C)CC)cc2)cc1F
BondNum,"Please generate a molecule composed of 8 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COCC(=O)NCc1ccc(S(C)(=O)=O)cc1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 2 halo groups, and 1 sulfide group.",O=C(NCc1ccccc1F)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1
AddComponent,Please add a benzene ring to the molecule Cn1nc(-c2cccc(-n3ncc4cc(C(C)(C)C)ccc4c3=O)c2CO)cc(Nc2ccc(C(O)[NH+]3CCOCC3)cn2)c1=O.,Cn1nc(-c2cccc(-n3ncc4cc(C(C)(C)C)cc(-c5ccccc5)c4c3=O)c2CO)cc(Nc2ccc(C(O)[NH+]3CCOCC3)cn2)c1=O
SubComponent,Modify the molecule [C-]#[N+]C1=C(C)NC(C2CC2)=C(C(=O)OC)C1c1ccc(Cl)cc1Cl by substituting a halo with a aldehyde.,CC(=O)c1ccc(C2C([N+]#[C-])=C(C)NC(C3CC3)=C2C(=O)OC)c(Cl)c1
DelComponent,Remove a amide from the molecule CC(=O)Nc1cc(C)ccc1N1CCCCC1.,Cc1ccc(N2CCCCC2)cc1
LogP,Modify the molecule CC1CC1C[NH+]1CCC(O)(C(F)(F)F)CC1 to decrease its LogP value.,OC1(C(F)(F)F)CC[NH+](CC2CC2CS)CC1
MR,Modify the molecule CN1C(=O)COC(C(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)C1c1ccccc1F to increase its MR value.,CC(=O)c1ccccc1C1C(C(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)OCC(=O)N1C
QED,Please optimize the molecule O=C(Cn1nc(-c2ccccc2)c(Cl)c1C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 to have a higher QED value.,O=C(Cn1ncc(Cl)c1C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 fluorine atoms.",CCOC1CC(Nc2ccc(F)cc2F)C1(C)C
BondNum,"The molecule is composed of 15 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",N#Cc1cc2c(nc1N(CC(=O)[O-])CC1CC1)CCCC2
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 5 halo groups.",O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(Cl)c(Br)c1
AddComponent,Modify the molecule CC1CC2CC3CCCC[NH+]3CC2C2CC34OC5(O)C(O)CCC3C5CC(O)C4C12O by adding a hydroxyl.,CC1CC2CC3CCCC[NH+]3CC2C2CC34OC5(O)C(O)CCC3C5CC(O)C4(O)C12O
SubComponent,Modify the molecule halo by substituting a NNC(=O)c1ccc(CSc2cc(Cl)ccc2N)c(Br)c1 with a nitrile.,N#Cc1ccc(N)c(SCc2ccc(C(=O)NN)cc2Br)c1
DelComponent,Remove a COc1ccc(C(=O)C2CCN(C(=O)Nc3ccn(Cc4ccccc4)n3)CC2)cc1 from the molecule benzene ring.,COc1ccc(C(=O)C2CCN(C(=O)Nc3ccn(C)n3)CC2)cc1
LogP,Please optimize the molecule COc1cc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)ccc1O to have a higher LogP value.,COc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)c1
MR,Optimize the molecule CC(C)CCCC(C)C1CCC2(C)C3NC(=O)C=C4CC(OC(=O)CCOc5ccc(N(CCCl)CCCl)cc5)CCC4(C)C3(C)CCC12C to have a higher MR value.,CC(C)CCCC(C)C1CCC2(C)C3NC(=O)C=C4CC(OC(=O)CCOc5ccc(N(CCS)CCCl)cc5)CCC4(C)C3(C)CCC12C
QED,Please modify the molecule CCc1ccc(-c2nc(N)c(I)c(C3CC3)n2)o1 to decrease its QED value.,CCc1ccc(-c2nc(N)c(S)c(C3CC3)n2)o1
AtomNum,"The molecule is composed of 20 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",O=C(Nc1cccnc1N1CCCC1)N1CCCC(N2CCCC2=O)CC1
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",COCCNc1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=CC(C)=O)S2
FunctionalGroup,There is a molecule with and 2 benzene ring groups.,Cc1ccc(-c2c(N(C)CCc3ccccc3)oc3ccc(C)cc23)cc1
AddComponent,Please add a hydroxyl to the molecule [NH3+]CC1(C(=O)Nc2ccccc2)COC1.,[NH3+]CC1(C(=O)Nc2ccccc2O)COC1
SubComponent,Modify the molecule halo by substituting a COc1ccc2c(Cl)c(C(=O)NC(=S)NNC(=O)COc3ccccc3OC)sc2c1 with a nitrile.,COc1ccc2c(C#N)c(C(=O)NC(=S)NNC(=O)COc3ccccc3OC)sc2c1
DelComponent,Please remove a CC12CC3(C)OC(C)(CC(C)(O1)C3(CP)c1ccc(C(C)(C)C)cc1)O2 from the molecule benzene ring.,CC12CC3(C)OC(C)(CC(C)(O1)C3(CP)C(C)(C)C)O2
LogP,Please optimize the molecule COc1ccc(C(C)NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)cc1OC to have a lower LogP value.,COc1ccc(C(C)NC(=O)C(C)Oc2cc(C)c(C#N)c(C)c2)cc1OC
MR,Please modify the molecule NC(=O)c1ccc(NC(=O)CC[NH+]2CCSC3(CCCCC3)C2)cc1Cl to increase its MR value.,NC(=O)c1ccc(NC(=O)CC[NH+]2CCSC3(CCCCC3c3ccccc3)C2)cc1Cl
QED,Please modify the molecule C[NH2+]Cc1c(C)cccc1Cl to increase its QED value.,C[NH2+]C(C#N)c1c(C)cccc1Cl
AtomNum,"The molecule has 13 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1cc(S(=O)(=O)CC2CCC(C)O2)ccc1N
BondNum,"There is a molecule composed of 16 single bonds, 3 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",CCOc1ccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1
FunctionalGroup,"The molecule is composed of 1 amide group, and 1 nitrile group.",CNC(=O)Cn1cccc(C#N)c1=O
AddComponent,Add a hydroxyl to the molecule N#Cc1ccc(C(=O)C=N)cc1.,N#Cc1ccc(C(=O)C=N)cc1O
SubComponent,Substitute a halo in the molecule CCC(C)(C)C1CCC(C[NH3+])C(Oc2ccccc2Br)C1 with a aldehyde.,CC(=O)c1ccccc1OC1CC(C(C)(C)CC)CCC1C[NH3+]
DelComponent,Modify the molecule Cc1cnc(CCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)s1 by removing a benzene ring.,Cc1cnc(CCNC(=O)N2CC(OC#N)C2)s1
LogP,Optimize the molecule COc1cc(NC(=O)NCC(C)C(=O)[O-])ccc1F to have a lower LogP value.,COc1cccc(NC(=O)NCC(C)C(=O)[O-])c1
MR,Optimize the molecule CCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(C(F)(F)F)c3)c2=O)cc1 to have a lower MR value.,CCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(C(F)F)c3)c2=O)cc1
QED,Please modify the molecule CC(C)CC([NH3+])C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)[O-])C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)[O-])C(C)O to decrease its QED value.,CC(C)CC([NH3+])C(=O)NC(Cc1ccc(S)cc1)C(=O)NC(C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)[O-])C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)[O-])C(C)O
AtomNum,"Please generate a molecule composed of 25 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CCC(C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O
BondNum,"There is a molecule composed of 41 single bonds, 6 double bonds, and 2 rotatable bonds.",CCC(C)C1OC2(C=CC1C)CC1CC(C)(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, and 1 sulfide group.",Cc1ccc(C[NH+](CC(C)C)C2CC(C(=O)NCC[NH3+])N(C(=O)c3cccs3)C2)cc1
AddComponent,Modify the molecule CC(C)(C)OC(=O)NCCCOc1ccc(Cl)cc1NC(=O)NC1=[NH+]N([O-])c2ccccc2N1[O-] by adding a benzene ring.,CC(C)(C)OC(=O)NCCCOc1ccc(Cl)c(-c2ccccc2)c1NC(=O)NC1=[NH+]N([O-])c2ccccc2N1[O-]
SubComponent,Substitute a halo in the molecule Cc1nc2c(Cl)cc(Cl)cn2c1C(=O)NC1CCCC1 with a nitrile.,Cc1nc2c(C#N)cc(Cl)cn2c1C(=O)NC1CCCC1
DelComponent,Remove a benzene ring from the molecule CCC(C)CCCc1ccccc1C(=O)C=CC(=O)[O-].,CCC(C)CCCC(=O)C=CC(=O)[O-]
LogP,Please modify the molecule Cc1c(C(=O)NCCc2nc3c(s2)CCCC3)nnn1-c1cccc(Cl)c1 to decrease its LogP value.,CC(=O)c1cccc(-n2nnc(C(=O)NCCc3nc4c(s3)CCCC4)c2C)c1
MR,Modify the molecule CCN(CC)c1ccc(NC(=O)CCn2nc(C)c(Br)c2C)cc1 to decrease its MR value.,CCN(CC)c1ccc(NC(=O)CCn2nc(C)c(C#N)c2C)cc1
QED,Modify the molecule OC(CCOCC(F)(F)F)C(F)(F)F to have a lower QED value.,CC(=O)C(CCOCC(F)(F)F)C(F)(F)F
AtomNum,"There is a molecule composed of 28 carbon atoms, 4 oxygen atoms, 6 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C=O)c2cc(C(=O)NC3=C[NH2+]CN=C3)ccc21
BondNum,"There is a molecule consisting of 7 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",Cc1cc([N+](=O)[O-])ccc1Oc1c(C)cccc1C
FunctionalGroup,The molecule contains and 2 amide groups.,CCn1cc(-c2[nH]ncc2C(=O)N2CCN(C(=O)C(C)C)CC2)cn1
AddComponent,Add a benzene ring to the molecule CC1CCC(NC(=O)C(C(N)=[NH+]O)C(C)C)C1.,CC(C)C(C(=O)NC1CCC(C)(c2ccccc2)C1)C(N)=[NH+]O
SubComponent,Please substitute a hydroxyl in the molecule OCc1ccc2c([S-])c(I)sc2c1 with a carboxyl.,O=C([OH])Cc1ccc2c([S-])c(I)sc2c1
DelComponent,Remove a C=CC1C(OCc2ccccc2)C(OCc2ccccc2)C(C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCOC)N1C(=O)OC(C)(C)C from the molecule benzene ring.,C=CC1C(OCc2ccccc2)C(OC)C(C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCOC)N1C(=O)OC(C)(C)C
LogP,Please modify the molecule CC(C)(Cc1ccccc1)[NH+](CCC(N)=O)CCN(CCc1ccc(O)c2[nH]c(=O)sc12)C1CCC(F)(F)CC1 to decrease its LogP value.,CC(C)(C)[NH+](CCC(N)=O)CCN(CCc1ccc(O)c2[nH]c(=O)sc12)C1CCC(F)(F)CC1
MR,Please optimize the molecule COc1ccc(S(=O)(=O)N2CCCC2c2ccccc2Cl)cc1 to have a higher MR value.,COc1ccc(S(=O)(=O)N2CCCC2c2c(Cl)cccc2-c2ccccc2)cc1
QED,Optimize the molecule CN1C(=O)C2C3OC(C(c4ccc(O)cc4)=C3c3ccc(O)cc3)C2C1=O to have a lower QED value.,CN1C(=O)C2C3OC(C(c4ccc(O)cc4)=C3O)C2C1=O
AtomNum,"There is a molecule with 9 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",O=C1CCN(C2CCS(=O)CC2)C1=O
BondNum,"Please generate a molecule consisting 11 single bonds, 2 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",C=C(Br)CNC(=O)c1cc2c(s1)CCCCC2
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, and 1 halo group.",O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C=NNc1cccc2ccccc12
AddComponent,Please add a hydroxyl to the molecule COCCN(Cc1cccn1Cc1ccccc1)C(=O)CN(CC(C)C)C(=O)c1ccco1.,COCCN(Cc1cccn1Cc1ccccc1)C(=O)CN(CC(C)C)C(=O)c1occc1O
SubComponent,Please substitute a halo in the molecule Cc1c(Cl)cccc1NC(=O)c1cnco1 with a thiol.,Cc1c(S)cccc1NC(=O)c1cnco1
DelComponent,Please remove a benzene ring from the molecule CC1(C([NH3+])Cc2ccc(I)cc2)CCCCO1.,CC1(C([NH3+])CI)CCCCO1
LogP,Modify the molecule Cc1cc(I)ccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 to have a lower LogP value.,Cc1c(NC(=O)NCc2ccc(C(=O)[O-])cc2)ccc(I)c1C(=O)O
MR,Please modify the molecule CCC(=CC(=O)c1c(Br)cnn1CC[NH+](C)C)CC to decrease its MR value.,CCC(=CC(=O)c1c(C#N)cnn1CC[NH+](C)C)CC
QED,Please optimize the molecule Nc1ccc(N2C(=O)C3CCCC3C2=O)c(Cl)c1 to have a lower QED value.,Nc1ccc(N2C(=O)C3CCCC3C2=O)cc1
AtomNum,"The molecule has 14 carbon atoms, 2 oxygen atoms, and 1 silicon atom.",C=C(C)C(=O)OC1(C(C)C)CC[Si](C)(C)CC1
BondNum,"Please generate a molecule composed of 18 single bonds, 4 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",COc1ccc(NC(=O)COC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1S(=O)(=O)N1CCCCC1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 3 amide groups.",CCCC(C(=O)NC(CC1CCCCC1)C(O)C[NH2+]C(C)C(=O)NCc1ccccn1)N(C)C(=O)C(CCc1ccccc1)NC(=O)OC(C)(C)C
AddComponent,Add a benzene ring to the molecule Cc1cc(C)c(S(=O)(=O)N2CCC(c3cccs3)S(=O)(=O)CC2)c(C)c1.,Cc1cc(C)c(S(=O)(=O)N2CCC(c3ccccc3)(c3cccs3)S(=O)(=O)CC2)c(C)c1
SubComponent,Please substitute a hydroxyl in the molecule CCC[P+](C)(C)CCCCO with a halo.,CCC[P+](C)(C)CCCCBr
DelComponent,Remove a hydroxyl from the molecule CC1CCC(c2ccc(-c3ccc(O)cc3F)cc2)CC1.,CC1CCC(c2ccc(-c3ccccc3F)cc2)CC1
LogP,Please optimize the molecule COc1nccnc1N(C)S(=O)(=O)c1ccc(OCC2C=NN(C(=O)c3ccccc3)C2)cc1 to have a lower LogP value.,COc1nccnc1N(C)S(=O)(=O)c1ccc(OCC2C=NN(C=O)C2)cc1
MR,Modify the molecule CCCCNNc1ccc(C)cc1 to have a lower MR value.,CCCCNc1ccc(C)cc1
QED,Optimize the molecule C[NH+]1CC(C#CI)C1 to have a lower QED value.,C#CC1C[NH+](C)C1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CCN(CCO)C(=O)NCC1(c2ccccc2Cl)CCC1
BondNum,"The molecule contains 19 single bonds, 3 double bonds, 11 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)Nc1cc(S(=O)(=O)N(CC(C)C)CC(O)C([NH3+])Cc2ccccc2)ccc1[O-]
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 nitro group, and 1 halo group.",O=C([O-])c1cnc(Oc2ccc([N+](=O)[O-])c(F)c2)nc1
AddComponent,Add a benzene ring to the molecule Oc1ccc(-c2c(-c3ccccc3)c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccc(-c3ccc(-c4c(-c5ccccc5)cc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(O)cc6)c5-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1.,Oc1ccc(-c2c(-c3ccccc3)c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccc(-c3ccc(-c4c(-c5ccccc5)cc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(O)cc6-c6ccccc6)c5-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1
SubComponent,Substitute a halo in the molecule CN(C)C(=O)COCC1C[NH+](Cc2ccc(F)cc2)CC(C)(C)O1 with a carboxyl.,CN(C)C(=O)COCC1C[NH+](Cc2ccc(C(=O)[OH])cc2)CC(C)(C)O1
DelComponent,Modify the molecule amide by removing a CC(C)Cn1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)nnc1N1CCOCC1.,CC(C)Cn1c(Sc2ccccc2C(=O)NC2CC2)nnc1N1CCOCC1
LogP,Optimize the molecule CC(c1ccc(CSc2nccc[n+]2C)cc1)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C to have a lower LogP value.,CC(c1ccc(CSc2nccc[n+]2C)c(O)c1)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
MR,Please optimize the molecule COc1ccc(C=Cc2cc(C(=O)[O-])nc(C(=O)[O-])c2)cc1 to have a lower MR value.,COC=Cc1cc(C(=O)[O-])nc(C(=O)[O-])c1
QED,Modify the molecule CC(C)C(C(=O)[O-])C1(c2cc[nH]c2)COC1 to increase its QED value.,CC(C)C(C(=O)[O-])C1(c2c[nH]cc2-c2ccccc2)COC1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 1 chlorine atom, and 1 bromine atom.",CC[NH2+]C(CCCS(=O)(=O)CC)c1ccc(Cl)c(Br)c1
BondNum,"There is a molecule composed of 20 single bonds, 3 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",CC1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccnn3C)CC2)CC(C)O1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, and 1 sulfone group.",CCNS(=O)(=O)c1ccc(N2CCCC2C(=O)[O-])cc1
AddComponent,Please add a aldehyde to the molecule Cc1ccsc1C(O)COc1ccc(Cl)cc1.,Cc1ccsc1C(O)COc1ccc(Cl)c(CC=O)c1
SubComponent,Substitute a CC(C[NH2+]Cc1ccccc1OCC#N)N1CCCCC1 in the molecule nitrile with a aldehyde.,CC(=O)COc1ccccc1C[NH2+]CC(C)N1CCCCC1
DelComponent,Please remove a benzene ring from the molecule COC(=O)c1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1.,COC(=O)NC(=O)c1ccc(C2SCCCS2)cc1
LogP,Please optimize the molecule CCC(C)C(NC(=O)C(CO)NC(=O)C(CO)NC(=O)C[NH3+])C(=O)NC(CCSC)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCC[NH3+])C(=O)[O-] to have a higher LogP value.,CCC(C)C(NC(=O)C(CO)NC(=O)C([NH3+])CO)C(=O)NC(CCSC)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCC[NH3+])C(=O)[O-]
MR,Please modify the molecule CC(Sc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 to increase its MR value.,CC(Sc1nnc(-c2ccccc2)o1)c1ccc(NO)cc1
QED,Please modify the molecule CC(C)(C[NH3+])C1(c2coc3ccccc23)COC1 to decrease its QED value.,CC(C)(C[NH3+])C1(c2c(O)oc3ccccc23)COC1
AtomNum,"There is a molecule consisting of 38 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",CCC12C=CCN(Cc3ccccc3)C(=O)C1C1C(=O)N(C(CO)Cc3ccccc3)C3C(=O)N(C4CCCCC4)CC=CC13O2
BondNum,"The molecule has 11 single bonds, 4 double bonds, 7 rotatable bonds, and 22 aromatic bonds.",O=C(COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])Nc1nc2ccccc2s1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 ester groups.",CCOC(=O)CC1c2cccc(-c3ccccc3)c2OC(=N)C1C(=O)OCC
AddComponent,Modify the molecule CSc1cncc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1 by adding a benzene ring.,CSc1cncc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2c2ccccc2)c1
SubComponent,Substitute a hydroxyl in the molecule CCC(CO)Nc1ncc(C(=O)[O-])cc1Cl with a nitrile.,CCC(CC#N)Nc1ncc(C(=O)[O-])cc1Cl
DelComponent,Modify the molecule benzene ring by removing a COc1c(C)cnc(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1C.,COc1c(C)cnc(CNC(=O)Cc2csc(C(F)(F)F)n2)c1C
LogP,Modify the molecule NS(=O)(=O)c1ccc(NC(=O)NCCc2nnc3n2CCCCC3)cc1 to have a lower LogP value.,NS(=O)(=O)NC(=O)NCCc1nnc2n1CCCCC2
MR,Please modify the molecule CC(C)(C)C1CCN(c2nc(Cl)cs2)C1 to decrease its MR value.,CC(C)(C)C1CCN(c2nccs2)C1
QED,Optimize the molecule Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C3CC[NH+](CCO)CC3)cc12 to have a lower QED value.,Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C3CC[NH+](CCO)CC3O)cc12
AtomNum,"The molecule is composed of 13 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1ccc(C(=N)c2c(C)[nH]n(C)c2=O)cc1
BondNum,"Please generate a molecule with 10 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC(=O)NCc1cccc(NCC(C)(C)C)c1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 sulfide group.",Cc1c(C(=O)Nc2ncn[nH]2)sc2nnc(C(C)C)n12
AddComponent,Modify the molecule Cc1ccc(C[NH+](CCCO)C2CCCc3ccccc32)nc1 by adding a carboxyl.,Cc1ccc(C[NH+](CCCO)C2CCCc3ccccc32)nc1C(=O)O
SubComponent,Modify the molecule nitrile by substituting a N#Cc1cc2c(nc1N1CCC(Cn3cnccc3=O)CC1)CCC2 with a hydroxyl.,O=c1ccncn1CC1CCN(c2nc3c(cc2O)CCC3)CC1
DelComponent,Remove a halo from the molecule CN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1.,CN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCc2cccc(Cl)c2)CC1
LogP,Please modify the molecule O=C([O-])c1cccc(CNC(=O)N(CCO)C2CC2)c1 to increase its LogP value.,CC(=O)CCN(C(=O)NCc1cccc(C(=O)[O-])c1)C1CC1
MR,Please modify the molecule Cc1cc(-c2ncccc2-c2ccc3nc(N)ccc3c2)ccc1F to increase its MR value.,CC(=O)c1ccc(-c2ncccc2-c2ccc3nc(N)ccc3c2)cc1C
QED,Please optimize the molecule CCOc1ccc2[nH+]ccc(N(C)CCc3ccc(OC)c(OC)c3)c2c1 to have a higher QED value.,CCOc1ccc2[nH+]ccc(N(C)CC(OC)OC)c2c1
AtomNum,"There is a molecule composed of 24 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1
BondNum,"Please generate a molecule with 10 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1CCC(=O)NC(C)c1ccc(Cl)cc1
FunctionalGroup,"The molecule is composed of 4 thioether groups, and 3 sulfide groups.",O=C([O-])C1CCc2sc(C3CSCCS3)nc21
AddComponent,Modify the molecule COc1ccc(C2O[NH+]=C(c3ccc(C(=O)[O-])cc3)N2c2ccccc2)cc1 by adding a hydroxyl.,COc1ccc(C2O[NH+]=C(c3ccc(C(=O)[O-])cc3)N2c2ccccc2)cc1O
SubComponent,Please substitute a hydroxyl in the molecule C[NH2+]C(O)(C(=O)C=C(C)C(N)=O)C(O)C(O)C(O)CO with a nitrile.,C[NH2+]C(C#N)(C(=O)C=C(C)C(N)=O)C(O)C(O)C(O)CO
DelComponent,Please remove a NNC(c1ncccc1Br)C1CCCc2cccnc21 from the molecule halo.,NNC(c1ccccn1)C1CCCc2cccnc21
LogP,Please modify the molecule O=C(NO)c1cnc(N2CCn3c(nnc3C(F)(F)F)C2)nc1 to decrease its LogP value.,O=C(NO)c1cnc(N2Cc3nnc(C(F)(F)F)n3CC2C(=O)O)nc1
MR,Modify the molecule Cn1nnc(N(C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 to decrease its MR value.,Cn1nnc(N(C(=O)C=Cc2cccc([N+](=O)[O-])c2)C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)n1
QED,Modify the molecule N#Cc1ccc(N2CCCCN2Cc2cn[nH]c2-c2ccccc2C(F)(F)F)c2ccccc12 to have a higher QED value.,N#Cc1ccc(N2CCCCN2Cc2cn[nH]c2-c2ccccc2C(F)(F)C#N)c2ccccc12
AtomNum,"The molecule contains 13 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",Nc1ccc(NC(=O)Cc2ccccc2F)cn1
BondNum,"The molecule contains 8 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",COCC([NH3+])c1nc(C)c(C(C)=O)s1
FunctionalGroup,The molecule consists of and 1 hydroxyl group.,CCC(C)[NH+]1CCCC(C)(CO)C1
AddComponent,Please add a thiol to the molecule CC1C(=O)NC(=O)CN1c1cccc(C(=O)[O-])c1N.,CC1C(=O)NC(=O)CN1c1ccc(S)c(C(=O)[O-])c1N
SubComponent,Substitute a halo in the molecule Cc1cn(-c2c(Cl)ccc3nsnc23)c(SCC(=O)[O-])[nH+]1 with a nitrile.,Cc1cn(-c2c(C#N)ccc3nsnc23)c(SCC(=O)[O-])[nH+]1
DelComponent,Modify the molecule amide by removing a C=CCn1c(SC(C)C(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O.,C=CCn1c([SH](C)c2ccc(Cl)cc2)nc2ccccc2c1=O
LogP,Modify the molecule CCCCC(O[Si](C)(C)C)C(=O)Cl to have a lower LogP value.,CCCCC(O[Si](C)(C)C)C(=O)O
MR,Optimize the molecule CCC1CCC([NH2+]CCOCC(N)=O)C1 to have a lower MR value.,CCC1CCC([NH2+]CCO)C1
QED,Modify the molecule CCNc1ncnc(NCc2ccncc2C)c1CC to increase its QED value.,CCc1ncnc(NCc2ccncc2C)c1CC
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CN(c1c(F)cccc1CC[NH3+])C1CCS(=O)(=O)C1
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",C#CC1(C(=O)OCc2ccccc2)CC1C(=O)OCC
FunctionalGroup,There is a molecule consisting of and 1 amine group.,CCCn1ncnc1Cn1cc(N)cn1
AddComponent,Modify the molecule Nc1ccc(C(O)C[NH2+]CC2CCc3cc(NS(=O)(=O)c4ccc(-n5nnn(CCCCC6CCC6)c5=O)cc4)ccc3O2)cn1 by adding a amine.,Nc1ccc(C(O)C[NH2+]CC2CCc3cc(NS(=O)(=O)c4ccc(-n5nnn(CC(N)CCC6CCC6)c5=O)cc4)ccc3O2)cn1
SubComponent,Modify the molecule halo by substituting a CC[NH2+]C(Cc1cc(F)ccc1F)C1CCCCS1 with a nitro.,CC[NH2+]C(Cc1cc(NO)ccc1F)C1CCCCS1
DelComponent,Remove a benzene ring from the molecule CNC(=O)C(Cc1ccccc1)NC(=O)C(=O)C=Cc1ccccc1.,C=CC(=O)C(=O)NC(Cc1ccccc1)C(=O)NC
LogP,Modify the molecule Cc1cc(-c2nnc(-c3ccc(Cl)cc3)o2)n[nH]1 to have a lower LogP value.,Cc1cc(-c2nnc(-c3ccccc3)o2)n[nH]1
MR,Modify the molecule COCC(O)C[NH+]1CCCC(C(C)C)CC1 to have a lower MR value.,COCCC[NH+]1CCCC(C(C)C)CC1
QED,Modify the molecule Cc1cc(=O)c([O-])cn1CCc1ccc(F)cc1 to increase its QED value.,Cc1cc(=O)c([O-])cn1CCc1ccc(C(=O)[OH])cc1
AtomNum,"Please generate a molecule consisting 9 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",[NH3+]CC(=O)n1c(C2CC2)c[nH+]c1C=O
BondNum,"There is a molecule composed of 11 single bonds, 2 double bonds, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",COC1SC(c2ccc(C#N)cc2)=NC1(C)C(N)=O
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 amine group, and 2 halo groups.",O=C(NCc1cc(-c2ccccc2)no1)C1CC(F)(F)CN1
AddComponent,Please add a hydroxyl to the molecule Cc1cc(Br)c2oc(C[NH2+]C(C)C)c(C3CC3)c2c1.,Cc1cc(Br)c2oc(C[NH2+]C(C)C)c(C3CC3)c2c1O
SubComponent,Modify the molecule Cc1nn(C)c(Cl)c1CC(=O)NCC(O)CC(C)C by substituting a hydroxyl with a thiol.,Cc1nn(C)c(Cl)c1CC(=O)NCC(S)CC(C)C
DelComponent,Remove a CCCC(C)(NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-] from the molecule benzene ring.,CCCC(C)(NC(=O)CNC(=O)CF)C(=O)[O-]
LogP,Modify the molecule CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)O)C(=O)[O-] to have a higher LogP value.,CC(O)C(NC(=O)C(CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(c1ccc(O)cc1)C(C)C(=O)[O-]
MR,Optimize the molecule Cc1cc(CC(C)(O)c2cccnc2)c2[nH]c3c(c2c1)CC[NH+](C)C3 to have a higher MR value.,Cc1cc(CC(C)(O)c2cccnc2)c2[nH]c3c(c2c1)C(c1ccccc1)C[NH+](C)C3
QED,Please modify the molecule Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 to increase its QED value.,Cc1ccc(C(=O)c2ccc(O)cc2)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1
AtomNum,"The molecule is composed of 24 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1ccc(-c2nc3cc(C)ccn3c2C=CC(=O)N2CCCCC2C)cc1
BondNum,"There is a molecule with 18 single bonds, 5 double bonds, 12 rotatable bonds, and 30 aromatic bonds.",COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(SC(C(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3)c2)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 hydroxyl groups, 2 amide groups, 1 amine group, and 1 halo group.",COc1cccc(C(CO)NC(=O)C(C)N2Cc3ncc(-c4nc(NC(C)CO)ncc4Cl)cc3C2=O)c1
AddComponent,Add a hydroxyl to the molecule CC1(C)CC1N1C(=O)NC(=O)C2(CCC2)C1=O.,CC1(C)CC1N1C(=O)NC(=O)C2(CCC2O)C1=O
SubComponent,Please substitute a nitrile in the molecule N#CCN(C1CC1)S(=O)(=O)Cc1cccc(Cl)c1 with a halo.,O=S(=O)(Cc1cccc(Cl)c1)N(CCl)C1CC1
DelComponent,Please remove a benzene ring from the molecule C[NH2+]C(CSCC(C)C)Cc1c(C)cccc1C.,CCCC(CSCC(C)C)[NH2+]C
LogP,Optimize the molecule CC1(C)CCC(n2cnc(CCl)c2)C1 to have a lower LogP value.,Cc1cn(C2CCC(C)(C)C2)cn1
MR,Modify the molecule COC1C(O)C(COP(O)(=S)OC2CC(n3cc(-c4ccco4)c(=O)[nH]c3=O)OC2CO)OC1n1cnc2c(N)ncnc21 to have a lower MR value.,COC1C(O)C(COP(O)(=S)OC2CC(n3cc(-c4ccco4)c(=O)[nH]c3=O)OC2CO)OC1n1cnc2cncnc21
QED,Please modify the molecule Cc1nn(C)c(C)c1S(=O)(=O)NCc1cncc(-c2ccsc2)c1 to decrease its QED value.,Cc1nn(C)c(C)c1S(=O)(=O)Cc1cncc(-c2ccsc2)c1
AtomNum,"There is a molecule with 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",COc1cc(-n2nnc3ccc(C(=O)[O-])cc32)ccc1F
BondNum,"There is a molecule with 22 single bonds, 4 double bonds, 10 rotatable bonds, and 24 aromatic bonds.",CC(C)Cc1ccc(C(C)C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)cc1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 hydroxyl group, 1 ester group, and 2 halo groups.",C=C(CO)c1cccc(-c2ccc(Cl)c(Cl)c2)c1C(=O)OC
AddComponent,Modify the molecule [NH3+]CC1CCCN(C(=O)c2cc3c(s2)CCCC3)C1 by adding a benzene ring.,[NH3+]CC1CCCN(C(=O)c2sc3c(c2-c2ccccc2)CCCC3)C1
SubComponent,Please substitute a halo in the molecule [NH3+]CC1CCC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)C1 with a hydroxyl.,[NH3+]CC1CCC[NH+](CC(=O)Nc2c(O)cccc2Cl)C1
DelComponent,Please remove a benzene ring from the molecule CCCCCCCCn1c(C)ccc1-c1ccc(OC)cc1.,CCCCCCCCn1c(C)ccc1OC
LogP,Please modify the molecule CN1Cc2c(C3=CC[NH+](CC(=O)N4CC(O)C4)CC3(C)C)[nH]c3nccc(c23)-c2cc(F)ccc21 to increase its LogP value.,CN1Cc2c(C3=CC(c4ccccc4)[NH+](CC(=O)N4CC(O)C4)CC3(C)C)[nH]c3nccc(c23)-c2cc(F)ccc21
MR,Please modify the molecule C[NH+](C)C1(C(O)Cc2ccc(Br)cc2F)CCCCCC1 to decrease its MR value.,C[NH+](C)C1(C(O)Cc2ccc(O)cc2F)CCCCCC1
QED,Optimize the molecule CN(c1ccc([N+](=O)[O-])cc1)c1nncn1-c1cnc(Br)s1 to have a higher QED value.,CN(c1nncn1-c1cnc(Br)s1)[N+](=O)[O-]
AtomNum,"The molecule is composed of 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(C2CCCCCN2C(=O)NC2CCS(=O)(=O)C2)cc1
BondNum,"The molecule contains 6 single bonds, 1 triple bond, 3 rotatable bonds, and 12 aromatic bonds.",N#Cc1ccc(CNc2ncncc2Cl)c(F)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amine groups, and 1 sulfone group.",C#CC(CC)NS(=O)(=O)c1ccc([O-])c(N)c1
AddComponent,Modify the molecule CC1=C2NOC(Nc3ccc(N4CC(C)[NH+](C)C(C)C4)nc3)(N=C1)N2c1ccc2c(c1)NCO2 by adding a benzene ring.,CC1=C2NOC(Nc3ccc(N4CC(C)[NH+](C)C(C)C4)nc3)(N=C1)N2c1ccc2c(c1)NC(c1ccccc1)O2
SubComponent,Please substitute a halo in the molecule CCC(Cl)CNc1ncnc2sc(C)c(C)c12 with a carboxyl.,CCC(CNc1ncnc2sc(C)c(C)c12)C(=O)[OH]
DelComponent,Please remove a benzene ring from the molecule CCOCC[NH2+]CCOc1ccc(-c2cncc(N)c2Nc2ccc3[nH]ccc3c2C)cc1.,CCOCC[NH2+]CCOc1cncc(N)c1Nc1ccc2[nH]ccc2c1C
LogP,Modify the molecule O=C(Cc1ccc(Cl)cc1)N1CCc2ccc(N3CCOCC3)cc21 to decrease its LogP value.,O=C([OH])c1ccc(CC(=O)N2CCc3ccc(N4CCOCC4)cc32)cc1
MR,Please optimize the molecule CSCCC(C)(O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 to have a lower MR value.,CSCCC(C)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
QED,Please modify the molecule CCCNC(=O)CC(c1ccc(OC)c(C)c1)C1CC1 to decrease its QED value.,CCCC(c1ccc(OC)c(C)c1)C1CC1
AtomNum,"Please generate a molecule composed of 26 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",CCCS(=O)(=O)CCOc1c(CCl)cccc1OCC
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 halo groups.",Fc1ccccc1C(Cl)c1ccc2c(c1)COC2
AddComponent,Add a hydroxyl to the molecule Cc1ccc(-c2cc(C(=O)NC3CCCNC(=O)C4CC(O)CN4C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(Cc4ccccc4)NC3=O)n[nH]2)s1.,Cc1ccc(-c2cc(C(=O)NC3CCC(O)NC(=O)C4CC(O)CN4C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(Cc4ccccc4)NC3=O)n[nH]2)s1
SubComponent,Please substitute a hydroxyl in the molecule CC(C)(CCO)Nc1ncc([N+](=O)[O-])cc1C(=O)[O-] with a aldehyde.,CC(=O)CCC(C)(C)Nc1ncc([N+](=O)[O-])cc1C(=O)[O-]
DelComponent,Modify the molecule CC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)CSc1ccccc1 by removing a halo.,CC1=Cc2c(cnn2-c2ccccc2)CC1(C)CSc1ccccc1
LogP,Optimize the molecule CC=Cc1cn(C2CC(O)C(COP(=O)(NC(C(=O)OC)C(C)C)Oc3ccccc3)O2)c(=O)[nH]c1=O to have a lower LogP value.,CC=Cc1cn(C2CC(O)C(C(OP(=O)(NC(C(=O)OC)C(C)C)Oc3ccccc3)C(=O)O)O2)c(=O)[nH]c1=O
MR,Modify the molecule Cc1cc(C)cc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c1 to decrease its MR value.,CCOC(=O)c1ccc(COc2ccc(Br)cc2)cc1
QED,Modify the molecule CCOC(=O)N1CCC(NC(N)=[NH+]CC(c2ccccc2)c2ccccc2)CC1 to decrease its QED value.,CCOC(=O)N1CCC(NC(N)=[NH+]CC(c2ccccc2)c2ccccc2-c2ccccc2)CC1
AtomNum,"The molecule is composed of 15 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC(C)CCC(O)c1cncc2ccccc12
BondNum,"The molecule contains 15 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",COC(=O)C1CCN(C(=O)Cc2cc(-c3ccc(F)cc3F)on2)CC1
FunctionalGroup,There is a molecule with and 1 amide group.,C[NH2+]CC1(C)CCCN1C(=O)CC(C)C
AddComponent,Please add a benzene ring to the molecule CCOC(=O)N1CC2CCC(O)C(C2)C1.,CCOC(=O)N1CC2CCC(O)(c3ccccc3)C(C2)C1
SubComponent,Modify the molecule halo by substituting a C[NH2+]CCN(C)S(=O)(=O)c1cc(C(=O)[O-])oc1Br with a thiol.,C[NH2+]CCN(C)S(=O)(=O)c1cc(C(=O)[O-])oc1S
DelComponent,Please remove a CC(C)(C)OC(=O)N1CC[NH2+]C(C(N)=O)C1 from the molecule amide.,CC(C)(C)OC(=O)N1CC[NH2+]C1
LogP,Modify the molecule COc1ccccc1SCCCOc1cccc(N)c1 to have a lower LogP value.,COSCCCOc1cccc(N)c1
MR,Modify the molecule CCNC(NC1C2CCOC2C1(C)C)=[NH+]CC(C)Oc1cccc(OC)c1 to decrease its MR value.,CCNC(CC(C)Oc1cccc(OC)c1)NC1C2CCOC2C1(C)C
QED,Modify the molecule CC(c1ccncc1)C([NH3+])CCc1ccccc1 to have a lower QED value.,CCC([NH3+])C(C)c1ccncc1
AtomNum,"There is a molecule with 12 carbon atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",[NH3+]CC1(C[NH2+]Cc2cc(Cl)ccc2F)CC1
BondNum,"Please generate a molecule with 19 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",Cc1nc(C(=O)N2CC[NH+](C3CCCN(C)C3)CC2)nn1-c1ccc(Cl)cc1
FunctionalGroup,"Please generate a molecule consisting 1 ketone group, 1 ester group, and 1 amide group.",CCOC(=O)C(=O)c1ccc2c(c1)N(C)C(=O)C2
AddComponent,Please add a amine to the molecule C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C(N)=S)c2)CC1.,C[NH+]1CCN(S(=O)(=O)c2cc(C(N)=S)c(F)cc2N)CC1
SubComponent,Substitute a O=C([O-])c1[nH]c2c(-c3c(N4CCOCC4)cccc3C(F)(F)F)cccc2c1CCCOc1cccc2ccccc12 in the molecule halo with a carboxyl.,O=C([O-])c1[nH]c2c(-c3c(N4CCOCC4)cccc3C(F)(F)C(=O)[OH])cccc2c1CCCOc1cccc2ccccc12
DelComponent,Please remove a benzene ring from the molecule Oc1ccc(C2=C3C=CC(=N3)C(c3ccc(O)cc3)=c3ccc([nH]3)=C(c3ccc(O)cc3)C3=NC(=C(c4ccc(O)cc4)C4CC=C2[NH2+]4)C=C3)cc1.,OC1=C2C=CC(=N2)C(c2ccc(O)cc2)=c2ccc([nH]2)=C(c2ccc(O)cc2)C2=NC(=C(c3ccc(O)cc3)C3CC=C1[NH2+]3)C=C2
LogP,Modify the molecule [NH3+]C(COCC([NH3+])C(=O)NCCCS(=O)(=O)[O-])C(=O)NCCCSOOO to have a higher LogP value.,[NH3+]C(COCC([NH3+])C(=O)NCCCS(=O)(=O)[O-])C(=O)NCCCSOO
MR,Modify the molecule CCCOc1ccc(CN2C(=O)NC(=O)C(=Cc3cc(I)c(OCCC)c(OC)c3)C2=O)cc1OC to have a lower MR value.,CCCOc1ccc(CN2C(=O)NC(=O)C(=Cc3cc(OC)c(OCCC)c(C(=O)[OH])c3)C2=O)cc1OC
QED,Optimize the molecule CCN1CNS(=O)(=O)c2cc(Oc3ccc(C)c(C)c3)ccc21 to have a lower QED value.,CCN1CS(=O)(=O)c2cc(Oc3ccc(C)c(C)c3)ccc21
AtomNum,"The molecule contains 18 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CN(C)C(=O)c1cccc(NCC(=O)N(C)C2CCCCC2)c1
BondNum,"The molecule is composed of 17 single bonds, 7 rotatable bonds, and 5 aromatic bonds.",CCCCc1nc(Cl)c(C[NH2+]C2CCOC2C2CC2)[nH]1
FunctionalGroup,"The molecule is composed of 2 amide groups, 1 halo group, and 1 nitrile group.",CC1(C)c2cc(Cl)ccc2C(=O)N1c1cncc(N2CC3(CN(C(=O)c4cncc(C#N)c4)C3)C2)c1
AddComponent,Add a benzene ring to the molecule CC1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1C.,CC1CCC(NC(=O)C(c2ccccc2)c2c[nH]c3ccccc23)CC1C
SubComponent,Modify the molecule halo by substituting a COC(=O)N1CCCC(Oc2cc(F)cc(NC(=O)Nc3ccc(C(N)=O)nc3)c2)C1 with a hydroxyl.,COC(=O)N1CCCC(Oc2cc(O)cc(NC(=O)Nc3ccc(C(N)=O)nc3)c2)C1
DelComponent,Remove a nitrile from the molecule CCOC(=O)C1CC(OCC)N2C(=C1C#N)Sc1ccccc12.,CCOC(=O)C1C=C2Sc3ccccc3N2C(OCC)C1
LogP,Please modify the molecule CNS(=O)(=O)CCNC(=O)Nc1ccc(Br)cc1 to decrease its LogP value.,CNS(=O)(=O)CCNC(=O)Nc1ccc(C#N)cc1
MR,Modify the molecule COC(=O)CN(C)C(=O)COc1ccc(Cl)c(C)c1 to decrease its MR value.,COC(=O)C(C)Oc1ccc(Cl)c(C)c1
QED,Optimize the molecule NC(=O)COc1ccc(C(N)=[NH+]OC(=O)c2ccn(COc3ccc(Br)cc3)n2)cc1 to have a lower QED value.,NC(=O)C(Oc1ccc(C(N)=[NH+]OC(=O)c2ccn(COc3ccc(Br)cc3)n2)cc1)c1ccccc1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",CNC(=O)C1=C([O-])c2cc(Cl)ccc2C(C)(C)C1=O
BondNum,"There is a molecule with 11 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",C[NH2+]CC1CCCN1c1ccc([N+](=O)[O-])c2ccncc12
FunctionalGroup,"The molecule consists of 1 amine group, and 1 nitrile group.",N#Cc1cc(N)cnc1OCCC1CCC1
AddComponent,Add a hydroxyl to the molecule CCCCSc1nc2n(n1)C(c1cc(Br)c(OCc3cccc(C)c3)c(OC)c1)C(C(C)=O)=C(C)N2.,CCCCSc1nc2n(n1)C(c1cc(Br)c(OC(O)c3cccc(C)c3)c(OC)c1)C(C(C)=O)=C(C)N2
SubComponent,Modify the molecule halo by substituting a O=C(Cn1ncc(I)cc1=O)Nc1ccccc1F with a thiol.,O=C(Cn1ncc(S)cc1=O)Nc1ccccc1F
DelComponent,Remove a benzene ring from the molecule CS(=O)(=O)N1CC[NH+](Cc2ccc(C(=O)NN)cc2)CC1.,CS(=O)(=O)N1CC[NH+](CC(=O)NN)CC1
LogP,Please optimize the molecule CC1CCN(S(=O)(=O)c2ncccc2NN)CC1O to have a higher LogP value.,CC1CCN(S(=O)(=O)c2ncccc2NN)CC1F
MR,Modify the molecule CC1=Cc2c(C)ccc(C(Cl)(Cl)c3ccccc3)c2C1 to decrease its MR value.,CC1=Cc2c(C)ccc(C(Cl)(NO)c3ccccc3)c2C1
QED,Please modify the molecule COc1ccccc1-c1cc2c(=O)n(Cc3ccc(N4CCCC4=O)cc3)ccn2n1 to increase its QED value.,COc1cc2c(=O)n(Cc3ccc(N4CCCC4=O)cc3)ccn2n1
AtomNum,"The molecule contains 17 carbon atoms, 1 nitrogen atom, and 1 sulfur atom.",c1ccc(CCc2ccsc2-c2ccccn2)cc1
BondNum,"Please generate a molecule with 15 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 1 amide group, 1 amine group, and 1 sulfone group.",Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1ccccc1-c1ccccc1
AddComponent,Add a thiol to the molecule COc1ccc(N2C(=O)C(Cc3ccc(N(C)C)cc3)c3ccccc32)cc1.,COc1ccc(N2C(=O)C(Cc3ccc(N(C)CS)cc3)c3ccccc32)cc1
SubComponent,Please substitute a halo in the molecule CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CN(S(C)(=O)=O)CC2C(=O)Nc2ccc(Cl)cc2)nc1 with a aldehyde.,CC(=O)c1ccc(NC(=O)C2CN(S(C)(=O)=O)CC2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cn2)cc1
DelComponent,Remove a halo from the molecule N#Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)c3ccc(Nc4nccc(Nc5ccc(F)cc5)n4)cc3)CC2)c1.,N#Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)c3ccc(Nc4nccc(Nc5ccccc5)n4)cc3)CC2)c1
LogP,Please modify the molecule Oc1c(C[NH+]2CCOCC2)ccc2cccnc12 to increase its LogP value.,c1cnc2cc(C[NH+]3CCOCC3)ccc2c1
MR,Please optimize the molecule CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2N)c1C to have a higher MR value.,CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(COc3ccc(Cl)cc3-c3ccccc3)n2N)c1C
QED,Modify the molecule Nc1cccc(Oc2ccccn2)c1Br to increase its QED value.,Nc1cccc(Oc2cc(C(=O)O)ccn2)c1Br
AtomNum,"There is a molecule consisting of 12 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCN(CC(N)=O)C(=O)c1cc(N)ccc1OC
BondNum,"The molecule has 23 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(CC(=O)N2CCN(C(=O)NCCCOC3CCCCC3)CC2)cc1
FunctionalGroup,"Please generate a molecule consisting 2 halo groups, 1 thioether group, and 2 sulfide groups.",CSc1cc(Br)c2scc(Cl)c2c1
AddComponent,Modify the molecule CCN(CC1CCCO1)C(=O)c1cc(C)nc(NC)c1 by adding a hydroxyl.,CCN(CC1CCC(O)O1)C(=O)c1cc(C)nc(NC)c1
SubComponent,Please substitute a hydroxyl in the molecule CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)SCCOCCOCCP(=O)([O-])[O-] with a carboxyl.,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(C(=O)[OH])CC2(C)C1(O)C(=O)SCCOCCOCCP(=O)([O-])[O-]
DelComponent,Modify the molecule NC(=O)C1CCCCN1C(=O)c1ccc(C(N)=[NH+]O)cn1 by removing a amide.,NC(=O)C1CCCCn2cc(C(N)=[NH+]O)cc1-2
LogP,Please optimize the molecule Cc1ccc(C)c(OC2CC[NH+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)c1 to have a lower LogP value.,Cc1ccc(C)c(OC2CC[NH+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3C(=O)O)CC2)c1
MR,Please optimize the molecule O=C(CSc1nnnn1C1CCCC1)NCCc1cccs1 to have a higher MR value.,O=C(O)C(Sc1nnnn1C1CCCC1)C(=O)NCCc1cccs1
QED,Optimize the molecule COCC[NH+]1CCC(C[NH+]2CCN(Cc3cccc(C)c3)CC2)CC1 to have a lower QED value.,CCN1CC[NH+](CC2CC[NH+](CCOC)CC2)CC1
AtomNum,"The molecule has 18 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",NN1CC[NH+](Cc2cc3c(cn2)CCC3)CC1=CCc1ncco1
BondNum,"The molecule has 17 single bonds, 1 double bond, and 6 rotatable bonds.",C[NH2+]C(C)(CCC[NH+]1CCN(C)CC1C)C(N)=O
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amine group, 2 halo groups, and 1 sulfone group.",CCCS(=O)(=O)CCOCCC1(c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC=CO1
AddComponent,Add a hydroxyl to the molecule O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1c(F)cccc1F.,O=C(NC1(O)CCN(c2ccc(C(F)(F)F)cn2)CC1)c1c(F)cccc1F
SubComponent,Substitute a hydroxyl in the molecule O=C(NO)c1cc2c(s1)CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2 with a nitro.,ONNC(=O)c1cc2c(s1)CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2
DelComponent,Please remove a halo from the molecule CC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)N3CC[NH+](Cc4cccc(N(C(=O)C(F)(F)F)C(C)(C)C)c4)CC3)cc2F)no1.,CC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)N3CC[NH+](Cc4cccc(N(C(=O)C(F)(F)F)C(C)(C)C)c4)CC3)cc2)no1
LogP,Optimize the molecule COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)Oc1ccccc1 to have a higher LogP value.,COc1ccc(C(=O)Nc2ccccc2)cc1COc1ccccc1
MR,Modify the molecule COc1ccc2c(c1)NC(c1cccc(Cl)c1)(C(C(=O)NC1CCCCC1)C1CCCCC1)N2 to decrease its MR value.,COc1ccc2c(c1)C(c1cccc(Cl)c1)(C(C(=O)NC1CCCCC1)C1CCCCC1)N2
QED,Optimize the molecule O=C(Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O)c1ccc(O)cc1 to have a lower QED value.,O=C(O)c1cc(O)ccc1C(=O)Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
AtomNum,"Please generate a molecule with 24 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)cc3)cc2)cc1
BondNum,"Please generate a molecule composed of 8 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",CC([NH3+])C(Sc1nncn1C)c1cnn(C)c1
FunctionalGroup,The molecule has and 1 amide group.,COC(=O)NC(C(=O)Nc1nc(C(C)C)nn1C)C(C)C
AddComponent,Add a benzene ring to the molecule CSCCCNC(NCC1CN2CC[NH+]1CC2)=[NH+]Cc1nnc(C)n1C.,CSCCCNC(NCC1CN2CC[NH+]1CC2c1ccccc1)=[NH+]Cc1nnc(C)n1C
SubComponent,Substitute a CCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1 in the molecule halo with a nitro.,CCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)Nc1ccc(C(F)(F)NO)cc1
DelComponent,Please remove a COc1ccc(C2(C(=O)N3CCC([NH+]4CC(O)CC4C(=O)NCc4cccc(OC)c4)CC3)CC2)cc1 from the molecule benzene ring.,COCNC(=O)C1CC(O)C[NH+]1C1CCN(C(=O)C2(c3ccc(OC)cc3)CC2)CC1
LogP,Modify the molecule Cc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)cc1 to have a higher LogP value.,Cc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)c(-c2ccccc2)c1
MR,Optimize the molecule COCc1nc2ncnn2c(N)c1-c1cccc(Cl)c1 to have a lower MR value.,COCc1nc2ncnn2cc1-c1cccc(Cl)c1
QED,Modify the molecule Cc1cccc(C(C)NC(=O)c2cccc(CCC(C)(C)O)c2)n1 to decrease its QED value.,CC(=O)C(C)(C)CCc1cccc(C(=O)NC(C)c2cccc(C)n2)c1
AtomNum,"The molecule is composed of 20 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",O=C(OCc1ccccc1)C1CCC[NH+]1Cc1ccc2c(c1)OCO2
BondNum,"Please generate a molecule with 12 single bonds, 4 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, 1 halo group, 2 sulfide groups, and 1 sulfone group.",Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2nncn2C)c(C)s1
AddComponent,Add a carboxyl to the molecule NSCNc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5ccc(Br)cc45)nc3c2c1.,NSCNc1ccc2c3ccccc3c3[nH]c(-c4c[nH]c5c(C(=O)O)cc(Br)cc45)nc3c2c1
SubComponent,Please substitute a hydroxyl in the molecule COC(=O)C[NH2+]C(C)C(C)O with a halo.,COC(=O)C[NH2+]C(C)C(C)Cl
DelComponent,Modify the molecule halo by removing a CCOc1cc(CO)cc(Br)c1OCC(=O)Nc1ccccc1C.,CCOc1cc(CO)ccc1OCC(=O)Nc1ccccc1C
LogP,Optimize the molecule O=C([O-])C1=CC=C(c2ccccc2)C(=O)C1 to have a higher LogP value.,O=C([O-])C1=CC=C(c2cccc(-c3ccccc3)c2)C(=O)C1
MR,Modify the molecule C[NH+](C)CCCNC(=O)c1cccc(Nc2cccnc2)c1 to have a higher MR value.,C[NH+](C)CCCNC(=O)c1cccc(Nc2cncc(-c3ccccc3)c2)c1
QED,Please modify the molecule CC(C)N(CC(N)=O)c1nccc(C#N)c1Cl to decrease its QED value.,CC(C)N(CC(N)=O)c1nccc(C#N)c1NO
AtomNum,"The molecule consists of 18 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1ccnc(NC(=O)C2CC[NH+](CC3CCCS(=O)(=O)C3)CC2)c1
BondNum,"The molecule is composed of 7 single bonds, 5 rotatable bonds, and 10 aromatic bonds.",C[NH2+]CC(C)CNc1nccc2occc12
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 2 amide groups.",CC(NC(=O)C([NH3+])Cc1ccccc1)C(=O)NCC(=O)[O-]
AddComponent,Add a aldehyde to the molecule CC[NH2+]C1CCC(c2ccccc2OC(C)C)C1C.,CC[NH2+]C1CCC(c2ccccc2OC(C)C)C1CCC=O
SubComponent,Substitute a halo in the molecule CC(C)(Br)C(=O)NC1C(C)(C)C1(C)C with a carboxyl.,CC(C)(C(=O)[OH])C(=O)NC1C(C)(C)C1(C)C
DelComponent,Remove a OCCc1cc(-c2ccc(OC(F)(F)F)cc2)nn1CC(F)(F)F from the molecule halo.,OCCc1cc(-c2ccc(OC(F)(F)F)cc2)nn1CC(F)F
LogP,Please optimize the molecule O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(N2CCCC2)n1 to have a higher LogP value.,c1ccc(N2CCCC2)n-1-c1ccc(N2CCCCC2)cc1
MR,Optimize the molecule Cn1nnc(C[NH2+]C2(CCl)CCCC2)n1 to have a lower MR value.,Cn1nnc(C[NH2+]C2(C)CCCC2)n1
QED,Optimize the molecule Nc1ccn(OP(N)(=O)On2ccc(N)nc2=O)c(=O)n1 to have a lower QED value.,Nc1ccn(OP(N)(=O)On2cc(O)c(N)nc2=O)c(=O)n1
AtomNum,"The molecule consists of 15 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COC(=O)NCC(=O)OCC(=O)c1cc(C)n(C2CC2)c1C
BondNum,"The molecule consists of 15 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",NC(=O)c1ccc(F)c(NC2CCCC(C(F)(F)F)C2)c1
FunctionalGroup,Please generate a molecule with and 1 halo group.,CCCCN(c1ncc(F)cc1C[NH2+]C)C(C)CC
AddComponent,Please add a hydroxyl to the molecule CC(=O)c1cccc(-n2nnnc2C=Cc2ccccc2)c1.,CC(=O)c1cccc(-n2nnnc2C=Cc2ccccc2)c1O
SubComponent,Substitute a hydroxyl in the molecule CCOC(=O)CCCCCN(CCCS(=O)(=O)[O-])c1cccc(O)c1 with a aldehyde.,CC(=O)c1cccc(N(CCCCCC(=O)OCC)CCCS(=O)(=O)[O-])c1
DelComponent,Modify the molecule amine by removing a CCC(=[NH2+])N1CCC[NH+](CC)CC1C.,CCCN1CCC[NH+](CC)CC1C
LogP,Optimize the molecule Cc1cc(C(=O)[O-])cc2nc(C(C)(F)F)c(CC3CCC(F)(F)CC3)n12 to have a lower LogP value.,Cc1cc(C(=O)[O-])cc2nc(C(C)F)c(CC3CCC(F)(F)CC3)n12
MR,Please modify the molecule CCc1ccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3cccc(C)c3)n2)cc1 to decrease its MR value.,CCc1ccc(NC(=O)c2nc(-c3ccc(O)cc3)n(-c3cccc(C)c3)n2)cc1
QED,Modify the molecule COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCC(C)C)cc2)C1c1ccc(OCC(C)C)cc1 to have a lower QED value.,COC(=O)c1ccccc1N1C(=O)C=C(c2ccc(OCC(C)C)cc2)C1c1ccc(OCC(C)C)cc1
AtomNum,"Please generate a molecule with 24 carbon atoms, and 4 fluorine atoms.",FCc1c2cc3ccccc3cc2c(C(F)(F)F)c2cc3ccccc3cc12
BondNum,"The molecule consists of 5 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",O=S(=O)(Nc1cn2ccccc2[nH+]1)c1ccc(Cl)c(Cl)c1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 amide group.",COc1cc(NC(=O)C([NH3+])CCc2ccccc2)ccc1-c1cn[nH]c1C
AddComponent,Add a hydroxyl to the molecule CC(NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])CS)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-].,CC(NC(=O)C(NC(=O)C([NH3+])CS)C(O)c1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]
SubComponent,Substitute a hydroxyl in the molecule COCC[NH2+]Cc1ccc(OCC(C)O)c(C(F)(F)F)c1 with a thiol.,COCC[NH2+]Cc1ccc(OCC(C)S)c(C(F)(F)F)c1
DelComponent,Remove a amide from the molecule Cc1ccc(C(=O)CCC(=O)Nc2ccccc2Cl)cc1.,Cc1ccc(C(=O)Cc2ccccc2Cl)cc1
LogP,Modify the molecule Cc1ccc(-c2csc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 to decrease its LogP value.,Cc1csc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1
MR,Modify the molecule CCC(CC)C[NH2+]CC(O)c1cccs1 to decrease its MR value.,CCC(CC)C[NH2+]CCc1cccs1
QED,Modify the molecule C[NH+](CCC([NH3+])c1cccc(Br)c1)CC1(O)CCOCC1 to decrease its QED value.,C[NH+](CCC([NH3+])Br)CC1(O)CCOCC1
AtomNum,"The molecule has 13 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",O=C(Nc1ccc(=O)[nH]n1)c1cccc2cc[nH]c12
BondNum,"Please generate a molecule with 6 single bonds, 1 double bond, 1 rotatable bond, and 10 aromatic bonds.",Cc1ncc2cc(C(=O)C(F)(F)F)sc2n1
FunctionalGroup,"The molecule has 1 benzene ring group, 3 halo groups, 1 sulfide group, and 1 sulfone group.",Cc1nnc2sc(N3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)C(C(=O)[O-])C3)nn12
AddComponent,Add a hydroxyl to the molecule CC(C)n1c(-c2cc(Br)ccc2Cl)n[nH]c1=S.,CC(C)(O)n1c(-c2cc(Br)ccc2Cl)n[nH]c1=S
SubComponent,Please substitute a halo in the molecule COc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc2ccc(-c3ccc(Cl)cc3)cc2)NC(=O)OC2CCOC2)cc1 with a nitro.,COc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc2ccc(-c3ccc(NO)cc3)cc2)NC(=O)OC2CCOC2)cc1
DelComponent,Modify the molecule halo by removing a CN(Cc1ccc(Cl)s1)c1ncc(F)cc1C[NH3+].,CN(Cc1ccc(Cl)s1)c1ncccc1C[NH3+]
LogP,Modify the molecule COc1c(Cl)ccc(Cl)c1C(=O)NCC(=O)[O-] to have a lower LogP value.,COc1c(O)ccc(Cl)c1C(=O)NCC(=O)[O-]
MR,Optimize the molecule CCC=CCC=CCC=CCC=CCCCCC(=O)OCOC1=Nc2cc(OCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)ccc2CC1 to have a higher MR value.,CCC=CCC=C(CC=CCC=CCCCCC(=O)OCOC1=Nc2cc(OCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)ccc2CC1)c1ccccc1
QED,Modify the molecule COc1ccccc1N1CC(=O)N(c2ccc(Br)cc2)C(c2ccccc2)C1=O to have a higher QED value.,COc1ccccc1N1CC(=O)N(c2ccc(O)cc2)C(c2ccccc2)C1=O
AtomNum,"The molecule contains 18 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cc1ncc(C(=O)NC2CCOC(c3cncn3C)C2)c(C2CC2)n1
BondNum,"There is a molecule composed of 14 single bonds, and 3 rotatable bonds.",C[NH2+]CC1CC12CCC(OC)CC2
FunctionalGroup,"The molecule has 1 amine group, and 1 halo group.",Brc1cncc(CNc2cnc3ccccc3c2)c1
AddComponent,Add a amine to the molecule Cc1[nH]nc2nc(-c3ccccc3O)cc(C(=O)[O-])c12.,Cc1[nH]nc2nc(-c3ccc(N)cc3O)cc(C(=O)[O-])c12
SubComponent,Substitute a hydroxyl in the molecule CCCCCCn1cc(C(=O)c2cc(O)ccc2O)ccc1=O with a thiol.,CCCCCCn1cc(C(=O)c2cc(S)ccc2O)ccc1=O
DelComponent,Remove a [NH3+]CCC(O)P(=O)([O-])[O-] from the molecule hydroxyl.,[NH3+]CCCP(=O)([O-])[O-]
LogP,Please optimize the molecule CCCCCCCCS(=O)C(Cc1ccccc1)C(=O)[O-] to have a lower LogP value.,CCCCCCCCS(=O)C(C)C(=O)[O-]
MR,Optimize the molecule Cc1ccc(C(C)[NH2+]CC2Cc3cc(Br)ccc3O2)cc1 to have a lower MR value.,Cc1ccc(C(C)[NH2+]CC2Cc3cc(C#N)ccc3O2)cc1
QED,Modify the molecule Cc1ccc(CN(CC[NH+](C)C)S(N)(=O)=O)o1 to decrease its QED value.,Cc1ccc(CN(CC[NH+](C)C)[SH](=O)=O)o1
AtomNum,"Please generate a molecule with 27 carbon atoms, and 4 oxygen atoms.",CC(C)(OC(=O)C(C(=O)OC(C)(C)C1CCCCC1)c1ccccc1)C1CCCCC1
BondNum,"There is a molecule composed of 16 single bonds, 4 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccccc3)SC2=S)c1C
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ester group, and 1 sulfone group.",Cc1cccc(OCC(=O)OCCN(C)C2=NS(=O)(=O)c3ccccc32)c1
AddComponent,Please add a carboxyl to the molecule CCN(CCC(=O)[O-])C(=O)C1=NNC(=O)CC1.,O=C([O-])CCN(CCC(=O)O)C(=O)C1=NNC(=O)CC1
SubComponent,Modify the molecule halo by substituting a CCCc1[nH]c(C2CSC(C)C(C)S2)nc(=O)c1Br with a nitro.,CCCc1[nH]c(C2CSC(C)C(C)S2)nc(=O)c1NO
DelComponent,Please remove a halo from the molecule CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)C2c2ccc(Br)cc2)c1.,CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)C2c2ccccc2)c1
LogP,Please modify the molecule CC[NH+](CC)CNCC[SiH2]C to increase its LogP value.,CC[NH+](CC)CCC[SiH2]C
MR,Modify the molecule CC1C(=O)NC(CF)=[NH+]C1=O to increase its MR value.,CC1C(=O)NC(CC(=O)[OH])=[NH+]C1=O
QED,Optimize the molecule Fc1c(-c2cncc(C[NH+]3CCCC3)c2)ncc2[nH]nc(-c3nc4c(-c5cccnc5)cncc4[nH]3)c12 to have a lower QED value.,Sc1c(-c2cncc(C[NH+]3CCCC3)c2)ncc2[nH]nc(-c3nc4c(-c5cccnc5)cncc4[nH]3)c12
AtomNum,"The molecule is composed of 21 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",CCOc1c(CNc2ccc(N3CCCCC3)c(Cl)c2)cc(Br)cc1OC
BondNum,"The molecule is composed of 17 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(=O)OC1CCC([NH3+])(CN)C(c2ccc3c(c2)OCO3)O1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 ester group.",C=C(C#Cc1ccccc1)C(C)(C)C(=O)OC
AddComponent,Please add a hydroxyl to the molecule O=C(Nc1cncnc1)C1CCCC[NH2+]C1.,O=C(Nc1cncnc1O)C1CCCC[NH2+]C1
SubComponent,Please substitute a halo in the molecule CCc1ccccc1Nc1ncc(Br)c(Nc2ccccc2NS(C)(=O)=O)n1 with a nitrile.,CCc1ccccc1Nc1ncc(C#N)c(Nc2ccccc2NS(C)(=O)=O)n1
DelComponent,Modify the molecule amine by removing a C[NH+]=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCN(C(=O)c2ccco2)CC1.,CC(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCN(C(=O)c2ccco2)CC1
LogP,Please modify the molecule COC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(I)cc2C)cc1 to decrease its LogP value.,CC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)c(C)c1
MR,Modify the molecule Cc1c(Cl)cccc1NC(=O)N1CC(CC(=O)[O-])C1 to have a higher MR value.,Cc1c(Cl)cccc1NC(=O)N1CC(CC(=O)[O-])C1C#N
QED,Modify the molecule CCN(C(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCc2cc(F)ccc21 to increase its QED value.,CCN(C(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2cccc(C(F)F)c2)o1)N1CCc2cc(F)ccc21
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CCCCC1CC(=O)N(C(=O)OC(C)(C)C)C1(CCc1ccccc1)C(=O)OCC
BondNum,"The molecule consists of 13 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",O=C1CC(N2C=[NH+]c3cccc(OCc4ccccc4)c3C2)C(=O)N1
FunctionalGroup,The molecule consists of and 1 amide group.,CC[NH+](CC)CCNC(=O)CCCOc1cccnc1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(C(CC(=O)[O-])NC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)cc1.,Cc1ccc(C(CC(=O)[O-])NC(=O)C(NC(=O)c2ccc(F)cc2O)C(C)C)cc1
SubComponent,Modify the molecule CC(C)(C)OC(=O)NC(CS(=O)C1=CCCC2C(CO)C2CC1)C(=O)OC(C)(C)C by substituting a hydroxyl with a nitrile.,CC(C)(C)OC(=O)NC(CS(=O)C1=CCCC2C(CC#N)C2CC1)C(=O)OC(C)(C)C
DelComponent,Please remove a hydroxyl from the molecule COc1cc2c(cc1OCC(C)(C)CO)CC(C(C)C)n1cc(C(=O)[O-])c(=O)cc1-2.,COc1cc2c(cc1OCC(C)(C)C)CC(C(C)C)n1cc(C(=O)[O-])c(=O)cc1-2
LogP,Please optimize the molecule COc1ccccc1OCCC(C[NH3+])c1cccc(C)c1 to have a lower LogP value.,COc1cccc(N)c1OCCC(C[NH3+])c1cccc(C)c1
MR,Modify the molecule CCC[NH+]1CCc2[nH]cnc2C12CCN(C(=O)Cn1nc(C)cc1N)CC2 to decrease its MR value.,CCC[NH+]1CCc2[nH]cnc2C12CCN(C(=O)Cn1ccc(C)n1)CC2
QED,Modify the molecule Cc1ccc(S(=O)(=O)n2ccc3c2C(O)C2OC3CC3=C2CC=N3)cc1 to decrease its QED value.,Cc1ccc(S(=O)(=O)n2ccc3c2C(O)C2OC3CC3=C2CC=N3)c(-c2ccccc2)c1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 2 fluorine atoms.",CN1C(=O)Cc2cc(C(=O)CSc3ccc(F)cc3F)ccc21
BondNum,"The molecule is composed of 9 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",Cn1c(CSc2nncs2)nnc1C1CCC1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, and 2 halo groups.",Cc1cc(Cl)ccc1NC(=O)COc1ccccc1Cl
AddComponent,Modify the molecule CCCC(=O)NCC(=O)N(C)CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 by adding a amine.,CCCC(=O)NC(N)C(=O)N(C)CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1
SubComponent,Please substitute a halo in the molecule Cc1ccc(NC(=O)C(C)Sc2nnc(-c3sc4ccccc4c3Cl)o2)cc1S(=O)(=O)N1CCOCC1 with a aldehyde.,CC(=O)c1c(-c2nnc(SC(C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)sc2ccccc12
DelComponent,Remove a Cn1c(NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccccc21 from the molecule amine.,Cn1c(N=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccccc21
LogP,Optimize the molecule CN(C)C(=O)CNc1ccc(Br)cc1Br to have a lower LogP value.,CN(C)C(=O)CNc1ccc(NO)cc1Br
MR,Modify the molecule Cc1cn(C)nc1C(=O)N(CCC[NH+]1CCOCC1)c1nc2c(Cl)cccc2s1 to have a lower MR value.,Cc1cn(C)nc1C(=O)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1
QED,Optimize the molecule COC1(C)C(O)C(COP([O-])CO)OC1n1cc(C)c2c(=O)nc(N)[nH]c21 to have a higher QED value.,COC1(C)C(O)C(COP([O-])CO)OC1n1cc(C)c2c(=O)nc[nH]c21
AtomNum,"The molecule consists of 9 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CS(=O)(=O)CCNS(=O)(=O)c1ccccc1NN
BondNum,"The molecule has 17 single bonds, 1 double bond, 11 rotatable bonds, and 16 aromatic bonds.",CCCCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, and 1 ketone group.",CCCCCCCCCCCCCCCC[N+](=C1C=CC(=C2C(=O)C(c3ccc(OCC(CCCCCC)CCCCCCCC)cn3)=C2O)N=C1)c1ccccc1
AddComponent,Please add a carboxyl to the molecule CC1CC(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CS1.,CC1CC(NC(=O)NCC2(C[NH+]3CCOCC3)CCCC(C(=O)O)C2)CS1
SubComponent,Modify the molecule halo by substituting a Cc1cc(OCC2CC2)c(C)cc1F with a carboxyl.,Cc1cc(C(=O)[OH])c(C)cc1OCC1CC1
DelComponent,Modify the molecule CCCc1nc(NCC)cc(-c2cccc3nccn23)n1 by removing a amine.,CCCc1nc(CC)cc(-c2cccc3nccn23)n1
LogP,Optimize the molecule O=C(NCc1ccco1)C1CCN(C(=O)c2ccccc2Cl)CC1 to have a lower LogP value.,CC(=O)c1ccccc1C(=O)N1CCC(C(=O)NCc2ccco2)CC1
MR,Modify the molecule CCC(C)C1NC(=O)C(CC(=O)[O-])NC(=O)c2ccccc2CSCC(C(N)=O)NC1=O to have a higher MR value.,CCC(CO)C1NC(=O)C(CC(=O)[O-])NC(=O)c2ccccc2CSCC(C(N)=O)NC1=O
QED,Please modify the molecule O=C1C2CCCCN2C(=O)CN1Cc1cnc(Cl)cn1 to increase its QED value.,O=C1C2CCCCN2C(=O)CN1Cc1cnc(Cl)c(O)n1
AtomNum,"Please generate a molecule with 19 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1cc(CNC(=O)c2ccc(N(C)C)cc2)c(C)n1C(C)C
BondNum,"The molecule consists of 12 single bonds, 1 triple bond, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)CCOCCNc1ccc(C#N)c(Br)c1F
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",COCCCOc1cnc(-c2cccc(Cc3nnc4ncc(C(=O)N(C)C)cn34)c2)nc1
AddComponent,Modify the molecule CC([NH2+]CCC1CN(c2ccc(C(F)(F)F)c(C(=O)[O-])c2)c2ccccc2O1)c1cccc2ccccc12 by adding a hydroxyl.,CC([NH2+]CCC1CN(c2cc(O)c(C(F)(F)F)c(C(=O)[O-])c2)c2ccccc2O1)c1cccc2ccccc12
SubComponent,Modify the molecule halo by substituting a Cc1cc(C)c2c3c(n(C)c2c1)-c1cc(F)ccc1C3[Si](C)(C)C with a hydroxyl.,Cc1cc(C)c2c3c(n(C)c2c1)-c1cc(O)ccc1C3[Si](C)(C)C
DelComponent,Please remove a halo from the molecule COc1ccc(-c2csc3ncnc(SCc4ccc(F)cc4)c23)cc1.,COc1ccc(-c2csc3ncnc(SCc4ccccc4)c23)cc1
LogP,Optimize the molecule Cc1ccc(C(C)C)c2c(O)cc3c(c12)C(CCl)CN3C(C)C to have a lower LogP value.,CC(=O)CC1CN(C(C)C)c2cc(O)c3c(C(C)C)ccc(C)c3c21
MR,Optimize the molecule COc1nccnc1C(=O)C1COc2ccccc2O1 to have a higher MR value.,COc1ncc(-c2ccccc2)nc1C(=O)C1COc2ccccc2O1
QED,Modify the molecule CC(C)C1CCC2(C)C3CCC45CCCC4C2(CCCO)C1[NH+]5C3 to decrease its QED value.,CC(C)C1CCC2(C)C3CCC45CCCC4C2(CCCC#N)C1[NH+]5C3
AtomNum,"The molecule has 25 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 2 fluorine atoms, and 1 chlorine atom.",O=C1COc2ccc(-c3csc(=Nc4ccc(OC(F)F)cc4)n3Cc3ccc(Cl)cc3)cc2N1
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, 7 rotatable bonds, and 5 aromatic bonds.",CC(C[NH3+])CSCC(=O)Nc1nnc(C(C)C)o1
FunctionalGroup,The molecule consists of and 1 ketone group.,CCC(C[NH3+])C(=O)Cc1ccoc1
AddComponent,Modify the molecule CC1CC(C(=O)[O-])CN(C(=O)NCc2cccnc2Oc2cccc(F)c2)C1 by adding a hydroxyl.,CC1CC(C(=O)[O-])CN(C(=O)NCc2cc(O)cnc2Oc2cccc(F)c2)C1
SubComponent,Please substitute a halo in the molecule NC(=[NH+]C=[NH+]c1ccc(OC(F)(F)F)cc1)c1ccc(C=NNC(=S)NC2CC2)cc1 with a aldehyde.,CC(=O)C(F)(F)Oc1ccc([NH+]=C[NH+]=C(N)c2ccc(C=NNC(=S)NC3CC3)cc2)cc1
DelComponent,Modify the molecule Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CC(C)CC(C)C3)C2)s1 by removing a amide.,Cc1ccc(S(=O)(=O)N2CCC3CC(C)CC(C)C3C2)s1
LogP,Please modify the molecule CCSCC(C)Nc1ccc(N)cc1C(=O)[O-] to decrease its LogP value.,CCSCC(C)Nc1c(O)cc(N)cc1C(=O)[O-]
MR,Please optimize the molecule C[NH+](C)CC1CC(n2cc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c3cncnc32)C1 to have a lower MR value.,C[NH+](C)CC1CC(n2cc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3cncnc32)C1
QED,Modify the molecule CC1CCC=C1C=CCC=C[Si](C)(C)C to increase its QED value.,CC1CCC=C1C=CC(O)C=C[Si](C)(C)C
AtomNum,"The molecule is composed of 12 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC1CN(CC#N)c2cc3c(cc2N1)OCO3
BondNum,"The molecule is composed of 11 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C(Cc1ccc([S-])cc1)NCC1CC=CCC1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 nitro group, 1 halo group, and 1 nitrile group.",COc1ccc([N+](=O)[O-])cc1Oc1cccc(Br)c1C#N
AddComponent,Add a hydroxyl to the molecule O=C(c1ccc2ccccc2n1)N1CCC2(CC1)CC(CO)N(C(=O)c1ccccc1)C2.,O=C(c1ccc2ccccc2n1)N1CCC2(CC1)CN(C(=O)c1ccccc1)C(CO)C2O
SubComponent,Please substitute a hydroxyl in the molecule Oc1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1 with a nitrile.,N#Cc1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1
DelComponent,Please remove a amine from the molecule Cn1cc(N2CC(C)(c3cc(NC(=O)Oc4ccc(Br)cn4)ccc3F)[NH+]=C(N)C2=O)cn1.,Cn1cc(N2CC(C)(c3cc(NC(=O)Oc4ccc(Br)cn4)ccc3F)C(N)C2=O)cn1
LogP,Modify the molecule O=C(C=Cc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)c(Cl)c1 to have a lower LogP value.,Nc1cc(C=CC(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)cc(C(F)(F)F)c1Cl
MR,Please modify the molecule CCOC(=O)CC1=NS(=O)(=O)c2c(ccc3oc(C)nc23)N1 to increase its MR value.,CCOC(=O)CC1=NS(=O)(=O)c2c(ccc3oc(Cc4ccccc4)nc23)N1
QED,Optimize the molecule CNC(=O)C(NC(=O)C(CC(C)C)C(O)C(=O)NO)C12CC3CC(CC(C3)C1)C2 to have a higher QED value.,CNC(=O)C(CC(C)C)(C(O)C(=O)NO)C12CC3CC(CC(C3)C1)C2
AtomNum,"The molecule is composed of 17 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC1CC(C)CC(OC(C)CC(C)([NH2+]C(C)C)C(N)=O)C1
BondNum,"There is a molecule composed of 6 single bonds, 1 triple bond, 3 rotatable bonds, and 11 aromatic bonds.",Cn1ccnc1NCc1ccc(C#N)cc1F
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 ketone group, 2 halo groups, and 1 nitrile group.",N#CCC(C(=O)c1ccc(Cl)c(Br)c1)c1ccccc1
AddComponent,Please add a thiol to the molecule CCOC(=O)[N-]C(=O)C[NH+](CC)CC(=O)Nc1cccc(C)c1.,CCOC(=O)[N-]C(=O)C[NH+](CC)CC(=O)Nc1cccc(CS)c1
SubComponent,Substitute a halo in the molecule CC(C)CN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(F)c1 with a nitro.,CC(C)CN(CC(=O)[O-])S(=O)(=O)c1ccc(NO)c(F)c1
DelComponent,Remove a amine from the molecule CC1CCSC(=[NH+]C2CCCS(=O)(=O)C2)N1.,CC1CCSC1=[NH+]C1CCCS(=O)(=O)C1
LogP,Modify the molecule CCc1ccc(NC(=O)c2ncn[nH]2)cc1 to have a lower LogP value.,CCc1ccc(NC(=O)c2ncn[nH]2)c(O)c1
MR,Modify the molecule CN1CC[NH+](Cc2ccccn2)CC(Cc2ccc(-c3cccnc3)cc2)C1=O to have a higher MR value.,CN1CC[NH+](Cc2ccccn2)CC(Cc2ccc(-c3cncc(C(=O)O)c3)cc2)C1=O
QED,Please optimize the molecule CC(C)NC(=O)C(C)NC(=O)c1cccc(Br)c1 to have a lower QED value.,CC(C)NC(=O)C(C)NC(=O)c1ccccc1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",CCc1noc(CC)c1CCCCOc1ccc(OC)cc1Cl
BondNum,"There is a molecule composed of 24 single bonds, 5 double bonds, 17 rotatable bonds, and 24 aromatic bonds.",COCCOCC(=O)Oc1ccc(C(=O)Oc2ccc(CN(CC(=O)[O-])C(=O)c3ccc(NC(=O)Cc4ccc(OC)cc4)cc3)cc2)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 3 amide groups.",CC(C)(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(N3CCOCC3)nn2)cc1
AddComponent,Please add a benzene ring to the molecule CCC[NH+](CCC)C1CCc2cc(F)c3c(ccn3C(=O)C(OC)(c3ccccc3)C(F)(F)F)c2C1.,CCC[NH+](C1CCc2cc(F)c3c(ccn3C(=O)C(OC)(c3ccccc3)C(F)(F)F)c2C1)C(CC)c1ccccc1
SubComponent,Please substitute a CC(=O)NCC1CN(c2cc(F)c(N3CCNN(C(=S)C4CC4)CC3)c(F)c2)C(=O)O1 in the molecule halo with a nitro.,CC(=O)NCC1CN(c2cc(F)c(N3CCNN(C(=S)C4CC4)CC3)c(NO)c2)C(=O)O1
DelComponent,Please remove a amine from the molecule NC(=O)C1CCC(n2c(Nc3c(F)cc(Cl)cc3F)nc3cnc(NC4CCOCC4F)nc32)CC1.,NC(=O)C1CCC(n2c(Nc3c(F)cc(Cl)cc3F)nc3cnc(C4CCOCC4F)nc32)CC1
LogP,Please modify the molecule C[NH2+]CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 to decrease its LogP value.,C[NH2+]CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1C(=O)O
MR,Optimize the molecule COc1cc(N)ccc1NC(=O)Cn1cccc1C#N to have a higher MR value.,N#Cc1cccn1CC(=O)Nc1ccc(N)cc1OCC(=O)O
QED,Please optimize the molecule CCC(CC)(CCO)CNC(=O)C(C)(C)C to have a higher QED value.,CCC(CC)(CCC(=O)[OH])CNC(=O)C(C)(C)C
AtomNum,"There is a molecule consisting of 22 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCOC(=O)C1(c2ccccc2)CC[NH+](CC(O)c2ccc(N)cc2)CC1
BondNum,"The molecule contains 21 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",CCNC(NCC(C)c1ccsc1)=[NH+]CC1(c2ccc3c(c2)OCO3)CCOCC1
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,COc1cccc(-c2cncc(-c3cc(C[NH3+])nc(-c4ccccn4)c3)c2)c1
AddComponent,Modify the molecule CC[NH2+]Cc1ccccc1NC(=O)CCCc1nc(C2CC2)no1 by adding a benzene ring.,CC[NH2+]Cc1cc(-c2ccccc2)ccc1NC(=O)CCCc1nc(C2CC2)no1
SubComponent,Substitute a hydroxyl in the molecule OCCOc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 with a aldehyde.,CC(=O)CCOc1ccc(C[NH2+]Cc2ccccc2Cl)cc1
DelComponent,Remove a hydroxyl from the molecule C[NH2+]CCc1[nH+]c2c(n1CC(O)C[NH3+])CCC(C(=O)[O-])C2.,C[NH2+]CCc1[nH+]c2c(n1CCC[NH3+])CCC(C(=O)[O-])C2
LogP,Modify the molecule CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 to decrease its LogP value.,CCOc1ccc(-c2ncccc2C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
MR,Modify the molecule O=C(NN=Cc1ccccn1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O to have a higher MR value.,O=C(NN=Cc1ccccn1)c1c(-c2ccccc2-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
QED,Modify the molecule c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc2)cc1 to have a higher QED value.,c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc2)cc1
AtomNum,"The molecule consists of 11 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Cc1cnn(CCNc2nccn(C)c2=O)c1
BondNum,"There is a molecule composed of 18 single bonds, and 3 rotatable bonds.",C1COCC2(C1)CCC[NH+](CCC1CC1)C2
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amide group.",COc1ccc(CN2CCC([NH2+]C(C)C)C2=O)cc1
AddComponent,Add a aldehyde to the molecule CC(=O)NC1(c2ccccc2)CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn23)CC1.,CC(=O)NC1(c2ccccc2)CCN(c2cc(-c3ccccc3CC=O)nc3cc(-c4cccc(F)c4)nn23)CC1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)COCCOCC(O)C1CC1 with a nitrile.,CC(C)COCCOCC(C#N)C1CC1
DelComponent,Modify the molecule benzene ring by removing a CCCCCCCC(O)c1cccc(C)c1.,CCCCCCCC(C)O
LogP,Optimize the molecule N#Cc1c(Cl)cccc1N1CC[NH+](CCC2CCC(C(C#N)C(N)=O)CC2)CC1 to have a higher LogP value.,N#CC(C(N)=O)C1CCC(CC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1
MR,Optimize the molecule O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)c1ccccc1F to have a higher MR value.,ONc1ccccc1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
QED,Please optimize the molecule Nc1cc(I)cc(-c2nc3ncnc(N)c3[nH]2)c1 to have a lower QED value.,N[IH]c1nc2ncnc(N)c2[nH]1
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 3 sulfur atoms, and 1 chlorine atom.",CCn1c(=NC(=O)CSCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)sc2cc(Cl)ccc21
BondNum,"The molecule has 5 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",Cc1ccccc1Sc1cccc(F)c1N
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 halo groups.",O=C([O-])C=Cc1cc(F)cc(Cn2cc(Cl)cn2)c1
AddComponent,Please add a amine to the molecule CNc1cc(Cl)cc(NCCOC)c1[N+](=O)[O-].,CNc1cc(Cl)cc(NCCOCN)c1[N+](=O)[O-]
SubComponent,Please substitute a Cc1cc(S(=O)(=O)N2CCOCC2)cnc1-c1ccc2c(c1)CCC(C)N2C(=O)c1ccc(O)cc1O in the molecule hydroxyl with a halo.,Cc1cc(S(=O)(=O)N2CCOCC2)cnc1-c1ccc2c(c1)CCC(C)N2C(=O)c1ccc(F)cc1O
DelComponent,Modify the molecule nitrile by removing a CC1CCC(CNc2cc[nH+]c(C#N)c2)C1.,CC1CCC(CNc2cc[nH+]cc2)C1
LogP,Please optimize the molecule Cc1ccc(C(C(C)[NH3+])N(C)Cc2cscn2)cc1 to have a lower LogP value.,CC([NH3+])C(C)N(C)Cc1cscn1
MR,Please modify the molecule Cc1ncnc(C2CCCN2C(=O)NC2(c3ccccc3)CC2)c1Cc1ccc(Cl)cc1 to decrease its MR value.,Cc1ncnc(C2CCCN2C(=O)NC2(c3ccccc3)CC2)c1Cc1ccccc1
QED,Modify the molecule Nc1[nH+]cc(OP(=O)([O-])[O-])n1C1OC(CO)C(O)C1O to have a lower QED value.,Nc1[nH+]cc(OP(=O)([O-])[O-])n1C1OC(O)(CO)C(O)C1O
AtomNum,"The molecule consists of 27 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 bromine atoms.",COc1cc(C=C(C#N)C2=NN(c3ccccc3)C(N)C2C#N)ccc1OCc1ccc(Br)cc1Br
BondNum,"There is a molecule with 17 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",C=CCOCC1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ester group, 1 amine group, 1 nitro group, 3 halo groups, and 1 nitrile group.",CC1=C(C(=O)OCCC#N)C(c2ccccc2OC(F)(F)F)C([N+](=O)[O-])=C(C)N1
AddComponent,Add a benzene ring to the molecule CC12CCCCC13CCC3C(O)CC2.,CC12CCCCC13CCC3C(O)CC2c1ccccc1
SubComponent,Modify the molecule COCC[NH2+]CC(Cc1c(Cl)c(C)nn1C)C(C)(C)C by substituting a halo with a nitrile.,COCC[NH2+]CC(Cc1c(C#N)c(C)nn1C)C(C)(C)C
DelComponent,Remove a amide from the molecule COc1ccc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1S(=O)(=O)N1CCCCC1.,COc1ccc(-n2nc(-c3ccccc3)oc2=O)cc1S(=O)(=O)N1CCCCC1
LogP,Please optimize the molecule CC(=O)C1(O)CCC2C3C(=O)C(O)C4CC(=O)C=CC4(C)C3CCC21C to have a higher LogP value.,CC(=O)C1(O)CCC2C3C(=O)C(O)C4CC(=O)C=CC4(C)C3CCC21Cc1ccccc1
MR,Please modify the molecule Cc1ccc(C)c(NC(=O)C(C#N)=c2sc(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2-c2ccccc2)c1 to decrease its MR value.,Cc1ccc(C)c(-c2(C#N)sc(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2-c2ccccc2)c1
QED,Modify the molecule Cc1ccc2[nH]c3cc(=O)cc([O-])c-3c(O)c2c1 to have a higher QED value.,Cc1ccc2[nH]c3cc(=O)cc([O-])c-3cc2c1
AtomNum,"There is a molecule with 39 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",[O-]N1OC(Oc2ccc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc21
BondNum,"Please generate a molecule composed of 11 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CCc1ccccc1NC1=[NH+]C(=O)C(=Cc2cccc(OC)c2)S1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 3 halo groups, 1 thioether group, 1 nitrile group, and 1 sulfide group.",Cc1cc(C(F)(F)F)c(C#N)c(SC(C)C(=O)Nc2ccccc2C(C)C)n1
AddComponent,Add a carboxyl to the molecule CCN1C(=O)NC(c2ccccc2C(F)(F)F)C2=C1CN(CCC(=O)N1CC[NH+](CC)CC1)C2=O.,CCN1C(=O)NC(c2ccccc2C(F)(F)F)C2=C1CN(C(CC(=O)N1CC[NH+](CC)CC1)C(=O)O)C2=O
SubComponent,Modify the molecule halo by substituting a CN(c1nc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)no1)C1CC[NH+](C)C1 with a nitro.,CN(c1nc(-c2cccc(Cn3nc(-c4cc(F)cc(NO)c4)ccc3=O)c2)no1)C1CC[NH+](C)C1
DelComponent,Modify the molecule C[NH2+]C(C)CC(O)c1cc(Br)ccc1N by removing a benzene ring.,C[NH2+]C(C)CC(N)(O)Br
LogP,Please modify the molecule CC(C)[NH+]1CCCCC(C[NH3+])C1c1sccc1Br to decrease its LogP value.,CC(C)[NH+]1CCCCC(C[NH3+])C1c1sccc1C(=O)[OH]
MR,Please modify the molecule Cc1ccc(C#N)c(NC(=O)C2CCC3C2CCC2C4C=Cc5nccn5C4CCC23)c1 to increase its MR value.,Cc1ccc(S)c(NC(=O)C2CCC3C2CCC2C4C=Cc5nccn5C4CCC23)c1
QED,Optimize the molecule Cc1n[nH]c(C)c1CC(=O)NCC(C)O to have a higher QED value.,CC(=O)C(C)CNC(=O)Cc1c(C)n[nH]c1C
AtomNum,"There is a molecule consisting of 50 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",c1ccc(-c2c(-c3cccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4oc4ccccc45)c3)c3ccccc3c3ccccc23)cc1
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=C([O-])Cc1cccc(NC(=O)CCc2ccccn2)c1
FunctionalGroup,"The molecule contains 2 amide groups, 1 halo group, and 1 sulfide group.",Cc1c(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)oc2ccc(Br)cc12
AddComponent,Please add a benzene ring to the molecule CCCCC(O)(CCCC)C(=O)NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1.,CCCCC(O)(CC(CC)c1ccccc1)C(=O)NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
SubComponent,Substitute a O=C(Nc1ccc(F)cc1)C1CCN(c2cccc(C(F)(F)F)c2)C1=O in the molecule halo with a carboxyl.,O=C([OH])c1ccc(NC(=O)C2CCN(c3cccc(C(F)(F)F)c3)C2=O)cc1
DelComponent,Modify the molecule halo by removing a CC(C)Cc1csc(CCl)n1.,Cc1nc(CC(C)C)cs1
LogP,Please optimize the molecule CN(Cc1cccc(-n2cccn2)c1)C(=O)C1C2C=CC(C2)C1[NH3+] to have a higher LogP value.,CC12C=CC(C1)C([NH3+])C2c1cccc(-n2cccn2)c1
MR,Please optimize the molecule CCC(C)CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C to have a higher MR value.,CCC(C)CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC(CCCCCCCCCCCCC(C)C)c1ccccc1)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C
QED,Please optimize the molecule CCc1nc2ccccn2c1C(=O)Nc1cc(Cl)ccc1C to have a lower QED value.,CCc1nc2ccccn2c1C(=O)Nc1cc(S)ccc1C
AtomNum,"There is a molecule consisting of 18 carbon atoms, and 2 nitrogen atoms.",CC1C[NH2+]C(c2ccccc2)CN1CC1(C2CC2)CC1
BondNum,"The molecule consists of 9 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CC(C)(C)CC(=O)NCc1cn(-c2ccncc2)nn1
FunctionalGroup,There is a molecule composed of and 3 halo groups.,[NH3+]CCc1cncn1C1(C(F)(F)F)CC1
AddComponent,Add a nitrile to the molecule CCn1cc(N)cc1C(=O)N(C)CCC(=O)OC.,CCn1cc(N)cc1C(=O)N(C)CC(C#N)C(=O)OC
SubComponent,Substitute a CN(C)c1ncc(C(O)(c2ccccc2)C(F)(F)F)c(C(F)(F)F)n1 in the molecule hydroxyl with a carboxyl.,CN(C)c1ncc(C(C(=O)[OH])(c2ccccc2)C(F)(F)F)c(C(F)(F)F)n1
DelComponent,Please remove a hydroxyl from the molecule COc1ccc2c(c1)C(=O)N(CC1(C#Cc3cncc(C(C)=NO)c3)NC(=O)NC1=O)C2.,COc1ccc2c(c1)C(=O)N(CC1(C#Cc3cncc(C(C)=N)c3)NC(=O)NC1=O)C2
LogP,Please modify the molecule CCOc1ccc(-n2c(SCC(=O)N3CCCc4ccccc43)nc3[nH]ncc3c2=O)cc1 to decrease its LogP value.,CCOn1c(SCC(=O)N2CCCc3ccccc32)nc2[nH]ncc2c1=O
MR,Please modify the molecule C[NH+](C)CCOc1cccc(C(O)(c2ccccc2)C(CCOC2CCCCO2)c2ccccc2)c1 to decrease its MR value.,C[NH+](C)CCOc1cccc(C(c2ccccc2)C(CCOC2CCCCO2)c2ccccc2)c1
QED,Please modify the molecule Cc1csc(C(C)Nc2cc(Br)nc(C)n2)n1 to decrease its QED value.,Cc1nc(Br)cc(NC(C)c2nc(CO)cs2)n1
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",CCOC(=O)C(c1ccc(Cl)cc1)c1nc(N)n(C)n1
BondNum,"Please generate a molecule composed of 6 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",O=C([O-])c1cccnc1SCc1noc(-c2ccco2)n1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 halo groups.",CCC[NH2+]C(CCCOC)Cc1cc(F)ccc1Br
AddComponent,Please add a benzene ring to the molecule [C-]#[N+]c1cn(C)c(C(=O)OCC)c1-c1ccc(-c2ccccc2SCC)cc1.,[C-]#[N+]c1cn(Cc2ccccc2)c(C(=O)OCC)c1-c1ccc(-c2ccccc2SCC)cc1
SubComponent,Substitute a halo in the molecule CCC[NH2+]C(CC(C)(C)C)c1ccc(F)c2ccccc12 with a nitro.,CCC[NH2+]C(CC(C)(C)C)c1ccc(NO)c2ccccc12
DelComponent,Please remove a halo from the molecule CC(F)N(C)C(=O)OC(C)(C)C.,CCN(C)C(=O)OC(C)(C)C
LogP,Modify the molecule CCN(Cc1cccs1)C(C[NH3+])c1cccc(C(F)F)c1 to have a higher LogP value.,CC(c1ccccc1)N(Cc1cccs1)C(C[NH3+])c1cccc(C(F)F)c1
MR,Please modify the molecule CC1(C)CC(=O)C(C(Cc2ccccc2)C2=C([O-])CC(C)(C)CC2=O)=C([O-])C1 to decrease its MR value.,CC(C1=C([O-])CC(C)(C)CC1=O)C1=C([O-])CC(C)(C)CC1=O
QED,Please optimize the molecule COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C=Cc1ccc(-c2nc3c([nH]2)c(=O)n(CC2CCC2)c(=O)n3CC2CCC2)cc1 to have a higher QED value.,COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C=Cc1nc2c([nH]1)c(=O)n(CC1CCC1)c(=O)n2CC1CCC1
AtomNum,"The molecule contains 17 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",CCNC(=O)Nc1nc2ccc3sc(Nc4ccc(Br)cc4)nc3c2s1
BondNum,"The molecule is composed of 13 single bonds, 1 double bond, 5 rotatable bonds, and 28 aromatic bonds.",Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CC[NH+](Cc5cccc6cccnc56)CC4)cc3)o2)c1
FunctionalGroup,"The molecule is composed of 1 amine group, and 1 halo group.",CC(C)CC(C)Oc1nc(N)nc(Cl)n1
AddComponent,Please add a benzene ring to the molecule Cc1cccc(Nc2ncnc3cc4c(cc23)OC(C[NH+]2CCOCC2)CO4)c1.,Cc1cccc(Nc2ncnc3cc4c(cc23)OC(C[NH+]2CCOCC2c2ccccc2)CO4)c1
SubComponent,Please substitute a [NH3+]C1CCC(Nc2cc(-c3ccccc3F)nc3ccnn23)C1 in the molecule halo with a carboxyl.,[NH3+]C1CCC(Nc2cc(-c3ccccc3C(=O)[OH])nc3ccnn23)C1
DelComponent,Modify the molecule CCC[NH2+]Cc1nc(N(C)CC2CCC[NH+]2C)ccc1Cl by removing a halo.,CCC[NH2+]Cc1cccc(N(C)CC2CCC[NH+]2C)n1
LogP,Please modify the molecule CCOc1ccc(C)cc1C(C)NC(=O)Nc1ccc(I)cc1C to decrease its LogP value.,CCOc1ccc(C)cc1C(C)(O)NC(=O)Nc1ccc(I)cc1C
MR,Please modify the molecule CC(=O)Nc1cccc2c1ncn2C(C)C to decrease its MR value.,CC(C)n1cnc2ccccc21
QED,Modify the molecule CC(=O)N1CCC(CN(C)C(=O)c2ccc(C[NH+]3CC(C)OC(C)C3)cc2)C1 to have a lower QED value.,CC(=O)N1CCC(CN(C)C(=O)c2ccc(C[NH+]3CC(C)OC(C)C3)cc2-c2ccccc2)C1
AtomNum,"There is a molecule composed of 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 2 chlorine atoms.",CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(C[NH+]2CCNOCC2)c(C(F)(F)F)c1
BondNum,"The molecule contains 10 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",COc1cccc(CC(=O)NCCc2cn(-c3ccccc3)c(C)[nH+]2)c1
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 amine group, and 1 sulfone group.",CCCCN(C)S(=O)(=O)NCC1(O)CCOC1
AddComponent,Please add a benzene ring to the molecule CC(C)C(CO)NS(=O)(=O)c1cc(F)ccc1F.,CC(Cc1ccccc1)C(CO)NS(=O)(=O)c1cc(F)ccc1F
SubComponent,Substitute a C[NH2+]CCCNC(=O)C1COc2ccc(Cl)cc2C1 in the molecule halo with a hydroxyl.,C[NH2+]CCCNC(=O)C1COc2ccc(O)cc2C1
DelComponent,Please remove a halo from the molecule CC(CC[NH2+]C1CC1)CCc1ccc(Cl)s1.,CC(CC[NH2+]C1CC1)CCc1cccs1
LogP,Modify the molecule CCC(C)C[NH+](C)CCC(N)(C#N)c1ccccc1 to have a lower LogP value.,CCC(C)C[NH+](C)CCC(N)(NO)c1ccccc1
MR,Please optimize the molecule CNn1cc(OC(=O)[O-])c(=O)c2cc(F)c3c(c21)OCC1CCCN31 to have a lower MR value.,Cn1cc(OC(=O)[O-])c(=O)c2cc(F)c3c(c21)OCC1CCCN31
QED,Please optimize the molecule CCOc1ccc(C(C)=O)cc1C[NH+]1CC(C[NH3+])C(c2ccccc2)C1 to have a lower QED value.,CCOC(C(C)=O)[NH+]1CC(C[NH3+])C(c2ccccc2)C1
AtomNum,"There is a molecule with 16 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",Cc1cc(C)c(NC(=O)NC2(C(=O)[O-])CCCC2)c(C)c1
BondNum,"The molecule consists of 9 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CCNc1ncccc1C(=O)NCc1ccc(F)c(F)c1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,CCc1nn(C)cc1-c1cc(OC)c(OC)c(OC)c1
AddComponent,Add a aldehyde to the molecule CCc1cccc(C)c1NC(=O)COC(=O)c1c(-c2ccccc2Cl)noc1C.,Cc1cccc(C(C)CC=O)c1NC(=O)COC(=O)c1c(-c2ccccc2Cl)noc1C
SubComponent,Modify the molecule halo by substituting a O=C([O-])c1ccc2cc(C(F)(F)F)ccc2c1C(=O)[O-] with a nitrile.,N#CC(F)(F)c1ccc2c(C(=O)[O-])c(C(=O)[O-])ccc2c1
DelComponent,Remove a benzene ring from the molecule CC(C)N(CCO)S(=O)(=O)c1ccccc1[O-].,CC(C)N(CCO)S(=O)(=O)[O-]
LogP,Modify the molecule OC(c1cc(Br)c(Br)s1)c1ccc(Cl)cc1Cl to decrease its LogP value.,ONC(c1cc(Br)c(Br)s1)c1ccc(Cl)cc1Cl
MR,Please optimize the molecule CCCNC(=O)CC[NH+]=C1NC(C(C)C)CCS1 to have a higher MR value.,CCCNC(=O)CC[NH+]=C1NC(N)(C(C)C)CCS1
QED,Optimize the molecule O=c1nc2n(c3c1C[NH2+]CN3)CCS2 to have a higher QED value.,O=c1nc2n(c3c1C[NH2+]C3)CCS2
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 6 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",COc1ccc(-c2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)n[nH]2)c(OC)c1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 7 rotatable bonds, and 5 aromatic bonds.",CCn1cc(N)c(C(=O)NCCOCC2CC2)n1
FunctionalGroup,"The molecule has 1 nitro group, and 3 halo groups.",O=[N+]([O-])c1cccc2ccn(CCOCC(F)(F)F)c12
AddComponent,Add a benzene ring to the molecule CC1(C)CCCC(C)(CCCCN=C=O)C1OC#N.,CC1(C)CCCC(C)(CCCCN=C=O)C1(OC#N)c1ccccc1
SubComponent,Please substitute a halo in the molecule CCC(C)C(C(=O)N1CCCC(CBr)C1)c1ccccc1 with a carboxyl.,CCC(C)C(C(=O)N1CCCC(CC(=O)[OH])C1)c1ccccc1
DelComponent,Remove a Cc1nc(Nc2nc(-c3ccccn3)cs2)cc(N2CC[NH+](C)CC2)n1 from the molecule amine.,Cc1nc(-c2nc(-c3ccccn3)cs2)cc(N2CC[NH+](C)CC2)n1
LogP,Please optimize the molecule Cc1nc(OC(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc(C)c1N to have a lower LogP value.,Cc1nc(OC(C)C(=O)NC2CC[NH+](CCl)CC2)nc(C)c1N
MR,Please optimize the molecule C=Cc1cc(I)cc(C)c1-c1ccc(C#N)cc1 to have a higher MR value.,C=Cc1cc(I)cc(C)c1-c1ccc(C#N)cc1-c1ccccc1
QED,Modify the molecule CCOC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)c2c(NC(=O)COc3ccccc3OC)scc12 to have a lower QED value.,CCOC(=O)c1nn(-c2ccc(C(C)C)c(O)c2)c(=O)c2c(NC(=O)COc3ccccc3OC)scc12
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 silicon atom.",Cc1ccc2[nH]c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(CC=O)c3c2c1
BondNum,"The molecule has 28 single bonds, 3 double bonds, and 5 rotatable bonds.",CC(=O)NCCCC(=O)N1CCOC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1
FunctionalGroup,Please generate a molecule with and 1 hydroxyl group.,Cn1cnc(C(C)(O)CC[NH3+])c1
AddComponent,Modify the molecule COC(C)(C)CC(C)[NH+]1CCCC(C)(C(=O)[O-])C1 by adding a thiol.,COC(C)(C)CC(C)[NH+]1CCCC(C)(C(=O)[O-])C1S
SubComponent,Please substitute a CCOC(=O)c1cc(Br)c(F)c(F)c1O in the molecule hydroxyl with a halo.,CCOC(=O)c1cc(Br)c(F)c(F)c1F
DelComponent,Remove a benzene ring from the molecule Cc1ccc(OCCc2nc(-c3ccccc3)sc2C)cc1.,Cc1ccc(OCCc2ncsc2C)cc1
LogP,Modify the molecule COc1cc[n+](-c2ccnc3c2OCCC3(NC(=O)c2ccc(F)cc2)c2ccc(-c3ccc[n+](-c4ccnc5c4OCCC5(NC(=O)c4ccc(F)cc4)c4ccc(-c5cnccc5C)cc4)c3OC)cc2)cc1-c1ccc(C2(NC(=O)c3ccc(F)cc3)CCOc3cccnc32)cc1 to have a lower LogP value.,COc1cc[n+](-c2ccnc3c2OCCC3(NC(=O)c2ccc(F)cc2)c2ccc(-c3ccc[n+](-c4ccnc5c4OCCC5(NC(=O)c4ccc(F)cc4)c4ccc(-c5cnccc5C)cc4)c3OC)cc2)cc1-c1ccc(C2(NC(=O)F)CCOc3cccnc32)cc1
MR,Optimize the molecule Cc1ccc2nc(Nc3ccc(-c4cnc(OCC5(C(=O)[O-])CC5)nc4)cc3)sc2c1 to have a lower MR value.,Cc1ccc2nc(Nc3cnc(OCC4(C(=O)[O-])CC4)nc3)sc2c1
QED,Modify the molecule CCCCOc1ccc(Nc2ncnc(Nc3ccc(NC(C)=O)cc3)c2N)cc1 to increase its QED value.,CCCCOc1ccc(Nc2ncnc(Nc3ccccc3)c2N)cc1
AtomNum,"The molecule has 17 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cc1ccc(NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)cc1
BondNum,"The molecule has 13 single bonds, 1 double bond, 10 rotatable bonds, and 17 aromatic bonds.",CCCCCc1ccccc1Oc1cc2ccccc2c(CCCC)c1C(N)=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",CCCOC(C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1
AddComponent,Please add a hydroxyl to the molecule C#CCn1c(=NC(=O)c2cc(C)n(C)n2)sc2cc(C(=O)OCC)ccc21.,CCOC(=O)c1ccc2c(c1)sc(=NC(=O)c1cc(C)n(C)n1)n2CC#CO
SubComponent,Substitute a halo in the molecule CCC1CCCC1(O)c1ccc(Cl)s1 with a nitrile.,CCC1CCCC1(O)c1ccc(C#N)s1
DelComponent,Please remove a amide from the molecule Cc1ncsc1CNC(=O)COc1ccccc1N.,Cc1ncsc1COc1ccccc1N
LogP,Modify the molecule Clc1cc(NCc2ncon2)nc(Cl)n1 to have a lower LogP value.,Sc1cc(NCc2ncon2)nc(Cl)n1
MR,Modify the molecule CCc1nc(NC(C)C)c2c(C)nn(-c3ccc(C)cc3)c2n1 to have a lower MR value.,CCc1nc(C(C)C)c2c(C)nn(-c3ccc(C)cc3)c2n1
QED,Please modify the molecule C=C(C(C)=C([NH+]=CN)C(=O)N1CCC([NH2+]C2CCOCC2OC)CC1)[NH+]1CCc2ccc(C(F)(F)F)cc2C1 to increase its QED value.,C=C(C(C)=C(CN)C(=O)N1CCC([NH2+]C2CCOCC2OC)CC1)[NH+]1CCc2ccc(C(F)(F)F)cc2C1
AtomNum,"The molecule has 22 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, and 4 fluorine atoms.",COc1cc(CC(OC(C)C)C(=O)[O-])ccc1NC(=O)OCc1ccc(C(F)(F)F)cc1F
BondNum,"The molecule has 9 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",[NH3+]CC(Nc1cc(F)ccc1Cl)c1cc(F)ccc1Br
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,CCN(CCC(=O)[O-])C(=O)c1cc2cc(OC)ccc2[nH]1
AddComponent,Add a benzene ring to the molecule O=C(NCc1ccc(OC(F)F)cc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1.,O=C(NCc1ccc(OC(F)F)cc1)C1CCN(C(=O)c2ccc(F)cc2F)C(c2ccccc2)C1
SubComponent,Modify the molecule CCc1ccc(-c2csc3ncn(C(C)C(=O)Nc4ccc(O)cc4)c(=O)c23)cc1 by substituting a hydroxyl with a thiol.,CCc1ccc(-c2csc3ncn(C(C)C(=O)Nc4ccc(S)cc4)c(=O)c23)cc1
DelComponent,Please remove a amine from the molecule NC1C[NH2+]C(c2nc3ccccc3o2)C1.,c1ccc2oc(C3CCC[NH2+]3)nc2c1
LogP,Modify the molecule COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 to have a lower LogP value.,COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1
MR,Modify the molecule CCOC(=O)c1cccc(CC(=O)CCCNC(=O)NC23CC4CC(CC(C4)C2)C3)c1 to have a lower MR value.,CCOC(=O)CC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2
QED,Modify the molecule Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)CC(C)(C)O to decrease its QED value.,Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)CC(C)(C)S
AtomNum,"Please generate a molecule with 14 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCc1ccccc1C([NH2+]C)C1CCOC1
BondNum,"Please generate a molecule composed of 23 single bonds, 2 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",CCO[P+]([O-])(OCC)C(C(=O)OC(C)(C)C)C(C[N+](=O)[O-])c1ccc2c(c1)OCO2
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 1 amine group, and 1 sulfone group.",O=S1(=O)CCC(NC2CCCC2O)C1
AddComponent,Add a benzene ring to the molecule COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)CC(c1ccc(OC)cc1)C3.,COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C(c1ccccc1)C(c1ccc(OC)cc1)C3
SubComponent,Please substitute a halo in the molecule O=C(Nc1ccsc1C(=O)[O-])C(Cl)=C(Cl)Cl with a carboxyl.,O=C([OH])C(C(=O)Nc1ccsc1C(=O)[O-])=C(Cl)Cl
DelComponent,Remove a amide from the molecule CC(C)(CO)NC(=O)CCNS(=O)(=O)c1cccs1.,CC(C)(CO)CNS(=O)(=O)c1cccs1
LogP,Please optimize the molecule N#CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 to have a higher LogP value.,CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1
MR,Modify the molecule CCCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]Cc4cccc(C(F)(F)F)c4)cc13)N(CC)S(=O)(=O)CC2 to decrease its MR value.,CCCc1cn2c3c(cc(C(=O)NC(Cc4ccccc4)C(O)C[NH2+]Cc4cccc(C(F)F)c4)cc13)N(CC)S(=O)(=O)CC2
QED,Modify the molecule O=C(C=Cc1ccccc1O)NCc1cccc(O)c1 to have a lower QED value.,O=C(C=Cc1cccc(O)c1O)NCc1cccc(O)c1
AtomNum,"There is a molecule composed of 18 carbon atoms, 1 nitrogen atom, and 2 chlorine atoms.",Clc1ccc(C2CCCC3C[NH+](CC4CC4)CC32)cc1Cl
BondNum,"The molecule consists of 13 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COC(=O)c1ccc(CNc2nccc(C)c2[N+](=O)[O-])nc1C1CC1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 nitro group.",C#Cc1cc(C(=O)[O-])cc([N+](=O)[O-])c1
AddComponent,Add a benzene ring to the molecule Cc1nc2ncc(CC(=O)[O-])c-2c(C)[nH]1.,Cc1nc2ncc(C(C(=O)[O-])c3ccccc3)c-2c(C)[nH]1
SubComponent,Substitute a hydroxyl in the molecule CCC1C=CC2=C(C(=O)c3cc4c(c([O-])c3C2=O)C([NH2+]CCN(C)C)CC(O)C4)C12OCCO2 with a aldehyde.,CC(=O)C1Cc2cc3c(c([O-])c2C([NH2+]CCN(C)C)C1)C(=O)C1=C(C3=O)C2(OCCO2)C(CC)C=C1
DelComponent,Remove a halo from the molecule O=C([O-])c1ccc2c(I)csc2c1[S-].,O=C([O-])c1ccc2ccsc2c1[S-]
LogP,Modify the molecule CC1(C)C=C2Nc3ccc4ccccc4c3C(c3ccc(F)cc3)C2C(=O)C1 to decrease its LogP value.,CC1(C)C=C2Nc3ccc4ccccc4c3C(F)C2C(=O)C1
MR,Modify the molecule COC(=O)c1ccc(C[NH2+]CC2(O)CCc3ccccc32)cc1 to have a higher MR value.,COC(=O)c1ccc(C[NH2+]CC2(Br)CCc3ccccc32)cc1
QED,Modify the molecule COc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1OC(F)F to have a lower QED value.,COc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)c(C(=O)O)c2)ccc1OC(F)F
AtomNum,"The molecule contains 21 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1ccc(C(CNC(=O)c2cc(-c3ccccc3)on2)[NH+](C)C)cc1
BondNum,"There is a molecule composed of 12 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",COCC([NH3+])C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 1 amide group, 1 amine group, and 3 halo groups.",O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1
AddComponent,Please add a nitrile to the molecule O=C(CSc1n[nH]c(-c2ccccc2O)n1)NNC(=O)Cc1ccccc1.,N#Cc1ccc(CC(=O)NNC(=O)CSc2n[nH]c(-c3ccccc3O)n2)cc1
SubComponent,Substitute a halo in the molecule C=CC(Br)=CC=CC#N with a carboxyl.,C=CC(=CC=CC#N)C(=O)[OH]
DelComponent,Modify the molecule COCC(Cl)CCNc1ncnc2c1CCCCC2 by removing a amine.,COCC(Cl)CCc1ncnc2c1CCCCC2
LogP,Optimize the molecule CC(C)C1OCCCC1Nc1ccnc(N2CC(=O)N(C)C(C)C2)n1 to have a higher LogP value.,CC(C)C1OCCCC1Nc1ccnc(N2CC2(C)C)n1
MR,Modify the molecule O=C(NC1CCCc2ccccc21)C1CC[NH+](C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 to have a higher MR value.,ONc1ccccc1C(=O)N1CCC([NH+]2CCC(C(=O)NC3CCCc4ccccc43)CC2)CC1
QED,Modify the molecule O=C([O-])CC1CCc2c1[nH]c1ccc(-c3noc(-c4cc(OC(F)(F)F)cc(-c5cnccc5F)c4)n3)cc21 to increase its QED value.,N#CC(F)(F)Oc1cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)[O-])no2)cc(-c2cnccc2F)c1
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC1(C)Cc2cccc(C3CC(=O)Nc4[nH]ncc43)c2O1
BondNum,"The molecule consists of 11 single bonds, 3 double bonds, 1 rotatable bond, and 6 aromatic bonds.",N=CC1=NCCC2(C1)OC(=O)Nc1ccccc12
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfide group.",CCc1nnc(NC(=O)c2ccccc2F)s1
AddComponent,Add a hydroxyl to the molecule CC1=C(C(=O)OCCN=[N+]=[N-])C(c2ccc(F)cc2Cl)C2C(C)C2(c2ccncc2)[NH2+]1.,CC1=C(C(=O)OCCN=[N+]=[N-])C(c2c(O)cc(F)cc2Cl)C2C(C)C2(c2ccncc2)[NH2+]1
SubComponent,Substitute a halo in the molecule COC(=O)c1cccc(-c2nc(-c3nnn(-c4ccc(F)cc4)c3C)no2)c1 with a carboxyl.,COC(=O)c1cccc(-c2nc(-c3nnn(-c4ccc(C(=O)[OH])cc4)c3C)no2)c1
DelComponent,Modify the molecule amide by removing a CCC[NH2+]C(CN1CC(C(C)C)CC1=O)C(C)C.,CCC[NH2+]C(C(C)C)C1CC1C(C)C
LogP,Please optimize the molecule CC(=O)NC1C(OC2C(O)C(O)C(C(N)=O)OC2P(=O)([O-])OCCOCC=C(C)CCC=C(C)CCC=C(C)C)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(=O)CN=[N+]=[N-])C1O to have a lower LogP value.,CC(=O)NC1C(OC2C(O)C(O)C(C(N)=O)OC2P(=O)([O-])OCCOCC=C(C)CCC=C(C)CCC=C(C)C)OC(CO)C(OC2OC(O)(CO)C(O)C(O)C2NC(=O)CN=[N+]=[N-])C1O
MR,Modify the molecule Fc1ccnc(N2CC[NH+](Cc3c[nH+]c(-c4ccccc4F)[nH]3)CC2)n1 to have a higher MR value.,CC(=O)c1ccnc(N2CC[NH+](Cc3c[nH+]c(-c4ccccc4F)[nH]3)CC2)n1
QED,Modify the molecule CC(=O)N1CCOc2ccc(NC(=O)C3CCC3)cc21 to have a lower QED value.,O=C(Nc1ccc2c(c1)N(C(=O)CO)CCO2)C1CCC1
AtomNum,"Please generate a molecule composed of 37 carbon atoms, 9 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",O=C([O-])CCCOc1cccc(COc2cc(C(=O)NCCc3ccc(F)cc3)cc(-c3ccc4c(c3)OCCO4)c2)c1CCC(=O)[O-]
BondNum,"Please generate a molecule with 16 single bonds, 3 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",Cc1ccccc1N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O
FunctionalGroup,"The molecule has 1 benzene ring group, and 3 halo groups.",CCN(c1ccc(C(=O)[O-])cc1C(F)(F)F)C(C)C
AddComponent,Modify the molecule CCNC(NCCc1nnc2n1CCCCC2)=[NH+]CCOCCC(C)C by adding a hydroxyl.,CCNC(NCCc1nnc2n1CCCCC2)=[NH+]CCOCC(O)C(C)C
SubComponent,Please substitute a C[NH+]=C(NCC(c1ccc(Cl)cc1)[NH+](C)C)N1CCC(OCCCOC)CC1 in the molecule halo with a nitrile.,C[NH+]=C(NCC(c1ccc(C#N)cc1)[NH+](C)C)N1CCC(OCCCOC)CC1
DelComponent,Modify the molecule hydroxyl by removing a CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OC1C(O)C(O)C(O)C(O)C1O.,CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OC1C(O)CC(O)C(O)C1O
LogP,Modify the molecule COc1cc(C=C(C#N)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 to decrease its LogP value.,COc1cc(C=C(C#N)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1
MR,Please modify the molecule C=CCN=C1C(=O)C2=C(C(=O)C1C)N1CC3[NH2+]C3C1(OC)C2COC(N)=O to increase its MR value.,C=CCN=C1C(=O)C2=C(C(=O)C1CO)N1CC3[NH2+]C3C1(OC)C2COC(N)=O
QED,Please modify the molecule CCC(Cc1ccccc1)C(=O)O[Si] to decrease its QED value.,CCC(C)C(=O)O[Si]
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC(C)(C)CC(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
BondNum,"The molecule has 52 single bonds, 7 double bonds, 20 rotatable bonds, and 32 aromatic bonds.",Cc1cn(C2CC(OP(=O)([O-])OP(=O)(OC3C(C[NH3+])OC(n4cnc5c(=O)nc(N)[nH]c54)C3O)OP(=O)(OC3C(C[NH3+])OC(n4ccc(N)nc4=O)C3O)OC3C(C[NH3+])OC(n4cnc5c(N)ncnc54)C3O)C(C[NH3+])O2)c(=O)[nH]c1=O
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ketone group, and 1 amide group.",CC(=O)c1c[nH]c(C(=O)N2CC(C(=O)[O-])C(c3ccccc3)C2)c1
AddComponent,Please add a aldehyde to the molecule CC(C)NC(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1.,CC(CCC=O)NC(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1
SubComponent,Modify the molecule halo by substituting a [NH3+]CC1CCC(C(=O)Cc2cccc(F)c2Br)O1 with a nitro.,[NH3+]CC1CCC(C(=O)Cc2cccc(NO)c2Br)O1
DelComponent,Modify the molecule COC(=O)C1C(=S)NCC1c1ccc(C(F)(F)F)cc1 by removing a amine.,COC(=O)C1C(=S)CC1c1ccc(C(F)(F)F)cc1
LogP,Please optimize the molecule C=C(C)C1Cc2c(ccc(N)c2C#N)N1 to have a higher LogP value.,C=C(C)C1Cc2cc(N)ccc2N1
MR,Optimize the molecule O=C1C(=Cc2ccc(Cl)cc2)SC(=[NH+]c2ccccc2)N1CCCn1ccnc1 to have a higher MR value.,Nc1ccccc1[NH+]=C1SC(=Cc2ccc(Cl)cc2)C(=O)N1CCCn1ccnc1
QED,Modify the molecule OCC(F)(F)C1(OCc2ccccc2)OC(COCc2ccccc2)CCC1(OCc1ccccc1)OCc1ccccc1 to decrease its QED value.,CC(F)(F)C1(OCc2ccccc2)OC(COCc2ccccc2)CCC1(OCc1ccccc1)OCc1ccccc1
AtomNum,"There is a molecule composed of 18 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl
BondNum,"The molecule is composed of 14 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CSC1(C(N)=S)CCN(C(=O)Cc2cccc(O)c2)CC1
FunctionalGroup,Please generate a molecule consisting and 1 hydroxyl group.,OCCCC1CCC2CCC[NH+]12
AddComponent,Add a aldehyde to the molecule CCOCCCNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O.,CCOCCCNC(=O)c1cc2c(cc1Cl)N1CCCCC(CC=O)C1=NS2(=O)=O
SubComponent,Substitute a hydroxyl in the molecule CCCCCCCCCOC(=O)c1ccc(-c2ccc(C(=O)OCCCCCCCCC)c(O)c2C(=O)OCCCCCCCCC)cc1C(=O)OCCCCCCCCC with a thiol.,CCCCCCCCCOC(=O)c1ccc(-c2ccc(C(=O)OCCCCCCCCC)c(S)c2C(=O)OCCCCCCCCC)cc1C(=O)OCCCCCCCCC
DelComponent,Remove a amine from the molecule NC(c1ccc2c(c1)CCCC2)C(C(F)(F)F)C(F)(F)F.,FC(F)(F)C(Cc1ccc2c(c1)CCCC2)C(F)(F)F
LogP,Please modify the molecule C[NH+]=C(NCCc1c[nH]c2ccccc12)NCc1coc(-c2ccccc2)n1 to decrease its LogP value.,C[NH+]=C(NCCc1c[nH]c2ccccc12)NCc1coc(-c2ccccc2O)n1
MR,Modify the molecule CCCN(CC1CC1)C1CC(C)CCC1[NH3+] to have a higher MR value.,CCCN(CC1CC1)C1CC(C)CC(CC=O)C1[NH3+]
QED,Modify the molecule CC(C)c1ccc(COc2ccc(Cl)cc2C(C)[NH3+])cc1 to decrease its QED value.,CC([NH3+])c1cc(Cl)ccc1OCc1ccc(C(C)CC(=O)O)cc1
AtomNum,"The molecule is composed of 15 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",O=C([O-])COc1ccc(NC(=O)C2CC3CCC2[NH2+]3)cc1
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, 3 rotatable bonds, and 10 aromatic bonds.",Cc1nc2cc(NC(=O)C[NH+]3CCNC(=O)C3(C)C)ccc2n1C
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, and 1 amide group.",Cc1ccc(-c2cc(NC(=O)COC(=O)Cn3ccccc3=O)on2)cc1
AddComponent,Modify the molecule Cc1cc(NCc2cc(F)c(F)c(F)c2)ccc1F by adding a hydroxyl.,OCc1cc(NCc2cc(F)c(F)c(F)c2)ccc1F
SubComponent,Modify the molecule halo by substituting a CCOC(=O)N1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1 with a carboxyl.,CCOC(=O)N1CCC(NC(=O)NCc2ccc(C(=O)[OH])cc2)CC1
DelComponent,Remove a benzene ring from the molecule Cc1nc2ccccc2n1CC(=O)Nc1ccccc1Oc1ccccc1.,Cc1nc2ccccc2n1CC(=O)Nc1ccccc1O
LogP,Modify the molecule Cc1cc(Br)c(NCc2cc(Br)c(Br)o2)cc1Cl to increase its LogP value.,Cc1cc(Br)c(NCc2cc(Br)c(Br)o2)c(-c2ccccc2)c1Cl
MR,Optimize the molecule O=C(C1CCC[NH+](Cc2ccco2)C1)N1CC[NH+](Cc2ccncc2)CC1 to have a lower MR value.,c1coc(C[NH+]2CCC3CC[NH+](Cc4ccncc4)CCC32)c1
QED,Optimize the molecule CC1CCC(C2CCc3c(ccc(F)c3F)C2)CC1 to have a higher QED value.,CC1CCC(C2CCc3c(cc(C(=O)O)c(F)c3F)C2)CC1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccc2c(c1)N(C)C(CC[NH3+])CS2(=O)=O
BondNum,"The molecule contains 12 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CC=C(NNC(=O)COc1c(Br)cc(Br)cc1OC)c1ccccc1
FunctionalGroup,There is a molecule consisting of and 1 amide group.,CCCCCNC(=O)CCOCCC(C)CC
AddComponent,Modify the molecule CC(C)(C)c1nc(-c2cccnc2)sc1C(N)=S by adding a amine.,CC(C)(CN)c1nc(-c2cccnc2)sc1C(N)=S
SubComponent,Modify the molecule CC[NH+]1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 by substituting a nitrile with a thiol.,CC[NH+]1CCN(C(=O)CSc2nc(C)c(C)c(C)c2S)CC1
DelComponent,Remove a CC1CCC(Cn2c(N3CCOCC3c3ccccn3)nc3c2C(c2cccc(Cl)c2)[NH+]=C(c2nc(=O)o[nH]2)N3)CC1 from the molecule amine.,CC1CCC(Cn2c(N3CCOCC3c3ccccn3)nc3c2C(c2cccc(Cl)c2)[NH+]=C3c2nc(=O)o[nH]2)CC1
LogP,Please optimize the molecule CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O to have a higher LogP value.,CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCC
MR,Please modify the molecule Cc1ccccc1NC(=O)C(C)Oc1cc(Cl)cc(Cl)c1 to increase its MR value.,CC(=O)c1cc(Cl)cc(OC(C)C(=O)Nc2ccccc2C)c1
QED,Optimize the molecule Cc1cc(C)c2[nH]ccc2c1C[NH+]1CCC(CC#N)CC1c1ccccc1 to have a higher QED value.,Cc1cc(C)c2[nH]ccc2c1C[NH+]1CCC(CC#N)CC1
AtomNum,"The molecule has 8 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 2 fluorine atoms, and 1 chlorine atom.",COc1ncc(C(F)F)c(C[NH3+])c1Cl
BondNum,"The molecule consists of 11 single bonds, 3 double bonds, and 1 rotatable bond.",O=C1CSC2=C(N1)C(C(=O)[O-])CC2
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,CCC1COC(c2ccc(OCCCCCCCc3cc(C)no3)cc2)=N1
AddComponent,Add a hydroxyl to the molecule CC1(O)CCCN(C(=O)c2cccc([S-])c2)CC1.,CC1(O)CCCN(C(=O)c2cc([S-])ccc2O)CC1
SubComponent,Please substitute a CC[NH2+]C(Cc1ccc(Br)cc1)C1CC1 in the molecule halo with a hydroxyl.,CC[NH2+]C(Cc1ccc(O)cc1)C1CC1
DelComponent,Please remove a halo from the molecule O=C(Nc1ccc(CCO)cc1)c1cnc(Cl)c(Cl)c1.,O=C(Nc1ccc(CCO)cc1)c1cncc(Cl)c1
LogP,Modify the molecule O=C(NCC1CCOC1)c1cn(-c2ccc(Cl)cc2)nn1 to decrease its LogP value.,N#Cc1ccc(-n2cc(C(=O)NCC3CCOC3)nn2)cc1
MR,Modify the molecule Cc1cccc2c1C[NH+](C)CC2c1cc(F)cc(F)c1 to increase its MR value.,Cc1cccc2c1C[NH+](C)CC2c1cc(F)cc(NO)c1
QED,Please modify the molecule CCC1(Cc2ccc(C(F)(F)F)cc2)CCCC[NH2+]1 to decrease its QED value.,CCC1(Cc2ccc(C(O)(F)F)cc2)CCCC[NH2+]1
AtomNum,"Please generate a molecule with 8 carbon atoms, 5 oxygen atoms, and 1 sulfur atom.",CCC(C(=O)[O-])C1(O)CCS(=O)(=O)C1
BondNum,"There is a molecule consisting of 7 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",Fc1[nH+]c(F)c(F)c(NCc2ccno2)c1F
FunctionalGroup,"The molecule has 3 hydroxyl groups, and 1 ester group.",COC(=O)CC(O)C(O)C(O)C(=O)[O-]
AddComponent,Modify the molecule O=C(Oc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1 by adding a hydroxyl.,O=C(Oc1ccc(F)c(O)c1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1
SubComponent,Substitute a halo in the molecule Cc1cc(C(=O)[O-])c(S(=O)(=O)Cl)c(C(=O)[O-])c1C with a nitrile.,Cc1cc(C(=O)[O-])c(S(=O)(=O)C#N)c(C(=O)[O-])c1C
DelComponent,Remove a benzene ring from the molecule COC1C(CC(COC(=O)c2ccccc2)OC(=O)c2ccccc2)OC(CCO)C1CS(=O)(=O)c1ccccc1.,COC1C(CC(COC(=O)c2ccccc2)OC=O)OC(CCO)C1CS(=O)(=O)c1ccccc1
LogP,Please modify the molecule CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C(C)=O)C2OC(C)=O)C(C)(OC)CC(C)C(=O)NC(C)C(O)C1(C)O to increase its LogP value.,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C(C)=O)C2OC(C)=O)C(C)(OC)C(C)C(C)C(O)C1(C)O
MR,Modify the molecule Cn1c(N=Nc2ccc(N3CC[NH+](C)CC3)cc2S(=O)(=O)[O-])nc2ccc(S(N)(=O)=O)cc21 to increase its MR value.,Cn1c(N=Nc2ccc(N3CC[NH+](C)CC3N)cc2S(=O)(=O)[O-])nc2ccc(S(N)(=O)=O)cc21
QED,Please modify the molecule CN1CCc2ccc(OCC(O)C[NH+]3CCC(c4noc5cc(F)ccc45)CC3)cc2C1=O to increase its QED value.,CC1Cc12ccc(OCC(O)C[NH+]1CCC(c3noc4cc(F)ccc34)CC1)c-2
AtomNum,"There is a molecule composed of 20 carbon atoms, and 1 bromine atom.",CC1=C(c2cccc3ccccc23)c2cccc(Br)c2C1
BondNum,"Please generate a molecule composed of 16 single bonds, 1 double bond, 11 rotatable bonds, and 12 aromatic bonds.",CCCOc1ccc(C(C)NC(=O)CCc2ccccc2O)cc1OCCC
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 halo group.",C[NH+](C)CCCNC(=O)Oc1ccc(F)cc1
AddComponent,Modify the molecule CC(C)(C)n1ccc(-c2cccc(Nc3cc(-c4ccccc4)nn4ccnc34)n2)n1 by adding a carboxyl.,CC(C)(C)n1ccc(-c2cccc(Nc3cc(-c4ccccc4C(=O)O)nn4ccnc34)n2)n1
SubComponent,Please substitute a hydroxyl in the molecule CCn1ncnc1CC1(O)CCOC(C)(C)C1 with a aldehyde.,CC(=O)C1(Cc2ncnn2CC)CCOC(C)(C)C1
DelComponent,Please remove a CC[NH2+]Cc1c(F)cccc1N(C)C1CCC1 from the molecule halo.,CC[NH2+]Cc1ccccc1N(C)C1CCC1
LogP,Modify the molecule C[NH2+]CCN1CCN(c2ccc(Br)cc2)C1=O to have a lower LogP value.,C[NH2+]CCN1CCN(c2ccccc2)C1=O
MR,Optimize the molecule Cc1cc(F)ccc1-c1c(Oc2ccc(C=CC(=O)[O-])cc2)c2cc(F)c(O)cc2oc1=O to have a higher MR value.,Cc1cc(F)ccc1-c1c(Oc2ccc(C=CC(=O)[O-])cc2)c2cc(F)c(NO)cc2oc1=O
QED,Optimize the molecule CCc1nc(C2CCCC2)c(COCc2cccc(C)c2)c(-c2ccc(F)cc2)c1CO to have a higher QED value.,CCOCc1c(C2CCCC2)nc(CC)c(CO)c1-c1ccc(F)cc1
AtomNum,"The molecule consists of 18 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",O=Cc1cn(CC(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc12
BondNum,"The molecule has 18 single bonds, 3 double bonds, 6 rotatable bonds, and 5 aromatic bonds.",O=C(NCCNC(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CC1
FunctionalGroup,"The molecule has 2 benzene ring groups, and 1 ester group.",CCOC(=O)C=C(C)c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1
AddComponent,Add a amine to the molecule Cc1nsc(NC2CCC(F)CC2)n1.,Cc1nsc(NC2CCC(F)C(N)C2)n1
SubComponent,Modify the molecule [NH3+]C1CC[NH+](Cc2cc(F)c3cncc(-c4cc5ccccc5o4)c3c2)CC1 by substituting a halo with a aldehyde.,CC(=O)c1cc(C[NH+]2CCC([NH3+])CC2)cc2c(-c3cc4ccccc4o3)cncc12
DelComponent,Remove a benzene ring from the molecule Cc1ccc(Sc2ncnc(Nc3ccc(C(=O)[O-])cc3)c2N)cc1.,Cc1ccc(Sc2ncnc(NC(=O)[O-])c2N)cc1
LogP,Modify the molecule COc1cccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N)cs2)c1 to increase its LogP value.,COc1cccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N)c(S)s2)c1
MR,Please modify the molecule Cc1ccc(CN2CCN(C(=O)NCC[NH+](C)C)CC2=O)cc1C to decrease its MR value.,CC(C)N1CCN(C(=O)NCC[NH+](C)C)CC1=O
QED,Optimize the molecule C[NH2+]C(Cc1sccc1Br)c1ccccc1F to have a lower QED value.,C[NH2+]C(Cc1sccc1S)c1ccccc1F
AtomNum,"There is a molecule with 25 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCC(C)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(C)CC)cc2)cc1
BondNum,"The molecule has 14 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCOc1c(N)cccc1C(=O)N1CCC(C(C)C)C1
FunctionalGroup,"The molecule contains 1 amine group, and 1 sulfide group.",CCCC1(CNc2snc(C)c2C(=O)[O-])CC1
AddComponent,Modify the molecule COc1c(C(F)F)cnc(CCl)c1CO by adding a hydroxyl.,COc1c(C(F)F)cnc(CCl)c1C(O)O
SubComponent,Substitute a halo in the molecule Nc1c(-c2coc3ccccc23)nc2ccc(Cl)cn12 with a carboxyl.,Nc1c(-c2coc3ccccc23)nc2ccc(C(=O)[OH])cn12
DelComponent,Remove a COc1ccc(NC(=O)c2n[nH]c3ccc(C)cc23)cc1NC(C)=O from the molecule benzene ring.,CON(NC(=O)c1n[nH]c2ccc(C)cc12)C(C)=O
LogP,Optimize the molecule CSCC(C)N(C)c1c(CCl)c(C)nn1C to have a lower LogP value.,CSCC(C)N(C)c1c(C)c(C)nn1C
MR,Optimize the molecule C[NH2+]CCc1c(C)nc(-c2ccccc2Cl)nc1C to have a lower MR value.,C[NH2+]CCc1c(C)nc(-c2ccccc2C#N)nc1C
QED,Please optimize the molecule Cc1ccc(C2CN(C(=O)Cc3c(C)[nH]c4ccccc34)CC2[NH3+])o1 to have a lower QED value.,Cc1ccc(C2CC(c3c(C)[nH]c4ccccc34)C2[NH3+])o1
AtomNum,"There is a molecule with 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 4 fluorine atoms.",COc1cccc(NCc2ccncc2)c1C(=O)Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2
BondNum,"There is a molecule with 13 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(S(=O)(=O)NC2(C)CCOCC2)cc1CO
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ester group, and 3 halo groups.",O=C(OCc1cc(=O)c([O-])co1)c1ccc(C(F)(F)F)cc1
AddComponent,Add a hydroxyl to the molecule O=C1[N-]C(=O)C(Cc2c[nH]c3ccccc23)S1.,O=C1[N-]C(=O)C(O)(Cc2c[nH]c3ccccc23)S1
SubComponent,Modify the molecule halo by substituting a CC1(C)CN(C(=O)C2(C(F)(F)F)CCC2)CCS1 with a aldehyde.,CC(=O)C(F)(F)C1(C(=O)N2CCSC(C)(C)C2)CCC1
DelComponent,Modify the molecule Cc1c(Cl)cccc1NC(=O)Cn1ncc(NC(=O)N(C)C)n1 by removing a halo.,Cc1ccccc1NC(=O)Cn1ncc(NC(=O)N(C)C)n1
LogP,Optimize the molecule Cn1nc(CO)c2c1CCN(c1nc(-c3ccncc3)nc3c1cnn3C)C2 to have a lower LogP value.,Cn1ncc2c(N3CCc4c(c(CO)nn4CO)C3)nc(-c3ccncc3)nc21
MR,Please optimize the molecule CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1 to have a higher MR value.,CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)C)cc2)c(O)c1
QED,Modify the molecule CCC(Oc1ccc(C=C2SC(Nc3ccc(Cl)c(C(F)(F)F)c3)=[NH+]C2=O)cc1)C(=O)[O-] to have a lower QED value.,CCC(Oc1ccc(CSCNc2ccc(Cl)c(C(F)(F)F)c2)cc1)C(=O)[O-]
AtomNum,"The molecule contains 30 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 7 fluorine atoms.",CC(OC1COCC(C[NH+]2CCC3(CC2)COCC3O)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 8 rotatable bonds, and 17 aromatic bonds.",COc1ccc(NC(=O)CSc2[nH+]cc(CO)n2Cc2ccccc2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 sulfone group.",CC([NH2+]CC(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1
AddComponent,Add a benzene ring to the molecule CC(C)(C)c1ccc(NC(=O)C2CCCCC[NH2+]2)cc1.,CC(C)(C)c1ccc(NC(=O)C2[NH2+]CCCCC2c2ccccc2)cc1
SubComponent,Modify the molecule halo by substituting a CC([NH3+])CCC1(c2ccc(Cl)s2)COC1 with a hydroxyl.,CC([NH3+])CCC1(c2ccc(O)s2)COC1
DelComponent,Modify the molecule CC1CCc2sc(C(=O)OC(C)C(=O)Nc3ccc(F)cc3F)cc2C1 by removing a halo.,CC1CCc2sc(C(=O)OC(C)C(=O)Nc3ccccc3F)cc2C1
LogP,Modify the molecule Cc1cccc(C(=O)[O-])c1Oc1ncc(F)cc1F to have a lower LogP value.,Cc1cccc(C(=O)[O-])c1Oc1ncccc1F
MR,Please modify the molecule CC(O)CC(CC[NH3+])C(=O)[O-] to increase its MR value.,CC(O)CC(CC([NH3+])O)C(=O)[O-]
QED,Modify the molecule O=[N+]([O-])c1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1 to increase its QED value.,O=[N+]([O-])c1ccc(S(=O)(=O)c2cc(O)cc(F)c2)cc1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCCNC(=O)NC(=O)CNc1ccc(C)c(C)c1
BondNum,"Please generate a molecule with 22 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC1CCCCC1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ketone group, and 2 halo groups.",CC1CCCCC1[NH+](C)CCC(=O)c1cccc(F)c1F
AddComponent,Modify the molecule NC(=O)CCC(NC(=O)NCC1CCC(=O)N1)C(=O)[O-] by adding a benzene ring.,NC(=O)CC(c1ccccc1)C(NC(=O)NCC1CCC(=O)N1)C(=O)[O-]
SubComponent,Please substitute a O=C1CC(C(=O)N2CCCCC2c2cn[nH]c2)CN1c1cc(F)cc(F)c1 in the molecule halo with a nitro.,ONc1cc(F)cc(N2CC(C(=O)N3CCCCC3c3cn[nH]c3)CC2=O)c1
DelComponent,Modify the molecule amide by removing a COc1ccc2nnc(CCC(=O)Nc3cccc4ccccc34)n2n1.,COc1ccc2nnc(Cc3cccc4ccccc34)n2n1
LogP,Please modify the molecule O=C1OC(=Cc2oc(-c3ccccc3)cc2-c2ccccc2)c2ccccc21 to decrease its LogP value.,O=C1OC(=Cc2ccc(-c3ccccc3)o2)c2ccccc21
MR,Optimize the molecule Cc1cccc(CNC(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)c1C to have a higher MR value.,Cc1cccc(CNC(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)NO)cc3)n2)c1C
QED,Modify the molecule Cc1ccc2c(CC(=O)NCCCC[NH+]3CCOCC3)coc2c1C to decrease its QED value.,Cc1ccc2c(C(O)C(=O)NCCCC[NH+]3CCOCC3)coc2c1C
AtomNum,"The molecule contains 13 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 fluorine atoms.",CCC(C)(O)CNC(=O)c1c(F)ccc(C)c1F
BondNum,"Please generate a molecule consisting 3 single bonds, and 10 aromatic bonds.",Nc1cc(Br)c2ccsc2c1Cl
FunctionalGroup,"The molecule has 1 amide group, and 1 amine group.",CCNC(=O)CN(CC)c1cncc(NC)c1
AddComponent,Modify the molecule O=C([O-])c1ccc(C[NH2+]CC2CCCC2)s1 by adding a amine.,NC1CCC(C[NH2+]Cc2ccc(C(=O)[O-])s2)C1
SubComponent,Substitute a halo in the molecule COC(=O)CC(O)CC(O)C=Cc1c(-c2ccc(F)cc2)nc(N(C)S)nc1C(C)C with a carboxyl.,COC(=O)CC(O)CC(O)C=Cc1c(-c2ccc(C(=O)[OH])cc2)nc(N(C)S)nc1C(C)C
DelComponent,Modify the molecule CSC(CO)C(C)NC(=O)NCC(C)C by removing a hydroxyl.,CSC(C)C(C)NC(=O)NCC(C)C
LogP,Please optimize the molecule Cc1cccc(NC(=O)N2CCN(c3cncc4nc(C)nn34)CC2)n1 to have a lower LogP value.,Cc1cccc(NC(=O)N2CCN(c3c(O)ncc4nc(C)nn34)CC2)n1
MR,Please optimize the molecule O=[N+]([O-])c1cc(Br)cnc1NCCc1ncno1 to have a lower MR value.,O=[N+]([O-])c1cccnc1NCCc1ncno1
QED,Optimize the molecule Nc1ccc(CCC(=O)NCCC2=CCCC2)cc1 to have a lower QED value.,Nc1ccc(C(CC(=O)NCCC2=CCCC2)c2ccccc2)cc1
AtomNum,"There is a molecule with 22 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",CCOC(=O)N1CCN(c2nc3ccccc3nc2N2CCCC(C(=O)OC)C2)CC1
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCOc1c(Br)cc(C=NNC(=O)Cc2ccc(O)cc2)cc1OC
FunctionalGroup,The molecule contains and 1 benzene ring group.,CCOC1CCN(C(=O)Nc2cccc(-n3nccc3C)c2)CC1
AddComponent,Add a benzene ring to the molecule COc1ccc(NC(C)=O)cc1N1CCCCC1.,COc1ccc(NC(C)=O)cc1N1CCCCC1c1ccccc1
SubComponent,Please substitute a nitrile in the molecule Cc1cc(NC2CCCC(C)C2C)c(C#N)c(C)[nH+]1 with a nitro.,Cc1cc(NC2CCCC(C)C2C)c(NO)c(C)[nH+]1
DelComponent,Please remove a amine from the molecule COc1ccc(Nc2cc(NN)nc(N)n2)cc1Cl.,COc1ccc(Nc2cc(N)nc(N)n2)cc1Cl
LogP,Please optimize the molecule COC(=O)CNC(=O)C1CCC[NH+]1C1CC[NH2+]CC1 to have a higher LogP value.,COC(=O)C1CCC[NH+]1C1CC[NH2+]CC1
MR,Please modify the molecule Cc1ccc(N)cc1C(=O)N1CCCC(CO)C1 to increase its MR value.,Cc1ccc(N)cc1C(=O)N1CCCC(CI)C1
QED,Modify the molecule CCC(c1cccc(Cl)c1)C1CC[NH2+]C1 to decrease its QED value.,CCC(Cl)C1CC[NH2+]C1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C1CCCOC1
BondNum,"Please generate a molecule with 17 single bonds, 2 double bonds, and 9 rotatable bonds.",CC(C=NO)C(C)(C)NCC[NH2+]C(C)(C)C(C)C=NO
FunctionalGroup,The molecule has and 3 halo groups.,O=C([O-])c1cc2ccccc2cc1OC(F)(F)F
AddComponent,Please add a benzene ring to the molecule CC(C)c1ccc2oc(C(=O)[O-])c(C(C)C)c2c1.,CC(C)c1c(C(=O)[O-])oc2ccc(C(C)Cc3ccccc3)cc12
SubComponent,Please substitute a hydroxyl in the molecule COc1cc(C2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1O with a nitro.,COc1cc(C2C(C(=O)C=Cc3ccccc3)=C(NO)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1O
DelComponent,Please remove a benzene ring from the molecule O=C([O-])c1ccccc1Oc1cccnc1Sc1ccccc1.,O=C([O-])c1ccccc1Oc1cccnc1S
LogP,Please modify the molecule Clc1ccc(Cc2nc(Cl)c(Br)c(Cl)n2)cc1Cl to decrease its LogP value.,Sc1ccc(Cc2nc(Cl)c(Br)c(Cl)n2)cc1Cl
MR,Optimize the molecule Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cc3csc(C(C)C)n3)cc2)cc1 to have a lower MR value.,CC(C)c1nc(CC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cs1
QED,Please modify the molecule Cn1c(=O)n(CC=O)c2ccc(C(F)(F)F)cc21 to decrease its QED value.,Cn1c(=O)n(CC(=O)c2ccccc2)c2ccc(C(F)(F)F)cc21
AtomNum,"The molecule consists of 15 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCc1ccc(C(C)(C)C[NH2+]CCCO)cc1
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CC(CC[NH+](C)C)NC(=O)c1c(N)cccc1Cl
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 3 halo groups.",O=C(NN=Cc1cccc(Cl)c1Cl)c1ccc(Cl)cc1O
AddComponent,Modify the molecule CCC(C)(C(O)Cc1ccc(O)cc1)[NH+]1CCOCC1 by adding a benzene ring.,CCC(C)(C(O)Cc1ccc(O)c(-c2ccccc2)c1)[NH+]1CCOCC1
SubComponent,Substitute a CC(C)C(CNC(=O)N1CCC(C(=O)[O-])C1)c1ccc(Cl)cc1 in the molecule halo with a carboxyl.,CC(C)C(CNC(=O)N1CCC(C(=O)[O-])C1)c1ccc(C(=O)[OH])cc1
DelComponent,Modify the molecule CCCCC(=O)N1CCCCC1c1ccc(N)cc1 by removing a amine.,CCCCC(=O)N1CCCCC1c1ccccc1
LogP,Modify the molecule Cc1cccc(N2CC[NH+](CCC(C)NC(=O)c3cccc(-n4cnnn4)c3)CC2)c1 to decrease its LogP value.,Cc1cccc(N2CC[NH+](CCC(C)NC(=O)n3cnnn3)CC2)c1
MR,Please modify the molecule N=c1c(=NNc2cc(N)ccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2ccc(=NNc3cc(N)ccc3S(=O)(=O)[O-])c(=O)c1=2 to decrease its MR value.,N=c1c(=NNc2cc(N)ccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2ccc(=Nc3cc(N)ccc3S(=O)(=O)[O-])c(=O)c1=2
QED,Modify the molecule C=CC=C1CC(=O)CCC1=CCC to increase its QED value.,C=CC=C1CC(=O)CCC1=CCCc1ccccc1
AtomNum,"Please generate a molecule composed of 27 carbon atoms, and 2 oxygen atoms.",CCC(C)CC(CC(c1ccccc1)c1ccc(OCO)cc1)c1ccccc1
BondNum,"The molecule is composed of 15 single bonds, 12 rotatable bonds, and 6 aromatic bonds.",CCCCCCCCCCC[n+]1cc(CC)cc(CC)c1
FunctionalGroup,"The molecule has 1 hydroxyl group, and 1 amide group.",CN(C(=O)C1CCC(O)(C[NH3+])CC1)c1ccccn1
AddComponent,Please add a carboxyl to the molecule COC(=O)c1ccc(OC)cc1C#Cc1ccccc1.,COC(=O)c1ccc(OC)c(C(=O)O)c1C#Cc1ccccc1
SubComponent,Substitute a Cc1ccc(NC(=O)C[NH+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1 in the molecule halo with a carboxyl.,Cc1ccc(NC(=O)C[NH+](Cc2ccc(C#N)cc2)Cc2cccc(C(=O)[OH])c2)c(C)c1
DelComponent,Remove a benzene ring from the molecule CNC(=O)N(CCO)c1ccccc1N.,CNC(=O)N(N)CCO
LogP,Please modify the molecule C=C(C=CC(=O)OC)CCCC(=O)C=[N+]=[N-] to increase its LogP value.,C=C(C=CC(=O)OC)C(CCC(=O)C=[N+]=[N-])c1ccccc1
MR,Please modify the molecule CCC1CCC(C2CCC(CCC(=O)Oc3ccc(C#N)c(F)c3)CC2)CC1 to decrease its MR value.,CCC1CCC(C2CCC(CCC(=O)Oc3cccc(F)c3)CC2)CC1
QED,Modify the molecule CC(O)C1(C#N)CCC(C(C)(C)C)CC1 to have a lower QED value.,CC(O)C1CCC(C(C)(C)C)CC1
AtomNum,"Please generate a molecule with 18 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",Cc1nc(CSc2nc3scc(-c4ccccc4)c3c(=O)n2N)oc1C
BondNum,"The molecule has 15 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1ccc(NC(=O)c2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 2 amide groups, and 1 sulfone group.",COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)NCCO)CC2)cc1
AddComponent,Add a amine to the molecule CC[NH2+]C1COCC1C(=O)N(C)C1CCCCCC1.,CC[NH2+]C1COCC1(N)C(=O)N(C)C1CCCCCC1
SubComponent,Substitute a halo in the molecule CCOC(=O)c1c(SC)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N with a carboxyl.,CCOC(=O)c1c(SC)nn(-c2c(Cl)cc(C(F)(F)F)cc2C(=O)[OH])c1N
DelComponent,Modify the molecule benzene ring by removing a CCCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCC(C)c1ccc(C)cc1.,CCCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCC(C)C
LogP,Please optimize the molecule CCc1ccccc1OC1CN(C(=O)c2cnc(-c3ccccn3)[nH]c2=O)C1 to have a higher LogP value.,CCc1ccccc1OC1CN(C(=O)c2cnc(-c3cccc(S)n3)[nH]c2=O)C1
MR,Modify the molecule C[NH2+]CC(C)C(=O)NCCOCC(N)=O to increase its MR value.,C[NH2+]CC(C)C(=O)NCCOC(C(N)=O)C(=O)O
QED,Please modify the molecule CCOC(=O)Cc1ccc(C#N)c(Cl)c1OC to increase its QED value.,CCOC(=O)C(O)c1ccc(C#N)c(Cl)c1OC
AtomNum,"The molecule contains 16 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",O=C(NC1CCC(Oc2ncccn2)CC1)c1ccccn1
BondNum,"The molecule is composed of 16 single bonds, 1 double bond, 4 rotatable bonds, and 23 aromatic bonds.",Cc1cc(F)cc(C)c1-n1cc(-c2nc(C3CC(O)C(O)C3)oc2-c2ccc(F)cc2F)ccc1=O
FunctionalGroup,"The molecule is composed of 1 amide group, 1 thioether group, and 1 sulfide group.",CN(C)C(=O)CSc1n[nH]c(-c2cccnc2)n1
AddComponent,Please add a benzene ring to the molecule CC(CC(C)C)=C1CCC[NH2+]C1.,CC(C)CC(Cc1ccccc1)=C1CCC[NH2+]C1
SubComponent,Please substitute a hydroxyl in the molecule CCCCC(C(=O)N(C)C(CCCC)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CSCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC)C(=O)NC(CO)C(N)=O)N(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CC(O)CN1C(=O)C(CO)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)C([NH3+])CC(N)=O with a carboxyl.,CCCCC(C(=O)N(C)C(CCCC)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CSCC(=O)NC(Cc1ccc(C(=O)[OH])cc1)C(=O)NC)C(=O)NC(CO)C(N)=O)N(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CC(O)CN1C(=O)C(CO)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)C([NH3+])CC(N)=O
DelComponent,Modify the molecule halo by removing a COc1ccc(CN2CC(C(C)CS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1.,COc1ccc(CN2CC(C(C)CS(=O)(=O)c3cccc(C(F)F)c3)CC2=O)cc1
LogP,Modify the molecule COc1cc(NC(=O)c2nc(C)n3ccccc23)c(OC)cc1Cl to decrease its LogP value.,CC(=O)c1cc(OC)c(NC(=O)c2nc(C)n3ccccc23)cc1OC
MR,Modify the molecule CCN1CCC(c2ccc(Nc3cc(-c4c(F)cccc4F)[nH]c4c[nH]c(=O)c3-4)nn2)C1=O to have a higher MR value.,CCN1CCC(c2ccc(Nc3cc(-c4c(F)cc(O)cc4F)[nH]c4c[nH]c(=O)c3-4)nn2)C1=O
QED,Please optimize the molecule CCOC(=O)C1=C(C)NC(=Cc2ccc(C)c(-c3ccccc3C(F)(F)F)c2C)C1=O to have a higher QED value.,CCOC(=O)C1=C(CO)NC(=Cc2ccc(C)c(-c3ccccc3C(F)(F)F)c2C)C1=O
AtomNum,"The molecule is composed of 13 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CCC(CCNc1[nH]cnc(=O)c1OC)CCC(=O)[O-]
BondNum,"There is a molecule composed of 13 single bonds, 1 double bond, and 3 rotatable bonds.",CN(C)C(=O)CCC1(C)CCCCC1
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 1 nitrile group, and 1 sulfide group.",N#Cc1ccc([S-])c2scc(CO)c12
AddComponent,Please add a hydroxyl to the molecule CC[NH2+]Cc1ccoc1CN1CCN(C)c2ccccc21.,CC[NH2+]Cc1ccoc1CN1CCN(CO)c2ccccc21
SubComponent,Please substitute a Cc1ccc(C(=O)NC(C)C)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)N3CCCC3)c2)CC1 in the molecule halo with a thiol.,Cc1ccc(C(=O)NC(C)C)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(S)c(C(=O)N3CCCC3)c2)CC1
DelComponent,Modify the molecule amine by removing a O=C1Cc2cnc(Nc3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)nc2-c2ccccc2N1.,O=C1Cc2cnc(-c3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)nc2-c2ccccc2N1
LogP,Please optimize the molecule CCCC(C)(O)CNc1cc(Br)ncn1 to have a higher LogP value.,CCCC(C)(Cl)CNc1cc(Br)ncn1
MR,Modify the molecule CC[NH2+]C(c1ncccc1OC)C1CCCCC1(C)C to have a higher MR value.,CC[NH2+]C(c1nc(O)ccc1OC)C1CCCCC1(C)C
QED,Please modify the molecule COc1ccc(F)cc1SC(=O)OC(Cc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 to increase its QED value.,COc1ccccc1SC(=O)OC(Cc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
AtomNum,"The molecule is composed of 7 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 chlorine atom, and 1 iodine atom.",CC(=O)N1CCCC(Cl)(I)C1
BondNum,"Please generate a molecule with 18 single bonds, 4 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",C=CC(COC(=O)C(C)C)(OC)C(Cn1ccc(N)nc1=O)OC(=O)C(C)C
FunctionalGroup,The molecule consists of and 3 benzene ring groups.,CCCCCCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
AddComponent,Please add a amine to the molecule Cc1ccc(C(=O)C2C(c3cccs3)C(C(=O)N3CC[NH2+]CC3)N(C(=O)Nc3ccccc3)C2c2cccc(C)c2)cc1.,Cc1ccc(C(=O)C2C(c3cccs3)C(C(=O)N3CC[NH2+]CC3)N(C(=O)Nc3ccccc3N)C2c2cccc(C)c2)cc1
SubComponent,Please substitute a Cc1cc(Br)ccc1C(=O)N1CCC[NH+](CCCc2ccccc2)CC1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(C(=O)N2CCC[NH+](CCCc3ccccc3)CC2)c(C)c1
DelComponent,Remove a COc1cccc(CNc2ccc(F)c(C#N)c2)n1 from the molecule halo.,COc1cccc(CNc2cccc(C#N)c2)n1
LogP,Please optimize the molecule Cc1nc(NC(=O)c2ccccc2Cl)sc1-c1csc(NC(=O)CCC(=O)[O-])n1 to have a lower LogP value.,Cc1nc(NC(=O)c2ccccc2C(=O)[OH])sc1-c1csc(NC(=O)CCC(=O)[O-])n1
MR,Modify the molecule CC(C)(C)C(C[NH3+])N1CCC2(CCCCC2)CC1 to increase its MR value.,CC(C)(C)C(C([NH3+])S)N1CCC2(CCCCC2)CC1
QED,Please optimize the molecule CCCCc1ccc(C=C(C#N)C(=O)Nc2nnc(CC)s2)cc1 to have a higher QED value.,CCCCc1ccc(C=CC(=O)Nc2nnc(CC)s2)cc1
AtomNum,"The molecule consists of 12 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCOC(=O)CNc1ccc(CC)cc1
BondNum,"Please generate a molecule with 13 single bonds, 4 double bonds, 3 rotatable bonds, and 10 aromatic bonds.",COC1OC2OC(=Cc3ccco3)C=CC2=C(c2ccco2)C1=O
FunctionalGroup,The molecule contains and 1 benzene ring group.,Cc1c(Oc2ccc(-n3cnnn3)cc2)ncnc1N1C2CC3CC1CC(C2)[NH2+]3
AddComponent,Please add a benzene ring to the molecule CCOC(=O)C1=C(COCc2nnc(CC[NH3+])s2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl.,CCOC(=O)C1=C(COCc2nnc(CC[NH3+])s2)NC(C)=C(C(=O)OC)C1c1cc(-c2ccccc2)cc(Cl)c1Cl
SubComponent,Please substitute a halo in the molecule CC(C[NH+](C)C)NC(=O)Nc1ccc(I)cc1C(=O)[O-] with a nitrile.,CC(C[NH+](C)C)NC(=O)Nc1ccc(C#N)cc1C(=O)[O-]
DelComponent,Modify the molecule benzene ring by removing a Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCOCC3)C2c2ccccc2[N+](=O)[O-])s1.,Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCOCC3)C2[N+](=O)[O-])s1
LogP,Please modify the molecule C[NH2+]C(c1cc(C)c(OC)c(C)c1)c1ccc(Br)cc1Br to decrease its LogP value.,C[NH2+]C(c1cc(C)c(OC)c(C)c1)c1ccccc1Br
MR,Modify the molecule CCN(CC)S(=O)(=O)N1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 to increase its MR value.,CCN(CCC(=O)O)S(=O)(=O)N1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1
QED,Modify the molecule N#CCC(=O)NCCc1cnc[nH]1 to have a lower QED value.,CC(=O)NCCc1cnc[nH]1
AtomNum,"There is a molecule with 24 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC1=C(C(=O)OCc2ccccc2)C(c2cccs2)C2=C(CC(C)(C)CC2=O)N1
BondNum,"There is a molecule composed of 12 single bonds, 4 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 halo groups, and 1 sulfone group.",CCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(N(CC)CC)cc21
AddComponent,Add a hydroxyl to the molecule CCOCCn1cc(C2CC[NH+](CCOc3cc(Cl)ccc3C(=O)[O-])CC2)c2ccncc21.,CCOCCn1cc(C2CC[NH+](CCOc3cc(Cl)ccc3C(=O)[O-])CC2)c2ccnc(O)c21
SubComponent,Substitute a CN(C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(O)C(F)(F)F)c(Cl)c1Cl)C1CCC1 in the molecule halo with a nitro.,CN(C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1ccc(C(C)(O)C(F)(F)NO)c(Cl)c1Cl)C1CCC1
DelComponent,Remove a halo from the molecule Cc1cc(S(=O)(=O)NCC(O)C(N)=O)sc1Br.,Cc1csc(S(=O)(=O)NCC(O)C(N)=O)c1
LogP,Modify the molecule COc1ccccc1CNC(=O)N1C2CC[NH2+]CC1CC2 to have a lower LogP value.,COc1ccccc1CNC(=O)N1C2CC[NH2+]C(O)C1CC2
MR,Please optimize the molecule CCCCCCCCCCCCc1ccccc1C(=O)OCC to have a lower MR value.,CCCCCCCCCCCCC(=O)OCC
QED,Please optimize the molecule Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CC(=O)N(c2cccc(Br)c2)C1 to have a higher QED value.,Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CC(=O)N(c2ccccc2)C1
AtomNum,"The molecule is composed of 15 carbon atoms, 2 nitrogen atoms, 1 fluorine atom, and 2 bromine atoms.",Cn1cc[nH+]c1CCC(CBr)(CBr)c1cccc(F)c1
BondNum,"Please generate a molecule consisting 19 single bonds, 3 rotatable bonds, and 26 aromatic bonds.",CC1(C)CCC(c2cccc(C3CCC(C)(C)CC3)c2-c2c[nH+]c3c4ccccc4c4ccccc4n23)CC1
FunctionalGroup,There is a molecule consisting of and 1 sulfide group.,Cc1ccc(C=NN(C)C(N)=O)s1
AddComponent,Add a aldehyde to the molecule CONC(=S)N=Nc1c(O)n(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccc(Cl)cc12.,CONC(=S)N=Nc1c(O)n(C[NH+]2CCN(c3ccc(Cl)cc3CC=O)CC2)c2ccc(Cl)cc12
SubComponent,Please substitute a O=C([O-])c1cccc2cccc(C(O)c3sccc3Cl)c12 in the molecule halo with a carboxyl.,O=C([OH])c1ccsc1C(O)c1cccc2cccc(C(=O)[O-])c12
DelComponent,Remove a C[NH+]1CC=C(c2c[nH]c3ccc(CC(=O)c4ccc(F)cc4)cc23)CC1 from the molecule halo.,C[NH+]1CC=C(c2c[nH]c3ccc(CC(=O)c4ccccc4)cc23)CC1
LogP,Modify the molecule COc1ccc(-c2[nH]ccc2C(=O)[O-])cc1Br to have a lower LogP value.,COc1ccc(-c2[nH]ccc2C(=O)[O-])cc1NO
MR,Modify the molecule C=C(Cc1ccc2ccccc2c1)C(=O)OCC to have a higher MR value.,C=C(Cc1ccc2ccccc2c1)C(=O)OCCO
QED,Please optimize the molecule C[NH+]1CCOC(c2noc(CC(O)C3CC3)n2)C1 to have a higher QED value.,C[NH+]1CCOC(c2noc(CCC3CC3)n2)C1
AtomNum,"There is a molecule with 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC(C)C(CCO)[NH2+]CC(O)c1cccs1
BondNum,"Please generate a molecule with 5 single bonds, 4 rotatable bonds, and 16 aromatic bonds.",C[NH2+]C(Cc1ccoc1)c1cccc2nccnc12
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ester group, and 1 sulfone group.",COCCCN1CCOc2ccc(COC3CN(S(=O)(=O)c4ccc(C)cc4)C(CC(C)(C)C(=O)OC)CC3c3ccc(COCCOC)cc3)cc21
AddComponent,Add a amine to the molecule [NH3+]CCCOc1ccc(Cl)c(F)c1.,NC([NH3+])CCOc1ccc(Cl)c(F)c1
SubComponent,Substitute a O=C([O-])C1Cn2c(n[nH]c2=O)CN1C(=O)C1CCCC(C(F)(F)F)C1 in the molecule halo with a hydroxyl.,O=C([O-])C1Cn2c(n[nH]c2=O)CN1C(=O)C1CCCC(C(O)(F)F)C1
DelComponent,Remove a halo from the molecule Cc1ccc(C(=O)Nc2ccccc2C)cc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(C(=O)NC3CCCCC3)c(Cl)c2)CC1.,Cc1ccc(C(=O)Nc2ccccc2C)cc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CC1
LogP,Please optimize the molecule COC(=O)c1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 to have a lower LogP value.,COC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
MR,Modify the molecule CC1=C([NH+]=c2ccn(CCF)cc2Cl)OC(c2c[nH]c3ncc(-c4cnn(C)c4)cc23)=NCC1 to increase its MR value.,CC1=C([NH+]=c2ccn(CCNO)cc2Cl)OC(c2c[nH]c3ncc(-c4cnn(C)c4)cc23)=NCC1
QED,Optimize the molecule C[NH+](C)CC1CCN(C(=O)C2CCCCN2C(=O)c2cccs2)CC1 to have a lower QED value.,C[NH+](C)CC1CCN(C(=O)C2CCCCN2C(=O)c2ccc(C(=O)O)s2)CC1
AtomNum,"The molecule has 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCNC(NCCCOCc1ccc(OC)cc1)=[NH+]CC(C)(C)OC
BondNum,"Please generate a molecule with 10 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",CCOc1ccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1OCC
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, and 1 halo group.",CN(C)c1nc(N2CCOc3ccc(CO)cc3C2)ncc1F
AddComponent,Add a hydroxyl to the molecule CC1(C)CCCC1C(=O)Nc1cc(Cl)ccc1C#N.,CC1(C)CCCC1C(=O)Nc1c(C#N)ccc(Cl)c1O
SubComponent,Substitute a hydroxyl in the molecule O=P([O-])([O-])C(O)CCO with a nitro.,ONC(CCO)P(=O)([O-])[O-]
DelComponent,Please remove a halo from the molecule COc1cc(Cl)cc(CBr)c1OCc1cccc(C#N)c1.,COc1cccc(CBr)c1OCc1cccc(C#N)c1
LogP,Modify the molecule Cc1cc(Cl)ccc1[NH+]=C1SC(CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1C to decrease its LogP value.,Cc1cc(Cl)ccc1[NH+]=C1SC(CC(=O)Nc2([O-])cccc-2O)C(=O)N1C
MR,Optimize the molecule O=C([O-])C1(N2CCC[NH2+]CC2)CN2CCC1CC2 to have a higher MR value.,O=C([O-])C1(N2CC[NH2+]CC(O)C2)CN2CCC1CC2
QED,Modify the molecule Cn1cnc(S(C)(=O)=O)cc1=O to increase its QED value.,Cn1cnc(S(=O)(=O)CO)cc1=O
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 8 oxygen atoms, and 1 nitrogen atom.",COC1=C(OC)N(CC(OC)OC)C(=C=O)C(C(=O)[O-])C1=O
BondNum,"Please generate a molecule composed of 7 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CSCCCn1cnc(C[NH3+])c1
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,CCC1(CC)CCCN(C(=O)c2cnn3c(C)cc(C)nc23)CC1
AddComponent,Modify the molecule O=C(C1CC12CCCCC2)N1CCOCC(O)C1 by adding a benzene ring.,O=C(C1CC12CCCCC2)N1CCOCC(O)C1c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule CC#CCC1(C(O)(C(=O)[O-])c2ccc(N(CC)CC)cc2)CCCCC1 with a nitro.,CC#CCC1(C(NO)(C(=O)[O-])c2ccc(N(CC)CC)cc2)CCCCC1
DelComponent,Remove a benzene ring from the molecule CC(c1ccccc1)[NH+]1CCC(NC(=O)NC2CCSCC2)C1.,CC[NH+]1CCC(NC(=O)NC2CCSCC2)C1
LogP,Please optimize the molecule CCOc1cc(C)nc(NCC2(O)CCC(C)CC2)n1 to have a higher LogP value.,CCOc1cc(C)nc(NCC2(S)CCC(C)CC2)n1
MR,Modify the molecule CCOC1CC[NH+](C2CCC2)CC1 to have a higher MR value.,CCOC1CC[NH+](C2CC(O)C2)CC1
QED,Please optimize the molecule CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)c1cc(Br)ccc1N to have a higher QED value.,CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1N
AtomNum,"The molecule contains 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC1CC[NH+](CCOc2ccccc2C#N)CC1C
BondNum,"The molecule consists of 20 single bonds, 2 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",O=C1CSC2(C(=O)N(C[NH+]3CCN(Cc4ccccc4)CC3)c3ccccc32)N1c1ccccc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 ketone group, 1 halo group, and 1 sulfide group.",COc1cccc(C(=O)c2c(Br)sc3c2ccc(=O)n3-c2ccccc2)c1
AddComponent,Modify the molecule CCCCCCC=CCCCCCCOC(CCO)CCCCCCCCCCC by adding a amine.,CCCCCCCCCCCC(CCO)OCCCCCCC=CCCCCCCN
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc(C(=O)C=Cc2ccc(O)c(O)c2)cc1 with a aldehyde.,CC(=O)c1ccc(C=CC(=O)c2ccc(OC)cc2)cc1O
DelComponent,Remove a CC(C)CC[NH+]1CC(CBr)C1 from the molecule halo.,CC(C)CC[NH+]1CC(C)C1
LogP,Modify the molecule CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(F)(F)C(NC(=O)OC(C)(C)C)c4ccc[nH]4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C to decrease its LogP value.,CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(F)(F)C(NC(=O)OC(C)(C)C)c4ccc[nH]4)CC(O)(C(OC=O)C21)C3(C)C
MR,Please modify the molecule CC(C)(C)C(=O)OCOC(=O)CCc1ccc(C2=C([NH+]3CCOCC3)CN(c3ccc(C(N)=[NH2+])cc3)C2=O)cc1 to decrease its MR value.,CC(C)(C)C(=O)OCOC(=O)CCc1ccc(CC(c2ccc(C(N)=[NH2+])cc2)[NH+]2CCOCC2)cc1
QED,Optimize the molecule Nc1cc(C(=O)Nc2ccnc(Cl)n2)[nH]n1 to have a lower QED value.,Nc1cc(C(=O)Nc2ccnc(NO)n2)[nH]n1
AtomNum,"There is a molecule with 10 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CCCC(=O)C(SSCC([NH3+])C(=O)[O-])C([NH3+])C(=O)[O-]
BondNum,"The molecule contains 12 single bonds, 3 double bonds, 7 rotatable bonds, and 27 aromatic bonds.",Cc1c(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c(=O)n(-c2ccccc2)n1C
FunctionalGroup,The molecule has and 1 amide group.,O=C(c1noc2c1CCCC2)N1CC[NH+](C2CCc3ccccc3C2)CC1
AddComponent,Please add a hydroxyl to the molecule NNC(=O)CCn1ccc2cc(F)ccc21.,NNC(=O)CCn1c(O)cc2cc(F)ccc21
SubComponent,Please substitute a halo in the molecule COc1cc(NC(=O)COC(=O)c2csc(-c3ncccn3)n2)c(OC)cc1Cl with a nitrile.,COc1cc(NC(=O)COC(=O)c2csc(-c3ncccn3)n2)c(OC)cc1C#N
DelComponent,Please remove a amine from the molecule COCC(C)N=C(N[NH3+])Nc1cccc2ccccc12.,COCC(C)N=C(N[NH3+])c1cccc2ccccc12
LogP,Please optimize the molecule CC(C[NH3+])(C[NH+]1CCC(N2CCCC2)C1)c1ccccc1 to have a lower LogP value.,CC(C[NH3+])C[NH+]1CCC(N2CCCC2)C1
MR,Modify the molecule Fc1cc(NCc2cncs2)ccc1N1CCCC1 to have a higher MR value.,Nc1ncc(CNc2ccc(N3CCCC3)c(F)c2)s1
QED,Modify the molecule CCC1CC(CCCC2CC(CC(O)CCCC3CC(CCCC(O)CC4CC(C)OC(c5cc([N+](=O)[O-])ccc5[O-])O4)OC(c4cc([N+](=O)[O-])ccc4[O-])O3)OC(CNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)O2)OC(c2cc([N+](=O)[O-])ccc2[O-])O1 to have a lower QED value.,CCC1CC(CCCC2CC(CC(O)CCCC3CC(CCCC(O)CC4(O)CC(C)OC(c5cc([N+](=O)[O-])ccc5[O-])O4)OC(c4cc([N+](=O)[O-])ccc4[O-])O3)OC(CNC(=O)CCC(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)O2)OC(c2cc([N+](=O)[O-])ccc2[O-])O1
AtomNum,"The molecule has 18 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",C[NH+]=C(NCCCCC[NH+]1CCCCC1)NCc1sccc1C
BondNum,"Please generate a molecule composed of 13 single bonds, 2 double bonds, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",CCC1(CC)CCN(S(=O)(=O)Cc2ccccc2C#N)C1
FunctionalGroup,There is a molecule with and 1 sulfide group.,C[NH2+]CC(C)(C)c1nc(CC(C)C)cs1
AddComponent,Please add a benzene ring to the molecule C[NH2+]C(c1ccc(F)cc1C)c1cccc(OC)c1OC.,C[NH2+]C(c1ccc(F)cc1Cc1ccccc1)c1cccc(OC)c1OC
SubComponent,Substitute a Cc1ccc(C(=O)NCC(C)C)cc1NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)CC1 in the molecule halo with a nitrile.,Cc1ccc(C(=O)NCC(C)C)cc1NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2C#N)CC1
DelComponent,Modify the molecule amine by removing a C[NH+]1CCOC(C(=O)c2c[nH+]ccc2N)C1.,C[NH+]1CCOC(C(=O)c2ccc[nH+]c2)C1
LogP,Please optimize the molecule O=C(NCC1CCN(c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 to have a higher LogP value.,c1ccc(N2CCC(C3CC4CC5CC(C4)C3C5)CC2)nc1
MR,Please modify the molecule CN(CCc1ccccc1)c1nnc(CCCl)o1 to decrease its MR value.,CN(CCc1ccccc1)c1nnc(CCC#N)o1
QED,Please optimize the molecule C#CC[NH+]1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 to have a higher QED value.,C#CC[NH+]1CCC(CC[NH+]2CCOCC2)C1
AtomNum,"The molecule consists of 13 carbon atoms, and 2 nitrogen atoms.",C[NH+](CCCNc1ccccc1)C1CC1
BondNum,"There is a molecule with 12 single bonds, 4 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)C(=O)N3)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amine groups, and 2 halo groups.",COCCCC(NN)c1cccc(Cl)c1F
AddComponent,Modify the molecule C[NH+](C)CC1C=CC(Cl)C(C(O)NC(=O)NC2[NH2+]C3CCC(S(C)=O)CC3S2)C1 by adding a amine.,C[NH+](C)CC1CC(C(O)NC(=O)NC2[NH2+]C3CCC(S(C)=O)CC3S2)C(Cl)C=C1N
SubComponent,Substitute a Nc1nc(-c2cccc(Cl)c2Cl)nc(C2CC2)c1Br in the molecule halo with a hydroxyl.,Nc1nc(-c2cccc(O)c2Cl)nc(C2CC2)c1Br
DelComponent,Modify the molecule benzene ring by removing a CCNC(NCCc1cccc(C(=O)N(C)C)c1)=[NH+]CCCC[NH+]1CCOCC1.,CCNC(NCCC(=O)N(C)C)=[NH+]CCCC[NH+]1CCOCC1
LogP,Optimize the molecule COc1ccc(-c2ccc(NC(=O)COc3ccc(-n4ccnc4)cc3)cc2)cc1 to have a lower LogP value.,COc1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1
MR,Modify the molecule CC1NCCCC1(O)C(F)(F)F to have a higher MR value.,CC(=O)C1(C(F)(F)F)CCCNC1C
QED,Optimize the molecule O=C([O-])C1CC(CO)(c2cccc(Oc3ccccc3)c2)C1 to have a lower QED value.,O=C([O-])C1CC(CF)(c2cccc(Oc3ccccc3)c2)C1
AtomNum,"The molecule is composed of 19 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",O=C1CCC(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)=NN1
BondNum,"Please generate a molecule with 10 single bonds, 2 double bonds, and 3 rotatable bonds.",CS(=O)(=O)CC(O)C1CCCC1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, 2 amide groups, 1 thioether group, and 2 sulfide groups.",O=C(Nc1ccc(SCc2cc3ccc(O)cc3oc2=O)cc1)C(=Cc1ccsc1)NC(=O)c1ccccc1
AddComponent,Please add a benzene ring to the molecule CC1CCCN(SCC(=O)C23CC4CC5CC(C2)C5(C4)C3)C1.,CC1CN(SCC(=O)C23CC4CC5CC(C2)C5(C4)C3)CCC1c1ccccc1
SubComponent,Please substitute a Cc1nccn1-c1ccc(CO)cc1Br in the molecule halo with a nitro.,Cc1nccn1-c1ccc(CO)cc1NO
DelComponent,Modify the molecule CCOCCOCc1ccc(F)c(C#N)c1 by removing a halo.,CCOCCOCc1cccc(C#N)c1
LogP,Modify the molecule CC1(C)C[NH+](Cc2ccccc2)C(CC(=O)[O-])C(=O)O1 to decrease its LogP value.,C[NH+]1CC(C)(C)OC(=O)C1CC(=O)[O-]
MR,Please modify the molecule N#Cc1ccc(COC(=O)c2ccc(SCc3cscn3)cc2)cc1 to increase its MR value.,ONc1ccc(COC(=O)c2ccc(SCc3cscn3)cc2)cc1
QED,Optimize the molecule O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc(NCCO)n1 to have a higher QED value.,OCCNc1ccc-n1-c1ccc2nc(N3CCOCC3)sc2c1
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CCn1nc(C(=O)NNC(=O)CCC(=O)c2cc(C)ccc2C)c2ccccc2c1=O
BondNum,"The molecule is composed of 17 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1cccc(CN2CCCC([NH2+]C3CCCCC3)C2)c1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 1 amide group.",Cc1ccc(OCCn2c(CNC(=O)CCc3ccccc3)nc3ccccc32)c(C)c1
AddComponent,Add a hydroxyl to the molecule CC(C)C1CCC2(C)C(C1)C1(C(C)C)C=CC2(C)CC1.,CC(C)C1(O)CCC2(C)C(C1)C1(C(C)C)C=CC2(C)CC1
SubComponent,Please substitute a CCCN(CCO)c1nc(Cl)ccc1[N+](=O)[O-] in the molecule halo with a aldehyde.,CC(=O)c1ccc([N+](=O)[O-])c(N(CCC)CCO)n1
DelComponent,Remove a hydroxyl from the molecule N#CCc1c(I)cnc(OC(F)(F)F)c1O.,N#CCc1cc(OC(F)(F)F)ncc1I
LogP,Modify the molecule CCc1ccc(Cc2cc(C(=O)OC)ccc2OC2SC(CO)C(O)C(O)C2O)cc1 to have a higher LogP value.,CCc1ccc(Cc2cc(C(=O)OC)ccc2OC2SC(C)C(O)C(O)C2O)cc1
MR,Modify the molecule CCOc1cc2c(cc1NC(=O)c1cncc(Br)c1)OC(C)C2 to have a lower MR value.,CCOc1cc2c(cc1NC(=O)c1cncc(NO)c1)OC(C)C2
QED,Please modify the molecule Cc1ccc(NS(=O)(=O)c2ccc(CO)s2)cc1 to decrease its QED value.,Cc1ccc(NS(=O)(=O)c2cc(-c3ccccc3)c(CO)s2)cc1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 5 oxygen atoms, and 2 sulfur atoms.",CC(CC=O)c1ccc(S(C)(=O)=O)c(S(C)(=O)=O)c1
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",COc1ccc(N2CCC([NH2+]C(C)C)C2=O)cc1F
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 1 halo group.",CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccc(C)cc2C)cn3C2CC2)CC1
AddComponent,Add a amine to the molecule FC(F)(F)Oc1ccccc1-n1cc(-c2ccccn2)cn1.,Nc1nn(-c2ccccc2OC(F)(F)F)cc1-c1ccccn1
SubComponent,Please substitute a hydroxyl in the molecule Cc1nc(-c2ccc(N(C)C)cc2)c2c(n1)[nH]c1cc(-c3c(C)noc3C)c(O)cc12 with a nitrile.,Cc1nc(-c2ccc(N(C)C)cc2)c2c(n1)[nH]c1cc(-c3c(C)noc3C)c(C#N)cc12
DelComponent,Modify the molecule CC(O)C[NH2+]CCNCc1ccc(Br)cc1 by removing a halo.,CC(O)C[NH2+]CCNCc1ccccc1
LogP,Optimize the molecule Cn1ncc(Br)c1C([NH3+])CCC(F)(F)F to have a lower LogP value.,Cn1ncc(Br)c1C([NH3+])CCC(F)F
MR,Modify the molecule CC(CC(=O)N(C1CC1)C(C)c1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 to increase its MR value.,CC(CC(=O)N(C1CC1)C(C)c1cccc(C(F)(F)C(=O)[OH])c1)C1CC[NH2+]CC1
QED,Modify the molecule Cc1ccc(-c2ccc3c(C4CN(C(=O)c5ccccn5)CC[NH+]4C)nnn3c2)cc1 to have a higher QED value.,Cc1ccc2c(C3CN(C(=O)c4ccccn4)CC[NH+]3C)nnn2c1
AtomNum,"There is a molecule with 16 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",C[NH+]=C(NCc1cccs1)NCC(CO)c1ccccc1
BondNum,"The molecule is composed of 11 single bonds, 4 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",Cc1ccc(C)n1-c1cc(C(=O)NN=Cc2ccc(C(=O)[O-])s2)ccc1C(=O)[O-]
FunctionalGroup,There is a molecule composed of and 1 halo group.,Cc1ccoc1C([NH3+])c1cc2cc(F)ccc2o1
AddComponent,Add a thiol to the molecule CC1CCC(C)[NH+](CCC(=O)Nc2cccc(C#N)c2)C1.,CC1CCC(CS)C[NH+]1CCC(=O)Nc1cccc(C#N)c1
SubComponent,Modify the molecule CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(OCCOC)cc(C(=O)NCC(C)C)c3)cc12 by substituting a halo with a hydroxyl.,CNC(=O)c1c(-c2ccc(O)cc2)oc2ccc(-c3cc(OCCOC)cc(C(=O)NCC(C)C)c3)cc12
DelComponent,Modify the molecule amine by removing a CCCNc1nc(SC(C)CC)c2ccsc2n1.,CCCc1nc(SC(C)CC)c2ccsc2n1
LogP,Optimize the molecule CC(C)Oc1ccc(C2CC(C)(C)C[NH2+]2)cc1F to have a higher LogP value.,CC(=O)c1cc(C2CC(C)(C)C[NH2+]2)ccc1OC(C)C
MR,Modify the molecule c1cc(-c2cccc(-n3c4ccccc4c4ccccc4c4ccccc4c4ccccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1 to have a lower MR value.,c1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc3c3ccccc3c3ccccc32)c1
QED,Modify the molecule CC(=O)c1ccc(NC2CC(c3cnc4c(n3)C(C)(C)C(=O)N4)C2)nc1 to decrease its QED value.,CC(=O)c1ccc(NC2CC(c3cnc4c(n3)C(C)(C)C(=O)N4)C2O)nc1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 6 nitrogen atoms, and 3 chlorine atoms.",Nc1cc(Cl)ccc1C=NNC(=NCl)NN=Cc1ccc(Cl)cc1
BondNum,"The molecule consists of 19 single bonds, 5 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 ester group, 1 amide group, and 1 halo group.",COc1ccc(NC(=O)C(OC(=O)C2=COCCO2)c2ccccc2)cc1Cl
AddComponent,Modify the molecule CCOc1ccc(-c2ccc(CCC3CCC(C=CCl)CC3)cc2)cc1 by adding a hydroxyl.,CC(O)Oc1ccc(-c2ccc(CCC3CCC(C=CCl)CC3)cc2)cc1
SubComponent,Please substitute a hydroxyl in the molecule CC(=O)c1ccc(-c2ccc([O-])c3c2CC2CC4C([NH+](C)C)C(O)C(C(N)=O)C(=O)C4(O)C(=O)C2C3=O)cc1 with a aldehyde.,CC(=O)C1C(C(N)=O)C(=O)C2(O)C(=O)C3C(=O)c4c([O-])ccc(-c5ccc(C(C)=O)cc5)c4CC3CC2C1[NH+](C)C
DelComponent,Please remove a CCC(C)CNS(=O)(=O)c1ccsc1C[NH2+]C(C)C from the molecule amine.,CCC(C)CS(=O)(=O)c1ccsc1C[NH2+]C(C)C
LogP,Modify the molecule Cc1ccc2ncc(C#N)c(OCCO)c2c1 to have a higher LogP value.,CCOc1c(C#N)cnc2ccc(C)cc12
MR,Modify the molecule Nc1nc(C(=O)NCCO)cs1 to decrease its MR value.,Nc1nc(C(=O)NCCF)cs1
QED,Optimize the molecule Cn1c(C(=N)C2([NH+]3CCCC3)CCC(c3ccccc3)([NH+](C)C)CC2)cc2ccccc21 to have a higher QED value.,Cn1c(C(=N)C2([NH+]3CCCC3)CCC([NH+](C)C)CC2)cc2ccccc21
AtomNum,"The molecule contains 15 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Cc1cc(-c2ccc(C#N)cc2)ccc1CN=O
BondNum,"There is a molecule consisting of 5 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",Cc1cc(C(=O)c2csc(N)c2)nn1C
FunctionalGroup,"The molecule contains 2 halo groups, and 2 sulfide groups.",[NH3+]C(c1sccc1Cl)c1sccc1Cl
AddComponent,Add a hydroxyl to the molecule COCCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1F.,COCCN(C)S(=O)(=O)c1c(F)ccc(C(=O)[O-])c1O
SubComponent,Substitute a O=C(Nc1cccc(Oc2cc(-c3[nH]c4cc(O)c(O)c([O-])c4c(=O)c3C(=O)Nc3cc(O)c(O)c(O)c3)cc(O)c2O)c1)c1c[nH]c2ccccc2c1=O in the molecule hydroxyl with a thiol.,O=C(Nc1cccc(Oc2cc(-c3[nH]c4cc(S)c(O)c([O-])c4c(=O)c3C(=O)Nc3cc(O)c(O)c(O)c3)cc(O)c2O)c1)c1c[nH]c2ccccc2c1=O
DelComponent,Remove a Cc1c(C(=O)Oc2ccc3c(c2)OC([NH3+])=C(C#N)C3c2ccc(OCc3ccccc3Cl)cc2)oc2ccc(F)cc12 from the molecule benzene ring.,Cc1c(C(=O)Oc2ccc3c(c2)OC([NH3+])=C(C#N)C3c2ccc(OCCl)cc2)oc2ccc(F)cc12
LogP,Please optimize the molecule Cc1csc(NC(=O)CN2C(=O)C3CCCCC3C2=O)n1 to have a higher LogP value.,Cc1csc(NC(=O)CC2CCCCC2=O)n1
MR,Modify the molecule COc1ccccc1OCC(N)=[NH+]NC(=O)c1ccccc1 to decrease its MR value.,COc1ccccc1OCC(N)=[NH+]NC=O
QED,Please modify the molecule CC([NH3+])C(C)C(=O)N1CCS(=O)CC1 to decrease its QED value.,CC1([NH3+])CCCS(=O)CC1
AtomNum,"The molecule is composed of 16 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",Cc1nc2cc(OCC(CN3CC[NH2+]CC3)NS(C)(=O)=O)ccc2s1
BondNum,"The molecule has 9 single bonds, 1 triple bond, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)C(O)CNc1ccc(C#N)cc1Cl
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 ester group, and 1 amide group.",COCc1cccc(C(=O)NC(C(=O)OC)c2ccccc2)c1
AddComponent,Modify the molecule CCN(C(=O)[O-])c1cc(NC(=O)Nc2cc(N)ccc2C)ccc1C by adding a hydroxyl.,CCN(C(=O)[O-])c1c(C)ccc(NC(=O)Nc2cc(N)ccc2C)c1O
SubComponent,Modify the molecule Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 by substituting a halo with a carboxyl.,Nc1c(C(=O)Nc2ccc(C(=O)[OH])c(Cl)c2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1
DelComponent,Please remove a CC1C(=O)CCN(c2ccc(Br)cc2)C1C from the molecule halo.,CC1C(=O)CCN(c2ccccc2)C1C
LogP,Please optimize the molecule [NH3+]C(CC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)[O-] to have a higher LogP value.,[NH3+]C(CC(=O)[O-])C(=O)NC(CC(=O)[O-])(Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)[O-]
MR,Please modify the molecule CCC(=O)N1CCc2ccc(OC(CC)C(=O)NCc3ccccc3)cc2C1c1cccc(F)c1 to increase its MR value.,CCC(=O)N1CCc2ccc(OC(CC)C(=O)NCc3ccccc3)cc2C1c1cccc(C#N)c1
QED,Modify the molecule CCOC(C1CCCCC1)C([NH2+]C)c1ccccc1Cl to have a lower QED value.,CCOC(N)(C1CCCCC1)C([NH2+]C)c1ccccc1Cl
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCCCOc1ccc(NC(=O)C(C)(CCCC)OC)c(C#N)c1
BondNum,"The molecule contains 8 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(F)cc1C(CF)Oc1cccnc1N
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 2 halo groups, and 1 sulfone group.",CC(C(=O)NCC[NH+]1CCOCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
AddComponent,Modify the molecule CC[NH+](Cc1cnc(C)s1)C1CCCC1C[NH3+] by adding a benzene ring.,CC[NH+](Cc1cnc(C)s1)C1(c2ccccc2)CCCC1C[NH3+]
SubComponent,Please substitute a halo in the molecule CC[NH+](CC)C(CNC(=O)c1c(C)nn(-c2ccccc2)c1Cl)c1ccccc1 with a nitro.,CC[NH+](CC)C(CNC(=O)c1c(C)nn(-c2ccccc2)c1NO)c1ccccc1
DelComponent,Remove a benzene ring from the molecule CCNc1cccc(C(=O)NCC(C)(C)OC)c1[N+](=O)[O-].,CCN(C(=O)NCC(C)(C)OC)[N+](=O)[O-]
LogP,Please optimize the molecule OC(CC1OC(C(F)(F)F)(C(F)(F)F)C2C3=CC3CC12)(C(F)(F)F)C(F)(F)F to have a lower LogP value.,CC(=O)C(F)(F)C1(C(F)(F)F)OC(CC(O)(C(F)(F)F)C(F)(F)F)C2CC3C=C3C21
MR,Modify the molecule CCOC(=O)c1c(CC#N)cccc1C(=O)CC to have a higher MR value.,CCOC(=O)c1c(CC(=O)[OH])cccc1C(=O)CC
QED,Modify the molecule CCCCNC(NCCc1cccc(C(=O)NC)c1)=[NH+]CC(=O)N(C)C to have a higher QED value.,CCCCNC(CC(=O)N(C)C)NCCc1cccc(C(=O)NC)c1
AtomNum,"The molecule is composed of 21 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",Cc1ccsc1C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C
BondNum,"The molecule has 23 single bonds, 21 rotatable bonds, and 6 aromatic bonds.",CCCCCCCCCCCCCCCCCCCc1ccc[n+](CCCC)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 4 amine groups.",Nc1cc(N)c(N)c(C(=O)[O-])c1N
AddComponent,Modify the molecule CCC1CCCC(Oc2ncc(Cl)cc2N)C1 by adding a hydroxyl.,CCC1CC(O)CC(Oc2ncc(Cl)cc2N)C1
SubComponent,Substitute a hydroxyl in the molecule CCN(CC)S(=O)(=O)Oc1ccc2c(c1)CC=C1C2CCC2(C)C(O)CCC12 with a nitro.,CCN(CC)S(=O)(=O)Oc1ccc2c(c1)CC=C1C2CCC2(C)C(NO)CCC12
DelComponent,Please remove a nitrile from the molecule N#CC(CN=[N+]=[N-])C(=O)c1ccc(O)cn1.,[N-]=[N+]=NCCC(=O)c1ccc(O)cn1
LogP,Modify the molecule CC1CCC(C)N(S(=O)(=O)c2ccc(CC#N)cc2)C1 to have a higher LogP value.,Cc1ccc(S(=O)(=O)N2CC(C)CCC2C)cc1
MR,Modify the molecule COCC(C)[NH+](C)Cc1ccc(C=CC(=O)[O-])cc1 to have a lower MR value.,COCC(C)[NH+](C)CC=CC(=O)[O-]
QED,Modify the molecule COCCc1noc(-c2ccc(N3CCC([NH3+])C3)nc2)n1 to decrease its QED value.,COCCc1noc(-c2cnc(N3CCC([NH3+])C3)cc2O)n1
AtomNum,"Please generate a molecule with 20 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccc1F
BondNum,"Please generate a molecule consisting 9 single bonds, 3 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",CCCn1c(=O)c(C(=O)NCc2ccccc2)nn(-c2ccc(C)cc2)c1=O
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 thioether group, and 1 sulfide group.",COc1ccc(Oc2ccc(Cc3cnc(SC)[nH]c3=O)cc2)cc1
AddComponent,Add a carboxyl to the molecule C[NH+](CCCc1c(Cl)cccc1Cl)CCC(=O)[O-].,C[NH+](CCC(=O)[O-])C(CCc1c(Cl)cccc1Cl)C(=O)O
SubComponent,Please substitute a CC(C)N(CCCO)C(=O)c1ccnc(N)c1F in the molecule halo with a nitrile.,CC(C)N(CCCO)C(=O)c1ccnc(N)c1C#N
DelComponent,Modify the molecule hydroxyl by removing a CC12CCC(c3ccc(O)cc3O)CC1CCC2O.,CC12CCC(c3ccc(O)cc3)CC1CCC2O
LogP,Optimize the molecule COc1ccc(C(=O)Nc2ccc(SC(C(=O)Nc3cc(Cl)ccc3Cl)c3ccccc3)cc2)cc1OC to have a lower LogP value.,COc1ccc(C(=O)Nc2ccc(SC(C(=O)Nc3cccc(Cl)c3)c3ccccc3)cc2)cc1OC
MR,Modify the molecule C[NH2+]C(CC1CCCO1)c1cc(F)cc(Br)c1 to have a higher MR value.,C[NH2+]C(CC1CCCO1)c1cc(O)cc(Br)c1
QED,Optimize the molecule CCC(C)(C[NH3+])c1nc(CC2CCOC2)no1 to have a lower QED value.,CC(C(=O)O)C(C)(C[NH3+])c1nc(CC2CCOC2)no1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 3 nitrogen atoms, and 1 bromine atom.",N#Cc1cc(N)ccc1Nc1ccc2cc(Br)ccc2c1
BondNum,"Please generate a molecule composed of 5 single bonds, 5 rotatable bonds, and 49 aromatic bonds.",c1ccc2cc(-c3ccc4c(-c5ccc(-c6cscn6)cc5)c5ccccc5c(-c5ccc(-c6cscn6)cc5)c4c3)ccc2c1
FunctionalGroup,The molecule consists of and 1 benzene ring group.,[NH3+]C1CCC(n2cc(-c3ccccc3)cn2)CC1
AddComponent,Modify the molecule CCCCNc1ccnc(NCc2ccc(C)cc2)n1 by adding a hydroxyl.,CCCCNc1cc(O)nc(NCc2ccc(C)cc2)n1
SubComponent,Please substitute a halo in the molecule O=C(c1cc2cc(Br)ccc2o1)c1nn(-c2ccccc2)c2nc3sc4c(c3c(=O)n12)CCCC4 with a nitro.,ONc1ccc2oc(C(=O)c3nn(-c4ccccc4)c4nc5sc6c(c5c(=O)n34)CCCC6)cc2c1
DelComponent,Please remove a benzene ring from the molecule CCc1ccccc1C(=CO)C(=O)[O-].,CCC(=CO)C(=O)[O-]
LogP,Please modify the molecule CC(=NNc1ccc(C(F)(F)F)cc1)C(=N)CSc1ccc(OC2(C(=O)[O-])CCC2)c(C)c1 to decrease its LogP value.,CC(=NNc1ccc(C(F)(F)F)cc1)C(=N)CSc1cc(C)c(OC2(C(=O)[O-])CCC2)c(O)c1
MR,Modify the molecule Cc1cc2c(cc(NC(N)=O)c3nnc(C)n32)n1Cc1ccc(F)cc1F to increase its MR value.,Cc1cc2c(c(-c3ccccc3)c(NC(N)=O)c3nnc(C)n32)n1Cc1ccc(F)cc1F
QED,Modify the molecule CC1(C)Cc2c(CO[Si](C)(C)C(C)(C)C)sc(S(C)(=O)=O)c2C(O)C1 to have a lower QED value.,CC(=O)C1CC(C)(C)Cc2c(CO[Si](C)(C)C(C)(C)C)sc(S(C)(=O)=O)c21
AtomNum,"There is a molecule with 17 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",CC[NH2+]CCC(C)(C)CCc1cc(OC)c(OC)cc1F
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(NC1CC[NH2+]CC1C(=O)Cc1ccccc1F)c1ccc(I)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 amide groups, and 1 halo group.",CC(C[NH3+])NC(=O)C1CC(=O)N(c2ccccc2Br)C1
AddComponent,Modify the molecule CC(c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CC(=O)NC2CCCCC21 by adding a carboxyl.,CC(c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CC(=O)NC2C(C(=O)O)CCCC21
SubComponent,Modify the molecule COC(=O)C(C)N[P+]([O-])(NC(C)C(=O)OC)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O by substituting a hydroxyl with a aldehyde.,CC(=O)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[P+]([O-])(NC(C)C(=O)OC)NC(C)C(=O)OC
DelComponent,Remove a benzene ring from the molecule CC[NH+]1CCC(C[NH2+]Cc2n[nH]nc2-c2ccccc2)C1.,CC[NH+]1CCC(C[NH2+]Cc2cn[nH]n2)C1
LogP,Please optimize the molecule [NH3+]C(CO)(Sc1ccccc1)P(=O)([O-])[O-] to have a lower LogP value.,[NH3+]C(Sc1ccccc1)(C(O)CC=O)P(=O)([O-])[O-]
MR,Modify the molecule Cc1cc(=O)n2c3c1ccc(=O)n3C(C[NH+]1CCC([NH3+])CC1)C2 to increase its MR value.,Cc1cc(=O)n2c3c1ccc(=O)n3C(C[NH+]1CCC([NH3+])C(O)C1)C2
QED,Please optimize the molecule O=C(NCc1ccncc1)c1cncc(F)c1 to have a lower QED value.,O=C(NCc1ccncc1)c1cccnc1
AtomNum,"Please generate a molecule with 11 carbon atoms, 5 oxygen atoms, and 1 chlorine atom.",CCOc1cc(CO)cc(Cl)c1OCC(=O)[O-]
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, and 6 rotatable bonds.",CCCCC=C(OC)O[Si](C)(C)C
FunctionalGroup,"The molecule consists of 1 aldehyde group, and 2 sulfide groups.",O=Cc1ccc(C=Cc2ccc(C3OCCO3)s2)s1
AddComponent,Add a hydroxyl to the molecule Cc1ncc(-c2ccc3cnc(NC(=O)C[NH+]4CCN(C)CC4)cc3c2)s1.,Cc1ncc(-c2ccc3cnc(NC(=O)C[NH+]4CCN(C)CC4O)cc3c2)s1
SubComponent,Please substitute a halo in the molecule C[NH2+]C(C)CC(C)(C)Cc1cc(Br)cs1 with a nitrile.,C[NH2+]C(C)CC(C)(C)Cc1cc(C#N)cs1
DelComponent,Please remove a benzene ring from the molecule CC(c1ccccc1)N(C)C(=O)COC(=O)c1nc(Cl)ccc1Cl.,CCN(C)C(=O)COC(=O)c1nc(Cl)ccc1Cl
LogP,Modify the molecule CC1=C(CC(O)CC(C)C)CCC1(C)C to have a lower LogP value.,CC1=C(CC(O)CC(C)C)CCC1(C)CN
MR,Please optimize the molecule O=C(N1CCC(F)CC1)C1(c2ccc(Cl)cc2)CCOCC1 to have a higher MR value.,O=C([OH])C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1
QED,Please optimize the molecule O=C(Nc1ccc(F)c(Cl)c1)NC1CCCCCC1 to have a lower QED value.,CC(=O)c1ccc(NC(=O)NC2CCCCCC2)cc1Cl
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)(C)c1nc(=O)cc(-c2ccccn2)[nH]1
BondNum,"There is a molecule consisting of 25 single bonds, 4 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",Cc1ccc(C(CC(=O)N2C(C)CCCC2C)N2C(=O)C3C4C=CC(C4)C3C2=O)o1
FunctionalGroup,The molecule has and 2 halo groups.,[NH3+]C(CCC(=O)[O-])c1c(F)c(Br)cc2c1OCO2
AddComponent,Please add a hydroxyl to the molecule O=C1Nc2cc(F)c(Br)cc2NC1C1CCCCC1.,O=C1Nc2cc(F)c(Br)cc2NC1C1CCC(O)CC1
SubComponent,Modify the molecule halo by substituting a COCCOc1nc[nH]c(=O)c1Br with a nitro.,COCCOc1nc[nH]c(=O)c1NO
DelComponent,Modify the molecule halo by removing a CSc1nn(C(=O)N(F)C(C)(C)C)c(=O)n1N.,CSc1nn(C(=O)NC(C)(C)C)c(=O)n1N
LogP,Please modify the molecule O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1ccccc1Br to decrease its LogP value.,O=C(COC(=O)S(=O)(=O)N1CCCCCC1)Nc1ccccc1Br
MR,Please optimize the molecule CCn1nc(C)cc1CC([NH2+]C)c1c(F)ccc(C)c1F to have a higher MR value.,CCn1nc(C)cc1CC([NH2+]C)c1cccc(C)c1F
QED,Please modify the molecule CC(C)C(=O)OCC(=O)N(C)C to decrease its QED value.,CCOC(=O)C(C)C
AtomNum,"There is a molecule with 21 carbon atoms, 8 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCOC(=O)c1c(NC(=O)COC(=O)c2cc(OC)ccc2OC)sc(C(C)=O)c1C
BondNum,"The molecule consists of 5 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(N)c(C(=O)Nc2ccon2)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 hydroxyl group.",C#CC(NC(=O)OCc1ccccc1)C(OCOC)C(C)O
AddComponent,Modify the molecule CC(C)Cc1nnc(NC(=O)NC2CCC3C[NH2+]CC3C2)s1 by adding a amine.,CC(C)(N)Cc1nnc(NC(=O)NC2CCC3C[NH2+]CC3C2)s1
SubComponent,Please substitute a halo in the molecule Cc1c(C(=O)NCc2cccc(F)c2)c2cccc(F)c2c(=O)n1CCC(F)(F)F with a thiol.,Cc1c(C(=O)NCc2cccc(S)c2)c2cccc(F)c2c(=O)n1CCC(F)(F)F
DelComponent,Remove a benzene ring from the molecule CCCCCCCCN(C(=O)C(CCSC)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccccc1C)c1cccc(C)c1C.,CCCCCCCCN(C(=O)C(CCSC)NC(=O)OC(C)(C)C)C(C(=O)NC)c1cccc(C)c1C
LogP,Please modify the molecule C=CCC1(C(=O)[O-])CC1(Cl)Cl to decrease its LogP value.,C=CCC1(C(=O)[O-])CC1Cl
MR,Optimize the molecule CCC(=NO)c1ccc(OCCSC)cc1 to have a higher MR value.,CCC(=NO)c1ccc(OCC(N)SC)cc1
QED,Modify the molecule COC(=O)CC[NH2+]CCN1CCN(C)CC1 to decrease its QED value.,COC(=O)CC[NH2+]CCN1CCN(C)C(S)C1
AtomNum,"The molecule is composed of 11 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",[NH3+]C1CCC(C(=O)c2cscc2Br)CC1
BondNum,"The molecule is composed of 11 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C(=O)CC(C)(C)CC(=O)[O-])c(Cl)c1
FunctionalGroup,Please generate a molecule composed of and 1 halo group.,CCOC(C[NH3+])CCn1cc(Cl)cn1
AddComponent,Add a thiol to the molecule CC(C)NC(=O)C1OC(CC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC1O.,CC(C)NC(=O)C1OC(CC(S)[NH+]2CCN(c3ccc(F)cc3)CC2)CCC1O
SubComponent,Substitute a halo in the molecule Cc1ccc(-c2csc(NC(=O)CSc3nnc(C(F)(F)F)n3C)n2)cc1C with a hydroxyl.,Cc1ccc(-c2csc(NC(=O)CSc3nnc(C(O)(F)F)n3C)n2)cc1C
DelComponent,Please remove a halo from the molecule COc1cccc(C(F)C2C[NH2+]C2)c1.,COc1cccc(CC2C[NH2+]C2)c1
LogP,Optimize the molecule CN(C)c1ncc(-c2cccc(C#N)c2)cc1C(F)(F)F to have a higher LogP value.,CN(Cc1ccccc1)c1ncc(-c2cccc(C#N)c2)cc1C(F)(F)F
MR,Modify the molecule Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)c1cc2ccccc2o1 to decrease its MR value.,Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)OCC(=O)c1cc2ccccc2o1
QED,Please optimize the molecule O=C([O-])CCc1ccc(NC(=O)Nc2cnns2)cc1 to have a lower QED value.,O=C([O-])CCNC(=O)Nc1cnns1
AtomNum,"The molecule contains 30 carbon atoms, 7 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(=Cc1csc(C)n1)C1([NH3+])CC=C(CC2OCCO2)CCCC(C)C(N=O)C(C)C(=O)C(C)(C)C(N=O)CC(=O)O1
BondNum,"The molecule has 15 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCc1ccccc1CNC(=O)C1CC12CC[NH2+]CC2
FunctionalGroup,"There is a molecule consisting of 1 amine group, and 1 sulfone group.",O=S(=O)(NC1CCCCC1)c1cccc2ncccc12
AddComponent,Please add a benzene ring to the molecule O=C1SC(=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N1CCCc1ccccc1.,O=C1SC(=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N1CCCc1ccccc1-c1ccccc1
SubComponent,Please substitute a halo in the molecule Nc1ccc2c(c1)nc(C(F)(F)F)n2Cc1cccnc1 with a nitrile.,N#CC(F)(F)c1nc2cc(N)ccc2n1Cc1cccnc1
DelComponent,Please remove a amine from the molecule Cc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C(=O)Nc4ccccc4C(=O)OC(C)C)c3)C2=O)c(C)c1.,Cc1ccc(N2C(=O)C(Cl)=C(c3cccc(C(=O)Nc4ccccc4C(=O)OC(C)C)c3)C2=O)c(C)c1
LogP,Optimize the molecule Cc1cc(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)c2cnn(C(C)C)c2n1 to have a lower LogP value.,Cc1c-c2(C3CCCc4c3cnn4Cc3ccccc3)cnn(C(C)C)c2n1
MR,Modify the molecule COc1ccc(C)cc1C1(C2(C#N)CCC2)COC1 to decrease its MR value.,COc1ccc(C)cc1C1(C2(NO)CCC2)COC1
QED,Optimize the molecule COCC[NH2+]CCCCc1cc(C)c(OC)c(C)c1 to have a lower QED value.,COCC[NH2+]CCC(O)Cc1cc(C)c(OC)c(C)c1
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC(=CC(=O)[O-])C[NH+]1CCC2(O)CCCCC2C1
BondNum,"The molecule has 16 single bonds, 5 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",NS(=O)(=O)c1ccc(N2C(=O)C(Nc3cccc(OC(F)(F)F)c3)=C(Sc3ccccc3)C2=O)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",CCCCN(CC)c1ccc(C(=O)NCCCn2nc3ccccn3c2=O)cc1
AddComponent,Add a hydroxyl to the molecule [NH3+]C1CCCC(C(=O)Nc2ccc(F)cc2OC(F)F)C1.,[NH3+]C1(O)CCCC(C(=O)Nc2ccc(F)cc2OC(F)F)C1
SubComponent,Substitute a hydroxyl in the molecule COc1cc(CC(C(=O)[O-])C(C)C)ccc1O with a nitrile.,COc1cc(CC(C(=O)[O-])C(C)C)ccc1C#N
DelComponent,Modify the molecule amide by removing a CCCOCCC(=O)N1CCOC(CC(=O)OC)C1.,CCCOCC1CCOC1CC(=O)OC
LogP,Optimize the molecule CCCCOCC(NC(=O)OC(C)(C)C)c1noc(C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)NC(C(=O)[O-])C(C)OCCCC)n1 to have a lower LogP value.,CCCCOCC(NC(=O)OC(C)(C)C)c1noc(C(CC(=O)NC(c2ccccc2)c2ccccc2)NC(=O)NC(C(=O)[O-])C(C)OCCCC)n1
MR,Please modify the molecule CCc1nc(C(=O)NCc2cc(F)ccc2Br)n[nH]1 to increase its MR value.,CCc1nc(C(=O)NCc2cc(S)ccc2Br)n[nH]1
QED,Please optimize the molecule CCn1nncc1C#CCCl to have a higher QED value.,CC#Cc1cnnn1CC
AtomNum,"The molecule contains 32 carbon atoms, 3 oxygen atoms, 1 sulfur atom, and 1 bromine atom.",Cc1sc2c(Br)c3ccccc3c(-c3ccc(OC(Cc4ccccc4)C(=O)[O-])c(C(C)C)c3)c2c1C
BondNum,"There is a molecule composed of 7 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",O=[N+]([O-])c1cc(Br)c(I)c(C(F)F)n1
FunctionalGroup,The molecule is composed of and 1 amide group.,CN(C)c1ncccc1CNC(=O)N1CCC(CC(N)=O)CC1
AddComponent,Please add a benzene ring to the molecule CCCCCC=CCC=CCC=CCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC.,CCCCCC=CCC=CCC=CCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCc1ccccc1
SubComponent,Substitute a halo in the molecule CSCC(C)N1C(=O)NC(=O)C(F)C1=O with a carboxyl.,CSCC(C)N1C(=O)NC(=O)C(C(=O)[OH])C1=O
DelComponent,Modify the molecule benzene ring by removing a C=CCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2ccc(F)cc2)C1=O.,C=CCN1C(=O)C(NCCl)=C(c2ccc(F)cc2)C1=O
LogP,Optimize the molecule O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC(C(=O)[O-])c1ccccc1 to have a lower LogP value.,O=C(CC[NH+]1CCN(c2ccccc2)CC1O)NC(C(=O)[O-])c1ccccc1
MR,Please modify the molecule COc1ccc(NC(C)=O)cc1NC(=O)C=CC1=Cc2cc(Cl)ccc2OC1 to decrease its MR value.,COc1ccc(NC(C)=O)cc1NC(=O)C=CC1=Cc2cc(C#N)ccc2OC1
QED,Optimize the molecule CCOC(=O)c1oc2cc(=O)cc([O-])c-2c(O)c1-c1ccc(Cl)cc1 to have a lower QED value.,CCOC(=O)c1oc2cc(=O)c(-c3ccccc3)c([O-])c-2c(O)c1-c1ccc(Cl)cc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CCOc1cccc(Sc2nc3ccc(N)cc3[nH]2)n1
BondNum,"The molecule has 5 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",C=Nc1c(C(=CC)c2cc(C)ccn2)oc2ccccc12
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amine group, 4 halo groups, and 1 sulfone group.",O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc(Nc3ccc(F)cc3)cc(-n3cnnc3)n2)CC1
AddComponent,Add a nitrile to the molecule OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cn1.,N#Cc1cc(F)cc(F)c1C(O)(Cn1cnnn1)C(F)(F)c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cn1
SubComponent,Substitute a halo in the molecule COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3C)C2c2cccc(Cl)c2Cl)c1OC with a nitro.,COc1cc(NO)cc(C2=C(O)C(=O)N(c3ccccc3C)C2c2cccc(Cl)c2Cl)c1OC
DelComponent,Remove a CC1CN(C(=O)C2COCCC2c2ccccc2)CCS(=O)(=O)C1 from the molecule benzene ring.,CC1CN(C(=O)C2CCCOC2)CCS(=O)(=O)C1
LogP,Modify the molecule c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c5cc[n+](-c6ccccc6)cc5)cc4)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1 to have a lower LogP value.,O=CCc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)cc3)c3cc[n+](-c4ccccc4)cc3)cc2)cc1
MR,Please optimize the molecule [NH2+]=C1C(c2nc(-c3cccs3)cs2)=C(O)CN1CCc1ccc(F)cc1 to have a higher MR value.,[NH2+]=C1C(c2nc(-c3cccs3)cs2)=C(O)CN1CCc1ccccc1
QED,Modify the molecule CCN(C(=O)c1cccn1C1CC1)C1CC[NH2+]CC1 to decrease its QED value.,CCN(C(=O)c1cccn1C1CC1)C1CC[NH2+]CC1O
AtomNum,"There is a molecule composed of 38 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CCC(C)NC(=O)c1cc(Cl)ccc1NC(=O)C1CCCN1C(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc2C)CC1
BondNum,"Please generate a molecule with 15 single bonds, 1 double bond, 2 rotatable bonds, and 5 aromatic bonds.",CN(C(=O)c1csc2c1CCCC2)C1CC[NH2+]CC1
FunctionalGroup,Please generate a molecule consisting and 7 benzene ring groups.,c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cc6c7ccccc7oc6c6ccccc56)cc4)cc3)cc2)cc1
AddComponent,Add a hydroxyl to the molecule COc1ccc(C=NNC(=O)C(CC(C)C)NC(=O)COc2ccccc2C)cc1.,COc1ccc(C=NNC(=O)C(CC(C)C)NC(=O)COc2ccccc2C)c(O)c1
SubComponent,Please substitute a hydroxyl in the molecule CCn1ncnc1CC(C)(O)c1ccc2c(c1)CCCC2 with a aldehyde.,CC(=O)C(C)(Cc1ncnn1CC)c1ccc2c(c1)CCCC2
DelComponent,Please remove a benzene ring from the molecule COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)cc1.,COC1NC(=O)NC(C)=C1C(=O)Nc1cc(Cl)ccc1C
LogP,Please optimize the molecule CC(C)(C)NC(=O)CCN1CC(O)CC1=O to have a higher LogP value.,CC(C)(C)NC(=O)CCN1CCCC1=O
MR,Please optimize the molecule C#CC(O)C#CCCCCCC to have a lower MR value.,C#CCC#CCCCCCC
QED,Modify the molecule N#Cc1ccc2sc(Cl)c(CO)c2c1 to increase its QED value.,CC(=O)Cc1c(Cl)sc2ccc(C#N)cc12
AtomNum,"The molecule contains 9 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC(C)CCCCCC(=O)NO
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",CC1CCCC(NC(=O)CCn2c(=O)n(C)c3ccccc32)C1C
FunctionalGroup,"Please generate a molecule consisting 1 amide group, 1 halo group, and 1 sulfide group.",Cc1sc(-c2ccno2)cc1-c1ccc(NC(=O)c2ccncc2F)nc1
AddComponent,Please add a carboxyl to the molecule CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cc(Br)ccc1O.,CCCc1nnc(SCc2ccc(C)cc2C)n1N=C(C(=O)O)c1cc(Br)ccc1O
SubComponent,Please substitute a hydroxyl in the molecule CCCOc1ccc(C=C2SC(=S)[N-]C2=O)c(O)c1 with a nitro.,CCCOc1ccc(C=C2SC(=S)[N-]C2=O)c(NO)c1
DelComponent,Please remove a halo from the molecule COc1ccc(C(=O)c2c[nH]c3cc(Cl)ccc23)c(OC)c1.,COc1ccc(C(=O)c2c[nH]c3ccccc23)c(OC)c1
LogP,Please modify the molecule O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(Cl)cc3)cc2o1 to decrease its LogP value.,O=c1cc(C(F)(F)F)c2ccc(OCCl)cc2o1
MR,Optimize the molecule CC(=O)Nc1cccc(-n2c(C)nnc2SCC(=O)N2CCNC2=O)c1 to have a lower MR value.,CC(=O)Nc1cccc(-n2c(C)nnc2[SH]2CCNC2=O)c1
QED,Modify the molecule O=C(NCCc1cccs1)c1cc(O)cc(O)c1 to decrease its QED value.,O=C(NCCc1cccs1)c1cc(O)cc(O)c1O
AtomNum,"There is a molecule consisting of 11 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",CCCNC(=O)CCNc1nc(OC)nc(OC)n1
BondNum,"The molecule consists of 9 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C(=O)OC(C)(C)C)c(O)c1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, and 1 halo group.",COCCN(CCOc1ccccc1F)C(=O)c1ccccc1-c1ncc[nH]1
AddComponent,Add a carboxyl to the molecule CC(=O)OC1(c2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2)CC1.,CC(=O)OC1(c2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2)CC1C(=O)O
SubComponent,Modify the molecule Nc1cc(SC(F)(F)F)c(F)cc1OC(F)(F)F by substituting a halo with a nitrile.,N#CC(F)(F)Sc1cc(N)c(OC(F)(F)F)cc1F
DelComponent,Please remove a hydroxyl from the molecule O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)CC1.,O=C(c1ccccc1)N1CCN(C(=O)c2cccc(Cc3ccccc3)c2)CC1
LogP,Optimize the molecule CCN(CC(=O)NC)CC([NH3+])C(=O)[O-] to have a lower LogP value.,CNC(=O)CN(CCO)CC([NH3+])C(=O)[O-]
MR,Please optimize the molecule COc1ccccc1CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1 to have a lower MR value.,COc1ccccc1CCCc1ccc(C(=O)[O-])cc1
QED,Please modify the molecule COC(=O)CN(C)C(=O)C1CC1C to decrease its QED value.,COC(=O)C(C(=O)O)N(C)C(=O)C1CC1C
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COc1cccc(C2C(OC)COC[NH+]2C2CCCCC2)c1
BondNum,"Please generate a molecule with 6 single bonds, and 6 aromatic bonds.",Cc1ccc2c(c1)C(Cl)CC2
FunctionalGroup,"There is a molecule consisting of 1 amine group, and 2 sulfide groups.",Cc1cc(Nc2nc(OC3CCC([NH3+])CC3)c3sccc3n2)sn1
AddComponent,Add a benzene ring to the molecule CCOC(=O)C=C1CSC(NN=Cc2ccc(Cl)cc2)=[NH+]1.,CCOC(=O)C=C1CSC(NN=Cc2ccc(Cl)cc2-c2ccccc2)=[NH+]1
SubComponent,Modify the molecule hydroxyl by substituting a COc1cc(C)cc(Oc2cc(C)c(C(C)=O)c(O)c2)c1O with a nitro.,COc1cc(C)cc(Oc2cc(C)c(C(C)=O)c(NO)c2)c1O
DelComponent,Remove a halo from the molecule CN1CCc2cc(C(N)=[NH+]O)cc(Br)c21.,CN1CCc2cc(C(N)=[NH+]O)ccc21
LogP,Optimize the molecule CC12CCC3C(CCC4CC(Br)C5CC43CO5)C1CCC2O to have a lower LogP value.,CC12CCC3C(CCC4CC(NO)C5CC43CO5)C1CCC2O
MR,Modify the molecule CCNC(=O)c1ccc(-n2nnnc2C2c3c(cc4c(c3OC)OCO4)CC[NH+]2C)cc1 to decrease its MR value.,CCNC(=O)n1nnnc1C1c2c(cc3c(c2OC)OCO3)CC[NH+]1C
QED,Modify the molecule Cc1ccc(NC(=O)C[NH3+])cc1NC(=O)c1ccc(C(C)(C)C)cc1 to decrease its QED value.,Cc1ccc(NC(=O)C[NH3+])cc1NC(=O)C(C)(C)C
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",N#Cc1ccc2[nH+]cc(C[NH2+]C3CCOc4ccc(F)cc43)n2c1
BondNum,"The molecule contains 21 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)N(C(=O)[O-])C1CN(C(=O)C2CC[NH2+]CC2)CC1c1ccc(Cl)cc1
FunctionalGroup,"There is a molecule consisting of 1 halo group, and 1 sulfide group.",Cc1nc(COc2ccc3ccccc3c2CBr)cs1
AddComponent,Modify the molecule COC(=O)c1ccc(C)c(NC(=O)C=Cc2cc(Cl)c(OC)c(OC)c2)c1 by adding a carboxyl.,COC(=O)c1ccc(C)c(NC(=O)C=Cc2cc(Cl)c(OCC(=O)O)c(OC)c2)c1
SubComponent,Modify the molecule nitrile by substituting a COc1cc(OC)cc(C2OC34CCC(c5ccccc5)CC3C(C#N)(C(=N)O4)C2(C#N)C#N)c1 with a halo.,COc1cc(OC)cc(C2OC34CCC(c5ccccc5)CC3C(Cl)(C(=N)O4)C2(C#N)C#N)c1
DelComponent,Remove a amide from the molecule CC([NH3+])CC(=O)NC1COc2c1ccc(Cl)c2Cl.,CC([NH3+])C1COc2c1ccc(Cl)c2Cl
LogP,Modify the molecule COc1cccc2c1OCCCN(C(=O)c1cnc(-c3cccnc3)nc1)C2 to have a lower LogP value.,COc1cccc2c1OCCCN(C(=O)c1cnc(-c3cccnc3)nc1O)C2
MR,Optimize the molecule C=C(C[NH2+]C(C)(C)C)CN1C(=O)C(C)(C)S1(=O)=O to have a higher MR value.,C=C(C[NH2+]C(C)(C)C)CN1C(=O)C(C)(CCC=O)S1(=O)=O
QED,Please optimize the molecule O=C(Nc1ccccc1SC(F)F)N1CCCN(C(=O)c2ccc(F)cc2)CC1 to have a higher QED value.,O=C(NSC(F)F)N1CCCN(C(=O)c2ccc(F)cc2)CC1
AtomNum,"There is a molecule with 13 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CC1(CCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
BondNum,"There is a molecule with 10 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(C([NH3+])c2ccc3c(c2)CCCO3)c1C
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, and 2 amide groups.",O=C(Nc1cccc(C(=O)NC2CCCCC2)c1)c1cccc(OCCc2ccccc2)c1
AddComponent,Please add a aldehyde to the molecule O=C([O-])c1cccc2cc(OCP(=O)([O-])[O-])ccc12.,O=CCc1ccc(C(=O)[O-])c2ccc(OCP(=O)([O-])[O-])cc12
SubComponent,Modify the molecule COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCC(=O)[O-])C2=O)cc1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(OCC(=O)[O-])c(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1
DelComponent,Please remove a hydroxyl from the molecule CCC1C(O)C(O)C(CO)[NH+]1C.,CCC1CC(O)C(CO)[NH+]1C
LogP,Modify the molecule CC(=O)Nc1ccc(-c2ccc(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)cc2)cc1 to have a lower LogP value.,CC(=O)Nc1ccc(-c2ccc(-c3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)cc2)cc1
MR,Optimize the molecule NC(=[NH+]Cc1cccnc1OCC(F)F)N1CCN(c2nccs2)CC1 to have a higher MR value.,CC(=O)C(F)COc1ncccc1C[NH+]=C(N)N1CCN(c2nccs2)CC1
QED,Optimize the molecule CC1CC1CN(C)c1nccc(C(=O)[O-])c1Cl to have a lower QED value.,CC1CC1CN(C)c1cc(C(=O)[O-])ccn1
AtomNum,"The molecule has 24 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc2c(c1)CCCC2NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O
BondNum,"The molecule consists of 17 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",O=C(C1CC(O)C[NH2+]1)N1CCOC(c2ccc(F)c(Cl)c2)C1
FunctionalGroup,"The molecule contains 4 benzene ring groups, 2 amide groups, 2 halo groups, and 1 sulfone group.",Cc1ccc(CN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)C(Cc2ccccc2)C(=O)NC2CCCC2)cc1
AddComponent,Add a hydroxyl to the molecule C=CCCC[NH2+]CC(C)CCO.,C=CCC(O)C[NH2+]CC(C)CCO
SubComponent,Modify the molecule halo by substituting a C=CCCOc1cccc(S(=O)(=O)Cl)c1 with a thiol.,C=CCCOc1cccc(S(=O)(=O)S)c1
DelComponent,Please remove a amine from the molecule CC(C)CCNC(=O)C(C)Nc1ccccc1Cl.,CC(C)CCNC(=O)C(C)c1ccccc1Cl
LogP,Optimize the molecule Cc1cccc(CC2(O)CC[NH+](Cc3nc(C4CCCC4)no3)CC2)c1 to have a lower LogP value.,Cc1cccc(CC2(O)CC[NH+](Cc3nc(C4CCCC4)no3)C(O)C2)c1
MR,Modify the molecule CCN(CC1CCC[NH+](CCc2cccc(F)c2)C1)C(=O)c1ccc[nH]1 to have a higher MR value.,CCN(CC1CCC[NH+](CCc2cccc(NO)c2)C1)C(=O)c1ccc[nH]1
QED,Please modify the molecule CCc1nn(C)c(CC(O)CSCC(C)C)c1Br to decrease its QED value.,CCc1nn(C)c(CC(S)CSCC(C)C)c1Br
AtomNum,"There is a molecule composed of 37 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Cn1c(-c2ccccc2)nc2c1CCC(COCCCCc1ccccc1)C2(c1ccccc1)c1ccccc1
BondNum,"There is a molecule composed of 11 single bonds, 2 double bonds, 4 rotatable bonds, and 26 aromatic bonds.",CCn1c2ccccc2c2cc(C=CC3=[N+](CC)c4ccc5ccccc5c4C3(C)C)ccc21
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 thioether group, 1 nitrile group, and 1 sulfide group.",Cc1nc(SC(C)C(O)=C(C#N)c2nc3ccccc3[nH]2)oc1C
AddComponent,Please add a thiol to the molecule C[NH+]=C(NCCN(C)C(=O)OC(C)(C)C)NCc1coc(-c2ccc(C)cc2)n1.,C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)NCC(S)N(C)C(=O)OC(C)(C)C
SubComponent,Modify the molecule hydroxyl by substituting a Cn1nnc(CCC(O)C2CC2)n1 with a aldehyde.,CC(=O)C(CCc1nnn(C)n1)C1CC1
DelComponent,Please remove a amide from the molecule Cc1ccccc1CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1.,Cc1ccccc1C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1
LogP,Please optimize the molecule CN(C)C(C#N)c1cccc(F)c1 to have a lower LogP value.,CN(C)C(F)C#N
MR,Optimize the molecule Cc1cc(-c2cc(-c3cc(C)c(C(=O)[O-])c(C)c3)cc(-c3cc(C)c(C(O)O)c(C)c3)c2)cc(C)c1C(=O)[O-] to have a higher MR value.,Cc1cc(-c2cc(-c3cc(C)c(C(=O)[O-])c(C)c3)cc(-c3cc(C)c(C(O)O)c(C)c3O)c2)cc(C)c1C(=O)[O-]
QED,Modify the molecule CCOC(=O)c1c(NC(=O)CSc2cn(CCNC(=O)c3ccccc3F)c3ccccc23)sc2c1CCC2 to have a lower QED value.,CCOC(=O)c1c(NC(=O)C(Sc2cn(CCNC(=O)c3ccccc3F)c3ccccc23)c2ccccc2)sc2c1CCC2
AtomNum,"The molecule has 17 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCOC(=O)Nc1ccc(Nc2c(C)cccc2CC)cn1
BondNum,"Please generate a molecule with 20 single bonds, 2 double bonds, and 15 rotatable bonds.",CCSSCCC(=O)NCC[NH+](C)CCNC(=O)CSSCC
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 3 hydroxyl groups, 1 aldehyde group, and 1 amide group.",C=CCOC12Oc3ccc(Oc4cccc(C=O)c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOCc4ccccc4)CC1N(CCOCCO)C(=O)CCC1CCCC1)C32
AddComponent,Add a benzene ring to the molecule CCCNCC(NCCC)[NH2+]CCC.,CCCNC(CNCC(C)c1ccccc1)[NH2+]CCC
SubComponent,Substitute a hydroxyl in the molecule CC(C)CC(NC(=O)C(Cc1ccccc1)N1C(=O)C(CC(C)C)C(c2ccc(O)cc2)C1=O)C(=O)[O-] with a carboxyl.,CC(C)CC(NC(=O)C(Cc1ccccc1)N1C(=O)C(CC(C)C)C(c2ccc(C(=O)[OH])cc2)C1=O)C(=O)[O-]
DelComponent,Please remove a amine from the molecule CN1CC[NH+](CCCC(C)(C)C(N)=[NH2+])CC1(C)C.,CN1CC[NH+](CCCC(C)(C)C=[NH2+])CC1(C)C
LogP,Please modify the molecule COCCCOC1=C(Cl)CC2C[NH2+]C(C(C)(C)COC)CC2=C1 to increase its LogP value.,COCC(C)(C)C1CC2=CC(OCCCOCc3ccccc3)=C(Cl)CC2C[NH2+]1
MR,Modify the molecule CCc1nn(CC)c(CC(=O)C2CN(C)CC[NH+]2C)c1Cl to decrease its MR value.,CCc1cc(CC(=O)C2CN(C)CC[NH+]2C)n(CC)n1
QED,Modify the molecule COCC(=O)NC1C(=O)N2C(C(C)=O)=C(C=O)CCC12 to have a lower QED value.,COC1C(=O)N2C(C(C)=O)=C(C=O)CCC12
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, and 1 fluorine atom.",O=C([O-])CC1CCCCC1Cc1cccc(F)c1
BondNum,"The molecule has 20 single bonds, 2 double bonds, and 2 rotatable bonds.",CCC1(C(=O)[O-])C[NH2+]CC12CCN(C(=O)OC(C)(C)C)C2
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 halo group.",COc1cccc(C[NH+]2CCc3[nH]c(C(C)C)nc(=O)c3C2)c1F
AddComponent,Please add a hydroxyl to the molecule O=C(N=c1ccccn1[O-])Nc1cccc(F)c1.,O=C(N=c1ccccn1[O-])Nc1cc(F)ccc1O
SubComponent,Please substitute a halo in the molecule COc1ccc(-c2nc(C(=O)Nc3ccc(OC)c(OC(F)F)c3)cs2)cc1 with a hydroxyl.,COc1ccc(-c2nc(C(=O)Nc3ccc(OC)c(OC(O)F)c3)cs2)cc1
DelComponent,Please remove a CC(C)(CO)c1cc(I)cc(I)c1O from the molecule hydroxyl.,CC(C)(C)c1cc(I)cc(I)c1O
LogP,Optimize the molecule COc1ccccc1-c1cnc(N)cc1Cl to have a higher LogP value.,COc1ccccc1-c1c(Cl)cc(N)nc1-c1ccccc1
MR,Modify the molecule CCCCOc1cccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)C2c2ccc(OCC)c(OCC)c2)c1 to decrease its MR value.,CCCCOC1=C(O)C(=O)N(c2cc(Cl)ccc2OC)C1c1ccc(OCC)c(OCC)c1
QED,Please optimize the molecule Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1nc(C(=O)Nc3cccc(Cl)c3)nn12 to have a lower QED value.,Cc1ccc2c(c1)n(Cc1cccc(S)c1)c(=O)c1nc(C(=O)Nc3cccc(Cl)c3)nn12
AtomNum,"There is a molecule composed of 18 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",CC[NH+]1CCN(C(=O)C(C)[NH+](C)Cc2ccc(OC(F)F)cc2)CC1
BondNum,"The molecule contains 13 single bonds, 1 double bond, 8 rotatable bonds, and 11 aromatic bonds.",CCCCCCc1c(C)nn(C(=O)COc2ccccc2C)c1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, 1 amide group, 2 amine groups, and 2 halo groups.",CCC(CC(N)=[NH+]O)NC(=O)c1cc(Br)ccc1F
AddComponent,Add a thiol to the molecule COc1ccc(OCC(=O)NC2CCCCCC2)c(C(C)(C)C)c1.,COc1cc(S)c(OCC(=O)NC2CCCCCC2)c(C(C)(C)C)c1
SubComponent,Please substitute a halo in the molecule C[NH2+]CCN(C)C(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 with a nitrile.,C[NH2+]CCN(C)C(=O)Cc1cc(C#N)c(OC)c(S(N)(=O)=O)c1
DelComponent,Modify the molecule hydroxyl by removing a OCC1(CC2CC2)CCCN(c2nccc(C(F)(F)F)n2)C1.,CC1(CC2CC2)CCCN(c2nccc(C(F)(F)F)n2)C1
LogP,Please modify the molecule Cc1n[nH]c(C)c1CC(C)C(=O)N(C)CC1CCCC1O to increase its LogP value.,Cc1n[nH]c(C)c1CC(C)C(=O)N(C)CC1CCCC1
MR,Optimize the molecule O=C([O-])C1CC(NC(=O)C2CNNC2c2ccc(F)cc2)C1 to have a higher MR value.,O=C([O-])C1CC(NC(=O)C2CNNC2c2ccccc2)C1
QED,Modify the molecule CCNc1nc(Nc2cccc(Cl)c2C)c2cn[nH]c2n1 to decrease its QED value.,CC(=O)c1cccc(Nc2nc(NCC)nc3[nH]ncc23)c1C
AtomNum,"Please generate a molecule with 10 carbon atoms, 3 oxygen atoms, and 6 nitrogen atoms.",CN(C)C(=O)N1CCN(C(=O)c2nonc2N)CC1
BondNum,"The molecule contains 20 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCC2CCCCC2C1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, and 1 halo group.",Cc1ccc(Cl)cc1OCCCn1cc(N)ccc1=O
AddComponent,Add a aldehyde to the molecule Fc1ccc(-c2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1.,O=CCc1cccc2nc(-c3ccc(F)cc3)nc(Nc3ccc4c(c3)OCO4)c12
SubComponent,Please substitute a Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 in the molecule halo with a thiol.,Cc1cc(S)ccc1OCC(=O)Nc1ccc(N2CCC(C)CC2)cc1
DelComponent,Modify the molecule halo by removing a NOC(=O)c1ccc(C(=O)CI)cc1.,CC(=O)c1ccc(C(=O)ON)cc1
LogP,Modify the molecule CCN(CC)c1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2CCOC)cc1 to decrease its LogP value.,CCN(CC)c1ccc(C2C(C(=O)C(C)(C)CO)=C(O)C(=O)N2CCOC)cc1
MR,Modify the molecule COCCC(Cc1cccc(Br)c1)C(=O)N1CCC([NH3+])CC1 to decrease its MR value.,COCCC(Cc1cccc(C(=O)[OH])c1)C(=O)N1CCC([NH3+])CC1
QED,Modify the molecule O=C([O-])C1CCCN(C(=O)NCc2cccc(-c3ccccn3)c2)C1 to decrease its QED value.,O=C([O-])C1CCCN(C(=O)NCc2ccccn2)C1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 bromine atom.",Cc1ccc(C(=O)c2c(Br)cnn2C(C)C)cn1
BondNum,"Please generate a molecule composed of 17 single bonds, 2 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",NC(NC1CCCCC1)=[NH+]CC(=O)N1CCc2sccc2C1
FunctionalGroup,"The molecule contains 3 benzene ring groups, 1 amide group, 1 amine group, 2 halo groups, and 1 sulfone group.",O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(CN2CCc3ccccc32)cc1
AddComponent,Please add a hydroxyl to the molecule CCC(C)(C)c1cc(CCCCCCO)cc(Cc2cc(CCCCCCO)cc(C(C)(C)CC)c2O)c1O.,CCC(C)(C)c1cc(CCCCCCO)cc(Cc2cc(CCCCCCO)cc(C(C)(C)CCO)c2O)c1O
SubComponent,Please substitute a Cc1oc(C(=O)[O-])cc1C[NH2+]CC(O)CO in the molecule hydroxyl with a nitrile.,Cc1oc(C(=O)[O-])cc1C[NH2+]CC(C#N)CO
DelComponent,Remove a benzene ring from the molecule Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3c4ccccc4N(CC(=O)[O-])C(=O)CC3C)cc2)cc1.,Cc1ccc(C(=O)Nc2ccc(C(=O)N3c4ccccc4N(CC(=O)[O-])C(=O)CC3C)cc2)cc1
LogP,Optimize the molecule Cc1ccc(N2CC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2=O)cc1 to have a lower LogP value.,Cc1ccc(N2CC(C(=O)NCC(F)(F)F)CC2=O)cc1
MR,Please modify the molecule CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CSC12)c1cccc(OC)c1 to increase its MR value.,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)C(O)SC12)c1cccc(OC)c1
QED,Please optimize the molecule O=C1N(c2ccccc2)CC2C(c3ccccc3)C12CO to have a lower QED value.,O=C1N(c2ccccc2)CC2CC12CO
AtomNum,"There is a molecule composed of 19 carbon atoms, 6 oxygen atoms, 10 nitrogen atoms, and 1 sulfur atom.",O=c1c(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccc2nnnn2n1
BondNum,"Please generate a molecule with 22 single bonds, 3 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1cc(C(C)(C)C)[nH]n1)C2=O
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 3 amide groups, and 1 sulfone group.",CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1
AddComponent,Please add a amine to the molecule Cc1c(CCl)sc2c(C#N)cccc12.,Cc1c(C(N)Cl)sc2c(C#N)cccc12
SubComponent,Please substitute a CC(Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1nc(C(C)(C)C)no1 in the molecule halo with a thiol.,CC(Nc1ccc(NC(=O)c2ccc(S)cc2)cc1)c1nc(C(C)(C)C)no1
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccccc1OCC[NH2+]Cc1ccccc1C.,CC[NH2+]CCOc1ccccc1OCC
LogP,Modify the molecule CCN(CC)C(=O)Nc1cccc(OCCCC#N)c1 to decrease its LogP value.,CCN(CC)C(=O)NOCCCC#N
MR,Please modify the molecule O=C(CCCCCNc1c2c([nH+]c3ccccc13)CCCC2)Nc1ccc(-c2nc3ccccc3s2)cc1 to decrease its MR value.,O=C(CCCCCc1c2c([nH+]c3ccccc13)CCCC2)Nc1ccc(-c2nc3ccccc3s2)cc1
QED,Please optimize the molecule COc1ccccc1N1CCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1 to have a higher QED value.,COc1ccccc1N1CCN(C(=O)c2c(-c3c(O)cccc3Cl)noc2C)CC1
AtomNum,"The molecule contains 28 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)cc1
BondNum,"There is a molecule composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CCCc1cc(=O)nc(Sc2ncc(N)cc2Cl)[nH]1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ketone group, 1 thioether group, and 2 sulfide groups.",O=C1CCCC1Sc1ncnc2sc(-c3ccccc3)cc12
AddComponent,Add a amine to the molecule COCCOc1ccc(NC(=O)C2COCC[NH2+]2)cn1.,COCCOc1ccc(NC(=O)C2COCC[NH2+]2)c(N)n1
SubComponent,Modify the molecule halo by substituting a CCC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 with a thiol.,CCC(Oc1cccc(S)c1)C(=O)NCc1ccc(N2CCOCC2)cc1
DelComponent,Modify the molecule benzene ring by removing a Fc1cc(CC2CCC[NH2+]2)ccc1OCC1CC1.,FC(OCC1CC1)C1CCC[NH2+]1
LogP,Please optimize the molecule CC(CCS(C)=O)[NH2+]Cc1cc(C(=O)[O-])cs1 to have a lower LogP value.,CC(CCS(C)=O)[NH2+]C(C(=O)O)c1cc(C(=O)[O-])cs1
MR,Optimize the molecule Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)C2c2ccncc2)cc1 to have a higher MR value.,Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3O)C2c2ccncc2)cc1
QED,Optimize the molecule CC1(C)Cc2c(OC(F)F)cccc2C(c2cnn3cccc3c2)=N1 to have a higher QED value.,CC1(C)Cc2c(OCF)cccc2C(c2cnn3cccc3c2)=N1
AtomNum,"The molecule contains 21 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",CN([O-])Cc1ccc(CSCC[NH+]=C(C[N+](=O)[O-])NCCSCc2coc(C[NH+](C)C)c2)o1
BondNum,"The molecule consists of 16 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",O=S(=O)(NCC1CC[NH+](Cc2ccsc2)CC1)c1ccc2c(c1)CCO2
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, 1 amine group, 2 halo groups, and 1 sulfone group.",Cc1cc(F)c(S(=O)(=O)NCC(C)(C)CC(C)O)cc1F
AddComponent,Please add a hydroxyl to the molecule OCCC(Nc1ccc2nccnc2n1)c1ccco1.,OCCC(Nc1ccc2nccnc2n1)c1cc(O)co1
SubComponent,Please substitute a halo in the molecule FC(F)(F)CCCOCc1cc(C[NH2+]C2CC2)co1 with a carboxyl.,O=C([OH])C(F)(F)CCCOCc1cc(C[NH2+]C2CC2)co1
DelComponent,Please remove a benzene ring from the molecule COC(=O)c1ccccc1NC(=O)n1c(=O)oc2cc(N)ccc21.,COC(=O)NC(=O)n1c(=O)oc2cc(N)ccc21
LogP,Please optimize the molecule CC(C)(CO)[NH2+]CC(O)COS(=O)(=O)[O-] to have a higher LogP value.,CC(C)(CO)[NH2+]CCCOS(=O)(=O)[O-]
MR,Please optimize the molecule Cc1cccc(C)c1Nc1cc(C(=O)NCC(C)C)ccn1 to have a lower MR value.,CC(C)CNC(=O)c1ccnc(N(C)C)c1
QED,Modify the molecule COc1cccc(N2C(=O)C(Nc3ccc(OC)c(Cl)c3)=C(c3ccc(C)cc3)C2=O)c1 to have a lower QED value.,CC(=O)c1cc(NC2=C(c3ccc(C)cc3)C(=O)N(c3cccc(OC)c3)C2=O)ccc1OC
AtomNum,"The molecule is composed of 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",O=C(c1ccc(=O)[nH]c1)N1CC2CCCC(C2)C1
BondNum,"Please generate a molecule consisting 17 single bonds, 9 rotatable bonds, and 18 aromatic bonds.",COC(c1ccccc1)C(C)[NH+](C)CC1[CH][CH][CH]C1P(c1ccccc1)c1ccccc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, 1 halo group, and 1 sulfone group.",C=CC1CN(S(=O)(=O)C(C)(C)C)CC1C(O)c1ccc(Cl)cc1
AddComponent,Please add a benzene ring to the molecule O=[N+]([O-])c1ccc(NC2C3C[NH2+]CC32)cn1.,O=[N+]([O-])c1ncc(NC2C3C[NH2+]CC32)cc1-c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a O=C1c2[nH]nc(-c3ccccc3O)c2C(c2cccs2)N1Cc1cccnc1 with a aldehyde.,CC(=O)c1ccccc1-c1n[nH]c2c1C(c1cccs1)N(Cc1cccnc1)C2=O
DelComponent,Please remove a amide from the molecule CCCCCS(=O)(=O)CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1.,CCCCCS(=O)(=O)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1
LogP,Please optimize the molecule CC1CCN(C(=O)C2CC=CC2)CC1C[NH3+] to have a lower LogP value.,CC1C(C[NH3+])CN(C(=O)C2CC=CC2)CC1CC=O
MR,Please modify the molecule O=C([O-])COc1nn(Cc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc12 to decrease its MR value.,O=C([O-])COc1nn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12
QED,Optimize the molecule C=C(C=Cc1ccccn1)c1ccc(Sc2cccc(OCCCC(=O)NO)c2C(=O)NC)cc1NC to have a higher QED value.,C=C(C=Cc1ccccn1)c1ccc(Sc2cccc(OCCCC(=O)NC(=O)[OH])c2C(=O)NC)cc1NC
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(N2CC[NH+](CC(N)=O)C(Cc3ccccc3)C2)cc1OC1CCC1
BondNum,"The molecule has 8 single bonds, 4 double bonds, 2 triple bonds, and 4 rotatable bonds.",N#CC=CC(=O)OOOC(=O)C=CC#N
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 3 halo groups.",COc1cc2c(cc1OC)C(c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ccc(C)cc1)CC2
AddComponent,Please add a aldehyde to the molecule COc1cccnc1-c1cc(C[NH2+]C2CC2)ccc1C.,COc1cccnc1-c1cc(C[NH2+]C2(CC=O)CC2)ccc1C
SubComponent,Please substitute a halo in the molecule N#CCc1cc(-c2ccc(Cl)c(Cl)c2)cnc1-c1ccc(Cl)c(Cl)c1 with a nitro.,N#CCc1cc(-c2ccc(NO)c(Cl)c2)cnc1-c1ccc(Cl)c(Cl)c1
DelComponent,Remove a CCC(C)(C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] from the molecule halo.,CCC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-]
LogP,Optimize the molecule CC(C)(C)OC(=O)C([NH3+])Cc1ccc(Cl)c(Cl)c1 to have a lower LogP value.,CC(=O)c1ccc(CC([NH3+])C(=O)OC(C)(C)C)cc1Cl
MR,Optimize the molecule CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)c1nn(CC2CCCCC2)c(=O)o1 to have a lower MR value.,CC(C)CC(CC(C)C)(NC(=O)OCc1ccccc1)C(=O)c1nn(CC2CCCCC2)c(=O)o1
QED,Modify the molecule CCc1ccc(C(NN)c2ccc(Cl)c(Cl)c2)cc1 to decrease its QED value.,CCc1ccc(C(NN)c2ccc(C(=O)[OH])c(Cl)c2)cc1
AtomNum,"There is a molecule with 25 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC(C)CCCC(C)CCCOc1ccc(CCC([NH3+])(CO)CC2CC2)c(O)c1
BondNum,"Please generate a molecule with 8 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",Cc1cc(-c2nnnn2CC(C)CC(=O)[O-])ccn1
FunctionalGroup,"The molecule is composed of 3 sulfide groups, and 3 disulfide groups.",CCOSC(=O)SSSSC(=O)SOCC
AddComponent,Modify the molecule CCCCP(=O)(CC)OCCC by adding a hydroxyl.,CCCCP(=O)(CC)OCC(C)O
SubComponent,Substitute a hydroxyl in the molecule COC(O)=CN=Cc1ccccc1 with a aldehyde.,CC(=O)C(=CN=Cc1ccccc1)OC
DelComponent,Please remove a benzene ring from the molecule CCc1ccccc1NC(=O)SCc1ccccc1.,CCc1ccccc1NC(=O)SC
LogP,Optimize the molecule Cc1cc(C)c(C2CCCC(C(F)(F)F)N2)c(F)c1 to have a lower LogP value.,Cc1cc(C)c(C2CCCC(C(F)(F)C(=O)[OH])N2)c(F)c1
MR,Please optimize the molecule COc1cc(NCC2CCCCC2C)c(F)cc1[N+](=O)[O-] to have a lower MR value.,COc1cc(CC2CCCCC2C)c(F)cc1[N+](=O)[O-]
QED,Modify the molecule CC([NH3+])CC1CCN(C(=O)OCc2ccccc2)CC1 to decrease its QED value.,COC(=O)N1CCC(CC(C)[NH3+])CC1
AtomNum,"There is a molecule composed of 12 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",CC(C)C(C)C(=O)N(CCCl)C1CCC1
BondNum,"The molecule consists of 23 single bonds, 4 double bonds, and 5 rotatable bonds.",COC(=O)C(=C(C)C)C(CC1CCCCN1C(=O)OC(C)(C)C)OC(C)=O
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amine group, and 3 halo groups.",COc1ccc(Br)cc1NC(C)c1ccc(F)c(Cl)c1
AddComponent,Modify the molecule CCOc1ccc(C2=C([NH+]3CCCC(CO)C3)C(=O)N(Cc3ccccc3OC)C2=O)cc1 by adding a carboxyl.,COc1ccccc1CN1C(=O)C(c2ccc(OC(C)C(=O)O)cc2)=C([NH+]2CCCC(CO)C2)C1=O
SubComponent,Substitute a nitrile in the molecule Cc1nc(-c2ccc(C#N)cc2)sc1C(=O)N1CC[NH+](C(C)C)CC1 with a hydroxyl.,Cc1nc(-c2ccc(O)cc2)sc1C(=O)N1CC[NH+](C(C)C)CC1
DelComponent,Remove a benzene ring from the molecule Cc1cc(Cl)ccc1NC(=O)c1cncc(C(=O)N2CCC(C)CC2)c1.,CC1CCN(C(=O)c2cncc(C(=O)N(C)Cl)c2)CC1
LogP,Optimize the molecule O=C(NCCN1C(=O)SC(=Cc2ccc3c(c2)OCO3)C1=O)c1c(F)cccc1F to have a lower LogP value.,O=C([OH])c1cccc(F)c1C(=O)NCCN1C(=O)SC(=Cc2ccc3c(c2)OCO3)C1=O
MR,Please optimize the molecule Cc1ccc(C(=O)NC2CCCC2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(Cl)c(C(=O)NCC(C)C)c2)C(C)C)CC1 to have a higher MR value.,Cc1ccc(C(=O)NC2CCCC2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(NO)c(C(=O)NCC(C)C)c2)C(C)C)CC1
QED,Modify the molecule COc1ccccc1C(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2nc(C)ccc2c1=O to have a lower QED value.,COc1ccccc1C(=O)c1cn(CC(=O)Nc2ccccc2NO)c2nc(C)ccc2c1=O
AtomNum,"Please generate a molecule with 9 carbon atoms, 7 oxygen atoms, and 5 nitrogen atoms.",NC(=[NH2+])n1c(=O)[nH]c(=O)n(C2OC(CO)C(O)C2O)c1=O
BondNum,"The molecule contains 7 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",CC(=O)Nc1cc(C)ccc1-c1ccc(C(=O)[O-])o1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 halo group.",CCc1cc(F)cc(CC)c1N=C=S
AddComponent,Modify the molecule COc1cccc(C(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[NH+](C)C)c1 by adding a hydroxyl.,COc1cccc(C(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3O)cc2)[NH+](C)C)c1
SubComponent,Substitute a hydroxyl in the molecule COC1C2OC2C2(OC)C3CCC4(C)C(c5ccc(=O)oc5)C(Cl)(Cl)CC4(O)C3=CCC2C1(C)C with a nitro.,COC1C2OC2C2(OC)C3CCC4(C)C(c5ccc(=O)oc5)C(Cl)(Cl)CC4(NO)C3=CCC2C1(C)C
DelComponent,Please remove a benzene ring from the molecule c1ccc(SCCN2CC[NH+](CCSc3ccccc3)CC2)cc1.,SCC[NH+]1CCN(CCSc2ccccc2)CC1
LogP,Please optimize the molecule CC(C)CCNC(=O)C[NH2+]C1CCS(=O)CC1 to have a higher LogP value.,CC(C)(CCNC(=O)C[NH2+]C1CCS(=O)CC1)c1ccccc1
MR,Modify the molecule CC(C)(C)C([NH3+])C(=O)NCCc1cccc(Cl)c1 to have a lower MR value.,CC(C)(C)C([NH3+])C(=O)NCCc1cccc(C#N)c1
QED,Modify the molecule Cc1ccc2c(cnn2CCC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)c1 to have a higher QED value.,Cc1ccc2c(cnn2CC2CCCC2c2nc3ccccc3[nH]2)c1
AtomNum,"There is a molecule with 18 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",O=C([O-])CCCCCCCNC(=O)c1ccc2c(c1)CCC(=O)N2
BondNum,"There is a molecule with 18 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",Cc1cc(C)c2c(c1)CN(C(=O)NC1CCOC(c3nccn3C)C1)CC2
FunctionalGroup,"There is a molecule with 1 hydroxyl group, and 1 sulfide group.",Cc1nc(CC2(O)CCc3ccccc3C2)sc1C
AddComponent,Modify the molecule CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)C2c2ccc(O)c(OC)c2)cc1OC by adding a benzene ring.,CCCOc1ccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)cc(-c4ccccc4)c3)C2c2ccc(O)c(OC)c2)cc1OC
SubComponent,Please substitute a CC(C)C1CCC(Cl)C(Cc2cc(Br)ccc2F)C1 in the molecule halo with a nitro.,CC(C)C1CCC(NO)C(Cc2cc(Br)ccc2F)C1
DelComponent,Modify the molecule COc1cc(C(O)C(CO)OS(C)(C)C)ccc1O by removing a benzene ring.,COOC(O)C(CO)OS(C)(C)C
LogP,Please modify the molecule CC(=O)C1=NN2c3cc(Cl)ccc3OCC2C1c1ccccc1 to decrease its LogP value.,CC(=O)C1=NN2c3ccccc3OCC2C1c1ccccc1
MR,Modify the molecule C#CCOCCCCOP(=O)(OCCC#N)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO to have a higher MR value.,C#CCOCCCC(N)OP(=O)(OCCC#N)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO
QED,Modify the molecule COC(=O)c1ccc(OP(=O)(OC)c2ccccc2)cc1 to decrease its QED value.,COC(=O)OP(=O)(OC)c1ccccc1
AtomNum,"Please generate a molecule composed of 26 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(c4nc5ccccc5o4)CC3)CC2)cc1
BondNum,"Please generate a molecule with 8 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",CC(C)(C)c1ncccc1C(=O)NCc1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amine groups, and 3 halo groups.",NC(=[NH2+])c1ccc2cc(COc3ccc4c(c3)CC(NC(=O)NCc3cccc(C(F)(F)F)c3)CC4)ccc2c1
AddComponent,Add a carboxyl to the molecule CCOc1ccc(C([NH2+]C)C(OCC)OCC)cc1.,CCOc1ccc(C([NH2+]CC(=O)O)C(OCC)OCC)cc1
SubComponent,Substitute a O=C(NCCc1ccc(Cl)cc1)N(S)c1noc2ccccc12 in the molecule halo with a hydroxyl.,O=C(NCCc1ccc(O)cc1)N(S)c1noc2ccccc12
DelComponent,Remove a amine from the molecule CCCC1(C)CCCN(c2ccc(S(=O)(=O)NC)cn2)C1.,CCCC1(C)CCCN(c2ccc(S(C)(=O)=O)cn2)C1
LogP,Please optimize the molecule N#CCC1(n2cc(-c3[nH]cnc4nccc3-4)cn2)CC([NH+]2CCC(Nc3cc(C[NH+]4CC(O)C4)cc(C(F)(F)F)n3)CC2)C1 to have a lower LogP value.,ONCC1(n2cc(-c3[nH]cnc4nccc3-4)cn2)CC([NH+]2CCC(Nc3cc(C[NH+]4CC(O)C4)cc(C(F)(F)F)n3)CC2)C1
MR,Please modify the molecule CCC1CC[NH+](CCC(C)(C#N)NC)CC1 to decrease its MR value.,CCC1CC[NH+](CCC(C)NC)CC1
QED,Modify the molecule COc1cccc(-c2ocnc2C(=O)Nc2cnn(Cc3ccc(C(C)=O)s3)n2)c1 to increase its QED value.,COc1cccc(-c2(-c3cnn(Cc4ccc(C(C)=O)s4)n3)ocn-2)c1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",CSc1ccc(Cl)c(C(=O)OC(C)C(=O)Nc2ccc3c(c2)OCCO3)c1
BondNum,"There is a molecule with 15 single bonds, 2 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",Cn1cnc2c(c1=O)CCN(C(=O)C1CCC(c3ccccc3)CC1)C2
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",CCN(CC)C(=O)CNS(=O)(=O)c1ccc(F)cc1C
AddComponent,Please add a benzene ring to the molecule O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.,O=C(Nc1ccc(N2C(c3ccccc3)CCS2(=O)=O)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
SubComponent,Please substitute a hydroxyl in the molecule CCCC1(C(=O)NC(C)c2cccc(O)c2)CC[NH2+]CC1 with a nitrile.,CCCC1(C(=O)NC(C)c2cccc(C#N)c2)CC[NH2+]CC1
DelComponent,Please remove a amide from the molecule COc1ccc(CCC(=O)N2CCC[NH+](Cc3ccccc3Br)CC2)cc1.,COc1ccc(CC2CC[NH+](Cc3ccccc3Br)CC2)cc1
LogP,Modify the molecule CC(C)(C)c1ccc(-c2ccc(-c3sc(C(C)(C)C)cc3Br)s2)s1 to have a lower LogP value.,CC(C)(C)c1ccc(-c2ccc(-c3sc(C(C)(C)C)cc3C#N)s2)s1
MR,Modify the molecule Cc1cc(C)c(CCON)cc1C to decrease its MR value.,Cc1cc(C)c(CCO)cc1C
QED,Modify the molecule COc1ccc(C(c2ccncc2C)[NH+]2CCCC2C(=O)[O-])c(OC)c1 to have a lower QED value.,COC(OC)(c1ccncc1C)[NH+]1CCCC1C(=O)[O-]
AtomNum,"The molecule consists of 25 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",C#Cc1cccc(NC(=O)c2cc(S(=O)(=O)N(CC=C)c3ccccc3OC)ccc2Cl)c1
BondNum,"The molecule has 13 single bonds, 2 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",CCc1cccc(C)c1Nc1nnc(SCC(=O)Nc2cccc(NC(C)=O)c2)s1
FunctionalGroup,"There is a molecule composed of 1 amide group, and 1 sulfide group.",[NH3+]CCC1CCCN1C(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1
AddComponent,Add a benzene ring to the molecule CC(C)[NH+]1CC(=O)NCCCCCOc2ccc(CCC(=O)N3CCN(S(C)(=O)=O)CC3)cc2C1.,CC(C)[NH+]1CC(=O)NCCCCCOc2c(cc(CCC(=O)N3CCN(S(C)(=O)=O)CC3)cc2-c2ccccc2)C1
SubComponent,Please substitute a CC(O)(CNS(=O)(=O)CC1(C#N)CCCC1)C1CCCCC1 in the molecule hydroxyl with a aldehyde.,CC(=O)C(C)(CNS(=O)(=O)CC1(C#N)CCCC1)C1CCCCC1
DelComponent,Modify the molecule hydroxyl by removing a Cc1nc(OCCC(C)(C)C)ncc1CO.,Cc1cnc(OCCC(C)(C)C)nc1C
LogP,Modify the molecule c1ccc(-c2nc3ccccn3c2P(c2ccccc2)c2ccccc2)cc1 to increase its LogP value.,c1ccc(-c2ccccc2-c2nc3ccccn3c2P(c2ccccc2)c2ccccc2)cc1
MR,Optimize the molecule CCc1cccc(CC)c1Nc1nc2c(C)cccc2s1 to have a lower MR value.,CCc1cccc(CC)c1-c1nc2c(C)cccc2s1
QED,Please modify the molecule CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3SC3CCCC3)CC2)cc1 to increase its QED value.,CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3SC3CCCC3)CC2O)cc1
AtomNum,"There is a molecule with 11 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",O=C(c1cnccn1)C1CN2CC[NH+]1CC2
BondNum,"Please generate a molecule composed of 13 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",O=C([O-])c1cccn2c(NC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)nc12
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 amide groups, and 1 halo group.",C=NN=CN([NH3+])c1ccc(Cl)cc1C=CC(=O)NCC(=O)Nc1ccc(N2CCOCC2)cc1
AddComponent,Add a amine to the molecule CC(C)=CC(=O)ONNC(=O)c1ccccc1Cl.,CC(=CC(=O)ONNC(=O)c1ccccc1Cl)CN
SubComponent,Substitute a hydroxyl in the molecule CCCc1cccc(C(C)(CC)c2ccccc2O)c1CCC with a aldehyde.,CC(=O)c1ccccc1C(C)(CC)c1cccc(CCC)c1CCC
DelComponent,Please remove a benzene ring from the molecule C[NH+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)Cc1ccccc1)CC2.,C[NH+]1CCn2c(F)cnc2C12CCN(C(=O)Cc1ccccc1)CC2
LogP,Modify the molecule Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(C(=O)NCCC(=O)Nc4ccc(Br)c(Cl)c4)CC3)c2)c(F)c1 to have a higher LogP value.,Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(CCC(=O)Nc4ccc(Br)c(Cl)c4)C3)c2)c(F)c1
MR,Modify the molecule N#Cc1cc(Cl)nc(N(CCO)CC(F)F)c1 to have a higher MR value.,N#Cc1cc(Cl)nc(N(CC(F)F)C(CO)c2ccccc2)c1
QED,Modify the molecule CC1=Nc2cc(Br)ccc2C1(C)C to have a lower QED value.,CC1=Nc2cc(C#N)ccc2C1(C)C
AtomNum,"The molecule consists of 18 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1ccccc1C1CCN(C(=O)c2ccc(=O)oc2)CCS1
BondNum,"There is a molecule with 7 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",Nc1cnc(NC(=O)c2cc(Br)ccc2Cl)c(Br)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 1 halo group, 1 thioether group, 1 nitrile group, and 1 sulfide group.",CC(Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1cc(C(=O)[O-])ccc1Cl
AddComponent,Modify the molecule O=C(Nc1cc2c3ccccc3ccc2c2ccccc12)C(F)(F)F by adding a amine.,Nc1cccc2c(NC(=O)C(F)(F)F)cc3c4ccccc4ccc3c12
SubComponent,Please substitute a COC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1Br in the molecule halo with a carboxyl.,COC(=O)c1ccccc1NC(=O)COc1ccc(C(=O)[OH])cc1Br
DelComponent,Modify the molecule benzene ring by removing a COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)cn2)c1.,COc1cccc(Oc2ncc(C(=O)Nc3ccc(C(C)C)cc3)cn2)c1
LogP,Modify the molecule CCC[NH2+]Cc1c(F)cccc1Oc1cc(F)cc(F)c1 to decrease its LogP value.,OCCC[NH2+]Cc1c(F)cccc1Oc1cc(F)cc(F)c1
MR,Please modify the molecule Fc1cc2c(cc1Br)NCC2 to increase its MR value.,Oc1cc2c(cc1Br)NCC2
QED,Modify the molecule CCOc1ccc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)o1 to have a higher QED value.,CCOc1ccc(C(=O)N2Cc3cnc(C(O)C(C)C)nc3C2)o1
AtomNum,"There is a molecule composed of 21 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCC(C)NC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12
BondNum,"The molecule is composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",CC(c1ccco1)N(C)C(=O)c1ccc(-n2cccn2)cc1
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,C[n+]1ccc(C(=O)N2CCc3ccccc32)cc1
AddComponent,Modify the molecule CC1(O)CCCC1C(C)(C)C(=O)[O-] by adding a nitrile.,CC(C)(C(=O)[O-])C1CCC(C#N)C1(C)O
SubComponent,Substitute a halo in the molecule CCN(CCOC)C(=O)c1cccc(C)c1F with a hydroxyl.,CCN(CCOC)C(=O)c1cccc(C)c1O
DelComponent,Remove a amine from the molecule CC1CN(c2snc(N)c2C(N)=O)CC(C)(C)O1.,CC1CN(c2sncc2C(N)=O)CC(C)(C)O1
LogP,Please modify the molecule CCS(=O)(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1 to decrease its LogP value.,CCS(=O)(=O)Nc1nc(NC(C)(C)C)ncc1C
MR,Modify the molecule Cc1cccc(COc2ccc(Cl)cc2C[NH2+]CCc2ccccc2)c1 to have a higher MR value.,Cc1cccc(COc2ccc(Cl)cc2C[NH2+]CCc2cccc(O)c2)c1
QED,Modify the molecule CCc1cc(O)cc2c1OCCC2[NH3+] to decrease its QED value.,CCc1cc(S)cc2c1OCCC2[NH3+]
AtomNum,"There is a molecule with 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",COCCOc1ccc(F)cc1NC1CCSCC1
BondNum,"The molecule has 14 single bonds, 3 double bonds, 1 rotatable bond, and 6 aromatic bonds.",O=C([O-])c1cn2c(c([O-])c1=O)C(=O)N1CC[NH2+]CC1C2O
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 1 halo group.",CC1(C(=O)N2CCOCC2)COC(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)o2)OC1
AddComponent,Add a benzene ring to the molecule COc1cccc2c1C(=O)CCC2OC.,COc1cccc2c1C(=O)C(c1ccccc1)CC2OC
SubComponent,Substitute a hydroxyl in the molecule CC(O)=CC(=O)OCC(C)C with a carboxyl.,CC(=CC(=O)OCC(C)C)C(=O)[OH]
DelComponent,Please remove a O=C(OCC1C2CCC1C[NH+](Cc1ccccc1)C2)N(Cc1ccc(O)cc1)c1cccc(F)c1 from the molecule hydroxyl.,O=C(OCC1C2CCC1C[NH+](Cc1ccccc1)C2)N(Cc1ccccc1)c1cccc(F)c1
LogP,Modify the molecule Nc1nc(=O)c2ncc(Br)cc2[nH]1 to decrease its LogP value.,Nc1nc(=O)c2ncc(S)cc2[nH]1
MR,Please modify the molecule CC(O)C1CC[NH+](Cc2c(N)cccc2F)CC1 to increase its MR value.,CC(O)C1CC[NH+](Cc2c(N)cccc2C(=O)[OH])CC1
QED,Please optimize the molecule CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C to have a lower QED value.,CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C#N)COP(=O)([O-])OCC(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C
AtomNum,"The molecule has 22 carbon atoms, 4 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",CCCS(=O)(=O)N1CCC(NC(=O)c2c[nH+]c3c(cnn3CC)c2NC2CCOCC2)CC1
BondNum,"Please generate a molecule composed of 8 single bonds, 2 double bonds, 5 rotatable bonds, and 15 aromatic bonds.",COC(=O)Cc1csc(NN=Cc2c(C)[nH]c3ccccc23)n1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 ester group, and 1 amine group.",COC(=O)c1cccc(Oc2ccc(NC3N([NH3+])C(=O)N(C)C(=O)N3CC3C=CC(C)=CC3)cc2)c1
AddComponent,Please add a benzene ring to the molecule C=C(c1ccccc1)c1[nH]c(-c2ccc(O)cc2)cn2c(=O)c(Cc3ccc(O)cc3)nc1-2.,C=C(c1ccccc1)c1[nH]c(-c2ccc(O)cc2)cn2c(=O)c(Cc3ccc(O)c(-c4ccccc4)c3)nc1-2
SubComponent,Substitute a halo in the molecule CC(c1cccc(Cl)c1)N(C)C1(C[NH3+])CN2CCC1CC2 with a thiol.,CC(c1cccc(S)c1)N(C)C1(C[NH3+])CN2CCC1CC2
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(C)cc1CC(O)C[NH2+]CC(C)C.,COCCC(O)C[NH2+]CC(C)C
LogP,Modify the molecule CC1CCCC(C)N1C(=O)C1CCCCS1(=O)=O to increase its LogP value.,CC1CCCC2(C)C1CCCS2(=O)=O
MR,Optimize the molecule CCOC(=O)C=Cc1cc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)c(Cc3ccccc3)s2)ccc1OCC to have a higher MR value.,CCOC(=O)C=Cc1cc(C(=O)CCC(=O)Nc2nc(-c3cccc(O)c3)c(Cc3ccccc3)s2)ccc1OCC
QED,Modify the molecule Cc1nn(CC#N)c2c1C[NH+](C)CC2 to have a higher QED value.,Cc1nn(CC#N)c2c1C[NH+](Cc1ccccc1)CC2
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Cc1cccc(N2CC(C)C[NH+](C)C(CO)C2)c1
BondNum,"Please generate a molecule with 11 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",CC(C)(C)c1ccc(C(=O)Nc2cn3nc(NC=CNI)ccc3[nH+]2)cc1
FunctionalGroup,The molecule has and 2 amine groups.,Cc1cc(NC(C)C2CCOC2)nc(N)n1
AddComponent,Please add a benzene ring to the molecule CCC(C)(C)C[NH2+]C(C)c1cncc(F)c1.,CC([NH2+]CC(C)(C)C(C)c1ccccc1)c1cncc(F)c1
SubComponent,Modify the molecule CCC(Nc1ccc(C#N)cc1C(F)(F)F)C(C)C by substituting a halo with a nitro.,CCC(Nc1ccc(C#N)cc1C(F)(F)NO)C(C)C
DelComponent,Modify the molecule amide by removing a CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2Cl)c1.,CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccccc2Cl)c1
LogP,Modify the molecule Nc1cc(S(=O)(=O)Cl)cc(OC(F)(F)F)c1Cl to decrease its LogP value.,Nc1cc(S(=O)(=O)NO)cc(OC(F)(F)F)c1Cl
MR,Please modify the molecule O=C1CC(c2noc(-c3ccncc3)n2)CN1Cc1ccc2c(c1)OCO2 to increase its MR value.,O=C1CC(c2noc(-c3ccnc(O)c3)n2)CN1Cc1ccc2c(c1)OCO2
QED,Please optimize the molecule NC(CCNC(=O)c1ccc(Br)cc1Cl)=[NH+]O to have a lower QED value.,N#Cc1ccc(C(=O)NCCC(N)=[NH+]O)c(Cl)c1
AtomNum,"The molecule consists of 23 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COc1ccccc1C(=O)NCC1Cc2cc(Oc3ccccc3)ccc2O1
BondNum,"The molecule contains 8 single bonds, 5 rotatable bonds, and 17 aromatic bonds.",FC(F)Oc1ncc(Cn2ccnc2)cc1-c1cccc(Cl)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 nitrile group.",COc1cccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)c1OCc1cccc2ccccc12
AddComponent,Add a hydroxyl to the molecule CC(C)(C)c1ccc2cc(OP(O)OC3(c4cc5c(C(C)(C)C)cc(C(C)(C)C)cc5cc4C(C)(C)C)CCCCC3)c(C(C)(C)C)cc2c1.,CC(C)(C)c1ccc2cc(OP(O)OC3(c4cc5c(C(C)(C)C)cc(C(C)(C)CO)cc5cc4C(C)(C)C)CCCCC3)c(C(C)(C)C)cc2c1
SubComponent,Substitute a halo in the molecule CC1(Nc2ncc3nc(NC4CCCC(Cl)C4)n(C4CCC(C[NH3+])CC4)c3n2)CCOCC1 with a nitro.,CC1(Nc2ncc3nc(NC4CCCC(NO)C4)n(C4CCC(C[NH3+])CC4)c3n2)CCOCC1
DelComponent,Please remove a amine from the molecule CCCCNc1nc(NCCC)nc2sccc12.,CCCCNc1nc(CCC)nc2sccc12
LogP,Please modify the molecule Cc1cc(C(=O)c2cc(N)cc(Cl)c2)c(C)cc1Cl to decrease its LogP value.,Cc1cc(C(=O)c2cc(N)cc(C(=O)[OH])c2)c(C)cc1Cl
MR,Optimize the molecule CC(C)N(C)C(=O)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1 to have a higher MR value.,CC(C)N(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
QED,Please modify the molecule C=CCCOc1cc(C[NH2+]CCC)c(Cl)cn1 to decrease its QED value.,C=CCCOc1cc(C[NH2+]CCC)ccn1
AtomNum,"The molecule is composed of 11 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",O=Cc1cc(Cl)ccc1Cc1nccs1
BondNum,"The molecule is composed of 17 single bonds, 1 double bond, and 4 rotatable bonds.",CC(C[NH2+]C1CC1)N1CC=C(C(C)(C)C)CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 2 halo groups.",CC(C)(C)C1CCC(C(O)c2cc(F)ccc2F)CC1
AddComponent,Modify the molecule CCc1cc2c(NN=Cc3ccc(N(C)C)cc3)ncnc2s1 by adding a carboxyl.,CN(C)c1ccc(C=NNc2ncnc3sc(CCC(=O)O)cc23)cc1
SubComponent,Modify the molecule halo by substituting a O=C(CCCc1nc(=O)c2ccccc2[nH]1)OCc1ccc(OC(F)(F)F)cc1 with a hydroxyl.,O=C(CCCc1nc(=O)c2ccccc2[nH]1)OCc1ccc(OC(O)(F)F)cc1
DelComponent,Remove a amine from the molecule COc1cccc(N)c1C(=O)NCCC1CCCCO1.,COc1ccccc1C(=O)NCCC1CCCCO1
LogP,Please optimize the molecule COc1cccc(C=C2Oc3cc(OCC(=O)OC(C)(C)C)cc(C)c3C2=O)c1OC to have a lower LogP value.,COc1cccc(C=C2Oc3cc(OCC(=O)OC(C)(C)CN)cc(C)c3C2=O)c1OC
MR,Modify the molecule Cc1c(Cl)cccc1NC(=O)CC([NH2+]CCCOC(C)C)C(=O)[O-] to have a lower MR value.,Cc1ccccc1NC(=O)CC([NH2+]CCCOC(C)C)C(=O)[O-]
QED,Optimize the molecule COc1cccc(Nc2nnc(Cc3ccncc3)c3ccc(NC(C)=O)cc23)c1 to have a higher QED value.,COc1cccc(-c2nnc(Cc3ccncc3)c3ccc(NC(C)=O)cc23)c1
AtomNum,"The molecule contains 30 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",[C-]#[N+]C(CS(=O)(=O)c1ccc(C)cc1)C1=CCC2C3CC=C4C=C(OC)CCC4(C)C3=CCC12C
BondNum,"Please generate a molecule composed of 20 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)c3ccc4c(c3)OCO4)CC2)cc1
FunctionalGroup,"The molecule has 1 amide group, and 1 halo group.",NC(=O)c1ncc(Br)cc1N1CCCC(n2cncn2)C1
AddComponent,Please add a benzene ring to the molecule CC1CN(C(=O)NC2CCCN(c3nccn(C)c3=O)C2)CC(C)(C)C1.,CC1CN(C(=O)NC2CCCN(c3nccn(C)c3=O)C2)CC(C)(Cc2ccccc2)C1
SubComponent,Please substitute a halo in the molecule CCCNc1nc(N2CC(=O)NC(=O)C2C)c(Cl)cc1Cl with a nitrile.,CCCNc1nc(N2CC(=O)NC(=O)C2C)c(C#N)cc1Cl
DelComponent,Remove a OC(C[NH2+]Cc1ccccn1)COc1ccc2ccccc2c1 from the molecule hydroxyl.,c1ccc(C[NH2+]CCCOc2ccc3ccccc3c2)nc1
LogP,Please modify the molecule CCC[NH+](CCO)Cc1cccc(-c2nc(CCl)cs2)c1 to decrease its LogP value.,CCC[NH+](CCO)Cc1nc(CCl)cs1
MR,Please modify the molecule CSCC(C)Cn1cncc1C([NH3+])CO to increase its MR value.,CSCC(C)Cn1c(C([NH3+])CO)cnc1O
QED,Please optimize the molecule Cc1[nH]c(-c2cccc(Br)c2)cc1C#N to have a lower QED value.,Cc1ccc(-c2cccc(Br)c2)[nH]1
AtomNum,"There is a molecule with 15 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CCNC(=O)n1ccc2cnc(-c3cccnc3)cc21
BondNum,"There is a molecule consisting of 8 single bonds, 5 rotatable bonds, and 10 aromatic bonds.",CCOC(C)CNc1nc(Cl)nc2sccc12
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 2 ester groups, 1 amide group, 1 thioether group, and 1 sulfide group.",COC(=O)c1cc(NC(=O)Nc2ccc3c(c2)N(Cc2ccc(C)cc2)C(=O)CS3)cc(C(=O)OC)c1
AddComponent,Modify the molecule C[NH+]1CCc2cc(-c3ccc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3OC(F)F)sc2C1 by adding a hydroxyl.,C[NH+]1Cc2sc(-c3ccc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3OC(F)F)cc2CC1O
SubComponent,Substitute a halo in the molecule C=C(C=c1c(-c2cc3c(-c4ccccc4F)cccc3[nH]2)n[nH]c1=CC)c1cn[nH]c1 with a thiol.,C=C(C=c1c(-c2cc3c(-c4ccccc4S)cccc3[nH]2)n[nH]c1=CC)c1cn[nH]c1
DelComponent,Remove a CC([NH3+])C(C)Nc1cc(Cl)cnc1Br from the molecule halo.,CC([NH3+])C(C)Nc1cccnc1Br
LogP,Please optimize the molecule COC1CC(C(N)=O)N(C(=O)NC2CCOC3(CCC3)C2)C1 to have a higher LogP value.,COC1CC(C(N)=O)N(C(=O)NC2CC(c3ccccc3)OC3(CCC3)C2)C1
MR,Modify the molecule COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 to have a higher MR value.,COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1O
QED,Modify the molecule Cc1ccc(C)c(NC(=O)c2cc(Br)cc(N)c2C)c1 to have a lower QED value.,Cc1ccc(C)c(NC(=O)c2cc(C(=O)[OH])cc(N)c2C)c1
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cc1[nH]ncc1C(=O)N(C)Cc1cccc(C(N)=[NH+]O)c1
BondNum,"There is a molecule consisting of 8 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCN(CC)c1ccc2c(COC=O)cc(=O)oc2c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ketone group, and 1 halo group.",CCC1CCC[NH+]1CC(=O)c1ccc(OC)c(Cl)c1
AddComponent,Add a amine to the molecule COc1ccc(NCC(C)=CCCC(C)=CCO)cc1.,COc1ccc(NCC(C)=CC(N)CC(C)=CCO)cc1
SubComponent,Substitute a halo in the molecule O=C([O-])c1cccc([N+](=O)[O-])c1OCCCC(F)(F)F with a nitrile.,N#CC(F)(F)CCCOc1c(C(=O)[O-])cccc1[N+](=O)[O-]
DelComponent,Modify the molecule halo by removing a COc1cc(NC2CCN(c3ccc(C4CNNC4)c(C(F)F)c3)C2=O)ccc1F.,COc1cccc(NC2CCN(c3ccc(C4CNNC4)c(C(F)F)c3)C2=O)c1
LogP,Modify the molecule CCc1ccc(CC(C)=O)c(O)c1 to have a lower LogP value.,CCc1ccc(CC(C)=O)c(C(=O)[OH])c1
MR,Please optimize the molecule Cc1cc(Br)c(O)c(C=Nc2ccc3c(c2)Cc2ccccc2-3)c1 to have a lower MR value.,Cc1cc(Br)cc(C=Nc2ccc3c(c2)Cc2ccccc2-3)c1
QED,Please optimize the molecule COC(=O)CCc1c(-c2ccc(C)cc2F)cc(Cl)nc1Cl to have a higher QED value.,COC(=O)CCc1cnc(Cl)cc1-c1ccc(C)cc1F
AtomNum,"Please generate a molecule consisting 17 carbon atoms, and 3 oxygen atoms.",COc1ccc(CC(=O)c2ccc(C)cc2)cc1OC
BondNum,"The molecule has 17 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",CC1=Cc2c(c3ccccnc-3c2N2CC[NH2+]C(CCc3ccc(Cl)cc3)C2)NS1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",Cc1cc(C)nc(NC(=O)c2cccc(C[NH+](C)C(C)c3ccncn3)c2)c1
AddComponent,Please add a amine to the molecule CNc1cc(-c2cccnc2)nc(C2CC2)n1.,CNc1cc(-c2cccnc2)nc(C2CC2N)n1
SubComponent,Modify the molecule halo by substituting a Cc1nc(S(=O)(=O)NCCC2CCOC(C)C2)sc1Br with a nitrile.,Cc1nc(S(=O)(=O)NCCC2CCOC(C)C2)sc1C#N
DelComponent,Please remove a CNC(=O)c1cc(Oc2ccc3nc(Nc4cc(-c5ccccc5)ccc4C)ncc3c2)ccn1 from the molecule amine.,CNC(=O)c1cc(Oc2ccc3nc(-c4cc(-c5ccccc5)ccc4C)ncc3c2)ccn1
LogP,Please modify the molecule CN(CCO)c1ccc(NC(=O)C=Cc2cccnc2)cc1 to increase its LogP value.,CN(CCC#N)c1ccc(NC(=O)C=Cc2cccnc2)cc1
MR,Modify the molecule CC(C)(CC(=O)CC[N+](C)(C)C)NCl to decrease its MR value.,CC(C)(Cl)CC(=O)CC[N+](C)(C)C
QED,Optimize the molecule [NH3+]CC1C[NH+](Cc2ccc(Cl)s2)C1 to have a lower QED value.,[NH3+]CC1C[NH+](Cc2cccs2)C1
AtomNum,"The molecule contains 17 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",Cc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1Cl
BondNum,"The molecule consists of 9 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",CCC(C)Cc1[nH]nc(N)c1-c1c(Cl)cccc1Cl
FunctionalGroup,"The molecule has 1 amide group, and 1 nitrile group.",C[NH+](CCC[NH3+])CC(=O)NCC#N
AddComponent,Modify the molecule COC1CC(n2c(CCl)nc3cc(F)c(Br)cc32)C1(C)C by adding a benzene ring.,COC1CC(n2c(CCl)nc3c(-c4ccccc4)c(F)c(Br)cc32)C1(C)C
SubComponent,Modify the molecule CCC(CCO)NC(=O)COc1ccc(Cl)cc1 by substituting a hydroxyl with a aldehyde.,CC(=O)CCC(CC)NC(=O)COc1ccc(Cl)cc1
DelComponent,Remove a COc1cccc(C(=O)Nc2nn[n-]n2)c1O from the molecule hydroxyl.,COc1cccc(C(=O)Nc2nn[n-]n2)c1
LogP,Modify the molecule Cc1cc(C)c(S(=O)(=O)NC(C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 to have a lower LogP value.,Cc1cc(C)c(S(=O)(=O)NC(C)C(=O)NOCc2ccccc2)c(C)c1
MR,Modify the molecule Cc1cc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2[nH]1 to increase its MR value.,Cc1cc2cc(Oc3ccc(C(O)(F)F)cn3)ccc2[nH]1
QED,Optimize the molecule Cn1nc(-c2cccc(Cl)c2Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1 to have a higher QED value.,Cn1nc(-c2cccc(NO)c2Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1
AtomNum,"The molecule consists of 17 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COc1ccc2nc(-c3ccc(CC(C)=O)cc3)sc2c1
BondNum,"Please generate a molecule with 12 single bonds, 3 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CCCNC(=O)c1cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2oc1=O
FunctionalGroup,"There is a molecule consisting of 1 amide group, 1 thioether group, and 2 sulfide groups.",O=C(CSc1nncs1)N1CCC2(CCOC2)C1
AddComponent,Add a amine to the molecule COC(=O)C(CSCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)c1ccc(C(=O)c2ccccc2)cc1.,COC(=O)C(CSCC=C(C)CCC=C(C)C(N)CC=C(C)C)NC(=O)c1ccc(C(=O)c2ccccc2)cc1
SubComponent,Substitute a halo in the molecule Cc1nc2cc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)ccc2n1-c1ccccc1 with a nitrile.,Cc1nc2cc(NC(=O)CCS(=O)(=O)c3ccc(C#N)cc3)ccc2n1-c1ccccc1
DelComponent,Please remove a CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1CCC([NH3+])C1 from the molecule amide.,CC1C([NH3+])CCC1C(O)COc1ccc(C(F)(F)F)cc1
LogP,Please modify the molecule Cc1ccc(S(=O)(=O)N(CC[NH+]2CCOCC2)C2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 to decrease its LogP value.,Cc1ccc(S(=O)(=O)N(CC[NH+]2CCOCC2)C2CC(=O)N(c3ccccc3)C2=O)cc1
MR,Modify the molecule Cc1cc2ccc(OC3(C(=O)[O-])CC(O)C([NH3+])C(C(O)C(O)CO)O3)cc2oc1=O to have a higher MR value.,Cc1cc2c(C(=O)O)cc(OC3(C(=O)[O-])CC(O)C([NH3+])C(C(O)C(O)CO)O3)cc2oc1=O
QED,Please optimize the molecule CCC(C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 to have a lower QED value.,CCC(C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cccc(N)c1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 2 oxygen atoms, 1 chlorine atom, and 1 bromine atom.",CC(c1ccccc1)C(Br)c1cc2c(cc1Cl)OCCO2
BondNum,"The molecule consists of 13 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(C)cc1Br
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 2 amide groups, and 1 amine group.",COc1ccc(Nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)nn2)cc1
AddComponent,Please add a hydroxyl to the molecule CC(C)(C)OC(=O)NCCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1.,CC(C)(CO)OC(=O)NCCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
SubComponent,Please substitute a halo in the molecule NC(=[NH2+])c1ccc(-n2nnc3ccccc32)c(F)c1Br with a aldehyde.,CC(=O)c1c(-n2nnc3ccccc32)ccc(C(N)=[NH2+])c1Br
DelComponent,Remove a hydroxyl from the molecule CC(C)(C)c1ccc(C(CO)Cc2ccncc2)cc1.,CC(Cc1ccncc1)c1ccc(C(C)(C)C)cc1
LogP,Please optimize the molecule CC(=O)Nc1cc(Nc2cc(C)nc(Nc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3C)n2)[nH]n1 to have a lower LogP value.,CC(=O)Nc1cc(Nc2cc(C)nc(Nc3ccc(NC(=O)Nc4cc(C(F)(F)F)c(Cl)cc4N)cc3C)n2)[nH]n1
MR,Modify the molecule CSCCOC(=O)C(C)(C)Oc1ccc(F)cc1 to decrease its MR value.,CSCCOC(=O)C(C)(C)OF
QED,Please optimize the molecule Nc1ccc(S(=O)Cc2ccc(Cl)cc2Cl)cc1F to have a higher QED value.,Nc1ccc(S(=O)Cc2ccccc2Cl)cc1F
AtomNum,"The molecule consists of 27 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",COCCC(=O)N1CCN(c2nc(C3CC3)c(-c3cccc(COC)c3)c(C)c2C#N)CC1C
BondNum,"The molecule is composed of 12 single bonds, 7 rotatable bonds, and 10 aromatic bonds.",FC(F)COCc1c(C[NH2+]C2CC2)sc2ccccc12
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 ester group, 1 amide group, and 1 halo group.",CCCOC(=O)c1cc(NC(=O)c2ccc(OCC)c(Br)c2)ccc1N1CCOCC1
AddComponent,Please add a benzene ring to the molecule COC(CN(CC(=O)OC(C)(C)C)C(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)OC.,COC(CN(CC(=O)OC(C)(C)C)C(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1-c1ccccc1)OC
SubComponent,Substitute a CN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(Cl)s1 in the molecule halo with a thiol.,CN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(S)s1
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(C([NH3+])Cc2nccs2)cc1C.,CC(C)([NH3+])Cc1nccs1
LogP,Modify the molecule CCCCCCCOCc1ccc(C(=O)Oc2cc3c4cc(OC(=O)c5ccc(COCCCCCCC)cc5)c(OC(=O)c5ccc(COCCCCCCC)cc5)cc4c4cc(OC(=O)c5ccc(COCCCCCCC)cc5)c(OC(=O)c5ccc(COCCCCCCC)cc5)cc4c3cc2OC(=O)c2ccc(COCCCCCCC)cc2)cc1 to have a lower LogP value.,CCCCCCCOCC(=O)Oc1cc2c(cc1OC(=O)c1ccc(COCCCCCCC)cc1)c1cc(OC(=O)c3ccc(COCCCCCCC)cc3)c(OC(=O)c3ccc(COCCCCCCC)cc3)cc1c1cc(OC(=O)c3ccc(COCCCCCCC)cc3)c(OC(=O)c3ccc(COCCCCCCC)cc3)cc21
MR,Please modify the molecule CC(OC(=O)c1c(F)cccc1F)C(=O)Nc1sccc1C#N to increase its MR value.,CC(OC(=O)c1ccccc1F)C(=O)Nc1sccc1C#N
QED,Modify the molecule CCOCCCNC(=S)NCc1ccccc1OC to decrease its QED value.,CCOCCCNC(=S)NCOC
AtomNum,"Please generate a molecule consisting 9 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",C=C1NC=C(C)C=C1C(=O)NC
BondNum,"There is a molecule consisting of 6 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(NC(C)c2ccccn2)c(F)c1
FunctionalGroup,The molecule is composed of and 3 amide groups.,O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc2c(c1)OCCCO2
AddComponent,Add a hydroxyl to the molecule CCCOc1ccc(CNC(Nc2ccc(OCC)c(OC)c2)=[NH+]C)cc1OC.,CCCOc1ccc(CNC(Nc2ccc(OCCO)c(OC)c2)=[NH+]C)cc1OC
SubComponent,Modify the molecule halo by substituting a CCNC(NC1COc2ccc(F)cc21)=[NH+]CC with a carboxyl.,CCNC(NC1COc2ccc(C(=O)[OH])cc21)=[NH+]CC
DelComponent,Modify the molecule amine by removing a CCCNC(CCC)CS(=O)(=O)CC1(CC(=O)OC)CC1.,CCCC(CCC)CS(=O)(=O)CC1(CC(=O)OC)CC1
LogP,Please optimize the molecule Cc1ccc(NC(=O)Cn2cnc(CN3CCn4ncc5ncnc3c54)c2)cc1C to have a lower LogP value.,CCNC(=O)Cn1cnc(CN2CCn3ncc4ncnc2c43)c1
MR,Please modify the molecule Nc1ccc(F)cc1NC1CC1c1ccccc1 to increase its MR value.,Nc1ccccc1NC1CC1c1ccccc1
QED,Please modify the molecule Cc1nnc(Cl)cc1-c1cccc(F)c1 to decrease its QED value.,Cc1nnc(Cl)cc1F
AtomNum,"There is a molecule consisting of 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCS(=O)(=O)CCC1[NH2+]Cc2ccccc21
BondNum,"The molecule is composed of 12 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CCC1(CC)CN(C(=O)c2ccnnc2)CCS1=O
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 nitrile group.",CC(C)(CCc1cccc(C#N)c1)N=C=O
AddComponent,Please add a hydroxyl to the molecule O=C([O-])CCC1CNC(=O)CN1c1ccccc1Br.,O=C1CN(c2ccccc2Br)C(CC(O)C(=O)[O-])CN1
SubComponent,Modify the molecule hydroxyl by substituting a CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C([NH3+])CO)C(=O)NC(Cc1ccccc1)C(=O)[O-] with a nitrile.,CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C([NH3+])CC#N)C(=O)NC(Cc1ccccc1)C(=O)[O-]
DelComponent,Remove a amine from the molecule COC(=O)c1ccccc1CCN(CC1CCC2=C1C(C)C1=CNN(c3ccc(F)cc3)C1=C2)S(=O)(=O)CC(F)(F)F.,COC(=O)c1ccccc1CCN(CC1CCC2=C1C(C)C1=CN(c3ccc(F)cc3)C1=C2)S(=O)(=O)CC(F)(F)F
LogP,Optimize the molecule CC1(C)OC(=C2C(=O)Nc3cc(F)ccc32)CC1c1ccc2cn[nH]c2c1 to have a lower LogP value.,CC1(C)OC(=C2C(=O)Nc3cc(O)ccc32)CC1c1ccc2cn[nH]c2c1
MR,Modify the molecule N#CC(Cl)COc1ccc(C(F)(F)F)cc1 to increase its MR value.,O=C([OH])C(Cl)COc1ccc(C(F)(F)F)cc1
QED,Please modify the molecule CC(=O)CNc1ncc(-c2ccc3ncoc3c2)cn1 to decrease its QED value.,CC(=O)Cc1ncc(-c2ccc3ncoc3c2)cn1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 fluorine atoms.",CCC(CC)CNc1ccccc1OC(F)F
BondNum,"The molecule is composed of 16 single bonds, 4 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)C(C(=O)OC)=C2C)cc1
FunctionalGroup,Please generate a molecule consisting and 1 ester group.,CC[NH+]1CCCC(c2cn3c(C(=O)OC)cccc3[nH+]2)C1
AddComponent,Add a amine to the molecule CC(C)[NH+]1CCCC(CNC(=O)CNC(=O)c2ccsc2)C1.,CC(C)[NH+]1CCCC(N)(CNC(=O)CNC(=O)c2ccsc2)C1
SubComponent,Please substitute a Cc1cc(Oc2nccc(C)c2C(=O)[O-])cc(C)c1Br in the molecule halo with a hydroxyl.,Cc1cc(Oc2nccc(C)c2C(=O)[O-])cc(C)c1O
DelComponent,Modify the molecule CC(C)c1oncc1C[NH+]1CC(O)C1 by removing a hydroxyl.,CC(C)c1oncc1C[NH+]1CCC1
LogP,Please optimize the molecule COCCNC(=O)NCC(=O)Nc1cc(C)on1 to have a higher LogP value.,COCCNC(=O)Nc1cc(C)on1
MR,Please modify the molecule CNc1ncc(C)c(NC(C)CCOC)n1 to decrease its MR value.,CNc1ncc(C)c(C(C)CCOC)n1
QED,Modify the molecule CC(=NNc1nnc(SCc2ccccc2)s1)C(=O)[O-] to have a lower QED value.,O=C([O-])C(Cc1ccccc1)=NNc1nnc(SCc2ccccc2)s1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
BondNum,"The molecule has 8 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC(Cc1ccc(Br)cc1)Nc1ccc(F)cc1Cl
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 2 amide groups, 1 nitro group, and 1 halo group.",COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1
AddComponent,Add a benzene ring to the molecule C[NH+](C)C1CCc2ccccc2C(Oc2ccc(Cl)cc2)C1.,C[NH+](Cc1ccccc1)C1CCc2ccccc2C(Oc2ccc(Cl)cc2)C1
SubComponent,Please substitute a CC1CCCN(C(=O)c2ccc(Cl)c(NC(=O)C(C)[NH+]3CCC(C(=O)NCC(=O)Nc4ccc(C(=O)N(C)C)c(Cl)c4)CC3)c2)C1 in the molecule halo with a nitrile.,CC1CCCN(C(=O)c2ccc(C#N)c(NC(=O)C(C)[NH+]3CCC(C(=O)NCC(=O)Nc4ccc(C(=O)N(C)C)c(Cl)c4)CC3)c2)C1
DelComponent,Please remove a halo from the molecule Cn1nc(C(F)(F)F)c(Br)c1C(=O)OCc1ccc(Br)cc1.,Cn1nc(C(F)F)c(Br)c1C(=O)OCc1ccc(Br)cc1
LogP,Optimize the molecule CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(=O)n(NCc2c(C)noc2C)c1=O to have a higher LogP value.,CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(=O)n(Cc2c(C)noc2C)c1=O
MR,Optimize the molecule COc1ccc(Br)cc1C(=O)c1cc(C)ccc1F to have a lower MR value.,COc1ccc(NO)cc1C(=O)c1cc(C)ccc1F
QED,Modify the molecule O=C(Cl)C(F)c1cccc(Br)c1 to decrease its QED value.,O=C(Cl)C(F)Br
AtomNum,"The molecule consists of 12 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)(C)n1ccnc1C(=O)NC1CCS(=O)(=O)C1
BondNum,"There is a molecule composed of 8 single bonds, 1 double bond, 2 rotatable bonds, and 22 aromatic bonds.",FC(F)(F)C(=Nc1ccc(Cl)cc1)n1c(-c2ccccc2)cc2ccccc21
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, and 1 nitrile group.",Cc1ccc2nc(N)c(-c3ccc(C[NH+]4CCOCC4)cc3)c(C#N)c2c1
AddComponent,Please add a hydroxyl to the molecule Cc1csc(CNCC[NH2+]C(C)(C)C)c1Cl.,Cc1csc(C(O)NCC[NH2+]C(C)(C)C)c1Cl
SubComponent,Substitute a halo in the molecule CCc1nc2c(OCC(F)(F)F)cccc2c(Cl)c1C with a nitrile.,CCc1nc2c(OCC(F)(F)C#N)cccc2c(Cl)c1C
DelComponent,Please remove a CC(C)(C)[Si](C)(C)OCCCCCCCCCC[NH2+]C1C2CCC1C(O)C2 from the molecule hydroxyl.,CC(C)(C)[Si](C)(C)OCCCCCCCCCC[NH2+]C1C2CCC1CC2
LogP,Please modify the molecule Fc1ccc2[nH]cc(CCC[NH+]3CCC(c4cc5c(F)cccc5[nH]4)CC3)c2c1 to decrease its LogP value.,N#Cc1ccc2[nH]cc(CCC[NH+]3CCC(c4cc5c(F)cccc5[nH]4)CC3)c2c1
MR,Please modify the molecule CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1[nH]c(F)cc2ncnc1-2 to increase its MR value.,CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1[nH]c(NO)cc2ncnc1-2
QED,Please modify the molecule Cn1cc(Cl)cc1C(=O)Nc1ccc(C#CCCO)cc1 to decrease its QED value.,Cn1cc(NO)cc1C(=O)Nc1ccc(C#CCCO)cc1
AtomNum,"There is a molecule composed of 12 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCCNC(=S)N(C)C(C)C(C)(C)C
BondNum,"There is a molecule with 19 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1ccc(NC(N)=[NH+]CC2CCCCN2C(=O)OC(C)(C)C)cc1
FunctionalGroup,"There is a molecule with 1 ester group, and 4 amide groups.",CC(C)CC(C(=O)OCC(=O)NCC(=O)N(C)C)N1C(=O)c2ccccc2C1=O
AddComponent,Add a benzene ring to the molecule CCOc1ccc(ON2C=CC(CC)O2)cc1.,CCOc1ccc(ON2C=CC(CC)O2)c(-c2ccccc2)c1
SubComponent,Please substitute a halo in the molecule CC1=CC(C(=O)ON)=CCC1c1ccc(F)c(-c2ccc(C3CC3)nc2CN2C(=O)OC(c3cc(CF)cc(C(F)(F)F)c3)C2C)c1 with a aldehyde.,CC(=O)c1ccc(C2CC=C(C(=O)ON)C=C2C)cc1-c1ccc(C2CC2)nc1CN1C(=O)OC(c2cc(CF)cc(C(F)(F)F)c2)C1C
DelComponent,Remove a amide from the molecule CC(NC(=O)C(O)C(O)C(=O)N1CCCC1c1cccc(Cl)c1)C([NH3+])=CC=NC1CCCCC1.,CC(NC(=O)C1(O)C(O)CCC1c1cccc(Cl)c1)C([NH3+])=CC=NC1CCCCC1
LogP,Please optimize the molecule CCCCCC12CCC(c3nnc(-c4ccc5c(c4)CCO5)n3C)(CC1)CC2 to have a higher LogP value.,CCCCCC12CCC(c3nnc(-c4cc5c(cc4-c4ccccc4)OCC5)n3C)(CC1)CC2
MR,Optimize the molecule Cc1ccc(NC(=O)CC[NH2+]C2CC2)cc1I to have a higher MR value.,Cc1ccc(NC(=O)CC[NH2+]C2(O)CC2)cc1I
QED,Optimize the molecule CCCCOc1ccc(NCCOc2ccc(C(C)C)cc2)cc1 to have a lower QED value.,CCCCONCCOc1ccc(C(C)C)cc1
AtomNum,"There is a molecule consisting of 9 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",N#CCCOCC1CCCC1
BondNum,"Please generate a molecule composed of 14 single bonds, 5 rotatable bonds, and 28 aromatic bonds.",Cc1ccc(Nc2cccc3nc(N4CC(C)OC(C)C4)ccc23)cc1-c1[nH]c(-c2ccccc2)c[nH+]1
FunctionalGroup,There is a molecule consisting of and 2 amine groups.,CCN(CCOC)c1cccc(C(N)=[NH2+])n1
AddComponent,Modify the molecule CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC3CC3)c2)cc1 by adding a benzene ring.,CC(C)(C)c1ccc(C(=O)c2cc(NC(=S)NC3CC3)cc(-c3ccccc3)c2)cc1
SubComponent,Modify the molecule halo by substituting a Cc1[nH]c2cc(Cl)ccc2c1CC(=O)C([NH3+])(CCCC[NH3+])C(=O)Nc1ccc(C(c2ccc(NC(=O)C([NH3+])(CCCC[NH3+])C(=O)Cc3c(C)[nH]c4cc(Cl)ccc34)cc2)c2ccc(NC(=O)C([NH3+])(CCCC[NH3+])C(=O)Cc3c(C)[nH]c4cc(Cl)ccc34)cc2)cc1 with a nitrile.,Cc1[nH]c2cc(Cl)ccc2c1CC(=O)C([NH3+])(CCCC[NH3+])C(=O)Nc1ccc(C(c2ccc(NC(=O)C([NH3+])(CCCC[NH3+])C(=O)Cc3c(C)[nH]c4cc(Cl)ccc34)cc2)c2ccc(NC(=O)C([NH3+])(CCCC[NH3+])C(=O)Cc3c(C)[nH]c4cc(C#N)ccc34)cc2)cc1
DelComponent,Modify the molecule amide by removing a CCOC(=O)c1cc2cc(NC(=O)c3cccc(OC)c3OC)ccc2s1.,CCOC(=O)c1cc2cc(-c3(OC)c(OC)ccc-3)ccc2s1
LogP,Modify the molecule COc1ccc(C2CCCN2C(=O)c2cc(Cl)ccn2)cc1OC to decrease its LogP value.,COc1ccc(C2CCCN2C(=O)c2cc(C#N)ccn2)cc1OC
MR,Modify the molecule O=C(Nc1cccc(Br)c1)Nc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1 to have a lower MR value.,O=C(Nc1cccc(O)c1)Nc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1
QED,Please optimize the molecule CCCNc1nc(CCC)nc(NC(C)(C)COC)c1C to have a lower QED value.,CCCc1nc(NCC(C)CC=O)c(C)c(NC(C)(C)COC)n1
AtomNum,"The molecule has 17 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",Cn1c(=O)[nH]cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1=O
BondNum,"The molecule consists of 6 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",C=CCN(C(=O)Cc1ccc2ccccc2c1)c1ccccc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amine groups.",Cc1ccc(NC(=S)c2ccc3cccnc3n2)cc1Nc1nccc(-c2ccncc2)n1
AddComponent,Modify the molecule COc1ccc2nc(C(F)(F)F)c3c(c2c1)C(O)CC1(CC2C(=O)NC4(C(=O)[O-])CC4C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N2C1)O3 by adding a hydroxyl.,COc1ccc2nc(C(F)(F)F)c3c(c2c1)C(O)CC1(CC2C(=O)NC4(C(=O)[O-])CC4C=CC(O)CCCCC(NC(=O)OC(C)(C)C)C(=O)N2C1)O3
SubComponent,Modify the molecule CC(O)CNc1ccc(C#N)c([N+](=O)[O-])c1 by substituting a hydroxyl with a halo.,CC(I)CNc1ccc(C#N)c([N+](=O)[O-])c1
DelComponent,Please remove a benzene ring from the molecule CC(O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)cc1.,CC(O)n1nc(C(C)(C)C)cc1NC(=O)Nc1cccc2ccccc12
LogP,Modify the molecule O=C(NCCSc1ccccc1)Nc1ccccc1-n1cccn1 to increase its LogP value.,O=C(Nc1ccccc1-n1cccn1)NC(CSc1ccccc1)c1ccccc1
MR,Please modify the molecule CC(C)CC([NH3+])C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1O to decrease its MR value.,CC(C)C([NH3+])C1CCN(C(=O)OCc2ccccc2)CC1O
QED,Please modify the molecule [NH3+]C1(C(=O)NCCNC(=O)c2ccc(F)cc2)CCCCC1 to decrease its QED value.,[NH3+]C1(C(=O)NCCNC(=O)F)CCCCC1
AtomNum,"The molecule consists of 16 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",CCOC(=O)COc1ccc(Br)cc1C=Cc1onc(C)c1[N+](=O)[O-]
BondNum,"Please generate a molecule composed of 7 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1cccnc1CNC(=O)c1ncccc1C(=O)[O-]
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 5 amide groups, and 3 halo groups.",Cc1cc(C(=O)Nc2cc(F)ccc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(Cl)c(C(=O)N3CCOCC3)c2)CC1
AddComponent,Add a benzene ring to the molecule CC(CN1C(=O)COc2ccc(F)cc21)C[NH+]1CCC(OCC2CC2)CC1.,CC(CN1C(=O)COc2ccc(F)c(-c3ccccc3)c21)C[NH+]1CCC(OCC2CC2)CC1
SubComponent,Please substitute a COc1cc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c(OC)cc1Cl in the molecule halo with a aldehyde.,CC(=O)c1cc(OC)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1OC
DelComponent,Modify the molecule Cc1cc(C=NNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 by removing a benzene ring.,Cc1cc(C=NNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c(C)n1Cl
LogP,Modify the molecule COc1ccc(Oc2c(Br)cc(C=NOC(C)C(=O)[O-])cc2Br)cc1-c1ccccc1 to decrease its LogP value.,COc1ccc(Oc2ccc(C=NOC(C)C(=O)[O-])cc2Br)cc1-c1ccccc1
MR,Please optimize the molecule CNC(=O)C1CCCCC1Nc1nnc(-c2ccccc2)s1 to have a higher MR value.,CNC(=O)C1C(Nc2nnc(-c3ccccc3)s2)CCCC1c1ccccc1
QED,Optimize the molecule O=S(=O)(NC1CCCCC1Cl)c1cccnc1 to have a lower QED value.,NC1CCCC(Cl)C1NS(=O)(=O)c1cccnc1
AtomNum,"The molecule has 14 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",CN(C)c1cnn(CC(=O)c2cccc(Br)c2)c(=O)c1
BondNum,"The molecule is composed of 5 single bonds, 1 rotatable bond, and 11 aromatic bonds.",Nc1cnn(-c2cc(F)c(F)cc2F)n1
FunctionalGroup,"There is a molecule with 1 amide group, and 1 sulfide group.",CCCCCc1nnc(NC(=O)CCn2c(=O)oc3ccccc32)s1
AddComponent,Add a hydroxyl to the molecule Nc1nnc(SCc2cc(=O)nc(Nc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)[nH]2)s1.,Nc1nnc(SCc2cc(=O)nc(Nc3nc(-c4ccc(O)cc4)c4cc(Cl)ccc4n3)[nH]2)s1
SubComponent,Modify the molecule halo by substituting a O=C1Cc2c(Br)cc(Br)cc2N1 with a aldehyde.,CC(=O)c1cc(Br)cc2c1CC(=O)N2
DelComponent,Please remove a Cc1ccccc1NC(=O)c1c(-c2cccc(Cl)c2)n(Cc2ccc(Cl)cc2)c(C)cc1=O from the molecule benzene ring.,CNC(=O)c1c(-c2cccc(Cl)c2)n(Cc2ccc(Cl)cc2)c(C)cc1=O
LogP,Please optimize the molecule CC(=O)C(Cl)(Br)S(=O)(=O)c1ccc(C)cc1 to have a lower LogP value.,CC(=O)C(Cl)S(=O)(=O)c1ccc(C)cc1
MR,Optimize the molecule CN(CCC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)CCC1C2CCC2(C)C(c3cncc(F)c3)=CCC12 to have a higher MR value.,CN(CCC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)CCC1C2CCC2(C)C(c3cncc(O)c3)=CCC12
QED,Modify the molecule Cc1cc2c(nc1N1CCC(Oc3ccc4c(c3)CCOC4)C(F)C1)CNC2=O to have a lower QED value.,Cc1cc2c(nc1N1CCC(Oc3ccc4c(c3)CCOC4O)C(F)C1)CNC2=O
AtomNum,"There is a molecule consisting of 16 carbon atoms, and 3 oxygen atoms.",CC1=C2CC3C(C)(O)CCCC3(C)CC2(C)OC1=O
BondNum,"The molecule is composed of 23 single bonds, 1 double bond, 11 rotatable bonds, and 29 aromatic bonds.",CCC(N(C)C)N(c1cc(C=C2Sc3cc(-c4c(OC)cccc4OC)ccc3N2C)c2ccccc2[n+]1Cc1ccccc1)C(C)C
FunctionalGroup,There is a molecule composed of and 1 amide group.,CN1C(=O)C(CCC(=O)[O-])Oc2cccnc21
AddComponent,Modify the molecule CC(C)c1cccc2c1NC(c1ccccc1[N+](=O)[O-])C1CC=CC21 by adding a hydroxyl.,CC(C)c1cccc2c1NC(c1ccccc1[N+](=O)[O-])C1CC=C(O)C21
SubComponent,Modify the molecule N#CC(CCl)c1ccccc1C(F)(F)F by substituting a halo with a hydroxyl.,N#CC(CO)c1ccccc1C(F)(F)F
DelComponent,Please remove a amine from the molecule CC(C)(CCn1cc(I)cn1)C(N)=S.,CC(C)(C=S)CCn1cc(I)cn1
LogP,Modify the molecule Cc1noc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[O-] to decrease its LogP value.,CC(=O)c1ccc(-c2onc(C)c2C(=O)[O-])cc1Cl
MR,Please modify the molecule CN(CC1CC1)S(=O)(=O)NC1CCCCC1C[NH3+] to decrease its MR value.,CN(CC1CC1)S(=O)(=O)C1CCCCC1C[NH3+]
QED,Please optimize the molecule CCCCN(CCO)C(=O)c1cc2ccccc2[nH]1 to have a higher QED value.,CCCCN(CCC#N)C(=O)c1cc2ccccc2[nH]1
AtomNum,"Please generate a molecule with 44 carbon atoms, 2 nitrogen atoms, 2 sulfur atoms, and 2 bromine atoms.",CCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCC)c(Br)s3)c3nc4c5ccccc5c5ccccc5c4nc23)sc1Br
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 5 rotatable bonds, and 26 aromatic bonds.",Cc1c(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4cc(-c5ccc(F)cc5)n[nH]4)c23)cnn1C
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 halo group, and 1 sulfone group.",Cc1ccc2c(c1)CCCN2S(=O)(=O)CCOc1ccc(F)cc1
AddComponent,Modify the molecule Cc1ccccc1CN1C(=O)NC(=Cc2c(-c3ccc(Cl)cc3Cl)[nH]n(-c3ccccc3C)c2=O)C1=O by adding a hydroxyl.,Cc1ccccc1CN1C(=O)NC(=Cc2c(-c3ccc(Cl)c(O)c3Cl)[nH]n(-c3ccccc3C)c2=O)C1=O
SubComponent,Substitute a halo in the molecule COC(=O)n1ccc2cc(O)cc(F)c21 with a carboxyl.,COC(=O)n1ccc2cc(O)cc(C(=O)[OH])c21
DelComponent,Remove a benzene ring from the molecule COc1cc(-c2c(Cl)n(-c3cccc([N+](=O)[O-])c3)c3ncnc(NC(=O)OC(C)(C)C)c23)ccc1C.,COc1cc(-c2c(Cl)n([N+](=O)[O-])c3ncnc(NC(=O)OC(C)(C)C)c23)ccc1C
LogP,Modify the molecule CCC[NH2+]C(c1ccc(C)c(Cl)c1)c1cccc(Cl)c1C to decrease its LogP value.,CC(=O)c1cc(C([NH2+]CCC)c2cccc(Cl)c2C)ccc1C
MR,Modify the molecule CCC[NH2+]CCC(C)(O)c1ccccc1C1CCC1 to have a lower MR value.,CCC[NH2+]CCC(C)c1ccccc1C1CCC1
QED,Please modify the molecule CCNC(NCCS(=O)Cc1ccccc1)=[NH+]CC(C)Sc1ccccc1 to decrease its QED value.,CCNC(NCCS(=O)Cc1ccccc1)=[NH+]CC(C)Sc1cccc(-c2ccccc2)c1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",NC(=O)c1cccc(N)c1OCc1ccc(Br)s1
BondNum,"The molecule contains 5 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",Cn1nnc(Cn2cnc(CO)c2)n1
FunctionalGroup,There is a molecule consisting of and 1 amine group.,CCNc1nc(OCCOC)nc(N(C)C)n1
AddComponent,Modify the molecule CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc[nH]c2=S)CC1 by adding a hydroxyl.,CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc[nH]c2=S)CC1O
SubComponent,Please substitute a halo in the molecule CN(C)c1cccc(CNC(=O)c2c(F)cccc2F)c1 with a nitro.,CN(C)c1cccc(CNC(=O)c2c(F)cccc2NO)c1
DelComponent,Please remove a benzene ring from the molecule COc1ccc([N+](=O)[O-])cc1C(C)O.,COC(C)(O)[N+](=O)[O-]
LogP,Modify the molecule CC(NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Br)cc1F to decrease its LogP value.,CC(NC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1F
MR,Optimize the molecule COCCCN(C)CC([NH3+])c1ccccc1OC to have a lower MR value.,COCCCN(C)CC([NH3+])OC
QED,Please optimize the molecule O=[N+]([O-])c1ccc(NNC(c2ccc(O)cc2)n2cnnc2)c([N+](=O)[O-])c1 to have a lower QED value.,CC(=O)c1ccc(C(NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n2cnnc2)cc1
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",COc1cc(C(=O)C2(NC(=O)c3cccc(OC)c3C)CCCC2)cc(OC)c1C
BondNum,"Please generate a molecule composed of 16 single bonds, 3 double bonds, 6 rotatable bonds, and 23 aromatic bonds.",COc1ccc(C2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cc(NC(C)=O)ccc2C)c(OC)c1
FunctionalGroup,The molecule has and 1 hydroxyl group.,CCCCCc1cc(CCCO)on1
AddComponent,Modify the molecule O=C(NCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1cccc(F)c1 by adding a hydroxyl.,O=C(NCC(=O)N1CCC(c2nc3c(O)c(Cl)ccc3s2)CC1)c1cccc(F)c1
SubComponent,Please substitute a halo in the molecule O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1)N1CCc2ccccc2C1 with a nitrile.,N#Cc1ccc(-c2csc(-c3cccn3CC(=O)N3CCc4ccccc4C3)n2)cc1
DelComponent,Modify the molecule Cc1ccccc1CCc1nnc(Br)s1 by removing a benzene ring.,CCCc1nnc(Br)s1
LogP,Optimize the molecule Cc1ccc(CCc2ccc(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2F)cc1 to have a lower LogP value.,Cc1ccc(CCc2ccc(C(F)Oc3cc(F)c(F)c(F)c3)c(F)c2F)cc1
MR,Optimize the molecule CC(C(=O)[O-])[NH+](C)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F to have a higher MR value.,CC(C(=O)[O-])[NH+](C)Cc1nnnn1-c1ccc(Cl)c(-c2ccccc2)c1C(F)(F)F
QED,Modify the molecule CC1CCCC(CO)(NC(=O)C2CCC(=O)NC2)C1 to have a higher QED value.,CC1CCCC(CBr)(NC(=O)C2CCC(=O)NC2)C1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 bromine atom.",CC1CCC(CBr)(NC(=O)C(C)(C)C)CC1
BondNum,"The molecule has 11 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",O=c1[nH]c2ccccc2cc1C[NH+]1CCN(Cc2cccc(O)c2)CC1
FunctionalGroup,"The molecule has 1 amide group, and 1 amine group.",CCCNc1ccc(C(=O)NCCC[NH+]2CCCC2)nc1
AddComponent,Please add a amine to the molecule CC(C)(OC(=O)OCc1ccc([N+](=O)[O-])cc1)C1C(=O)N2C(C(=O)[O-])=C(SCCNC(=O)OCc3ccc([N+](=O)[O-])cc3)C(Cc3ccc([N+](=O)[O-])cc3)C12.,CC(C)(OC(=O)OCc1ccc([N+](=O)[O-])cc1)C1C(=O)N2C(C(=O)[O-])=C(SCCNC(=O)OCc3ccc([N+](=O)[O-])cc3N)C(Cc3ccc([N+](=O)[O-])cc3)C12
SubComponent,Substitute a hydroxyl in the molecule Cn1c(C[NH+](C)C)c(C(=O)N2CCCC2)c2cc(O)c(-c3cccnc3)cc21 with a nitrile.,Cn1c(C[NH+](C)C)c(C(=O)N2CCCC2)c2cc(C#N)c(-c3cccnc3)cc21
DelComponent,Remove a Cn1cc(C2CC2c2c(C(=O)[O-])cnn2-c2cccc(-c3cccc(OCC4CCSCC4)c3)c2)nn1 from the molecule benzene ring.,Cn1cc(C2CC2c2c(C(=O)[O-])cnn2-c2cccc(OCC3CCSCC3)c2)nn1
LogP,Optimize the molecule Cn1cc(S(=O)(=O)n2ccc(C(=O)[O-])n2)cn1 to have a lower LogP value.,Cn1cc(S(=O)(=O)n2ccc(C(=O)[O-])n2)c(C(=O)O)n1
MR,Please optimize the molecule Cc1cc(C)n(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cn4nc(C)cc4C)s3)s2)n1 to have a lower MR value.,Cc1cc(C)n(CC(=O)Nc2nnc(CCSCCc3nnc(-n4nc(C)cc4C)s3)s2)n1
QED,Optimize the molecule Cc1noc(C)c1CC(=O)N1CCC(n2c(=O)[nH]c3cncnc32)C1 to have a higher QED value.,Cc1noc(C)c1C1CC(n2c(=O)[nH]c3cncnc32)C1
AtomNum,"The molecule contains 24 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1
BondNum,"Please generate a molecule consisting 8 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",ClC(Cc1ccccn1)c1ccc2c(c1)OCO2
FunctionalGroup,"There is a molecule composed of 1 amide group, 2 amine groups, and 1 sulfide group.",Cc1ccc(NC(=O)CC[NH+]=C(N)N2CCN(c3nccs3)CC2)nc1
AddComponent,Add a benzene ring to the molecule COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1OC.,COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1OCc1ccccc1
SubComponent,Modify the molecule CC(=NNc1c(F)c(F)nc(F)c1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 by substituting a halo with a carboxyl.,CC(=NNc1c(F)c(F)nc(F)c1C(=O)[OH])c1ccc(S(=O)(=O)N2CCCC2)cc1
DelComponent,Please remove a CC(C)c1ccc(NC(=O)N(Cc2nc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cs2)C(C)C)cc1 from the molecule benzene ring.,CC(C)c1ccc(NC(=O)N(Cc2nc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cs2)C(C)C)cc1
LogP,Modify the molecule COC(=O)C(C#N)=C1NC(c2ccccc2)=CS1 to decrease its LogP value.,COC(=O)C(NO)=C1NC(c2ccccc2)=CS1
MR,Modify the molecule CC(Nc1nc(C(=O)[O-])nc2nc(-c3cccc(C#N)c3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1 to have a lower MR value.,CC(Nc1nc(C(=O)[O-])nc2nc(C#N)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
QED,Please optimize the molecule O=S(=O)(Nc1cccc(Cc2ccccc2)c1)c1ccc(Br)cc1 to have a lower QED value.,O=S(=O)(c1ccc(Br)cc1)c1cccc(Cc2ccccc2)c1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COC(=O)C(C)[NH2+]Cc1c(C)cc(O)cc1C
BondNum,"The molecule is composed of 25 single bonds, 3 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1cccc(OCCN(C(=O)[O-])C(C)(C)C)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 1 halo group.",C[NH+]1CCC([NH+]2CCN(C(=O)c3ccn4c(-c5cccc(Cl)c5)nnc4c3)CC2)CC1
AddComponent,Please add a amine to the molecule [NH3+]CC(=O)N1C(=O)c2ccccc2C1=O.,NC([NH3+])C(=O)N1C(=O)c2ccccc2C1=O
SubComponent,Modify the molecule halo by substituting a [NH3+]CCc1nnc(-c2ccc(Br)c(C(F)(F)F)c2)o1 with a thiol.,[NH3+]CCc1nnc(-c2ccc(S)c(C(F)(F)F)c2)o1
DelComponent,Please remove a amide from the molecule N#CC1(C(=O)NCCNC(N)=O)CCCCCC1.,N#CC1CCCCCC1CNC(N)=O
LogP,Optimize the molecule CC(=O)N1CCC(NC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 to have a higher LogP value.,CS(=O)(=O)N1CCC(NC(=O)NC2CCCC2)CC1
MR,Please optimize the molecule Nc1c(Cl)cc(C(O)C[NH+](CCCCCCOCC=Cc2ccccn2)Cc2ccccc2)cc1Cl to have a lower MR value.,Nc1c(Cl)cc(CC[NH+](CCCCCCOCC=Cc2ccccn2)Cc2ccccc2)cc1Cl
QED,Optimize the molecule C=CC1(C)C=C2C(O)C3(O)OCC4(CCCC(C)(C)C34O)C2(O)CC1 to have a higher QED value.,C=CC1(C)C=C2C(O)C3(O)OCC4(CCCC(C)(C)C34)C2(O)CC1
AtomNum,"The molecule consists of 10 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cn1cc(N)c(C(=O)N2CCCC2C(N)=O)n1
BondNum,"The molecule contains 12 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",[NH3+]CC(C[NH+]1CCN(c2nccs2)CC1)c1ccccc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 nitro group, and 3 halo groups.",CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Br
AddComponent,Please add a nitrile to the molecule Cc1cc(C=C2Sc3ccccc3NC2=O)c(C)n1-c1ccc(Br)cc1.,Cc1cc(C=C2Sc3ccccc3NC2=O)c(C)n1-c1ccc(Br)c(C#N)c1
SubComponent,Substitute a hydroxyl in the molecule CCC(C)C1CC(C)CC(O)C1C with a aldehyde.,CC(=O)C1CC(C)CC(C(C)CC)C1C
DelComponent,Modify the molecule hydroxyl by removing a CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C)C(O)C1.,CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C)CC1
LogP,Modify the molecule CC1(C)CC(C(O)CC(F)(F)F)C(C)(C)O1 to decrease its LogP value.,CC1(C)CC(C(O)CC(F)(F)NO)C(C)(C)O1
MR,Modify the molecule CCNC(=[NH+]Cc1cccc(Cn2cccn2)c1)N1CCN(c2cnn(C)c2)C(=O)C1 to increase its MR value.,CC(O)NC(=[NH+]Cc1cccc(Cn2cccn2)c1)N1CCN(c2cnn(C)c2)C(=O)C1
QED,Please optimize the molecule COc1cc(Cl)c(C)cc1Nc1ccc(NC(=O)c2ccccc2F)cn1 to have a higher QED value.,COc1cc(Cl)c(C)cc1Nc1ccc(NC(=O)c2ccccc2)cn1
AtomNum,"The molecule contains 21 carbon atoms, 2 oxygen atoms, 1 bromine atom, and 1 silicon atom.",CC(C)[Si](OCc1cc(OCBr)c2ccccc2c1)(C(C)C)C(C)C
BondNum,"There is a molecule with 31 single bonds, 3 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",CC(=O)N1CCC(C(=O)N(CCC[NH+]2CC3CN(C(=O)c4c(C)nn(-c5ccccc5)c4C)CC3C2)c2ccc(C)c(Cl)c2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 halo groups.",CC([NH2+]CC(C)N(C)C1CC1)c1ccc(Cl)cc1Cl
AddComponent,Add a benzene ring to the molecule CC(C)CC1OCCCC1NC(=O)N1CCOC(c2cccs2)C1.,CC(C)CC1OCCCC1NC(=O)N1CC(c2ccccc2)OC(c2cccs2)C1
SubComponent,Modify the molecule halo by substituting a NC(=S)Nc1nc2c(c(C(F)(F)F)n1)CC1(CC2)OCCO1 with a aldehyde.,CC(=O)C(F)(F)c1nc(NC(N)=S)nc2c1CC1(CC2)OCCO1
DelComponent,Please remove a Cc1ccc(NC(=O)Nc2cccc3c2CC[NH+](Cc2cnc(C)o2)C3)cc1 from the molecule benzene ring.,CNC(=O)Nc1cccc2c1CC[NH+](Cc1cnc(C)o1)C2
LogP,Please optimize the molecule COCCN(Cc1cc2cc3c(cc2nc1Cl)OCO3)C(=O)Nc1cccc(C)c1 to have a lower LogP value.,CC(=O)c1nc2cc3c(cc2cc1CN(CCOC)C(=O)Nc1cccc(C)c1)OCO3
MR,Modify the molecule CC(=O)C=C(C)NC(C)=CC#N to have a lower MR value.,C=C(C)NC(C)=CC(C)=O
QED,Please modify the molecule Cc1ccc(NC(=O)Nc2cc(-c3ccccc3-c3nn[n-]n3)ccc2N(C)C2CCOCC2)cc1 to decrease its QED value.,Cc1ccc(NC(=O)Nc2cc(-c3ccccc3-c3nn[n-]n3)ccc2N(C)C2(c3ccccc3)CCOCC2)cc1
AtomNum,"Please generate a molecule composed of 9 carbon atoms, and 2 oxygen atoms.",CC(C)OCCCOC(C)C
BondNum,"The molecule contains 9 single bonds, 2 double bonds, 5 rotatable bonds, and 22 aromatic bonds.",Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1
FunctionalGroup,The molecule consists of and 3 benzene ring groups.,C1=Cc2c(n(-c3cccc(C4CCO4)c3)c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(C6CCO6)c5)c4)cc23)CC1
AddComponent,Please add a benzene ring to the molecule C[NH+]1CCC(O)(c2cccc(C#N)c2)C1.,C[NH+]1CCC(O)(c2cc(C#N)ccc2-c2ccccc2)C1
SubComponent,Modify the molecule hydroxyl by substituting a COc1ccc(CO)cc1OCCCCCO with a halo.,COc1ccc(CCl)cc1OCCCCCO
DelComponent,Remove a O=C(Nc1ccccc1-n1cnnn1)n1ccnc1 from the molecule benzene ring.,O=C(Nn1cnnn1)n1ccnc1
LogP,Please modify the molecule CC[NH2+]Cc1ccc(S(=O)(=O)NC(C)CS(C)(=O)=O)o1 to increase its LogP value.,CC[NH2+]Cc1ccc(S(=O)(=O)C(C)CS(C)(=O)=O)o1
MR,Modify the molecule Cc1cc(C(=O)N2CCc3cc(Br)ccc32)ccc1N1CCNC1=O to decrease its MR value.,Cc1cc(C(=O)N2CCc3cc(O)ccc32)ccc1N1CCNC1=O
QED,Optimize the molecule Brc1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 to have a higher QED value.,Oc1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1
AtomNum,"The molecule has 50 carbon atoms, 2 nitrogen atoms, and 2 fluorine atoms.",Fc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3)c3c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)cc1
BondNum,"Please generate a molecule composed of 13 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)CCC(C)(O)CNC(=O)C=Cc1ccnc(Cl)c1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 halo group.",Cc1cnc(C(=O)Nc2cc(Cl)cc3cccnc23)cn1
AddComponent,Modify the molecule COc1cc(Cl)cc(CC[NH3+])c1OCCc1ccsc1 by adding a hydroxyl.,COc1c(O)c(Cl)cc(CC[NH3+])c1OCCc1ccsc1
SubComponent,Modify the molecule CC#CC(=O)OC1(C(=O)COC(=O)CC)C(C)CC2C3CC=C4CC(=O)C=CC4(C)C3(Cl)C(O)CC21C by substituting a hydroxyl with a halo.,CC#CC(=O)OC1(C(=O)COC(=O)CC)C(C)CC2C3CC=C4CC(=O)C=CC4(C)C3(Cl)C(Cl)CC21C
DelComponent,Modify the molecule amide by removing a CC(C)[NH+](CC(N)=O)Cc1ccc(-c2ccccc2C#N)cc1.,CC(C)[NH+]Cc1ccc(-c2ccccc2C#N)cc1
LogP,Please optimize the molecule CC[NH+](CC(=O)[O-])C1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)CC1 to have a lower LogP value.,CC[NH+](CC(=O)[O-])C1CC[NH+](Cc2ncc(OC)o2)CC1
MR,Modify the molecule CC(C)C(NC(=O)C([NH3+])CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)[O-])C(C)O to have a higher MR value.,CC(C)C(NC(=O)C([NH3+])CO)C(=O)NC(Cc1ccc(O)cc1O)C(=O)NC(C(=O)[O-])C(C)O
QED,Optimize the molecule COC(=O)CC1(O)CC(=O)N(CC2C=CC(n3cc(C)c(=O)[nH]c3=O)O2)C1=O to have a lower QED value.,COC(=O)CC1(NO)CC(=O)N(CC2C=CC(n3cc(C)c(=O)[nH]c3=O)O2)C1=O
AtomNum,"Please generate a molecule with 16 carbon atoms, 6 oxygen atoms, 3 fluorine atoms, and 3 silicon atoms.",CC(C)C(C)(C)C(OC(=O)C(=CC(=O)[O-])CC(F)(F)F)(O[Si](C)(C)C)[SiH2]O[SiH3]
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, 9 rotatable bonds, and 17 aromatic bonds.",CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCc1ccc(C)cc1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 2 aldehyde groups.",O=Cc1cccc(OC(=O)Oc2cccc(C=O)c2)c1
AddComponent,Add a aldehyde to the molecule CC(=O)NCCCCCC(=O)Nc1ccc(C2OC(CSc3nccn3C)C(C)C(c3ccc(CO)cc3)O2)cc1.,CC(=O)NCCCCCC(=O)Nc1ccc(C2OC(c3ccc(CO)cc3)C(C)C(CC=O)(CSc3nccn3C)O2)cc1
SubComponent,Modify the molecule halo by substituting a CN(C)c1ccc(C2c3sc(=O)[nH]c3SC3C(=O)N(c4ccc(Br)cc4)C(=O)C32)cc1 with a hydroxyl.,CN(C)c1ccc(C2c3sc(=O)[nH]c3SC3C(=O)N(c4ccc(O)cc4)C(=O)C32)cc1
DelComponent,Modify the molecule benzene ring by removing a CCC(C)(C)c1ccc(N2c3ccccc3C(C)(C)c3cc4cc(C=C5C(=O)c6cc7ccccc7cc6C5=O)ccc4cc32)cc1.,CCC(C)(C)N1c2ccccc2C(C)(C)c2cc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc3cc21
LogP,Please modify the molecule CCCOc1ccc(C)nc1I to decrease its LogP value.,CC(=O)c1nc(C)ccc1OCCC
MR,Please optimize the molecule CCCOCCCCCCCCCCCCCCCCCCC=CCC(O)C(=O)[O-] to have a lower MR value.,CCCOCCCCCCCCCCCCCCCCCCC=CCCC(=O)[O-]
QED,Modify the molecule Cc1cc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)no1 to decrease its QED value.,CN1C(=O)COc2ccc(C(=O)Nc3cc(Cc4ccccc4)on3)cc21
AtomNum,"The molecule contains 16 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CN(CCOc1ccccc1)C(=O)c1ccccc1
BondNum,"The molecule consists of 16 single bonds, 2 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(CNC(=O)C(CC(C)C)NC(=O)c2nc(SCc3ccccc3)ncc2Cl)cc1
FunctionalGroup,"The molecule has 4 amide groups, and 9 amine groups.",NC(N)=[NH+]CCCC([NH3+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-]
AddComponent,Add a benzene ring to the molecule CC(C)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)C)nc3-c3ccc4c(c3)C[NH+](C)CC4)cc2)ccn1.,CC(C)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)C)nc3-c3ccc4c(c3)C[NH+](Cc3ccccc3)CC4)cc2)ccn1
SubComponent,Please substitute a halo in the molecule CCC1CCCCC1[NH2+]Cc1cc(Br)c(O)c(OC)c1 with a thiol.,CCC1CCCCC1[NH2+]Cc1cc(S)c(O)c(OC)c1
DelComponent,Please remove a amide from the molecule CCCCCC[NH+]1CCC(C2c3ccc(-c4ccncc4)cc3CC[NH+]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1.,CCCCCC[NH+]1CCC(C2c3ccc(-c4ccncc4)cc3CC[NH+]2c2cc(Cl)cc(Cl)c2)CC1
LogP,Modify the molecule CC1CCC(F)(CBr)CC1 to have a lower LogP value.,CC1CCC(O)(CBr)CC1
MR,Please modify the molecule COc1ccc(Br)c(C(=O)NC(C#N)C2CC2)c1 to decrease its MR value.,COc1ccc(Br)c(C(=O)NCC2CC2)c1
QED,Please optimize the molecule COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2F)c(F)cc1Br to have a lower QED value.,COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2NO)c(F)cc1Br
AtomNum,"There is a molecule consisting of 20 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1c(C(=O)NCc2ccc(Cn3cncn3)cc2)oc2c1C(=O)CCC2
BondNum,"Please generate a molecule with 3 single bonds, 2 double bonds, 1 rotatable bond, and 5 aromatic bonds.",Nc1sccc1S(=O)(=O)[O-]
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, and 1 halo group.",C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)cc2Cl)CC1
AddComponent,Add a benzene ring to the molecule CC(C)(C)C1(C(=O)[O-])CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Br.,CC(C)(Cc1ccccc1)C1(C(=O)[O-])CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Br
SubComponent,Substitute a hydroxyl in the molecule C[NH+]1CCCC(C([NH3+])C(O)C[NH3+])C1 with a aldehyde.,CC(=O)C(C[NH3+])C([NH3+])C1CCC[NH+](C)C1
DelComponent,Modify the molecule benzene ring by removing a c1cncc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccncc6)cc5)c5cccnc5)cc4)o3)cc2)c1.,c1cncc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccncc5)cc4)c4cccnc4)o3)cc2)c1
LogP,Modify the molecule CCC(=O)N(c1ccccc1)c1n[nH]c2c1CN(S(N)(=O)=O)C2 to decrease its LogP value.,NS(=O)(=O)N1Cc2[nH]nc(N(C(=O)CCCC=O)c3ccccc3)c2C1
MR,Modify the molecule NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)CCCCc1ccccc1 to decrease its MR value.,NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC[NH+]=C(N)N)N(Cc1ccccc1)C(=O)C(Cc1ccc(Cl)cc1)NC(=O)CCCCc1ccccc1
QED,Please optimize the molecule COc1ccc(Br)c(C[NH2+]C(C)CCO)c1 to have a lower QED value.,COc1cccc(C[NH2+]C(C)CCO)c1
AtomNum,"The molecule has 21 carbon atoms, and 3 nitrogen atoms.",CCC(C)(CC)Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1
BondNum,"The molecule is composed of 11 single bonds, 3 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)c1C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ketone group, and 1 halo group.",CC1[NH2+]C1C(=O)c1ccc(F)cc1
AddComponent,Modify the molecule COCC(C)N(C)C(=O)c1nn(-c2ccccc2)nc1C by adding a hydroxyl.,COCC(C)N(C)C(=O)c1nn(-c2ccccc2O)nc1C
SubComponent,Please substitute a halo in the molecule CCC(CC)(CBr)C1CC1 with a nitrile.,CCC(CC)(CC#N)C1CC1
DelComponent,Modify the molecule amide by removing a CC(O)C(NC(=O)C(CS)NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(Cc1cnc[nH]1)C(=O)[O-].,CC(O)N(C(=O)C(CS)NC(=O)C([NH3+])CCCC[NH3+])C(Cc1cnc[nH]1)C(=O)[O-]
LogP,Please modify the molecule COC(=O)c1[nH]c(C(CCCCOS(C)(=O)=O)N(C)C(=O)OC(C)(C)C)nc(=O)c1[O-] to decrease its LogP value.,COC(=O)c1[nH]c(C(CCCCOS(C)(=O)=O)N(C)C(=O)OC(C)(C)CC(=O)O)nc(=O)c1[O-]
MR,Modify the molecule Nc1cc(NC2CC23CCCC3)sn1 to have a lower MR value.,Nc1cc(C2CC23CCCC3)sn1
QED,Modify the molecule CC[NH+](CC(C)(O)C(=O)[O-])C1CC[NH2+]CC1 to have a higher QED value.,CC[NH+](CC(C)(O)C(=O)[O-])C1CC[NH2+]CC1c1ccccc1
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 fluorine atom.",CCCCC[NH+](C)C(C)c1ccc(F)cc1O
BondNum,"The molecule is composed of 14 single bonds, 2 double bonds, 5 rotatable bonds, and 20 aromatic bonds.",COc1ccc2c(O)n(CC3(n4cc5cc(OC)ccc5c4O)NC(=O)NC3=O)cc2c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, and 2 halo groups.",COc1cc(C)c(C(F)(F)C(C)N)cc1C(C)C
AddComponent,Modify the molecule O=C(CCc1nc(-c2ccccn2)no1)NCCC1CCC[NH2+]C1 by adding a hydroxyl.,O=C(CCc1nc(-c2ncccc2O)no1)NCCC1CCC[NH2+]C1
SubComponent,Substitute a CCc1ccsc1C[NH2+]Cc1cccc(C)c1O in the molecule hydroxyl with a nitro.,CCc1ccsc1C[NH2+]Cc1cccc(C)c1NO
DelComponent,Remove a halo from the molecule CC1CCCC1(O)CNC(=O)NCCC1CC(F)(F)C1.,CC1CCCC1(O)CNC(=O)NCCC1CC(F)C1
LogP,Modify the molecule CC(CCc1ccc(OC(C)C)cc1)Nc1ncc([N+](=O)[O-])c(N)n1 to decrease its LogP value.,CC(CCOC(C)C)Nc1ncc([N+](=O)[O-])c(N)n1
MR,Modify the molecule CCCC(C)Nc1ncnc(Cl)c1OC to have a lower MR value.,CCCC(C)c1ncnc(Cl)c1OC
QED,Please optimize the molecule Cc1nc2ccc(NCc3ccc(O)cc3)cc2s1 to have a lower QED value.,CC(=O)c1ccc(CNc2ccc3nc(C)sc3c2)cc1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",CN1CCc2cc(C(=O)OCc3nc4ccccc4n3C(F)F)ccc21
BondNum,"The molecule has 14 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCC1CN(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)CCS1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 3 halo groups.",Fc1cccc(C2[NH2+]CCc3cccc(Cl)c32)c1F
AddComponent,Please add a hydroxyl to the molecule O=C(Cc1c(F)cccc1Cl)c1ccncc1.,O=C(Cc1c(F)cccc1Cl)c1ccncc1O
SubComponent,Substitute a halo in the molecule CC(C)CNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)C(C)C)CC2)c1 with a nitrile.,CC(C)CNC(=O)c1ccc(C#N)c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)C(C)C)CC2)c1
DelComponent,Remove a CCN(CC)c1ccc(C=C(Cl)c2nnc(-c3cccc(C)c3)o2)cc1 from the molecule benzene ring.,CCN(C=C(Cl)c1nnc(-c2cccc(C)c2)o1)CC
LogP,Optimize the molecule C[NH2+]C(c1c(F)cccc1F)C1CCC(C)O1 to have a lower LogP value.,C[NH2+]C(c1c(F)cccc1C#N)C1CCC(C)O1
MR,Optimize the molecule CC(NC(=O)c1ccc(C#CCO)cn1)c1ccccc1 to have a higher MR value.,CC(NC(=O)c1ccc(C#CCNO)cn1)c1ccccc1
QED,Optimize the molecule CCCCN(CCCC)c1nc(NN=Cc2ccc(OC)c(OC)c2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 to have a lower QED value.,CCCCN(CCCC)c1nc(NN=Cc2ccc(OC)c(OC)c2)nc(Nc2ccc([N+](=O)[O-])cc2N)n1
AtomNum,"There is a molecule with 16 carbon atoms, 1 nitrogen atom, and 2 chlorine atoms.",CC1(C)CCC(C#N)(Cc2ccc(Cl)c(Cl)c2)CC1
BondNum,"There is a molecule composed of 27 single bonds, 2 double bonds, and 6 rotatable bonds.",CC[NH+]1CCCC1CNC(NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)=[NH+]C
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,COc1ccccc1C1CCN(c2ncnc3nc[nH]c23)C1
AddComponent,Modify the molecule CC1CN(c2ccc(C(N)=[NH+]O)cn2)C(C)CO1 by adding a hydroxyl.,CC1COC(C)(O)CN1c1ccc(C(N)=[NH+]O)cn1
SubComponent,Please substitute a halo in the molecule CCn1c(C([NH3+])(CC)CC)nc2cccc(Cl)c21 with a thiol.,CCn1c(C([NH3+])(CC)CC)nc2cccc(S)c21
DelComponent,Please remove a amide from the molecule CSc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.,CSc1ccc(CC(C)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
LogP,Modify the molecule CNc1cnc(C(C)C)nc1C(=O)NC1(C)CCC1 to have a lower LogP value.,CNc1cnc(C(C)CCC=O)nc1C(=O)NC1(C)CCC1
MR,Please optimize the molecule COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 to have a lower MR value.,COc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cccc(Br)c3OC(=O)c3cccc(C(F)(F)F)c3)[nH]c12
QED,Optimize the molecule ClCCC1CCCN(c2cc[nH+]c3ccccc23)C1 to have a higher QED value.,O=C([OH])CCC1CCCN(c2cc[nH+]c3ccccc23)C1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 fluorine atoms.",CCC(=NOc1cccnn1)c1ccc(NC(=O)c2c(F)cccc2F)nc1
BondNum,"There is a molecule consisting of 15 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=C(NCCc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl
FunctionalGroup,"Please generate a molecule composed of 1 ester group, and 2 amine groups.",CCCCNc1nc(N)ncc1CCc1ccc(C(=O)OCC)o1
AddComponent,Please add a benzene ring to the molecule CCC[NH2+]C(C)CCCCn1ccn2nccc2c1=O.,CCC[NH2+]C(C)CC(CCn1ccn2nccc2c1=O)c1ccccc1
SubComponent,Modify the molecule COC(=O)c1ccc(COc2ccc(C)cc2CO)cc1 by substituting a hydroxyl with a carboxyl.,COC(=O)c1ccc(COc2ccc(C)cc2CC(=O)[OH])cc1
DelComponent,Remove a COc1ccc(C2CC[NH2+]C2)c(C=O)c1 from the molecule benzene ring.,COC(=O)C1CC[NH2+]C1
LogP,Modify the molecule CS(=O)(=O)NCCC[NH2+]C1CCC([NH3+])C1 to decrease its LogP value.,CS(=O)(=O)NCCC[NH2+]C1CC([NH3+])CC1N
MR,Optimize the molecule CC([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(N)=O to have a lower MR value.,CC([NH2+]Cc1c(O)cccc1[N+](=O)[O-])C(N)=O
QED,Modify the molecule CCCCN1C(=O)NC(=Cc2ccc(C(=O)OC)cc2)C1=O to have a lower QED value.,CCCCN1C(=O)NC(=CC(=O)OC)C1=O
AtomNum,"The molecule is composed of 23 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",COc1ccccc1C1CCN(c2nc(-c3ccncc3)nc3c2CCC3)C1
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, and 16 aromatic bonds.",C[NH+]1CCN(C2=[NH+]c3cc(F)ccc3Nc3sc4ccccc4c32)CC1
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,CC(C)(C)Cc1cncn1-c1ccccc1C[NH3+]
AddComponent,Please add a hydroxyl to the molecule O=C(Cc1cccs1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1.,O=C(Cc1cccs1)Nc1ccc(N2C(=O)c3ccc(O)cc3C2=O)cc1
SubComponent,Substitute a COc1ccc(C=CC(=O)c2ccn(C)n2)cc1COc1cc(C)c(Cl)cc1C(C)C in the molecule halo with a nitrile.,COc1ccc(C=CC(=O)c2ccn(C)n2)cc1COc1cc(C)c(C#N)cc1C(C)C
DelComponent,Remove a halo from the molecule COc1ccc(N2CC(C(=O)Nc3cccc(Cl)c3N(C)C)CC2=O)cc1.,COc1ccc(N2CC(C(=O)Nc3ccccc3N(C)C)CC2=O)cc1
LogP,Modify the molecule CC(=O)Nc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 to have a lower LogP value.,CC(=O)Nc1ccc(Cl)cc1NC(=O)C1CCN(C(N)=O)CC1
MR,Optimize the molecule CCCN(CC(=O)OC)C(=O)c1ccc(F)cc1Cl to have a higher MR value.,CCCN(CC(=O)OC)C(=O)c1ccc(O)cc1Cl
QED,Please modify the molecule COc1ccccc1-c1cc(-c2cc(Cl)c(C)cc2OCC(=O)[O-])nn1Cc1ccccc1 to increase its QED value.,COc1ccccc1-c1cc(-c2cc(Cl)c(C)cc2OCC(=O)[O-])nn1Cc1cccc(O)c1
AtomNum,"There is a molecule with 10 carbon atoms, and 2 nitrogen atoms.",CC[NH+]1CCC2(CC[NH2+]CC2)C1
BondNum,"The molecule contains 12 single bonds, 4 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CC(=O)c1c(C)[nH]c(C(=O)C(C)OC(=O)C=Cc2cccc(F)c2)c1C
FunctionalGroup,"There is a molecule with 1 ester group, and 3 halo groups.",CCOC(=O)Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3c(C)ccc3C)cc21
AddComponent,Add a hydroxyl to the molecule COC1(C(=O)Cc2ccc(C)cc2Cl)CCCC1.,COC1(C(=O)Cc2ccc(C)cc2Cl)CCCC1O
SubComponent,Modify the molecule halo by substituting a CC(C)(C)[NH2+]CC(C)(Cc1ccc(F)cc1F)C1CC1 with a nitro.,CC(C)(C)[NH2+]CC(C)(Cc1ccc(NO)cc1F)C1CC1
DelComponent,Remove a CCc1noc(C[NH+]2CCC3(CC2)CC(=O)N(Cc2cccc(OC)c2)C3)n1 from the molecule amide.,CCc1noc(C[NH+]2CCC(CCc3cccc(OC)c3)CC2)n1
LogP,Please modify the molecule CC(SCc1ccc(CO)cc1)c1nc(-c2ccccc2)no1 to increase its LogP value.,Cc1ccc(CSC(C)c2nc(-c3ccccc3)no2)cc1
MR,Optimize the molecule [CH]CI to have a lower MR value.,[CH]C
QED,Modify the molecule OCC1OC(OC2C(OC3C(OCC4OC(O)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C1O to increase its QED value.,OCC1OC(OC2C(OC3C(OCC4OC(O)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)OC(CO)(c4ccccc4)C(O)C3O)OC(CO)C(O)C2O)C(O)C1O
AtomNum,"The molecule is composed of 17 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CC1CCCCC12NC(=O)N(CC(=O)N(C)C1CCN(C)C1=O)C2=O
BondNum,"There is a molecule consisting of 7 single bonds, 6 rotatable bonds, and 16 aromatic bonds.",C[NH2+]C(CCc1ccco1)Cc1ccc2ccccc2n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 sulfide group.",CCOc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc3cc(OC)ccc3s2)cc1
AddComponent,Please add a hydroxyl to the molecule CC(=O)N(Cn1cccn1)c1ccc(C)c(Cl)c1C.,CC(=O)N(c1ccc(C)c(Cl)c1C)C(O)n1cccn1
SubComponent,Modify the molecule halo by substituting a CC(C)(C)c1ccc(CC(C(N)=O)(c2ccc(F)c(Cl)c2)n2ccc3ccnc(C(=O)[O-])c32)cc1 with a thiol.,CC(C)(C)c1ccc(CC(C(N)=O)(c2ccc(S)c(Cl)c2)n2ccc3ccnc(C(=O)[O-])c32)cc1
DelComponent,Please remove a O=C([O-])CSc1nnc(NC(=O)C(F)(F)C(F)(F)F)s1 from the molecule halo.,O=C([O-])CSc1nnc(NC(=O)C(F)(F)C(F)F)s1
LogP,Please modify the molecule CCN(C)C=[NH+]c1cc(C)c(C(=O)COc2ccccc2)cc1C to increase its LogP value.,CCN(C)C=[NH+]c1cc(Cc2ccccc2)c(C(=O)COc2ccccc2)cc1C
MR,Please modify the molecule COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)C(C)=CCCc2cc(OC(C)=O)cc(c2OC(C)=O)NC(=O)C1 to decrease its MR value.,COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)CC(C)=CCCc2cc(OC(C)=O)cc(c2OC(C)=O)NC(=O)C1
QED,Modify the molecule COC(=O)CNC(=O)C1OC(OC)C(O)C1O to increase its QED value.,CC(=O)C1C(OC)OC(C(=O)NCC(=O)OC)C1O
AtomNum,"Please generate a molecule with 22 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 8 rotatable bonds, and 16 aromatic bonds.",COc1ccc(OC)c(C(C)NC(=O)CCc2nc(-c3ccsc3)no2)c1
FunctionalGroup,Please generate a molecule with and 1 amide group.,CCc1ccc2occ(C(=O)NC3(C(=O)[O-])CC3)c2c1
AddComponent,Add a hydroxyl to the molecule Cc1cc2c(cc1C)CN(c1ccc(C(=O)NN=Cc3ccc(Cl)cc3Cl)cc1)C2.,Cc1cc2c(cc1C)CN(c1ccc(C(=O)NN=Cc3ccc(Cl)cc3Cl)c(O)c1)C2
SubComponent,Substitute a hydroxyl in the molecule COc1ccc(C(C)NC(=O)Cc2ccccc2O)cc1 with a halo.,COc1ccc(C(C)NC(=O)Cc2ccccc2F)cc1
DelComponent,Remove a benzene ring from the molecule CC=CC1=C(C)N=C(c2cc(CC(C)C)cc(CC(C)C)c2)CC1.,CC=CC1=C(C)N=C(C(CC(C)C)C(C)C)CC1
LogP,Modify the molecule CCc1ccc(N2C[NH+](Cc3ccc4c(c3)OCO4)Cn3c2nc(C)c(Cc2ccccc2)c3=O)cc1 to decrease its LogP value.,CCc1ccc(N2C[NH+](Cc3ccc4c(c3)OCO4)Cn3c2nc(C)c(C)c3=O)cc1
MR,Please modify the molecule O=C1NC2=C(C(=O)N(CCO)C2)C(c2ccc([N+](=O)[O-])cc2)N1 to increase its MR value.,O=C1NC2=C(C(=O)N(CCO)C2)C(c2ccc([N+](=O)[O-])c(-c3ccccc3)c2)N1
QED,Please modify the molecule COC(=O)CC[NH2+]C(C)CC[NH+](C)C to increase its QED value.,COC(=O)CC[NH2+]C(C)CC[NH+](C)Cc1ccccc1
AtomNum,"There is a molecule composed of 16 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CC(=O)Nc1nnc(S(=O)(=O)CC(=O)C23CC4CC(CC(C4)C2)C3)s1
BondNum,"The molecule has 11 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(Cl)c(NC(=O)CSCCCc2ccccc2)c1Cl
FunctionalGroup,The molecule contains and 1 amine group.,Cc1c(C)c(C)c2c(c1C)N[Si](C)(C)OC2(C)C
AddComponent,Please add a hydroxyl to the molecule CC(C)(c1ccc(F)cc1)C(O)C(=O)[O-].,CC(C)(c1ccc(F)cc1O)C(O)C(=O)[O-]
SubComponent,Substitute a CC(C)(OCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] in the molecule halo with a thiol.,CC(C)(OCc1cc2cc(S)ccc2n1S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]
DelComponent,Modify the molecule benzene ring by removing a CC(=O)N(Cc1ccc(Cl)cc1)Cc1cccc(-c2sc(C(=O)[O-])c(OCC(=O)[O-])c2C)c1.,CC(=O)N(CCl)Cc1cccc(-c2sc(C(=O)[O-])c(OCC(=O)[O-])c2C)c1
LogP,Please modify the molecule Cn1c(=O)c2c(nc(Cl)n2CC(=O)N2CCCC(C(N)=O)C2)n(C)c1=O to increase its LogP value.,Cn1c(=O)c2c(nc(Cl)n2CC(=O)N2CCCC2)n(C)c1=O
MR,Modify the molecule CN(C(=O)C([NH3+])C(C)(C)O)C(Cc1ccccc1)c1ccccc1 to have a higher MR value.,CN(C(=O)C([NH3+])C(C)(C)S)C(Cc1ccccc1)c1ccccc1
QED,Please modify the molecule CC(C)C(NC(=O)CCCSc1ccc(Cl)cc1)C(C)C to increase its QED value.,CC(C)C(CCSc1ccc(Cl)cc1)C(C)C
AtomNum,"Please generate a molecule composed of 29 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CCCOc1ccc(NC(=O)C2CC(=O)N(Cc3ccc4c(c3)OCO4)C(=[NH+]c3cccc(C(F)(F)F)c3)S2)cc1
BondNum,"The molecule has 11 single bonds, 2 rotatable bonds, and 10 aromatic bonds.",CC1C[NH+](C)CCC1Nc1cc2[nH]ncc2cc1N
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, 1 amine group, and 1 halo group.",CC(C)[NH2+]CCC(O)c1ccc(Br)c(N)c1
AddComponent,Please add a benzene ring to the molecule CCC(CC)(c1ccc2nc(C)oc2c1)c1c[nH]c2c(NS(C)(=O)=O)cccc12.,CCC(CC)(c1ccc2nc(Cc3ccccc3)oc2c1)c1c[nH]c2c(NS(C)(=O)=O)cccc12
SubComponent,Substitute a Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccccc2F)s1 in the molecule halo with a aldehyde.,CC(=O)c1ccccc1C1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1nnc(C)s1
DelComponent,Please remove a benzene ring from the molecule CN(C)c1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1.,CN(C)CNC(=O)c1ccc(-n2cccc2)cc1
LogP,Modify the molecule Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)C(C)C)cc1 to decrease its LogP value.,Cc1ccc(N(CC(=O)NCCc2ccc(NO)cc2)C(C)C)cc1
MR,Optimize the molecule Cc1ccc2nc(CNc3nc(-c4cccnc4)nc4c3CC[NH2+]C4)[nH]c2c1 to have a lower MR value.,Cc1ccc2nc(Cc3nc(-c4cccnc4)nc4c3CC[NH2+]C4)[nH]c2c1
QED,Please optimize the molecule C[NH2+]Cc1cccc(Br)c1OCc1ccc(F)cc1 to have a lower QED value.,C[NH2+]Cc1cccc(O)c1OCc1ccc(F)cc1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 3 fluorine atoms.",Cn1c(C(F)(F)F)nc2cc(C(=O)OCCn3cccn3)ccc21
BondNum,"Please generate a molecule with 12 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",Cc1ccc(S(=O)(=O)n2c(N3CC[NH+](C)CC3)c(I)c3ccccc32)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 2 halo groups, and 1 sulfone group.",Cc1ccc(S(=O)(=O)CCC(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1
AddComponent,Modify the molecule CC(C)Oc1cc(C[NH+]2CCC([NH3+])CC2)cc(OC(C)C)c1 by adding a hydroxyl.,CC(C)Oc1cc(C[NH+]2CCC([NH3+])CC2)cc(OC(C)CO)c1
SubComponent,Substitute a halo in the molecule COC(=O)CC1CCCC(c2ccc(C3=CC=C(c4nc5cc(Cl)c(Cl)cc5[nH]4)CC3)cc2)CC1 with a nitrile.,COC(=O)CC1CCCC(c2ccc(C3=CC=C(c4nc5cc(C#N)c(Cl)cc5[nH]4)CC3)cc2)CC1
DelComponent,Modify the molecule amine by removing a Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cnc[nH]3)cc2)cc1C.,Cc1cc(C)c(S(=O)(=O)c2ccc(-c3cnc[nH]3)cc2)cc1C
LogP,Optimize the molecule COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)c1ccc(Cl)cc1)c1ccccc1 to have a lower LogP value.,COc1ccc(C(=O)[OH])cc1S(=O)(=O)N(CC(=O)NN=C(C)c1ccc(Cl)cc1)c1ccccc1
MR,Modify the molecule COc1c(C[NH+](C)C)cccc1C(C)(C)O to decrease its MR value.,COc1c(C[NH+](C)C)cccc1C(C)C
QED,Modify the molecule COc1nc(CNC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)n1 to decrease its QED value.,COc1nc(CNC(=O)COc2ccc(S)cc2Cl)nc(N(C)C)n1
AtomNum,"There is a molecule with 34 carbon atoms, 5 oxygen atoms, and 5 nitrogen atoms.",C=CCN(C(=O)NCc1ccccc1)[NH+]1CC(=O)N2C(Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c3OC(C)C4)CC21
BondNum,"Please generate a molecule composed of 13 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",O=C([O-])C1CN(C(=O)Nc2cccc(C(F)(F)F)c2)C1
FunctionalGroup,The molecule consists of and 2 benzene ring groups.,CCOP(=O)(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C
AddComponent,Add a benzene ring to the molecule CCCCN1C(=O)NC(c2cccc(NC(=O)NCC(=O)OCC)c2)C(C(=O)OC)=C1C.,CCCCN1C(=O)NC(c2ccccc2)(c2cccc(NC(=O)NCC(=O)OCC)c2)C(C(=O)OC)=C1C
SubComponent,Substitute a nitrile in the molecule CC[NH+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccs1 with a hydroxyl.,CC[NH+](CC(=O)Nc1cc(Cl)ccc1O)Cc1cccs1
DelComponent,Please remove a benzene ring from the molecule CCCNC(=O)c1cc(Nc2ccccc2OC)nc(C)n1.,CCCNC(=O)c1cc(NOC)nc(C)n1
LogP,Modify the molecule CCC(C)C(=O)OCCOCS(=O)(=O)[O-] to increase its LogP value.,CCC(C)C(=O)OCC(OCS(=O)(=O)[O-])c1ccccc1
MR,Modify the molecule CCOCC(O)C[NH+]1CCCC1 to have a lower MR value.,CCOCCC[NH+]1CCCC1
QED,Modify the molecule C=C1C(=O)C23CCC1CC2C12CCCC(C)(C)C1CC3OC2N(C=O)CCO to decrease its QED value.,C=C1C(=O)C23CCC1CC2C12CCCC(C)(C)C1CC3OC2N(C=O)CC
AtomNum,"There is a molecule composed of 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CC(C)c1nc(COCCOC(N)=O)n(C)c1Sc1cc(Cl)cc(Cl)c1
BondNum,"There is a molecule composed of 12 single bonds, 3 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCc2ccsc2)c1C
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amide groups, 2 halo groups, and 1 sulfide group.",O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NCc1ccc(F)cc1F
AddComponent,Add a hydroxyl to the molecule O=C(COC(=O)c1cc(Br)c(Br)s1)Nc1ccc(F)cc1Cl.,O=C(COC(=O)c1cc(Br)c(Br)s1)Nc1ccc(F)c(O)c1Cl
SubComponent,Please substitute a halo in the molecule O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C1=O with a carboxyl.,O=C1Nc2ccc(-c3cccc(C(=O)[OH])c3)cc2C1=O
DelComponent,Please remove a CC[NH+](CC)Cc1ccc(C[NH+]=C(N)N2CCC(C)CC2)cc1 from the molecule amine.,CC[NH+](CC)Cc1ccc(C[NH+]=CN2CCC(C)CC2)cc1
LogP,Optimize the molecule O=C(C[NH+]1CCCC1c1ccccc1)NCC1COc2ccccc2O1 to have a lower LogP value.,O=C(C[NH+]1CCCC1)NCC1COc2ccccc2O1
MR,Modify the molecule Cc1ccc(C)c(C(=O)C(C)OC(=O)c2ncc(Cl)c(Cl)c2Cl)c1 to increase its MR value.,CC(=O)c1cnc(C(=O)OC(C)C(=O)c2cc(C)ccc2C)c(Cl)c1Cl
QED,Optimize the molecule CCCC(C)n1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O to have a lower QED value.,CCCC(C)n1cc([SH](=O)=O)c(=O)[nH]c1=O
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CN(Cc1cc(-c2cccnc2)no1)C(=O)NCC1(C)CC[NH+](C)C1
BondNum,"The molecule has 15 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1cc(Cl)ccc1N1CC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1=O
FunctionalGroup,The molecule has and 1 benzene ring group.,CC[NH2+]C(CN(C)C1CCCCC1)c1ccc(C)c(C)c1
AddComponent,Please add a benzene ring to the molecule COCC(C[NH2+]CCOc1ccccc1OC)OC.,COCC(C[NH2+]CCOc1cccc(-c2ccccc2)c1OC)OC
SubComponent,Substitute a halo in the molecule CC(C)CCNC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 with a nitro.,CC(C)CCNC(=O)c1ccc(C(=O)Nc2cc(NO)ccc2Cl)cc1
DelComponent,Please remove a benzene ring from the molecule Cc1ccc2c(CC(=O)N(Cc3ccncc3)C(C)C)c(-c3ccccc3)[nH]c2c1.,Cc1ccc2c(CC(=O)N(Cc3ccncc3)C(C)C)c[nH]c2c1
LogP,Modify the molecule Cc1c(C(=O)Cl)ccc2c1CCCO2 to have a lower LogP value.,Cc1c(C=O)ccc2c1CCCO2
MR,Modify the molecule CC(CO)CC(C)COC(C)(C)C to have a higher MR value.,CC(COC(C)(C)C)CC(C)(N)CO
QED,Please optimize the molecule CCOC(=O)c1c(NC(C)=O)sc2c(O)c(Sc3ccccc3)ccc12 to have a lower QED value.,CCOC(=O)c1c(NC(C)=O)sc2c(O)c(S)ccc12
AtomNum,"There is a molecule consisting of 20 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 fluorine atom, 1 boron atom, and 1 silicon atom.",CC1(C)OB(c2ccc(-c3ncn(COCC[Si](C)(C)C)n3)c(F)c2)OC1(C)C
BondNum,"There is a molecule composed of 9 single bonds, 5 rotatable bonds, and 18 aromatic bonds.",COc1ccccc1Nc1ncnc(Nc2cc(C)ccc2C)c1N
FunctionalGroup,"The molecule contains 2 halo groups, 1 sulfide group, and 1 sulfone group.",CCCCN(CC1CCC[NH2+]1)S(=O)(=O)c1cc(Br)sc1Br
AddComponent,Please add a carboxyl to the molecule Clc1ccc(COc2c(Br)cc(C=NNc3ccccc3)cc2Br)c(Cl)c1.,O=C(O)c1c(C=NNc2ccccc2)cc(Br)c(OCc2ccc(Cl)cc2Cl)c1Br
SubComponent,Substitute a halo in the molecule Cc1ccc2nc(C)cc(C(=O)OCC(=O)N(CC(F)(F)F)C(C)C3CC3)c2c1 with a aldehyde.,CC(=O)C(F)(F)CN(C(=O)COC(=O)c1cc(C)nc2ccc(C)cc12)C(C)C1CC1
DelComponent,Please remove a hydroxyl from the molecule CCC1(OCc2ccc(NC(=O)OC3CCCC4(C3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC2C[NH+](CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CC[NH+]6CCC43C65)C2)C1.,CCC1(OCc2ccc(NC(=O)OC3CCCC4(C3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC2C[NH+](CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(C(=O)OC)C(OC(C)=O)C5(CC)C=CC[NH+]6CCC43C65)C2)C1
LogP,Optimize the molecule COC(=O)c1cc(OC)cc(F)n1 to have a higher LogP value.,CC(=O)c1cc(OC)cc(C(=O)OC)n1
MR,Modify the molecule COc1ccc(CNc2cccc(-c3n[nH]c(C)n3)c2)cc1OC(F)F to have a lower MR value.,COc1ccc(CNc2n[nH]c(C)n2)cc1OC(F)F
QED,Optimize the molecule CSc1ccc(C(C)NC(=O)c2ccc(F)c(Br)c2)cc1 to have a higher QED value.,CSc1ccc(C(C)NC(=O)c2cccc(Br)c2)cc1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC1CC(C(=O)[O-])C[NH+](CC(=O)N(C)C2CCCCC2C)C1
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 1 rotatable bond, and 16 aromatic bonds.",Cn1ccc2c(N3CC4CCCN4c4nc(N)ncc4C3=O)cn(C)c2c1=O
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCOC2(CCC2)C1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(Br)cc1C[NH+](C)C(C)C(=O)Nc1ccc(C(N)=O)cc1.,COc1ccc(Br)cc1C[NH+](CO)C(C)C(=O)Nc1ccc(C(N)=O)cc1
SubComponent,Substitute a halo in the molecule CC(Oc1ccccc1Cl)C(=O)NCCn1cnc(-c2ccccc2)cc1=O with a nitrile.,CC(Oc1ccccc1C#N)C(=O)NCCn1cnc(-c2ccccc2)cc1=O
DelComponent,Remove a CN(C(=O)NC1CC1c1ccccc1F)C1C[NH2+]CC1O from the molecule halo.,CN(C(=O)NC1CC1c1ccccc1)C1C[NH2+]CC1O
LogP,Modify the molecule CC(C)(C)OC(=O)c1cc(Cl)c(OCC2(F)CCCCC2)cc1F to have a lower LogP value.,CC(C)(C)OC(=O)c1cc(S)c(OCC2(F)CCCCC2)cc1F
MR,Modify the molecule O=C1CSC(=S)N1C1CC2CCC1C2 to increase its MR value.,NC12CCC(C1)C(N1C(=O)CSC1=S)C2
QED,Optimize the molecule CCN1c2cc(OC(F)F)ccc2C(C#N)C1c1ccc(N2CCCC2=O)cc1 to have a higher QED value.,CCN1c2cc(OC(F)F)ccc2C(C#N)C1N1CCCC1=O
AtomNum,"There is a molecule composed of 18 carbon atoms, and 2 oxygen atoms.",CCCCC=CC(C)CCCCCCCCOC(C)=O
BondNum,"There is a molecule with 13 single bonds, 4 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",Cc1nccn1-c1cc(CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccn1
FunctionalGroup,"There is a molecule consisting of 1 ketone group, and 3 ester groups.",CC=C(C)C(=O)OC1C=C(C)C(=O)C(OC(C)=O)C1C(C)CC(C=C(C)C)OC(C)=O
AddComponent,Please add a carboxyl to the molecule C[NH+](C)C12CC3(C)CC1CC3(C)C2.,C[NH+](C)C12CC3(C)CC1CC3(C)C2C(=O)O
SubComponent,Modify the molecule halo by substituting a CC(C)CC(NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2cccc3ccccc23)n1C with a carboxyl.,CC(C)CC(NC(=O)c1ccccc1C(=O)[OH])c1nnc(SCC(=O)Nc2cccc3ccccc23)n1C
DelComponent,Remove a O=C(NC1=CS(=S(=O)=O)C=N1)Oc1ccc(Br)c(Cl)c1 from the molecule halo.,O=C(NC1=CS(=S(=O)=O)C=N1)Oc1ccc(Br)cc1
LogP,Optimize the molecule COc1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1Cl to have a lower LogP value.,COc1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1
MR,Optimize the molecule O=C(CSCCO)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 to have a higher MR value.,Nc1cc(-c2csc(NC(=O)CSCCO)n2)ccc1C1CCCCC1
QED,Please modify the molecule COCCN(c1ccc(C[NH2+]CC(C)C)cc1F)C1CC1 to decrease its QED value.,CC(=O)c1cc(C[NH2+]CC(C)C)ccc1N(CCOC)C1CC1
AtomNum,"There is a molecule composed of 11 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",CCN(OCc1ccccc1)C(=O)C(F)(F)F
BondNum,"The molecule contains 13 single bonds, 2 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",CCCOc1ccc(C[NH2+]C)c(OCCS(=O)(=O)CC)c1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amide group.",COc1ccc(C(CNC(=O)C(C)(C)C)[NH+]2CCCCC2)cc1
AddComponent,Modify the molecule COC(=O)C(C)C(C)[NH2+]Cc1ncn(C)n1 by adding a benzene ring.,COC(=O)C(C)C(Cc1ccccc1)[NH2+]Cc1ncn(C)n1
SubComponent,Please substitute a hydroxyl in the molecule Oc1ccc2c(c1)CCCC2Nc1ccc(Br)c(F)c1 with a nitrile.,N#Cc1ccc2c(c1)CCCC2Nc1ccc(Br)c(F)c1
DelComponent,Remove a Cc1ccncc1NC(=O)c1cccc(C)c1O from the molecule benzene ring.,COC(=O)Nc1cnccc1C
LogP,Please optimize the molecule CC(=O)OCC(O)CC(F)P(=O)([O-])[O-] to have a lower LogP value.,CC(=O)OCC(O)CC(C#N)P(=O)([O-])[O-]
MR,Please optimize the molecule CCCc1cc(C(CC)C(CC)c2ccc(O)c(CCC)c2)ccc1O to have a lower MR value.,CCCc1cccc(C(CC)C(CC)c2ccc(O)c(CCC)c2)c1
QED,Modify the molecule CC([NH3+])(CCc1ccc(C(=O)CCCCCc2ccccc2)s1)COP(=O)([O-])[O-] to decrease its QED value.,[NH3+]C(CO)(CCc1ccc(C(=O)CCCCCc2ccccc2)s1)COP(=O)([O-])[O-]
AtomNum,"The molecule has 17 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COc1ccc(-c2nc(NC(=O)C3CCC([NH3+])C3)sc2C)cc1
BondNum,"The molecule consists of 4 single bonds, 1 double bond, 1 rotatable bond, and 17 aromatic bonds.",Cn1c(=O)nc(N)c2nc(-c3ccccc3)c(Cl)nc21
FunctionalGroup,"The molecule contains 2 amide groups, 1 amine group, and 2 sulfone groups.",Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])ccc23)n(C)c1
AddComponent,Add a hydroxyl to the molecule CC(=C1C=CC2ON(c3ccccc3)C(C(=O)c3ccc(C)cc3)C12)c1ccccc1.,CC(=C1C=CC2ON(c3ccccc3)C(O)(C(=O)c3ccc(C)cc3)C12)c1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1c(C(=O)NC(CC(=O)[O-])c2ccc(Cl)cc2)oc2c1C(=O)CCC2 with a carboxyl.,Cc1c(C(=O)NC(CC(=O)[O-])c2ccc(C(=O)[OH])cc2)oc2c1C(=O)CCC2
DelComponent,Remove a benzene ring from the molecule C=CC(=O)OCOc1ccc(C2(c3ccc(OCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.,C=CC(=O)OCOc1ccc(C2(OCOC(=O)C=C)c3ccccc3-c3ccccc32)cc1
LogP,Please modify the molecule COc1ccc(Br)c(CC([NH3+])c2cc3ccccc3s2)c1 to decrease its LogP value.,CC(=O)c1ccc(OC)cc1CC([NH3+])c1cc2ccccc2s1
MR,Modify the molecule CCOc1ccc(-c2ccc([O-])c3c2CC2CC4C([NH+](C)C)C(=O)C(C(N)=O)C(=O)C4(O)C(=O)C2C3=O)cc1 to have a higher MR value.,CCOc1ccc(-c2ccc([O-])c3c2CC2CC4C([NH+](C)C)C(=O)C(C(N)=O)C(=O)C4(I)C(=O)C2C3=O)cc1
QED,Modify the molecule Cc1cc(=O)c2ccccc2n1CC(=O)NCCc1nncn1C(C)C to have a lower QED value.,Cc1cc(=O)c2cc(O)ccc2n1CC(=O)NCCc1nncn1C(C)C
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 bromine atoms.",C[NH2+]C(C)c1ccc(Oc2cc(Br)c(OC)cc2Br)nc1
BondNum,"Please generate a molecule with 8 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 2 amide groups, and 1 halo group.",Cc1ccc(C)c(OCC(=O)NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C)c1
AddComponent,Add a carboxyl to the molecule Cc1ccccc1-n1c(Cc2ccccc2)nnc1SCCCCC(=O)N1CCN(C(=O)c2ccccc2F)C(C)C1.,Cc1ccccc1-n1c(Cc2ccccc2)nnc1SCCCCC(=O)N1CCN(C(=O)c2ccccc2F)C(C)(C(=O)O)C1
SubComponent,Modify the molecule [NH3+]C1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(S(=O)(=O)N2CCCC([NH3+])C2)cc1C(F)(F)F
DelComponent,Modify the molecule CC(C)Oc1ccc(C=NNC(=O)c2ccccc2O)c(O)c1 by removing a amide.,CC(C)Oc1ccc(C=Nc2(O)cccc-2)c(O)c1
LogP,Optimize the molecule Nc1cc(CSC2CCCC2)ccc1Cl to have a lower LogP value.,Nc1cc(CSC2CCCC2)ccc1NO
MR,Please modify the molecule Cc1ccc(C(C)P(C)(C)=O)cn1 to increase its MR value.,CC(c1ccc(Cc2ccccc2)nc1)P(C)(C)=O
QED,Please optimize the molecule CCCOCCOCCOC(=O)C(CC)C(CC)C(=O)OCCOCCOCCC to have a lower QED value.,CCCOCCOCCOC(=O)C(CC)C(CCO)C(=O)OCCOCCOCCC
AtomNum,"The molecule has 15 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CN1C(=O)C(C)(C)c2cc(C([NH3+])C3CC3)ccc21
BondNum,"The molecule has 13 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC(=CC(=O)c1ccc(F)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ester group, 1 amide group, and 1 halo group.",COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1cccc(Cl)c1)CC2
AddComponent,Add a amine to the molecule C=Cn1cc(CNc2ccc(Cl)c(Cl)c2)cn1.,C=Cn1cc(C(N)Nc2ccc(Cl)c(Cl)c2)cn1
SubComponent,Modify the molecule hydroxyl by substituting a CC(CCO)SC(C)C(=O)NN with a halo.,CC(CCCl)SC(C)C(=O)NN
DelComponent,Modify the molecule halo by removing a Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2cccc(Br)c2)cc1.,Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccccc2)cc1
LogP,Modify the molecule CCOc1ccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(-c3cccc(F)c3)c2C)cc1 to have a lower LogP value.,CCON1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2cccc(F)c2)c1C
MR,Optimize the molecule CCC[NH2+]CCCn1cc(S(=O)(=O)NC2CC2(C)C)cn1 to have a lower MR value.,CCC[NH2+]CCCn1cc(S(=O)(=O)C2CC2(C)C)cn1
QED,Please optimize the molecule COc1cccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2)c1 to have a lower QED value.,COc1cccc(NC(=O)CSC2=NS(=O)(=O)c3ccc(N)cc3N2)c1
AtomNum,"Please generate a molecule composed of 26 carbon atoms, and 5 oxygen atoms.",CCC(C(=O)OCCO)(c1ccc(O)c(C(C)(C)C)c1)c1ccc(O)c(C(C)(C)C)c1
BondNum,"The molecule consists of 12 single bonds, 6 rotatable bonds, and 16 aromatic bonds.",Cc1ccc(OCC(O)Cn2c(C3CC3)nc3ccccc32)cc1C
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 1 amide group.",CCC(CC)C(O)CNC(=O)c1ccc2c(c1)CCO2
AddComponent,Modify the molecule CCCOC1CCCN(C(C)C([NH3+])c2ccc(F)cc2)C1 by adding a hydroxyl.,CCCOC1CCCN(C(C)C([NH3+])c2ccc(F)cc2)C1O
SubComponent,Substitute a halo in the molecule CC(O)C(C)(C)NC(=O)CCc1ccc(Cl)cc1Cl with a nitrile.,CC(O)C(C)(C)NC(=O)CCc1ccc(C#N)cc1Cl
DelComponent,Please remove a benzene ring from the molecule C(=NCc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1)c1cccs1.,C(=NCc1cc(N2CCOCC2)n2nccc2n1)c1cccs1
LogP,Please optimize the molecule CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1 to have a lower LogP value.,CCCCCCOc1ccc(O)cc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1
MR,Optimize the molecule CS(=O)(=O)CCC([NH3+])C(=O)NCCCc1ccc(Cl)cc1 to have a higher MR value.,CS(=O)(=O)CCC([NH3+])C(=O)NCCCc1ccc(S)cc1
QED,Please optimize the molecule COc1cccc(N2CCC(C[NH+]=C(N)N3CCCCC3)C2)c1 to have a lower QED value.,COc1cccc(N2CCC(C[NH+]=C(N)N3CCCCC3)C2c2ccccc2)c1
AtomNum,"The molecule is composed of 36 carbon atoms, 3 oxygen atoms, and 6 nitrogen atoms.",CC(=O)CCCCCC(NC(=O)c1ccccc1)C(=O)Nc1ccc(-c2cc3c(NC(C)c4ccccc4)ncnc3[nH]2)cc1
BondNum,"The molecule contains 12 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",O=C(NC1CCC[NH2+]C1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ester group, 1 amide group, and 3 halo groups.",COc1cccc(C(=O)OCC(=O)Nc2ccc(I)cc2)c1OC(F)F
AddComponent,Please add a amine to the molecule CCCN(CCc1cccs1)C(=O)C1CCCN1C(N)=O.,CCCN(CCc1cc(N)cs1)C(=O)C1CCCN1C(N)=O
SubComponent,Please substitute a halo in the molecule Cc1cc(Cl)c(-n2c(N)nc3c(F)cccc32)cc1Cl with a nitrile.,Cc1cc(C#N)c(-n2c(N)nc3c(F)cccc32)cc1Cl
DelComponent,Remove a benzene ring from the molecule Cn1cccc1C(=O)OC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1.,Cn1cccc1C(=O)OC(C(=O)N(Cl)[N+](=O)[O-])c1ccccc1
LogP,Please modify the molecule Cc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)nn1C to increase its LogP value.,Cc1c-n(C(C)c2nc3ccccc3[nH]2)n1C
MR,Modify the molecule O=C(NC1CCCN(C(=O)Nc2cccc3cccnc23)C1)c1ccc(F)cc1 to increase its MR value.,O=C([OH])c1ccc(C(=O)NC2CCCN(C(=O)Nc3cccc4cccnc34)C2)cc1
QED,Modify the molecule COc1cc(COc2ccc(N)nn2)cc(OC)c1 to decrease its QED value.,COc1cc(COc2cccnn2)cc(OC)c1
AtomNum,"The molecule consists of 18 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COc1ccc(OCCCOc2ccc(C#N)cc2OC)cc1
BondNum,"There is a molecule composed of 4 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",O=C([O-])c1cnn(Cc2ccno2)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 halo group, 2 thioether groups, and 1 sulfide group.",CCC([NH3+])C(SC(C)C(C)O)c1ccccc1Cl
AddComponent,Add a carboxyl to the molecule C=C(C)C[NH2+]Cc1cnc(C)s1.,C=C(C)C[NH2+]Cc1cnc(CC(=O)O)s1
SubComponent,Modify the molecule O=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CC[NH+](CCO)CC1 by substituting a hydroxyl with a nitro.,ONCC[NH+]1CCC(C(=O)NC(c2ccc(Cl)cc2)c2ccccn2)CC1
DelComponent,Modify the molecule CC(O)(CSc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 by removing a halo.,CC(O)(CSc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])c(C(F)F)cc2[nH]1
LogP,Modify the molecule CC(C)C[NH2+]CCn1c(Cc2cc3c(cc2CC#N)OCCO3)nc2c(N)nc(F)nc21 to decrease its LogP value.,CC(C)C[NH2+]CCn1c(Cc2cc3c(cc2CC#N)OC(O)CO3)nc2c(N)nc(F)nc21
MR,Optimize the molecule CCC(=O)c1ccc(N2CCC(F)(F)C2)cc1 to have a lower MR value.,CCC(=O)N1CCC(F)(F)C1
QED,Please optimize the molecule COc1c(Cl)cc(C2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1Cl to have a higher QED value.,COc1ccc(C2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1Cl
AtomNum,"The molecule is composed of 17 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CCOc1cc(CNc2ncnc3sc4c(c23)CCC4)ccn1
BondNum,"Please generate a molecule composed of 3 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",O=C(Oc1ccc2nccn2c1)c1ccccc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, 1 halo group, 1 thioether group, and 1 sulfide group.",O=C(CSc1nnnn1C1CC1)N1CCN(C(=O)c2ccccc2F)CC1
AddComponent,Modify the molecule Cn1cc(CNC(=O)N2CCCC(S(=O)(=O)N3CCOCC3)C2)cn1 by adding a hydroxyl.,Cn1cc(CNC(=O)N2CCCC(S(=O)(=O)N3CCOCC3O)C2)cn1
SubComponent,Modify the molecule halo by substituting a O=c1[nH]nc(SCCS(=O)(=O)c2ccc(F)cc2)n1-c1cccnc1 with a aldehyde.,CC(=O)c1ccc(S(=O)(=O)CCSc2n[nH]c(=O)n2-c2cccnc2)cc1
DelComponent,Modify the molecule COc1ccc(C(N)=S)c(N2CCCC3CCCCC32)c1 by removing a amine.,COc1ccc(C=S)c(N2CCCC3CCCCC32)c1
LogP,Please optimize the molecule CCC[NH2+]Cc1cccc(C)c1OCCC1CCCO1 to have a lower LogP value.,CCC[NH2+]C(C)OCCC1CCCO1
MR,Please optimize the molecule CC(C)COCCOc1cc(N)nc(C(F)(F)F)n1 to have a higher MR value.,CC(C)COCCOc1cc(N)nc(C(O)(F)F)n1
QED,Modify the molecule CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCC(=O)c1cccs1 to have a higher QED value.,CCN(CC(=O)Nc1ccccc1C)C(=O)CCC(=O)c1cccs1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 2 sulfur atoms.",CCc1nnc(NC(=O)CSc2nnc(C(C)Oc3cccc(OC)c3)n2C(C)C)s1
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",COc1ccc2c(c1)CCCN2C(=O)CSc1nnnn1C
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, 1 amine group, and 2 halo groups.",COc1ccc(CNC(=O)CNc2ccc(F)c(Cl)c2)cc1
AddComponent,Add a carboxyl to the molecule CC1(Cc2ccc(-c3ccccc3)cc2)CCC[NH2+]1.,CC1(Cc2ccc(-c3ccccc3)c(C(=O)O)c2)CCC[NH2+]1
SubComponent,Substitute a halo in the molecule COc1cc(C(Cl)c2ccc(Cl)s2)cc(OC)c1OC with a nitrile.,COc1cc(C(C#N)c2ccc(Cl)s2)cc(OC)c1OC
DelComponent,Remove a CCC[NH+]1CCC(OC(=O)NC(=[NH+]C(CC(C)(C)C)C(=O)NC2(C#N)CCCC2)N2CCOCC2)CC1 from the molecule nitrile.,CCC[NH+]1CCC(OC(=O)NC(=[NH+]C(CC(C)(C)C)C(=O)NC2CCCC2)N2CCOCC2)CC1
LogP,Modify the molecule CCc1ccc(Oc2ncnc(Sc3ccc(C)cc3)c2N)cc1 to have a lower LogP value.,CCc1ccc(Oc2ncnc(SC)c2N)cc1
MR,Modify the molecule O=C(Cn1ccc(C(F)(F)F)n1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 to have a lower MR value.,FC(F)(F)c1ccc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)nc1
QED,Please modify the molecule CCNC(Nc1ccc2c(c1)OCCCO2)=[NH+]Cc1cccc(OCc2ccccn2)c1 to decrease its QED value.,CCNC(Nc1ccc2c(c1)OCCCO2)=[NH+]COCc1ccccn1
AtomNum,"The molecule contains 19 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 3 fluorine atoms, and 1 bromine atom.",CCOc1cc(C=NNC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1O
BondNum,"There is a molecule consisting of 12 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",COc1ccc(-c2oc3cc(=O)cc([O-])c-3c(O)c2OC)cc1CC=C(C)C
FunctionalGroup,"The molecule has 1 hydroxyl group, and 2 ketone groups.",CC(C)=CCCC(C)(O)CCC1=CC(=O)c2cc(C)c(C)cc2C1=O
AddComponent,Modify the molecule C#CC1CCC(C#N)N1C(=O)C([NH3+])C1CC2CCC(C1)N2C(=O)c1ccnc(F)c1 by adding a benzene ring.,C#CC1CCC(C#N)N1C(=O)C([NH3+])C1CC2CC(c3ccccc3)C(C1)N2C(=O)c1ccnc(F)c1
SubComponent,Modify the molecule OC(Cn1cncn1)c1ccccc1F by substituting a halo with a carboxyl.,O=C([OH])c1ccccc1C(O)Cn1cncn1
DelComponent,Remove a amine from the molecule CC(C)N(CCC(N)=S)c1ccc(C(N)=O)cn1.,CC(C)N(CCC=S)c1ccc(C(N)=O)cn1
LogP,Optimize the molecule COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)cc1 to have a higher LogP value.,COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)c(-c2ccccc2)c1
MR,Please modify the molecule CC(C(=O)OC1CCCC1)c1ccccn1 to increase its MR value.,CC(C(=O)OC1CCCC1)c1cc(O)ccn1
QED,Optimize the molecule C=Cc1ccc(COCc2ccc(N(c3ccc(COCc4ccc(C=C)cc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(COCc6ccc(C=C)cc6)cc5)c5ccc(COCc6ccc(C=C)cc6)cc5)ccc3-4)cc2)cc1 to have a lower QED value.,C=CCOCc1ccc(N(c2ccc(COCc3ccc(C=C)cc3)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(COCc5ccc(C=C)cc5)cc4)c4ccc(COCc5ccc(C=C)cc5)cc4)ccc2-3)cc1
AtomNum,"The molecule contains 14 carbon atoms, 1 nitrogen atom, and 1 sulfur atom.",CC([NH2+]C1CCC(C)(C)CC1)c1cccs1
BondNum,"The molecule consists of 3 single bonds, 1 rotatable bond, and 17 aromatic bonds.",Nc1cc(-c2ccc3ncccc3c2)ccc1Cl
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,Cc1cccc(OCc2ncc(C(=O)[O-])o2)c1
AddComponent,Please add a hydroxyl to the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(C(=O)Nc4ccc(F)cc4F)cc3)CC2)cccc1C(=O)NC1CCCC1.,O=C(CCNC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)NC3CCCC3)c2CO)CC1)Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1
SubComponent,Please substitute a Cc1c(C(=O)N2CCN(C(=O)Nc3ccc(Br)cc3)C(C)C2)cnn1-c1nc(-c2ccc3ccccc3c2)cs1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3cnn(-c4nc(-c5ccc6ccccc6c5)cs4)c3C)CC2C)cc1
DelComponent,Please remove a CC(C)=CC(=O)C(C(=O)[O-])C(O)C[N+](C)(C)C from the molecule hydroxyl.,CC(C)=CC(=O)C(CC[N+](C)(C)C)C(=O)[O-]
LogP,Optimize the molecule O=C(OCCCc1nc(-c2cccnc2)no1)c1cn[nH]c1-c1ccccc1 to have a lower LogP value.,O=C(OCCCc1nc(-c2cccnc2)no1)c1cn[nH]c1
MR,Optimize the molecule NS(=O)(=O)c1cc(C(=O)NN(CC2CCCC2)c2ccccc2)ccc1Cl to have a lower MR value.,N#Cc1ccc(C(=O)NN(CC2CCCC2)c2ccccc2)cc1S(N)(=O)=O
QED,Modify the molecule CCCc1nc(=S)cc(-c2cccc(C#N)c2)[nH]1 to have a lower QED value.,CCCc1nc(=S)cc(-c2cccc(C#N)c2-c2ccccc2)[nH]1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",CCC1OCCC1C([NH3+])c1cc(C)sc1C
BondNum,"Please generate a molecule with 7 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",COc1cc(C(=O)[O-])c(OC)cc1I
FunctionalGroup,There is a molecule with and 8 amide groups.,O=C1NCC(=O)N2CCCC2C(=O)NCC(=O)N2CCCC2C(=O)NCC(=O)N2CCCC2C(=O)NCC(=O)N2CCCC12
AddComponent,Please add a hydroxyl to the molecule CCOC(=O)C([NH2+]C1CCCC1)c1cnn(C)c1C.,CCOC(=O)C([NH2+]C1CCC(O)C1)c1cnn(C)c1C
SubComponent,Substitute a halo in the molecule O=C(Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1)c1ncc(F)cc1F with a hydroxyl.,O=C(Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1)c1ncc(O)cc1F
DelComponent,Please remove a amine from the molecule CN(C)C(=[NH+]CC(O)c1ccccc1)N(C)C.,CN(C)C(CC(O)c1ccccc1)N(C)C
LogP,Modify the molecule CC(C)(C)c1ccc(C2C(C#N)=C([NH3+])Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 to have a higher LogP value.,CC(C)(C)c1ccc(C2C(S)=C([NH3+])Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1
MR,Please modify the molecule NC1=[NH+]C2(O)CCCC2S1 to increase its MR value.,NC1=[NH+]C2(O)C(CCC2c2ccccc2)S1
QED,Optimize the molecule CCN(CC)c1ccc(NC(=S)Nc2nnc(OC)cc2Br)c(C)c1 to have a lower QED value.,CCN(CC)c1cc(C)c(NC(=S)Nc2nnc(OC)cc2Br)c(O)c1
AtomNum,"Please generate a molecule with 17 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",COc1cc(OC)cc(C(=O)N2CC3COCCC3(C(=O)[O-])C2)c1
BondNum,"There is a molecule with 17 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",O=C(c1ccccc1)c1c2c(c(-c3ccccc3)n1C1CCCCC1)CCCCCC2
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 1 nitrile group, and 1 sulfide group.",Cc1ccc(Cc2cnc(NC(=O)CN(C)c3ccc(C#N)cn3)s2)cc1
AddComponent,Please add a nitrile to the molecule NC(=O)C1CCN(C(=O)C2COCC2[NH3+])C1.,N#CC1(C(=O)N2CCC(C(N)=O)C2)COCC1[NH3+]
SubComponent,Modify the molecule hydroxyl by substituting a CCCCCCCC=CC1OC1(O)C#CC(O)CC with a carboxyl.,CCCCCCCC=CC1OC1(C#CC(O)CC)C(=O)[OH]
DelComponent,Remove a amide from the molecule Cc1cccc2c1N(C(C)C)C(=O)C2=O.,Cc1cccc(C(C)C)c1O
LogP,Modify the molecule COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C)cc(C(=O)OC)c1 to have a higher LogP value.,COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2C)cc(C(=O)OC)c1
MR,Please optimize the molecule Cc1ccc(CNC(=O)c2ccccc2Br)cc1 to have a higher MR value.,Cc1ccc(CNC(=O)c2ccccc2Br)cc1O
QED,Please optimize the molecule COc1ccc(CC(=O)Nc2c(C)nc3c(C)cccn3c2=O)cc1OC to have a higher QED value.,COC(OC)C(=O)Nc1c(C)nc2c(C)cccn2c1=O
AtomNum,"Please generate a molecule with 13 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCc1ccc(CC(C[NH3+])C(=O)NC2CC2)o1
BondNum,"Please generate a molecule composed of 15 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCC1CCN(c2ncc(Br)cc2C[NH2+]C(C)(C)C)C1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 amine group.",CCc1cc(-c2noc(-c3cc(C)nc(NC(C)C)n3)n2)cc(C)c1CCC(=O)NCC[NH3+]
AddComponent,Add a amine to the molecule CC(Oc1ccccc1)c1nc2ccc(N3CCNCC3S(=O)(=O)c3ccccc3)cc2n1Cc1ccc(Cl)cc1.,CC(Oc1ccc(N)cc1)c1nc2ccc(N3CCNCC3S(=O)(=O)c3ccccc3)cc2n1Cc1ccc(Cl)cc1
SubComponent,Please substitute a Cc1nc(-n2ccc(OCc3ccc(C(F)(F)F)nc3)cc2=O)sc1C(=O)NCc1ccccc1 in the molecule halo with a thiol.,Cc1nc(-n2ccc(OCc3ccc(C(F)(F)S)nc3)cc2=O)sc1C(=O)NCc1ccccc1
DelComponent,Remove a halo from the molecule COC1(C(=O)c2occc2Br)CCC(C)(C)CC1.,COC1(C(=O)c2ccco2)CCC(C)(C)CC1
LogP,Please modify the molecule CCCCCCCOc1ccc(C2CCC(c3ccc(C)cc3F)OC2)c(F)c1F to decrease its LogP value.,CCCCCCCOc1ccc(C2CCC(c3ccc(C)cc3NO)OC2)c(F)c1F
MR,Please optimize the molecule CCOC(=O)c1cc(N(C)C(C)(C)CC)ncc1N to have a higher MR value.,CCC(C)(C)N(C)c1cc(C(=O)OC(C)c2ccccc2)c(N)cn1
QED,Please optimize the molecule Cn1cc(C(C[NH3+])Nc2cccc(Br)c2)c(C(C)(C)C)n1 to have a higher QED value.,Cn1cc(C(C[NH3+])c2cccc(Br)c2)c(C(C)(C)C)n1
AtomNum,"The molecule is composed of 13 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",Cc1ccoc1C(=O)NC1CCCCC1C
BondNum,"Please generate a molecule composed of 15 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(c1cccnc1SC(F)F)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 1 nitro group, and 2 halo groups.",CCC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1C
AddComponent,Please add a hydroxyl to the molecule O=C(Nc1ccc(Oc2ccccc2)cc1)OCCc1ccccc1Br.,O=C(Nc1ccc(Oc2ccccc2)c(O)c1)OCCc1ccccc1Br
SubComponent,Substitute a halo in the molecule O=C(CN1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)Sc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 with a thiol.,O=C(CN1C(=O)C(=Cc2ccc(C(F)(F)S)cc2)Sc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1
DelComponent,Modify the molecule amide by removing a CN(CCc1cccc2ccccc12)C(=O)CCC1CC[NH2+]CC1.,CC(CCc1cccc2ccccc12)C1CC[NH2+]CC1
LogP,Modify the molecule COc1cc(Cl)c(C)cc1N1C(=O)C(Nc2cccc(N(C)C)c2)=C(Sc2ccc(Cl)cc2)C1=O to have a lower LogP value.,COc1cc(Cl)c(C)cc1N1C(=O)C(Nc2cc(N(C)C)ccc2O)=C(Sc2ccc(Cl)cc2)C1=O
MR,Please modify the molecule CC(=O)CC(=O)Nc1ccccc1O to decrease its MR value.,CC(=O)c1ccccc1O
QED,Please modify the molecule CCSCC(C)n1c(=S)[nH]c2ccc(F)cc21 to decrease its QED value.,CCSCC(C)n1c(=S)[nH]c2ccc(S)cc21
AtomNum,"The molecule contains 22 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCN(CC)c1ccc(NC(=O)CNc2ccccc2C(C)(C)C)cc1
BondNum,"Please generate a molecule composed of 16 single bonds, 7 rotatable bonds, and 5 aromatic bonds.",CC[NH+]1CCC(C(C)Nc2cnn(CCOC)c2)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amine groups, 1 nitro group, and 1 sulfone group.",CNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]
AddComponent,Please add a hydroxyl to the molecule COc1cc(OC)cc(-c2cc(C)cc(O)c2)c1.,COc1cc(OC)cc(-c2cc(C)cc(O)c2O)c1
SubComponent,Modify the molecule C[NH2+]Cn1c(=O)[nH]c2cccc(F)c2c1=O by substituting a halo with a nitrile.,C[NH2+]Cn1c(=O)[nH]c2cccc(C#N)c2c1=O
DelComponent,Please remove a halo from the molecule Cc1ccc(F)c(CCCC[NH3+])c1O.,Cc1cccc(CCCC[NH3+])c1O
LogP,Modify the molecule CCOC(=O)c1cccc(NC(C)CCC(C)C)c1 to have a lower LogP value.,CCOC(=O)c1cc(O)cc(NC(C)CCC(C)C)c1
MR,Please optimize the molecule CC(=O)N(CCCc1ccccc1)CC(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(C(N)=O)C(C)OP(=O)([O-])[O-] to have a higher MR value.,CC(=O)N(CCCc1ccccc1)CC(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCl)C(=O)NC(C(N)=O)C(C)OP(=O)([O-])[O-]
QED,Modify the molecule CC(Oc1cccc(Nc2ncnc3cccc(OCC4CCCN4C(=O)CO)c23)c1)c1cnccn1 to have a higher QED value.,CC(Oc1cccc(-c2ncnc3cccc(OCC4CCCN4C(=O)CO)c23)c1)c1cnccn1
AtomNum,"There is a molecule with 35 carbon atoms, and 4 oxygen atoms.",CCCCCCCCOc1ccc(-c2cc(C(=O)OC(C)OCCCCCC)ccc2-c2ccccc2)cc1
BondNum,"Please generate a molecule composed of 9 single bonds, 2 double bonds, 7 rotatable bonds, and 24 aromatic bonds.",O=C([O-])c1ccc(Oc2ccc(Oc3ccccc3-c3ccccc3)cc2)cc1C(=O)[O-]
FunctionalGroup,Please generate a molecule consisting and 4 hydroxyl groups.,CC(CCOC1OC(CO)C(O)C(O)C1O)(C(=O)[O-])C(=O)[O-]
AddComponent,Please add a benzene ring to the molecule CS(=O)(=O)CCNC(=O)c1cccs1.,CS(=O)(=O)CCNC(=O)c1sccc1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a CC[NH2+]Cc1ccccc1NS(=O)(=O)c1cncc(Br)c1 with a hydroxyl.,CC[NH2+]Cc1ccccc1NS(=O)(=O)c1cncc(O)c1
DelComponent,Remove a COC(=O)N1CCCCC1C(N)=[NH+]O from the molecule hydroxyl.,COC(=O)N1CCCCC1C(=[NH+])N
LogP,Please optimize the molecule Clc1ccc(-c2noc(C3CCC[NH2+]C3)n2)cc1Br to have a lower LogP value.,Clc1ccc(-c2noc(C3CCC[NH2+]C3)n2)cc1
MR,Modify the molecule O=[N+]([O-])c1ccc(C2CCN3NC=CC3[NH2+]2)o1 to increase its MR value.,O=[N+]([O-])c1ccc(C2CC(O)N3NC=CC3[NH2+]2)o1
QED,Please optimize the molecule CCCCOCCC(C[NH2+]C(C)(C)C)c1cccc(F)c1 to have a higher QED value.,CCCCOCCC(C[NH2+]C(C)(C)C)c1cccc(C#N)c1
AtomNum,"The molecule contains 20 carbon atoms, 2 oxygen atoms, 9 nitrogen atoms, 3 fluorine atoms, 1 chlorine atom, and 1 iodine atom.",Cc1cc(I)cc(C(N)=O)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
BondNum,"Please generate a molecule with 11 single bonds, 2 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",O=S(=O)([O-])C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1Cl)c1cc(O)cc(O)c1Cl
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 2 hydroxyl groups.",COc1ccc(CC[NH2+]CCc2ccc(O)cc2)cc1O
AddComponent,Add a benzene ring to the molecule Cc1cc(-n2cccn2)ccc1OCc1c(Cl)cccc1-n1nnn(C)c1=O.,Cc1cc(-n2cccn2)ccc1OC(c1ccccc1)c1c(Cl)cccc1-n1nnn(C)c1=O
SubComponent,Substitute a CC(Cl)CCCc1cccc(F)c1F in the molecule halo with a thiol.,CC(S)CCCc1cccc(F)c1F
DelComponent,Please remove a Cc1nc(CN(C)C(=O)c2oc(COc3ccccc3)cc2C)no1 from the molecule benzene ring.,Cc1nc(CN(C)C(=O)c2oc(CO)cc2C)no1
LogP,Modify the molecule Cc1cc(CCC([NH3+])C2CCc3ccccc3C2)ccc1O to have a higher LogP value.,Cc1cc(CCC([NH3+])C2CCc3ccccc3C2)ccc1NO
MR,Modify the molecule CC1(CNc2ccc(Cl)cn2)CCCCC1 to increase its MR value.,CC1(CNc2ccc(NO)cn2)CCCCC1
QED,Modify the molecule Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)c1cc(Cl)ccc1O to decrease its QED value.,Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)c1cc(Cl)ccc1NO
AtomNum,"The molecule has 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC[NH2+]Cc1cc(S(=O)(=O)N(C)CC(C)(C)C)ccc1C
BondNum,"The molecule is composed of 18 single bonds, 1 double bond, 8 rotatable bonds, and 17 aromatic bonds.",COc1cc(F)c(-c2nsc(C(F)(F)F)c2COc2ccc(CCC(=O)[O-])c(C)c2C)c(F)c1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 ester group, and 2 amide groups.",CCOC(=O)c1ccc2c(c1)NC(=O)C2C(=Nc1ccc(N(C)C(=O)C[NH+]2CCCCC2)cc1)c1ccccc1
AddComponent,Add a benzene ring to the molecule CCCCN(C)C(=O)CCCCCC(CBr)CCC1CC2C3CCc4cc(OC)ccc4C3CCC2(C)C1O[Si](C)(C)C(C)(C)C.,CCCCN(C)C(=O)CCC(CCC(CBr)CCC1CC2C3CCc4cc(OC)ccc4C3CCC2(C)C1O[Si](C)(C)C(C)(C)C)c1ccccc1
SubComponent,Substitute a halo in the molecule Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)n2)n1 with a nitrile.,Cc1cc(C)n(-c2ccc(C#N)c(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)n2)n1
DelComponent,Please remove a benzene ring from the molecule CN(Cc1nccn1C)C(C[NH3+])c1ccc(C(F)F)cc1.,CN(Cc1nccn1C)C(C[NH3+])C(F)F
LogP,Modify the molecule Cn1oc(=O)c(C(=O)Nc2cccc(F)c2)c1-c1ccccc1 to have a lower LogP value.,Cn1oc(=O)c(C(=O)NF)c1-c1ccccc1
MR,Optimize the molecule COCCC(C)(O)C1(C#N)COc2ccccc2C1 to have a higher MR value.,CC(=O)C(C)(CCOC)C1(C#N)COc2ccccc2C1
QED,Modify the molecule Cc1nn(Cc2ccc3c(=O)[nH][nH]c(=O)c3c2)c(C)c1-c1ccc(C#N)c(Cl)c1 to increase its QED value.,Cc1nn(Cc2ccc3c(=O)[nH][nH]c(=O)c3c2)c(C)c1-c1cccc(Cl)c1
AtomNum,"The molecule is composed of 9 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCC[NH2+]Cc1csc(CC)n1
BondNum,"The molecule is composed of 6 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",Cc1cc2ncn(-c3nc(N)ccc3[N+](=O)[O-])c2cc1C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 halo group, 1 sulfide group, and 1 sulfone group.",CC(C)(C)c1ccc(S(=O)(=O)N2CC3C(CN(C(=O)Oc4ccc(F)s4)c4ccc(N5CCOCC5)nc4)C3C2)cc1
AddComponent,Add a amine to the molecule O=Cc1c[nH+]c2n1CCNC2.,NC1Cn2c(C=O)c[nH+]c2CN1
SubComponent,Please substitute a CC(C)CCC(C)CC(C)Cl in the molecule halo with a nitrile.,CC(C)CCC(C)CC(C)C#N
DelComponent,Remove a halo from the molecule COc1ccc(C(Cl)c2ccc(Cl)cc2Cl)c(Cl)c1.,COc1ccc(C(Cl)c2ccc(Cl)cc2)c(Cl)c1
LogP,Modify the molecule NNC(c1cccc(Cl)c1)c1ccc2ncccc2c1 to have a lower LogP value.,NNC(c1ccccc1)c1ccc2ncccc2c1
MR,Modify the molecule c1ccc(CCCCCn2ccnc2)cc1 to have a lower MR value.,CCCCCn1ccnc1
QED,Optimize the molecule C#CC1CC(=O)CCC1(C)O to have a lower QED value.,C#CC1CC(=O)CCC1(C)NO
AtomNum,"The molecule contains 20 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",COc1ccc(NC(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1OC
BondNum,"Please generate a molecule composed of 15 single bonds, and 7 rotatable bonds.",CCC(C)C[NH2+]CC(O)C[NH+]1CCCC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 sulfone group.",CCOC(=O)N1CCC(n2ncc3c(Oc4ccc(S(C)(=O)=O)cc4)ncnc32)CC1
AddComponent,Modify the molecule Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)NCC(=O)Nc4ccccc4Br)CC3)c2C)c(F)c1 by adding a amine.,Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)NC(N)C(=O)Nc4ccccc4Br)CC3)c2C)c(F)c1
SubComponent,Please substitute a thiol in the molecule CC12CCC(S)(CC1)OC2 with a aldehyde.,CC(=O)C12CCC(C)(CC1)CO2
DelComponent,Remove a benzene ring from the molecule Cc1ccc2nc(N)n(Cc3ccc(C#N)cc3)c2n1.,Cc1ccc2nc(N)n(CC#N)c2n1
LogP,Modify the molecule CC(C)(C(=O)N1CC=C(C(F)(F)F)CC1)N1CC[NH2+]CC1 to have a lower LogP value.,CC(C)(C(=O)N1CC=C(C(F)(F)NO)CC1)N1CC[NH2+]CC1
MR,Optimize the molecule CC(C)(C)c1nnc(N2CCN(c3ccccc3O)CC2)s1 to have a lower MR value.,CC(C)(C)c1nnc(N2CCN(O)CC2)s1
QED,Please optimize the molecule CC(Oc1ccc(Cl)cc1)C(=O)OCC(=O)NC1CCCCCC1 to have a lower QED value.,CC(Oc1ccc(Cl)cc1)C(=O)OC1CCCCCC1
AtomNum,"The molecule contains 22 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)c(Br)c1
BondNum,"The molecule is composed of 8 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C[NH3+]
FunctionalGroup,"There is a molecule composed of 1 ketone group, 2 thioether groups, and 2 sulfide groups.",CC(=O)c1sc(N2CCSC(C)C2C)nc1C(=O)[O-]
AddComponent,Please add a carboxyl to the molecule Cc1ccc2nc(CC34CC5CC(CC(C5)C3)C4)nc-2[nH]1.,Cc1ccc2nc(CC34CC5CC(C3)C(C(=O)O)C(C5)C4)nc-2[nH]1
SubComponent,Substitute a halo in the molecule O=C(NCCC(=O)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1)c1ccccc1 with a aldehyde.,CC(=O)C(F)(F)c1ccc2nnc(C3CCCN(C(=O)CCNC(=O)c4ccccc4)C3)n2c1
DelComponent,Remove a benzene ring from the molecule C1=COC(c2cccc(-c3c4ccccc4c(-c4cccc(-c5ncco5)c4)c4ccc(-c5ccccc5-c5ccccc5)cc34)c2)[NH2+]1.,C1=COC(c2c3ccccc3c(-c3cccc(-c4ncco4)c3)c3ccc(-c4ccccc4-c4ccccc4)cc23)[NH2+]1
LogP,Please optimize the molecule C[NH2+]C1CCCN(c2cnn(C)c(=O)c2Cl)C1 to have a lower LogP value.,C[NH2+]C1CCCN(c2cnn(C)c(=O)c2C(=O)[OH])C1
MR,Optimize the molecule CC(C)c1nc2ccc(C(C)O)cc2n1-c1ccccc1 to have a higher MR value.,CC(C)c1nc2ccc(C(C)O)cc2n1-c1cccc(-c2ccccc2)c1
QED,Please optimize the molecule COc1ccc(C)cc1C(F)(F)CCCCC(=O)[O-] to have a lower QED value.,CC(=O)C(F)(CCCCC(=O)[O-])c1cc(C)ccc1OC
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CN(C)C(=O)C[NH2+]Cc1cccc(Cl)c1F
BondNum,"There is a molecule with 20 single bonds, 2 double bonds, 8 rotatable bonds, and 28 aromatic bonds.",CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)NC(C)C)c5ccccc5c4)CC3)[nH+]c2-c2ccc(C)cc2)c1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 2 amine groups, and 1 sulfone group.",COc1ccc(S(=O)(=O)Nc2ccc(N3C=[NH+]c4occc4C3[NH3+])cc2)cc1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(CC2COc3ccccc3C[NH2+]2)cc1.,COc1ccc(CC2COc3ccc(O)cc3C[NH2+]2)cc1
SubComponent,Please substitute a halo in the molecule COCC(O)CNC(=O)NCC1(c2ccc(F)cc2Cl)CC1 with a aldehyde.,CC(=O)c1ccc(C2(CNC(=O)NCC(O)COC)CC2)c(Cl)c1
DelComponent,Modify the molecule benzene ring by removing a Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2[NH2+]C(C(=O)[O-])CS2)c1.,Cc1ocnc1CCOc1cccc(C2[NH2+]C(C(=O)[O-])CS2)c1
LogP,Optimize the molecule CC(C)(C)OC(=O)N1CCCC(COCC(=O)Nc2cccc(-c3nnco3)c2)C1 to have a lower LogP value.,CC(C)(C)OC(=O)N1CCCC(COCC(=O)Nc2nnco2)C1
MR,Optimize the molecule CC(C)NC(=O)C1=C(OC(C)C)C2Oc3c(O)ccc4c3C23CC[NH+](CC2CC2)C(C4)C3(O)C1 to have a higher MR value.,CC(C)NC(=O)C1=C(OC(C)C)C2Oc3c(Br)ccc4c3C23CC[NH+](CC2CC2)C(C4)C3(O)C1
QED,Please optimize the molecule Cc1ccc(OCC(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1C to have a higher QED value.,Cc1ccc(OCC(=O)NOc2ccc(OCc3ccccc3)cc2)cc1C
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 bromine atom.",Cc1nccn1CCOc1ccc(Br)cc1CC[NH3+]
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",Cc1cccc(NC(=O)N2CCN(c3nc4ccc(Br)cc4s3)CC2)c1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amine group, and 3 halo groups.",Cc1ccccc1-n1nnnc1C1(Nc2cccc(C(F)(F)F)c2)CCC(C(C)(C)C)CC1
AddComponent,Add a thiol to the molecule COC(=O)CC(NC(=O)C1Cc2c([nH]c3ccccc23)CN1C(=O)OC(C)(C)C)C(=O)OC.,COC(=O)CC(NC(=O)C1Cc2c([nH]c3c(S)cccc23)CN1C(=O)OC(C)(C)C)C(=O)OC
SubComponent,Substitute a halo in the molecule NNC(Cc1cccs1)c1ccc(Br)cn1 with a thiol.,NNC(Cc1cccs1)c1ccc(S)cn1
DelComponent,Modify the molecule COc1cc(C(=O)NCC[NH+](C)C)ccc1Cc1ncc(C(F)(F)F)c(NC2Cc3ccccc3C2NS(C)(=O)=O)n1 by removing a halo.,COc1cc(C(=O)NCC[NH+](C)C)ccc1Cc1ncc(C(F)F)c(NC2Cc3ccccc3C2NS(C)(=O)=O)n1
LogP,Please optimize the molecule CCC(=O)C1=C(O)C(=O)N(c2ccc(OCC(C)C)cc2)C1c1ccc(OC)cc1 to have a lower LogP value.,CCC(=O)C1=C(O)C(=O)N(c2ccc(OCC(C)C)cc2)C1OC
MR,Please modify the molecule NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 to increase its MR value.,NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nnc(N2CCCC2)n1-c1cccc(NO)c1
QED,Optimize the molecule CCCC[Si](C)(C)O[Si]S to have a lower QED value.,CCCC[Si](C)(C)O[Si]NO
AtomNum,"Please generate a molecule with 10 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",N#CC(C#N)=NNc1ccc(OCCl)cc1
BondNum,"There is a molecule with 11 single bonds, 3 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",COc1ccc(Br)cc1C=CC(=O)NC(=S)Nc1nc2cc(Cl)c(C)cc2s1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 nitro group, 1 halo group, and 1 sulfide group.",Cc1ccc(N=Nc2c(C)[nH]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)cc1[N+](=O)[O-]
AddComponent,Please add a hydroxyl to the molecule CCC(CCCSc1ccc(C)c(C)c1)([NH2+]C)C(=O)[O-].,CCC(CCCSc1ccc(C)c(C)c1)([NH2+]CO)C(=O)[O-]
SubComponent,Modify the molecule halo by substituting a COC(=O)C(C(C)C)n1c(C(C)Cl)nc2ccc(F)cc21 with a nitro.,COC(=O)C(C(C)C)n1c(C(C)NO)nc2ccc(F)cc21
DelComponent,Remove a CC(C)C(C)C([NH3+])Cc1cccc(C(F)(F)F)c1 from the molecule halo.,CC(C)C(C)C([NH3+])Cc1cccc(C(F)F)c1
LogP,Modify the molecule c1cc(N2CC3(C[NH2+]C3)C2)cc(C2CC2)[nH+]1 to have a lower LogP value.,OC1N(c2cc[nH+]c(C3CC3)c2)CC12C[NH2+]C2
MR,Modify the molecule C=C1OC(C(O)C[NH2+]CC(O)C2CCc3cc(F)ccc3O2)CCC1=CC(F)=CC to have a higher MR value.,CC(=O)c1ccc2c(c1)CCC(C(O)C[NH2+]CC(O)C1CCC(=CC(F)=CC)C(=C)O1)O2
QED,Please modify the molecule N#Cc1cc(C(F)(F)F)ccc1N1CC(S(=O)(=O)NC2CCCC2)C1 to decrease its QED value.,N#Cc1cc(C(F)(F)F)ccc1N1CC(S)(S(=O)(=O)NC2CCCC2)C1
AtomNum,"The molecule is composed of 10 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cn1nccc1C([NH3+])CC1CCCO1
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",Cc1ccccc1C1CC1C(=O)N(C)CCC(C)O
FunctionalGroup,"There is a molecule composed of 1 amine group, and 1 halo group.",C[NH+]1CC(CNc2ncc(I)cn2)C1
AddComponent,Please add a amine to the molecule CC(C)(C)c1nnsc1C([NH3+])C1CCCC(S(C)(=O)=O)C1.,CC(C)(CN)c1nnsc1C([NH3+])C1CCCC(S(C)(=O)=O)C1
SubComponent,Please substitute a CCC(O)Cc1nc(C23CC4CC(CC(C4)C2)C3)no1 in the molecule hydroxyl with a thiol.,CCC(S)Cc1nc(C23CC4CC(CC(C4)C2)C3)no1
DelComponent,Remove a amide from the molecule Cc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc2[nH]c(C(F)(F)F)nc12.,Cc1cc(C2CCC([NH+]3CCN(C)CC3)CC2OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)cc2[nH]c(C(F)(F)F)nc12
LogP,Optimize the molecule CCC([NH2+]C(C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 to have a lower LogP value.,CCC([NH2+]C(C)C(C)(C)C)c1cc(O)cc([N+](=O)[O-])c1
MR,Please optimize the molecule Nc1ccc2sc(C(=O)NCCC(F)(F)F)cc2c1 to have a lower MR value.,Nc1ccc2sc(C(=O)NCCC(F)F)cc2c1
QED,Modify the molecule C[NH2+]C(c1cc(C(F)(F)F)ccc1F)c1c(Cl)cnn1C to have a higher QED value.,C[NH2+]C(c1cc(C(F)F)ccc1F)c1c(Cl)cnn1C
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",CNc1cc(C(=O)NC2CC[NH+](C3CC3)C2)cc(Cl)n1
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",Nc1ccc2c(c1)N(CCO)C(=O)CO2
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,C=CCOC(=O)N1CC(c2ccccc2)[NH2+]CC1C(C)C
AddComponent,Add a benzene ring to the molecule CCCCCCCCCCCCC=CCCCCCCC(=O)[O-].,CCCCCCCCCCCCC(=CCCCCCCC(=O)[O-])c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule N#Cc1c[nH+]c2ccccc2c1NC1(CO)CCC1 with a nitro.,N#Cc1c[nH+]c2ccccc2c1NC1(CNO)CCC1
DelComponent,Please remove a benzene ring from the molecule CCCCCc1ccc(C#Cc2ccc(CCCCC)nn2)cc1.,CCCCCC#Cc1ccc(CCCCC)nn1
LogP,Modify the molecule COc1ccc(C(=O)Nc2c(Cl)cc(N)cc2Cl)cc1 to decrease its LogP value.,COc1ccc(C(=O)Nc2c(Cl)cc(N)cc2C#N)cc1
MR,Please modify the molecule C[NH2+]C1(C)CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 to decrease its MR value.,C[NH2+]C1(C)CC[NH+](Cc2cc(Cl)cc(OC)c2)CC1
QED,Please optimize the molecule CCC(CC(=O)[O-])c1cc(F)cc(S(=O)(=O)N(C)CC2CO2)c1Cl to have a lower QED value.,CCC(CC(=O)[O-])c1cc(C#N)cc(S(=O)(=O)N(C)CC2CO2)c1Cl
AtomNum,"There is a molecule with 44 carbon atoms, 8 oxygen atoms, and 5 nitrogen atoms.",CC(C[NH2+]C(C)(C)CC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)OC(C)(C)C)cc2)C1=O)OC(=O)CNC(=O)OC(C)(C)C
BondNum,"Please generate a molecule with 10 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C)c(C(O)C(C[NH3+])c2cccc(Br)c2)c(C)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 3 amine groups, and 1 halo group.",Nc1ccc(F)cc1CNc1nc(NC2CCC([NH3+])CC2)nc2c1ncn2C1CCCCC1
AddComponent,Please add a hydroxyl to the molecule CCN(CC)C(=O)c1ccc(CCC(CC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)[O-])cc1.,CCN(CC)C(=O)c1ccc(CCC(CC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)[O-])cc1O
SubComponent,Substitute a halo in the molecule CC[NH+](CC)C(CNC(=O)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 with a hydroxyl.,CC[NH+](CC)C(CNC(=O)C1C[NH2+]C1)c1ccc(C(O)(F)F)cc1
DelComponent,Modify the molecule halo by removing a CC([NH3+])c1ccc([N+](=O)[O-])cc1Cl.,CC([NH3+])c1ccc([N+](=O)[O-])cc1
LogP,Optimize the molecule CCc1nn(C)c(CC(CCl)(CCl)C2CCCC2)c1Br to have a lower LogP value.,CC(=O)CC(CCl)(Cc1c(Br)c(CC)nn1C)C1CCCC1
MR,Modify the molecule CCCN(CCC)C(=O)c1cccc(OC(C)c2ccc(Cl)cc2)c1 to decrease its MR value.,CCCN(CCC)C(=O)c1cccc(OC(C)c2ccc(C#N)cc2)c1
QED,Modify the molecule CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OCC)c(OC)c3)c(=O)n2C1c1cc(OC)c(OC)cc1Br to have a higher QED value.,CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OCC)c(C(=O)[OH])c3)c(=O)n2C1c1cc(OC)c(OC)cc1Br
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 3 oxygen atoms, and 4 fluorine atoms.",CC1(C)CC=C(c2c(F)ccc(C(F)(F)F)c2C(=O)C(=O)[O-])CC1
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CC(NC(=O)CSc1ccc(N)cc1)c1ccccc1Cl
FunctionalGroup,"The molecule contains 1 hydroxyl group, 1 ketone group, and 1 ester group.",COC(=O)CCC(C)C1CCC2C1(C)CCC1C3(C)CCC(O)CC3CC(=O)C12C
AddComponent,Add a carboxyl to the molecule COCc1cccc(Oc2cccc(C[NH3+])n2)c1.,COCc1ccc(C(=O)O)c(Oc2cccc(C[NH3+])n2)c1
SubComponent,Please substitute a halo in the molecule CC(C(=O)[O-])(C(=O)[O-])C1CCc2c([nH]c3ccc(Cl)cc23)C1 with a nitrile.,CC(C(=O)[O-])(C(=O)[O-])C1CCc2c([nH]c3ccc(C#N)cc23)C1
DelComponent,Please remove a amide from the molecule Cc1nc(CC2CC2)sc1C(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C.,CC[NH+]1C2CCC1CC(NC(=O)c1sc(CC3CC3)nc1C)C2
LogP,Please modify the molecule CC(C)NC(=O)NCc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1 to decrease its LogP value.,CC(C)NC(=O)NCc1ccc(C(=O)OCC(=O)Nc2cccc(NO)c2)cc1
MR,Please optimize the molecule Cc1nc2ccccc2nc1NCCCc1[nH]cc[nH+]1 to have a lower MR value.,Cc1nc2ccccc2nc1CCCc1[nH]cc[nH+]1
QED,Modify the molecule CS(=O)(=O)Oc1ccc(F)c(CO)c1CO to decrease its QED value.,CS(=O)(=O)Oc1ccc(S)c(CO)c1CO
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 sulfur atoms.",CCC[NH2+]Cc1c(SCC2CCCO2)nc2sccn12
BondNum,"The molecule contains 13 single bonds, 1 double bond, 4 rotatable bonds, and 18 aromatic bonds.",O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2nccnc2N2CCCCC2)c1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 ketone group, 1 ester group, 1 nitro group, 2 halo groups, 1 thioether group, and 1 sulfide group.",CSc1ccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]
AddComponent,Please add a carboxyl to the molecule NC(=O)C1CCN(c2ncccc2C(=O)N2CCc3ccccc32)C1.,NC(=O)C1CN(c2ncccc2C(=O)N2CCc3ccccc32)CC1C(=O)O
SubComponent,Modify the molecule halo by substituting a O=C([O-])c1nnsc1COc1cccc(C(F)(F)F)c1 with a nitrile.,N#CC(F)(F)c1cccc(OCc2snnc2C(=O)[O-])c1
DelComponent,Remove a halo from the molecule COc1cc2c(cc1C=Nc1ccc(F)cc1F)C(C)=CC(C)(C)N2C.,COc1cc2c(cc1C=Nc1ccc(F)cc1)C(C)=CC(C)(C)N2C
LogP,Optimize the molecule COc1ccc(C(=O)NCC(C)C)cc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)Nc3ccccc3F)cc2C)CC1 to have a lower LogP value.,COc1ccc(C(=O)NCC(C)C)cc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2C)CC1
MR,Please optimize the molecule Nc1cc(C(=O)[O-])nn1C12CC3CC(CC(C3)C1)C2 to have a higher MR value.,Nc1cc(C(=O)[O-])nn1C12CC3CC(CC(C3)C1N)C2
QED,Modify the molecule C=C(C)C#CC(OC(=O)C(Cl)(Cl)Cl)C(C)CCC to increase its QED value.,C=C(C)C#CC(OC(=O)C(Cl)(Cl)Cl)C(C)C(O)CC
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, 1 fluorine atom, and 1 chlorine atom.",COC(=O)c1cc(Cl)ccc1Cc1cccc(F)c1
BondNum,"There is a molecule with 12 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",[NH3+]CC(c1ccc(Cl)c(Cl)c1)N(Cc1ccco1)C1CC1
FunctionalGroup,The molecule consists of and 1 amine group.,CN(C)CC[NH2+]C1Cc2c(cc(NCC[NH+](C)C)c3c(=O)c4ccccc4oc23)OC1(C)C
AddComponent,Modify the molecule Cn1cc[nH+]c1CCC1(C(=O)[O-])CCCC1 by adding a amine.,NCn1cc[nH+]c1CCC1(C(=O)[O-])CCCC1
SubComponent,Substitute a halo in the molecule COc1cc(Cl)cc(C(C)[NH3+])c1O with a carboxyl.,COc1cc(C(=O)[OH])cc(C(C)[NH3+])c1O
DelComponent,Remove a halo from the molecule CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1nnc(C(F)(F)F)n1N.,CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1nnc(C(F)F)n1N
LogP,Optimize the molecule CCC(O)c1ccc(Oc2ccccc2C(F)(F)F)cn1 to have a lower LogP value.,CCC(O)c1ccc(OC(F)(F)F)cn1
MR,Please optimize the molecule COC(=O)CCCCCNc1ncccc1C#N to have a lower MR value.,COC(=O)CCCCCc1ncccc1C#N
QED,Optimize the molecule CC(C)(C)OC(=O)NC1CCCN(c2nc3cc(Cl)sc3c(=O)n2Cc2ccccc2C#N)C1 to have a lower QED value.,CC(C)(C)OC(=O)NC1CCCN(c2nc3cc(C(=O)[OH])sc3c(=O)n2Cc2ccccc2C#N)C1
AtomNum,"The molecule is composed of 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CSC1CCCC1[NH2+]C(C)C(=O)Nc1ccc(C)cc1
BondNum,"The molecule is composed of 16 single bonds, 3 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",O=C(C1Nc2cc(F)ccc2S(=O)(=O)N1)N1CCN(c2cccc(Cl)c2)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 2 amide groups.",[NH3+]C(Cc1ccccc1)C(=O)NC1CCN(O)C1=O
AddComponent,Modify the molecule Cc1nn(C)c(C)c1NC(=O)N1CCCC2(CCCCC2)CC1 by adding a amine.,Cc1nn(C)c(C)c1NC(=O)N1CCCC2(CCCCC2)CC1N
SubComponent,Please substitute a halo in the molecule O=c1nc[nH]c2c1[nH]c1cccc(Cl)c12 with a aldehyde.,CC(=O)c1cccc2[nH]c3c(=O)nc[nH]c3c12
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccc(-c2cc(NC(=O)c3cccc(F)c3)c(C(=O)OC)s2)cc1.,CCOc1ccc(-c2cc(NC(=O)F)c(C(=O)OC)s2)cc1
LogP,Modify the molecule Cc1ccc(C)n1CCNC(=O)c1ccc2nc[nH]c2c1 to have a lower LogP value.,Cc1ccc(C)n1CCNC(=O)c1cc(N)c2nc[nH]c2c1
MR,Modify the molecule COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 to decrease its MR value.,COc1ccccc1C(=O)NC(=S)c1ccc(-c2nc3cc(C)c(C)cc3o2)cc1
QED,Modify the molecule COCc1cc(C)nc(OCC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)c1C#N to decrease its QED value.,COCc1cc(C)nc(OC(C#N)C(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)c1C#N
AtomNum,"There is a molecule consisting of 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 fluorine atoms.",Nc1cc(C(=O)NCC2CC[NH+](C3CC3)C2)c(F)cc1F
BondNum,"The molecule consists of 10 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",Cc1cc2cc(C(=O)N3CCCC3CO)ccc2o1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, 1 halo group, 2 thioether groups, and 1 sulfide group.",CCc1ccc(CNC(=O)CCSCc2ccccc2F)cc1
AddComponent,Add a carboxyl to the molecule CCCCCCCCCCCCCCCCCC(OC(C)=O)C1CC(OC(C)=O)C(CSc2ccccc2)O1.,CCCCCCCCCCCCCCCC(CC(OC(C)=O)C1CC(OC(C)=O)C(CSc2ccccc2)O1)C(=O)O
SubComponent,Substitute a halo in the molecule CCCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl with a nitro.,CCCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1NO
DelComponent,Please remove a CC1(C)CCC([NH2+]C2CCCNC2)CC1 from the molecule amine.,CC1(C)CCC([NH2+]C2CCCC2)CC1
LogP,Modify the molecule CN(C)C(=O)N1CCc2cc(Cc3c[nH]c(=O)c(Cl)c3OCc3ccc(F)cc3F)ccc21 to decrease its LogP value.,CN(C)C(=O)N1CCc2cc(Cc3c[nH]c(=O)c(Cl)c3OCc3ccccc3F)ccc21
MR,Modify the molecule N#CC1(Cc2ccsc2)CCc2ccccc21 to decrease its MR value.,c1ccc2c(c1)CCC2Cc1ccsc1
QED,Please optimize the molecule CCCCCC#CC=NNc1ccc(F)c(Cl)c1 to have a lower QED value.,CCCCCC#CC=NNc1ccc(F)cc1
AtomNum,"There is a molecule with 42 carbon atoms, and 2 sulfur atoms.",c1ccc2cc3c(cc2c1)sc1cc(-c2c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc24)ccc13
BondNum,"There is a molecule consisting of 7 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC([NH3+])CCSc1ccc(F)cc1
FunctionalGroup,There is a molecule consisting of and 1 hydroxyl group.,CC(C)Cn1ncnc1CC(O)COC(C)C
AddComponent,Modify the molecule CN(C)c1cc[nH+]cc1NCc1ccc(F)c(Br)c1 by adding a benzene ring.,CN(C)c1cc(-c2ccccc2)[nH+]cc1NCc1ccc(F)c(Br)c1
SubComponent,Please substitute a NC(=O)c1cccn2c(Cl)c[nH+]c12 in the molecule halo with a thiol.,NC(=O)c1cccn2c(S)c[nH+]c12
DelComponent,Modify the molecule CN(C)c1cc(C(=O)NCc2ccccc2)nc2ccnn12 by removing a benzene ring.,CNC(=O)c1cc(N(C)C)n2nccc2n1
LogP,Please optimize the molecule CC(CC(=O)[O-])CC(=O)NC(=O)NCC(C)(C)S(C)(=O)=O to have a lower LogP value.,CC(CC(=O)[O-])C(=O)NCC(C)(C)S(C)(=O)=O
MR,Please optimize the molecule CC12CCC(O)CC1=CCC1C2CCC2(C)C(C(=O)C=CO)CCC12 to have a higher MR value.,CC12CCC(O)CC1=CCC1C2CCC2(C)C(C(=O)C=CO)CCC12N
QED,Optimize the molecule CC[NH+]1CCCC(Nc2ccc3nn(C(C)C(O)(Cn4cncn4)c4ccc(F)cc4F)cc3c2)C1 to have a higher QED value.,CC[NH+]1CCCC(Nc2ccc3nn(C(C)C(O)(Cn4cncn4)c4ccc(F)cc4)cc3c2)C1
AtomNum,"The molecule is composed of 30 carbon atoms, 8 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",Cc1cc(N(Cc2ccccc2)CC(O)COCC(O)COCC(O)COCC(O)CO)ccc1N=Nc1scc[n+]1C
BondNum,"The molecule has 45 single bonds, 1 double bond, 12 rotatable bonds, and 12 aromatic bonds.",O=C(Cl)c1c(F)c(F)c(-c2c(F)c(F)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c2F)c(F)c1F
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 2 amine groups, and 2 halo groups.",Cc1cc(NN)c(C(=O)Nc2cc(Cl)c(C)cc2Br)cn1
AddComponent,Modify the molecule CCCCCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1 by adding a nitrile.,CCCCCOc1ccc(CSCCNC(=S)Nc2ccccc2C#N)cc1
SubComponent,Please substitute a O=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(F)cc(OCC[NH+]7CCCC7)c6)nccc5[nH]4)c3c2)c1)C1CC1 in the molecule halo with a thiol.,O=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(S)cc(OCC[NH+]7CCCC7)c6)nccc5[nH]4)c3c2)c1)C1CC1
DelComponent,Remove a CCOc1ccc(CNc2ccc(C(F)(F)F)nc2)cc1 from the molecule amine.,CCOc1ccc(Cc2ccc(C(F)(F)F)nc2)cc1
LogP,Modify the molecule CCc1cc(N(CCCl)C2CCCCC2)ncn1 to decrease its LogP value.,CCc1cc(N(CC)C2CCCCC2)ncn1
MR,Modify the molecule C=CCC(OC(=O)c1ccccc1)C(C)OCc1ccc(OC)cc1 to increase its MR value.,C=CC(N)C(OC(=O)c1ccccc1)C(C)OCc1ccc(OC)cc1
QED,Modify the molecule CC(C)=CCCC#CCCOC1CCCCO1 to increase its QED value.,CC(C)=C(CCC#CCCOC1CCCCO1)c1ccccc1
AtomNum,"There is a molecule with 17 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1ccc(C(=O)N2CCN(C3CCCC3)C(=O)C2)c(=O)n1C
BondNum,"There is a molecule composed of 5 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",O=C([O-])CCC(=O)c1ccnc2ccccc12
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ester group, 2 amide groups, and 1 nitro group.",CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1
AddComponent,Please add a hydroxyl to the molecule N#Cc1[nH]cc(C[NH3+])c(=O)c1C(F)F.,N#Cc1[nH]cc(C([NH3+])O)c(=O)c1C(F)F
SubComponent,Modify the molecule hydroxyl by substituting a CNC(=O)C(C)[NH2+]CC(O)c1cccc(OC)c1 with a nitrile.,CNC(=O)C(C)[NH2+]CC(C#N)c1cccc(OC)c1
DelComponent,Please remove a Cc1cccc(N)c1C1CCC(C)CC1 from the molecule benzene ring.,CC1CCC(C)(N)CC1
LogP,Optimize the molecule CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1 to have a higher LogP value.,CCCCc1c(C)cc2nc3ccccc3n2c1-n1ccnc1
MR,Please optimize the molecule Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c12 to have a higher MR value.,Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(S(=O)(=O)N4CCC(O)C4)c3)c12
QED,Modify the molecule Cc1cccnc1N1CC[NH2+]CC1C(=O)N(C)C to have a lower QED value.,CCC1[NH2+]CCN1c1ncccc1C
AtomNum,"There is a molecule consisting of 16 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",COCCCc1nc2cc(C[NH3+])ccc2n1C(C)(C)C
BondNum,"The molecule has 12 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC([NH2+]CC(C)(C)CCO)c1cc(Br)ccc1F
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 sulfide group.",c1ccc(-c2nnc3sc(C4CC5CCC4[NH2+]5)nn23)cc1
AddComponent,Modify the molecule CC1(C)C=CC(=O)c2cc3c(cc21)OCO3 by adding a aldehyde.,CC1(C)C(CC=O)=CC(=O)c2cc3c(cc21)OCO3
SubComponent,Substitute a CC(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)CC2)cc1Cl in the molecule halo with a nitro.,CC(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)N(C)C)ccc3NO)CC2)cc1Cl
DelComponent,Please remove a amide from the molecule Cn1nc(CC(=O)N2CCN(c3cccnn3)CC2)c2ccccc2c1=O.,Cn1nc(C2CCN(c3cccnn3)C2)c2ccccc2c1=O
LogP,Please modify the molecule COc1cc2c(cc1OC)C(O)(CNC(=O)C(C)=Cc1cccs1)CC2 to increase its LogP value.,COc1cc2c(cc1OC)C(O)(CNC(=O)C(C)=Cc1sccc1S)CC2
MR,Please modify the molecule Cc1cc(CCCC[NH2+]CC(C)C)n(C)n1 to increase its MR value.,Cc1cc(CCCC[NH2+]C(O)C(C)C)n(C)n1
QED,Optimize the molecule CC1COCCN1S(=O)(=O)CC1CCCC1(F)F to have a lower QED value.,CC1COCCN1S(=O)(=O)CC1CCCC1(F)C#N
AtomNum,"Please generate a molecule with 9 carbon atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCCc1c(C[NH3+])nnn1-c1nccs1
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(Cl)c(OCC(=O)N2CCC(c3ccnn3C)CC2)c1
FunctionalGroup,"There is a molecule consisting of 3 amide groups, 3 thioether groups, 1 thiol group, and 1 sulfide group.",CSCCC(NC(=O)C(CS)NC(=O)C(C)NC(=O)C[NH3+])C(=O)[O-]
AddComponent,Modify the molecule CC1OCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1C by adding a hydroxyl.,CC1OCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC(O)C3)cc2)C1C
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)(C)OC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(O)CCc1ccccc1 with a nitrile.,CC(C)(C)OC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(C#N)CCc1ccccc1
DelComponent,Modify the molecule halo by removing a CC(=O)NCc1ccc(S(=O)(=O)Oc2cccc(Cl)c2Cl)s1.,CC(=O)NCc1ccc(S(=O)(=O)Oc2cccc(Cl)c2)s1
LogP,Modify the molecule N#Cc1ccccc1-c1ccc(C[NH+]2CCC(O)C2)cc1 to have a higher LogP value.,N#Cc1ccccc1-c1ccc(C[NH+]2CCC(O)C2)cc1-c1ccccc1
MR,Modify the molecule CC(C)(C)OC(=O)C[NH+](C1CCCCC1)C1CC(C[NH+]2CCC(CCCc3ccc(F)c(F)c3)CC2)C(c2ccccc2)C1 to have a higher MR value.,CC(C)(C)OC(=O)C[NH+](C1CCCCC1)C1CC(C[NH+]2CCC(O)(CCCc3ccc(F)c(F)c3)CC2)C(c2ccccc2)C1
QED,Modify the molecule C[NH2+]CC(=O)N1CCN2C(=O)N(CC(N)=O)C(=O)C2C1 to have a lower QED value.,C[NH2+]CC(=O)N1CCN2C(=O)NC(=O)C2C1
AtomNum,"The molecule contains 23 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)Cn1c(C)cc(=O)cc1C
BondNum,"There is a molecule consisting of 15 single bonds, 1 double bond, 5 rotatable bonds, and 21 aromatic bonds.",Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(N(C)C5CC[NH+](C)CC5)nc4c3)s2)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, and 2 halo groups.",COc1cccc(OCCCOc2ccc(Cl)cc2Br)c1
AddComponent,Modify the molecule CCCCCOc1cc2cc(O)ccc2cc1Br by adding a benzene ring.,CC(CCCOc1cc2cc(O)ccc2cc1Br)c1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1cc(NC2CCC(C)(C)CC2)ccc1F with a carboxyl.,Cc1cc(NC2CCC(C)(C)CC2)ccc1C(=O)[OH]
DelComponent,Modify the molecule CC(=NO)C(=O)CBr by removing a hydroxyl.,CC(=N)C(=O)CBr
LogP,Optimize the molecule CCCOP(OCC1OC(n2ccc(NC(=O)c3ccc(CNC(=O)Cc4ccc(OC(=O)OCCN(C)C(=O)OCC5c6ccccc6-c6ccccc65)cc4)cc3)nc2=O)CC1OC(=O)CCC(C)=O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1 to have a higher LogP value.,CCCOP(OCC1OC(n2ccc(NC(=O)c3ccc(Cc4ccc(OC(=O)OCCN(C)C(=O)OCC5c6ccccc6-c6ccccc65)cc4)cc3)nc2=O)CC1OC(=O)CCC(C)=O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
MR,Modify the molecule COC(=O)c1ccc(C(=O)N(CCC#N)Cc2ccccn2)s1 to decrease its MR value.,CCN(Cc1ccccn1)C(=O)c1ccc(C(=O)OC)s1
QED,Modify the molecule CCCCNC(=O)N(CC(=O)Nc1cc(C)on1)C(C)CC to increase its QED value.,CCCCNC(=O)N(c1cc(C)on1)C(C)CC
AtomNum,"There is a molecule with 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",Cc1sc(-c2ccccc2)nc1C1=C([O-])C(C)(C)SC1=O
BondNum,"The molecule has 15 single bonds, 4 double bonds, and 3 rotatable bonds.",CC1C=C2N=CC(C(=O)NCC(C)(C)[NH3+])=CN2[NH2+]1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, 1 halo group, 1 sulfide group, and 1 sulfone group.",COc1cc(C)c(NS(=O)(=O)c2cnc(Cl)s2)cc1OC
AddComponent,Add a hydroxyl to the molecule CCC1(CN2CCC[NH2+]CC2)CCCC1.,CCC1(CN2CCC[NH2+]CC2)CCC(O)C1
SubComponent,Please substitute a halo in the molecule Cc1cc(C=NNC(=O)c2ccccc2O)c(C)n1-c1cc(Cl)cc(Cl)c1 with a nitro.,Cc1cc(C=NNC(=O)c2ccccc2O)c(C)n1-c1cc(Cl)cc(NO)c1
DelComponent,Remove a amide from the molecule CC(=O)NS(=O)(=O)c1ncccn1.,O=[SH](=O)c1ncccn1
LogP,Optimize the molecule CCOCCCn1c(SCc2nc(CC(C)C)no2)nc2ccc(Br)cc2c1=O to have a lower LogP value.,CCOCCCn1c(SCc2nc(CC(C)C)no2)nc2ccccc2c1=O
MR,Optimize the molecule Cc1cc(C(=O)N2C(C(=O)[O-])CC3CCCCC32)c(C)o1 to have a higher MR value.,Cc1cc(C(=O)N2C(C(=O)[O-])CC3CCC(C(=O)O)CC32)c(C)o1
QED,Modify the molecule C#CCN(C(=O)NCc1ccccc1)[NH+]1CC(=O)N2C(Cc3ccc(NC(=O)c4cccc5ccccc45)cc3)C(=O)N(Cc3cccc4ccccc34)CC21 to have a higher QED value.,C#CCN(C(=O)NCc1ccccc1)[NH+]1CC(=O)N2C(CNC(=O)c3cccc4ccccc34)C(=O)N(Cc3cccc4ccccc34)CC21
AtomNum,"Please generate a molecule with 13 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",Cc1nnc(SCC(=O)Nc2c(C)cc(Br)cc2C)s1
BondNum,"There is a molecule consisting of 9 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",c1ccc(CC2CC(c3ccccc3)CC[NH2+]2)cc1
FunctionalGroup,"There is a molecule composed of 1 amine group, and 1 halo group.",Cc1nc(Br)ccc1NC1CCCC(C)C1C
AddComponent,Please add a hydroxyl to the molecule [NH3+]CC1CCC(c2nnc(-c3ccnnc3)o2)CC1.,[NH3+]CC1CCC(c2nnc(-c3cnnc(O)c3)o2)CC1
SubComponent,Please substitute a hydroxyl in the molecule C[NH2+]CC(O)COCc1cccc(OC)c1 with a aldehyde.,CC(=O)C(C[NH2+]C)COCc1cccc(OC)c1
DelComponent,Remove a CNC(=O)C(C)[NH2+]CC(=O)Nc1ccccc1Br from the molecule amide.,CNC(=O)C(C)[NH2+]c1ccccc1Br
LogP,Please optimize the molecule CC1CN(c2c(F)cc(CBr)cc2F)CC[NH+]1C to have a lower LogP value.,CC1CN(c2c(F)cc(CBr)cc2NO)CC[NH+]1C
MR,Please modify the molecule CC(=O)OCC1(C)C(C)CCC2(C)C1CC(OC(=O)c1cccc(C)c1)C1(C)Oc3cc(-c4cccnc4)oc(=O)c3C(O)C21 to decrease its MR value.,CC(=O)OCC1(C)C(C)CCC2(C)C1CC(OC(=O)c1cccc(C)c1)C1(C)Oc3cc(-c4cccnc4)oc(=O)c3CC21
QED,Optimize the molecule Nc1ccc(N2CCCC2C2CCCC2)c2nonc12 to have a lower QED value.,c1cc(N2CCCC2C2CCCC2)c2nonc2c1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(NC(=O)CC(=O)Nc2nc(CC(=O)[O-])cs2)c(OCC(C)C)c1
BondNum,"There is a molecule composed of 9 single bonds, and 10 aromatic bonds.",Cc1c(C)c(C)c2c(C)c(C)c(C)c-2c(C)c1C
FunctionalGroup,There is a molecule composed of and 1 amide group.,CC(C)CNC(=O)C(C)[NH2+]C1CC[NH+]2CCC1C2
AddComponent,Modify the molecule Cc1ccc(NC(C)C(=O)Nc2ccc(F)cc2)cc1Cl by adding a amine.,Cc1cc(N)c(NC(C)C(=O)Nc2ccc(F)cc2)cc1Cl
SubComponent,Please substitute a halo in the molecule Cc1cc(Br)ccc1SCC(=O)Nc1cc(F)ccc1F with a nitro.,Cc1cc(NO)ccc1SCC(=O)Nc1cc(F)ccc1F
DelComponent,Modify the molecule Cc1cc(C)c(C(O)c2cc(C)ccc2Br)c(F)c1 by removing a hydroxyl.,Cc1cc(C)c(Cc2cc(C)ccc2Br)c(F)c1
LogP,Please modify the molecule O=C(CC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21)N1CCC(F)(F)CC1 to decrease its LogP value.,O=C(CC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21)N1CCC(F)CC1
MR,Modify the molecule COc1cc(-c2ncccc2Cl)cc(C#N)c1N to decrease its MR value.,COc1cc(-c2ncccc2Cl)ccc1N
QED,Please modify the molecule Cc1cc(C)cc(OCc2nc(CN(C(=O)c3cccc(Br)c3)C(C)C)cs2)c1 to increase its QED value.,Cc1cc(C)cc(OCc2nc(CN(C(=O)c3cccc(C#N)c3)C(C)C)cs2)c1
AtomNum,"There is a molecule with 38 carbon atoms, 6 oxygen atoms, 6 nitrogen atoms, and 1 fluorine atom.",COc1cc(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4ccc(F)cc4)c3C)CC2)ccc1NC(=O)c1ccccc1
BondNum,"There is a molecule with 1 single bond, 1 double bond, and 11 aromatic bonds.",O=c1c([O-])coc2ccccc12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 3 halo groups.",Cc1ccc2nc(-c3cccc(C(F)(F)F)c3)oc(=O)c2c1
AddComponent,Add a aldehyde to the molecule CC=CCN(C=[NH2+])CC(C)=O.,CC=CCN(CC(C)=O)C(=[NH2+])CC=O
SubComponent,Modify the molecule halo by substituting a COc1ccc2ncc(Cl)c(CCCC3(C(=O)[O-])CC[NH+](CCCSc4c(F)cccc4F)CC3)c2c1 with a nitrile.,COc1ccc2ncc(C#N)c(CCCC3(C(=O)[O-])CC[NH+](CCCSc4c(F)cccc4F)CC3)c2c1
DelComponent,Remove a Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2C(=O)CN2CC[NH+](C3CCS(O)(O)C3)CC2)c1 from the molecule amide.,Cc1cc(C)cc(-c2[nH]c3sc(CCC45CCC4CC5)cc3c2C(=O)CN2CC[NH+](C3CCS(O)(O)C3)CC2)c1
LogP,Modify the molecule CCOCCN(C)c1ncc(F)cc1C(=O)[O-] to have a lower LogP value.,CCOCCN(C)c1ncc(C#N)cc1C(=O)[O-]
MR,Modify the molecule Cc1sc(NN=Cc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 to decrease its MR value.,Cc1sc(NN=C[N+](=O)[O-])nc1-c1ccccc1
QED,Optimize the molecule CC(C)([NH3+])CC[NH+]1CCC(F)(F)CC1 to have a lower QED value.,CC(C)([NH3+])CC[NH+]1CCC(O)(F)CC1
AtomNum,"The molecule contains 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",NNC(=O)c1coc(CN2C(=O)CCCc3sccc32)c1
BondNum,"There is a molecule with 15 single bonds, 1 double bond, 10 rotatable bonds, and 17 aromatic bonds.",CCCOc1c(Br)cc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc1OCC
FunctionalGroup,"Please generate a molecule with 3 amine groups, 1 thioether group, and 1 sulfide group.",CC1=NN(c2nc(N)nc(CSC(N)=[NH2+])n2)C(C)(C)C1
AddComponent,Add a nitrile to the molecule CCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1ccc(OCC(F)(F)F)nc1.,CCN(CCN(C)c1nccc(C#N)c1C#N)C(=O)c1ccc(OCC(F)(F)F)nc1
SubComponent,Substitute a Cc1ccc(C)c(NC(=O)c2ccnc(NCCc3ccc(F)cc3)n2)c1 in the molecule halo with a carboxyl.,Cc1ccc(C)c(NC(=O)c2ccnc(NCCc3ccc(C(=O)[OH])cc3)n2)c1
DelComponent,Please remove a CC(=O)Cc1ccccc1CC(=O)NCCC(=O)[O-] from the molecule benzene ring.,CC(=O)CCC(=O)NCCC(=O)[O-]
LogP,Please optimize the molecule CN(C)C(=O)Sc1ccccc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 to have a lower LogP value.,CN(C)C(=O)Sc1ccccc1NS(=O)(=O)Cc1cc(O)c(Cl)c(Cl)c1
MR,Optimize the molecule CC1CCCN(C(=O)c2ccc(Cl)c(NC(=O)C[NH+]3CCC(C(=O)NCCC(=O)Nc4cccc(F)c4)CC3)c2)C1 to have a lower MR value.,CC1CCCN(C(=O)c2ccc(O)c(NC(=O)C[NH+]3CCC(C(=O)NCCC(=O)Nc4cccc(F)c4)CC3)c2)C1
QED,Please modify the molecule CSc1nc(-c2ccc3[nH+]c(C)cc(N)c3c2)nc(-c2ccnc3ccccc23)n1 to decrease its QED value.,CSc1nc(-c2ccc3[nH+]c(C)ccc3c2)nc(-c2ccnc3ccccc23)n1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC[NH2+]CC1(C[NH+]2CCCCC2CCO)CCOCC1
BondNum,"There is a molecule with 16 single bonds, 2 double bonds, 7 rotatable bonds, and 5 aromatic bonds.",Cc1nn(C)c(C)c1CCNS(=O)(=O)CCC1CCOCC1
FunctionalGroup,"The molecule has 3 benzene ring groups, and 1 ester group.",CCCCOC(=O)CCc1ccccc1P(=O)(c1ccccc1)c1ccccc1
AddComponent,Please add a benzene ring to the molecule CCCCCCCCCCCCCCCCc1ccc(B2OC(C)(C)C(C)(C)O2)s1.,CCCCCCCCCCC(CCCCCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)c1ccccc1
SubComponent,Please substitute a O=C(NC1CCCOc2ccc(F)cc21)N1CCOC(c2nccs2)C1 in the molecule halo with a nitrile.,N#Cc1ccc2c(c1)C(NC(=O)N1CCOC(c3nccs3)C1)CCCO2
DelComponent,Modify the molecule halo by removing a CC(C)[NH+]1CCN(C(=O)C2CCC(N(CC(F)(F)F)S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1.,CC(C)[NH+]1CCN(C(=O)C2CCC(N(CC(F)(F)F)S(=O)(=O)c3cccc(Cl)c3)CC2)CC1
LogP,Modify the molecule CCC[NH+]1CCC(C[NH3+])(c2ccccc2OC)CC1 to decrease its LogP value.,CCC[NH+]1CCC(C[NH3+])(OC)CC1
MR,Modify the molecule C=CCn1c(=O)c(Br)cn(C(=O)OC(C)(C)C)c1=O to have a lower MR value.,C=CCn1c(=O)c(S)cn(C(=O)OC(C)(C)C)c1=O
QED,Optimize the molecule CCn1nc(C)c(N)c1NCC1C[NH+]2CCCC2CO1 to have a lower QED value.,CCn1nc(C)c(N)c1NCC1OCC2CCC[NH+]2C1O
AtomNum,"The molecule has 23 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CC(C)[NH+]=C(N)c1ccc(-c2cc(-c3cccc(C(N)=[NH+]C(C)C)c3)no2)cc1
BondNum,"The molecule consists of 10 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCC([NH3+])Cc1ccc(OCc2ccc(C)cc2)c(F)c1
FunctionalGroup,"The molecule is composed of 1 halo group, 1 thioether group, and 2 sulfide groups.",Cc1nc(C)c(C(=O)[O-])c(SCc2sccc2Br)n1
AddComponent,Add a benzene ring to the molecule O=C(N1CCc2ccc([N+](=O)[O-])cc21)C1(c2ccccc2F)CC1.,O=C(N1CCc2ccc([N+](=O)[O-])cc21)C1(c2ccccc2F)CC1c1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1Cl with a aldehyde.,CC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1OCC(=O)[O-]
DelComponent,Please remove a amide from the molecule CCOC(=O)C=CC(=O)OC(C)C(=O)Nc1ccc(C(C)=O)cc1.,CCOC(=O)C=CC(=O)OCc1ccc(C(C)=O)cc1
LogP,Please modify the molecule CC(C)CNC(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3cc(C(=O)NC4CCCCC4)ccc3Cl)CC2)ccc1Cl to increase its LogP value.,CC(C)CNC(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3cc(C(=O)NC4CCCCC4)ccc3Cl)CC2)ccc1Cl
MR,Please modify the molecule CC(C)CC(Cl)CCc1ccn(C2CCCC2)n1 to decrease its MR value.,CC(C)CCCCc1ccn(C2CCCC2)n1
QED,Optimize the molecule Cc1ccc(OC(C)c2nc(C3CC(=O)N(C)C3)no2)c(Br)c1 to have a higher QED value.,Cc1ccc(OC(C)c2nc(C3CC(=O)N(C)C3)no2)c(C(=O)[OH])c1
AtomNum,"The molecule has 19 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COC(=O)c1cc(CNC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)ccc1OC
BondNum,"The molecule contains 11 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCCCN(C)CC([NH3+])c1cc(C)ccc1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 1 amine group.",CC(=O)N1CCN(c2nccnc2-c2ccc(N)cc2)CC1
AddComponent,Modify the molecule CCC1CCC[NH+](CC(=O)c2ccc(O)cc2)C1 by adding a aldehyde.,CCC1CCC[NH+](CC(=O)c2ccc(O)cc2CC=O)C1
SubComponent,Please substitute a halo in the molecule COc1ccnc2c1CN(c1cccc(C(F)(F)F)c1)C2=O with a nitrile.,COc1ccnc2c1CN(c1cccc(C(F)(F)C#N)c1)C2=O
DelComponent,Modify the molecule benzene ring by removing a COC(=O)CCc1csc(Nc2cccc(C)c2)n1.,CNc1nc(CCC(=O)OC)cs1
LogP,Modify the molecule O=C([O-])c1ccc2c(Sc3cccc(Br)c3)ncnc2c1 to have a lower LogP value.,Nc1cc(C(=O)[O-])cc2ncnc(Sc3cccc(Br)c3)c12
MR,Modify the molecule O=C(C[N+](=O)[O-])NCCN1C(=O)CSC1=O to have a lower MR value.,O=C(NCCN1C(=O)CSC1=O)O[O-]
QED,Modify the molecule COC(=O)N(C)C1CC(C)N(C)c2c(C)c(C)c(C)c(C)c21 to increase its QED value.,Cc1c(C)c(C)c2c(c1C)C(N(C)C(=O)OCN)CC(C)N2C
AtomNum,"There is a molecule consisting of 6 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CNc1nc(C)nc(N)c1[N+](=O)[O-]
BondNum,"There is a molecule composed of 10 single bonds, 3 double bonds, 7 rotatable bonds, and 22 aromatic bonds.",Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)s1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 2 amide groups, 2 halo groups, and 1 sulfone group.",CC(C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
AddComponent,Modify the molecule CC(C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(Cl)c2c(c1)OCO2 by adding a benzene ring.,CC(C[NH+]1CCN(c2cccc(-c3ccccc3)n2)CC1)NC(=O)c1cc(Cl)c2c(c1)OCO2
SubComponent,Substitute a halo in the molecule CC1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)CC1 with a hydroxyl.,CC1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(O)cc3F)cc2)CC1
DelComponent,Modify the molecule O=C(CCC(=O)N1CCc2sccc2C1)NCC1CCC[NH2+]1 by removing a amide.,O=C(CC1CCc2sccc21)NCC1CCC[NH2+]1
LogP,Please modify the molecule O=C1c2c([O-])cccc2C(Br)c2cccc([O-])c21 to decrease its LogP value.,O=C1c2c([O-])cccc2C(Br)c2ccc(O)c([O-])c21
MR,Please modify the molecule Cc1cc(C)c(C2=C(OC(=O)C(C)(C)CCl)C3CCCCN3C2=O)c(C)c1 to increase its MR value.,Cc1cc(C)c(C2=C(OC(=O)C(C)(C)CC(=O)[OH])C3CCCCN3C2=O)c(C)c1
QED,Please optimize the molecule C=CC=C1C(=C(C)C(F)F)CCC2(C)C[NH+](Cc3ccccc3)CC12 to have a higher QED value.,C=CC=C1C(=C(C)CF)CCC2(C)C[NH+](Cc3ccccc3)CC12
AtomNum,"The molecule has 13 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",C[NH+]1CCC(COC(=O)Oc2ccc([N+](=O)[O-])cc2)C1
BondNum,"There is a molecule composed of 14 single bonds, 3 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)c1
FunctionalGroup,There is a molecule composed of and 1 halo group.,CCN(CC[NH2+]C(C)C)c1ncnc(C)c1F
AddComponent,Modify the molecule CN(C)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2)cc1 by adding a nitrile.,CN(C)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2C#N)cc1
SubComponent,Substitute a halo in the molecule C[NH2+]CC1CCC(C)(C)CC1c1cc(Cl)ccc1OC with a nitrile.,C[NH2+]CC1CCC(C)(C)CC1c1cc(C#N)ccc1OC
DelComponent,Please remove a CC1(CNC(=O)C2CCCCC2C[NH3+])CCCO1 from the molecule amide.,CC1(CC2(C[NH3+])CCCC2)CCCO1
LogP,Please optimize the molecule C#CCc1ccccc1OCC(O)C[NH+]1CCC(c2c[nH]c3ccccc23)CC1 to have a higher LogP value.,C#CCc1ccccc1OCCC[NH+]1CCC(c2c[nH]c3ccccc23)CC1
MR,Please optimize the molecule c1ccc(C2NC(n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)=[NH+]C(c3ccccc3)N2)cc1 to have a lower MR value.,c1ccc(C2NC(n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)=[NH+]C2c2ccccc2)cc1
QED,Optimize the molecule CC1CCC(C)(C2CCCN(C(=O)c3ccon3)C2)c2nnc(-c3c(F)cccc3F)cc21 to have a higher QED value.,CC1CCC(C)(C2CCCN(C(=O)c3ccon3)C2)c2nnc(-c3ccccc3F)cc21
AtomNum,"There is a molecule consisting of 27 carbon atoms, 11 oxygen atoms, and 1 nitrogen atom.",CCOC(=O)C(c1ccc2c(c1)OCO2)C1(NC(=O)c2ccccc2)C(=O)C(C(=O)OC)C(=O)C1C(=O)OC
BondNum,"Please generate a molecule composed of 11 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",CCc1c(C(=O)OC(C)(C)C)[nH]c(C=O)c1-c1cccc(Cl)c1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 1 amide group, and 1 halo group.",CC(Oc1ccccc1F)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1
AddComponent,Please add a carboxyl to the molecule CC(C)(C)[Si](C)(C)OCC1C(OC2CCCCO2)CC(O)C1CCC1CCCC(=O)O1.,CC(C)(CC(=O)O)[Si](C)(C)OCC1C(OC2CCCCO2)CC(O)C1CCC1CCCC(=O)O1
SubComponent,Substitute a halo in the molecule CC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Br)cc1O with a hydroxyl.,CC(Oc1ccc(O)cc1)C(=O)NNC(=O)c1ccc(Br)cc1O
DelComponent,Modify the molecule halo by removing a COc1ccc(C2=C(Cl)N(C=O)CCC2)cc1.,COc1ccc(C2=CN(C=O)CCC2)cc1
LogP,Please modify the molecule CC(c1ccc(Cl)cc1)N(C)C(=O)Cc1csc(-c2ccco2)n1 to decrease its LogP value.,CC(c1ccc(C(=O)[OH])cc1)N(C)C(=O)Cc1csc(-c2ccco2)n1
MR,Please optimize the molecule C=Cc1ccc([Se]Br)cc1 to have a higher MR value.,NC=Cc1ccc([Se]Br)cc1
QED,Please optimize the molecule Oc1ccc2c(c1)CCCC(c1ccc(C(F)(F)F)nc1Cl)=C2c1ccc(OC2CC[NH+](CCCF)C2)cc1 to have a lower QED value.,Oc1ccc2c(c1)CCCC(c1ccc(C(F)(F)S)nc1Cl)=C2c1ccc(OC2CC[NH+](CCCF)C2)cc1
AtomNum,"The molecule contains 18 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",COc1ccc(C)cc1-n1ccc(C(=O)N2CC(n3ccnc3)C2)n1
BondNum,"The molecule is composed of 17 single bonds, 2 double bonds, and 6 rotatable bonds.",COC(=O)CCCCC1CC2COC(C=O)C2C1
FunctionalGroup,"Please generate a molecule with 1 halo group, and 1 nitrile group.",Cn1[nH]c(CC(C)(C)C#N)c(Cl)c1=O
AddComponent,Add a hydroxyl to the molecule Cc1ccccc1Cc1noc(C[NH+](C)CCO)n1.,Cc1cccc(O)c1Cc1noc(C[NH+](C)CCO)n1
SubComponent,Please substitute a halo in the molecule C=N[N+](=C1SC(C)(C)C(=O)N1c1c(C)cccc1C)c1ccc2c(ccc3c2ncn3-c2ccc(OC(F)(F)F)cc2)c1 with a nitrile.,C=N[N+](=C1SC(C)(C)C(=O)N1c1c(C)cccc1C)c1ccc2c(ccc3c2ncn3-c2ccc(OC(F)(F)C#N)cc2)c1
DelComponent,Remove a amide from the molecule Cc1nn(C)c2[nH+]ccc(NCCNC(=O)C=CC(F)(F)F)c12.,Cc1nn(C)c2[nH+]ccc(NCCCC(F)(F)F)c12
LogP,Please modify the molecule Cc1ccc(CO)cc1S(=O)(=O)N1CCCOC(C)C1 to decrease its LogP value.,Cc1ccc(CNO)cc1S(=O)(=O)N1CCCOC(C)C1
MR,Please modify the molecule CC[NH2+]Cc1ccc(COc2cncc(Cl)c2)cc1 to increase its MR value.,O=C(O)CC[NH2+]Cc1ccc(COc2cncc(Cl)c2)cc1
QED,Modify the molecule COc1nc(C)c2oc(N)c(N)c2c1-c1ccc(F)c(Cl)c1 to increase its QED value.,COc1nc(C)c2occ(N)c2c1-c1ccc(F)c(Cl)c1
AtomNum,"There is a molecule composed of 32 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 chlorine atom.",Cc1cc(Cl)ccc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)N3CCCC(C)C3)c2C)CC1
BondNum,"There is a molecule consisting of 9 single bonds, 3 rotatable bonds, and 17 aromatic bonds.",Fc1ccc(CNc2nc(C(F)(F)F)nc3c(F)cccc23)cc1
FunctionalGroup,There is a molecule composed of and 1 amide group.,O=C(c1ccc2nc[nH]c2c1)N1CCCOCC1
AddComponent,Please add a thiol to the molecule COCCC(NC(=O)c1ccc(N)cc1-c1cccs1)C(=O)OC.,COCCC(NC(=O)c1ccc(N)cc1-c1cc(S)cs1)C(=O)OC
SubComponent,Modify the molecule Cc1ccc(-c2csc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)cc1C by substituting a halo with a thiol.,Cc1ccc(-c2csc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(S)cc4)cc3)n2)cc1C
DelComponent,Modify the molecule benzene ring by removing a O=C([O-])CCn1cnc(-c2ccc(Br)cc2)n1.,O=C([O-])CCn1cnc(Br)n1
LogP,Please modify the molecule CCOC(=O)C(C)(C)c1ccc2c(c1)c(C(C)CNC(=O)C1(OC(=O)OC(C)(C)C)CC1)c(-c1cc(C)cc(C)c1)n2C(=O)[O-] to decrease its LogP value.,CCOC(=O)C(C)(C)c1ccc2c(c1)c(C(C)CNC(=O)C1(OC(=O)OC(C)(C)C)CC1)c(CC)n2C(=O)[O-]
MR,Please modify the molecule OCc1cccc(NCc2cc(F)c(F)c(F)c2)c1 to decrease its MR value.,Cc1cccc(NCc2cc(F)c(F)c(F)c2)c1
QED,Please modify the molecule CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 to decrease its QED value.,CCN(F)S(=O)(=O)c1ccc(C)cc1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC(Cc1ccccc1[N+](=O)[O-])C(O)c1ccccc1
BondNum,"Please generate a molecule with 29 single bonds, 5 double bonds, 11 rotatable bonds, and 18 aromatic bonds.",CNC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(C)c4)c3)C(C)C)CC2)c1C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amine groups, and 2 halo groups.",Cc1nc(-c2ccc(Cl)cc2F)c(N)n1N
AddComponent,Add a thiol to the molecule COc1ccc(-c2cccc(C(=O)Nc3ccc(NC(C)=O)cc3)c2)cc1.,COc1ccc(-c2cccc(C(=O)Nc3ccc(NC(C)=O)cc3)c2)c(S)c1
SubComponent,Substitute a hydroxyl in the molecule CC(=O)OC1C=CC(C)(O)C2C3OC(=O)C(C)C3CCC12C with a carboxyl.,CC(=O)OC1C=CC(C)(C(=O)[OH])C2C3OC(=O)C(C)C3CCC12C
DelComponent,Modify the molecule amide by removing a Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1.,Cc1ccc(C)c(-n2c(C)nnc2[SH]2CC[NH+](Cc3cccnc3)CC2)c1
LogP,Optimize the molecule CC(C)C(O)(c1cncnc1)C(F)(F)c1ccc(C#Cc2ccc(Cl)cc2)cn1 to have a lower LogP value.,CC(C)C(O)(c1cncnc1)C(F)(F)c1ccc(C#CCl)cn1
MR,Modify the molecule CCC(C)C(=O)N1CCCCC1C(N)=S to decrease its MR value.,CC(C)C1(C(N)=S)CCCC1
QED,Modify the molecule CCc1ccc(Sc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 to have a lower QED value.,CCc1ccc(Sc2ccc([N+](=O)[O-])cc2C(F)(F)NO)cc1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",O=S(=O)(NCC(O)c1ccccc1)c1ccc(Cl)cc1F
BondNum,"There is a molecule consisting of 32 single bonds, 5 double bonds, 11 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)C(C)C)CC1
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 nitro group, and 1 sulfide group.",COc1csc2cc([N+](=O)[O-])cc(O)c12
AddComponent,Add a hydroxyl to the molecule CCC(NC(=O)c1ccc(C[NH3+])cc1)c1ccccc1OCC(=O)N1CCCC1.,CCC(NC(=O)c1ccc(C[NH3+])cc1)c1ccccc1OCC(=O)N1CCC(O)C1
SubComponent,Substitute a halo in the molecule Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2)CC1 with a nitrile.,Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CC1
DelComponent,Please remove a amide from the molecule C[NH+]1CC(=O)NC1c1cnc(N2CCOCC2)s1.,C[NH+]Cc1cnc(N2CCOCC2)s1
LogP,Modify the molecule Cc1cccc(C)c1NC(=O)COc1c(I)cc(Cl)c2cccnc12 to decrease its LogP value.,CC(=O)c1cc(Cl)c2cccnc2c1OCC(=O)Nc1c(C)cccc1C
MR,Modify the molecule Cc1cccc(COc2c(-c3ccc(C(C)(C)C)cc3)oc3ccccc3c2=O)c1 to have a lower MR value.,CCOc1c(-c2ccc(C(C)(C)C)cc2)oc2ccccc2c1=O
QED,Optimize the molecule CC[NH+]1CCN(c2c(CN(C(=O)c3ccccc3F)C(C)C)c(C)nn2-c2ccccc2)CC1 to have a lower QED value.,CC[NH+]1CCN(c2c(CN(C(=O)c3ccccc3C(=O)[OH])C(C)C)c(C)nn2-c2ccccc2)CC1
AtomNum,"Please generate a molecule with 20 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Cn1cc(C#N)c2ccc(Nc3ncc(-c4ccccc4C[NH3+])o3)cc21
BondNum,"The molecule consists of 15 single bonds, 1 double bond, 8 rotatable bonds, and 12 aromatic bonds.",C[NH+]=C(NCCc1ccc(C)c(OC)c1)NCc1ccccc1OC(F)F
FunctionalGroup,There is a molecule composed of and 2 amide groups.,O=C(CN1C(=O)c2ccccc2Oc2ncccc21)NCc1cccnc1
AddComponent,Modify the molecule CC(=O)N1CCN(c2ccc(C#N)c(C(=O)[O-])c2)CC1 by adding a hydroxyl.,CC(=O)N1CCN(c2ccc(C#N)c(C(=O)[O-])c2)C(O)C1
SubComponent,Substitute a CCCCc1ccc(C(N)=O)cc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F in the molecule halo with a aldehyde.,CC(=O)c1cccc(F)c1-n1c(=O)ccc2c(-c3cc(C(N)=O)ccc3CCCC)nc(S(C)(=O)=O)nc21
DelComponent,Please remove a benzene ring from the molecule CC(Cc1ccc(S(=O)(=O)c2cccc(-c3cccc(C(=O)[O-])c3)c2)cc1)NC(=O)C(F)(F)F.,CC(Cc1ccc(S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1)NC(=O)C(F)(F)F
LogP,Optimize the molecule CCNC(=O)C1CC(NC(=O)c2[nH]ncc2Cl)CN1C(=O)C1CCC1 to have a lower LogP value.,CCNC(=O)C1CC(NC(=O)c2ccn[nH]2)CN1C(=O)C1CCC1
MR,Please modify the molecule Nc1ccc(O)c(C(=O)OCN2C(=O)c3ccccc3C2=O)c1 to decrease its MR value.,O=C(OCN1C(=O)c2ccccc2C1=O)c1ccccc1O
QED,Please modify the molecule Nc1cc(C(=O)OCC(=O)NC(c2ccccc2)c2cccs2)ccc1Cl to increase its QED value.,Nc1cccc(C(=O)OCC(=O)NC(c2ccccc2)c2cccs2)c1
AtomNum,"The molecule consists of 29 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, 2 fluorine atoms, and 1 chlorine atom.",CC12C=CC(=O)C=C1C(F)CC1C3CC4CN(Cc5ccc(Cl)cc5)OC4(C(=O)CO)C3(C)CC(O)C12F
BondNum,"The molecule has 5 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",Cc1ccc2c(Cn3cnc([N+](=O)[O-])n3)cc(=O)oc2c1
FunctionalGroup,"There is a molecule with 1 hydroxyl group, and 2 halo groups.",OCc1nc(-c2ncc(Br)cc2Br)no1
AddComponent,Modify the molecule COC(=O)C(=O)N(Cc1ccc(C(C)(C)C)cc1)c1ccc(-c2ccc(C)cc2)cc1 by adding a amine.,COC(=O)C(=O)N(Cc1ccc(C(C)(C)CN)cc1)c1ccc(-c2ccc(C)cc2)cc1
SubComponent,Modify the molecule O=S(=O)(NCC1CC(O)C1)c1ccn[nH]1 by substituting a hydroxyl with a carboxyl.,O=C([OH])C1CC(CNS(=O)(=O)c2ccn[nH]2)C1
DelComponent,Remove a CC(C)(C)[Si](C)(C)OC1C(CC=CCO)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1 from the molecule benzene ring.,COCC1OC(CC=CCO)C(O[Si](C)(C)C(C)(C)C)C(OCc2ccccc2)C1OCc1ccccc1
LogP,Optimize the molecule Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)Nc2cccc(F)c2)CC1 to have a lower LogP value.,Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)[OH])c2)CC1
MR,Please optimize the molecule CN(C)c1c(F)c(F)c(C(=O)[O-])c(C(=O)[O-])c1F to have a higher MR value.,CN(C)c1c(F)c(C(=O)[O-])c(C(=O)[O-])c(F)c1S
QED,Please optimize the molecule COc1ccccc1N1CCN(C(=O)c2cccc(C)c2C)CC1 to have a lower QED value.,CON1CCN(C(=O)c2cccc(C)c2C)CC1
AtomNum,"The molecule contains 13 carbon atoms, 1 nitrogen atom, and 3 fluorine atoms.",CC[NH+]1CCCC1c1ccccc1C(F)(F)F
BondNum,"Please generate a molecule composed of 6 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",Cc1ccc2nc(NC(=O)c3cc([S-])ccc3C)sc2c1
FunctionalGroup,The molecule consists of and 1 amine group.,CCN(CC)P(=O)(N(CC)CC)n1ncnc1N
AddComponent,Please add a aldehyde to the molecule CCCCCCCC(Cc1ccccn1)[NH2+]CC.,CC[NH2+]C(CCCCCCCCC=O)Cc1ccccn1
SubComponent,Substitute a COC1CC(C)CC2=CC(=O)C=C(NC(=O)C(C)=CCCC(C)C(OC(N)=O)C(C)=CC(C)C1O)C2=O in the molecule hydroxyl with a aldehyde.,CC(=O)C1C(C)C=C(C)C(OC(N)=O)C(C)CCC=C(C)C(=O)NC2=CC(=O)C=C(CC(C)CC1OC)C2=O
DelComponent,Please remove a nitrile from the molecule Cc1c(C=C(C#N)c2nc3ccccc3[nH]2)c2ccccc2n1C.,Cc1c(C=Cc2nc3ccccc3[nH]2)c2ccccc2n1C
LogP,Modify the molecule CCCCCCC(CCC)Oc1cccc(O)c1 to have a higher LogP value.,CCCCCCC(CCC)Oc1cccc(C#N)c1
MR,Please modify the molecule N#Cc1cnc(Nc2ccc(S(=O)(=O)NCCC[NH+]3CCOCC3)cc2)nc1N to decrease its MR value.,N#Cc1cnc(NS(=O)(=O)NCCC[NH+]2CCOCC2)nc1N
QED,Modify the molecule CC[NH2+]Cc1cnc(Oc2ncn(C)n2)cn1 to have a lower QED value.,CC[NH2+]Cc1cnc(Oc2ncn(C)n2)c(-c2ccccc2)n1
AtomNum,"The molecule has 11 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",C#CC(CC)[NH2+]C(C)C1CCCO1
BondNum,"Please generate a molecule composed of 12 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1CC[NH+](Cc2cccc(CO)c2F)CC1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 3 halo groups.",CC[NH2+]C(c1ccc(Cl)c(OC)c1)c1cc(I)ccc1Br
AddComponent,Please add a amine to the molecule Cc1ccc2c(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)cc(C)c(O)c2c1.,Cc1ccc2c(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)cc(C)c(O)c2c1N
SubComponent,Please substitute a thiol in the molecule CN(C)C(=O)C(S)Cc1ccccc1 with a halo.,CN(C)C(=O)C(Br)Cc1ccccc1
DelComponent,Modify the molecule hydroxyl by removing a Cc1cc(CN2CCCCc3ccccc32)cc(C)c1O.,Cc1cc(C)cc(CN2CCCCc3ccccc32)c1
LogP,Please optimize the molecule CCc1ccc(N2CC(C(=O)Nc3ccc(-c4nccs4)cc3)CC2=O)cc1 to have a lower LogP value.,CCc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1
MR,Optimize the molecule O=C(COc1ccc(F)cc1)N1CC2CC(C1)C1CCCC(=O)N1C2 to have a higher MR value.,O=C(COc1ccc(O)cc1)N1CC2CC(C1)C1CCCC(=O)N1C2
QED,Modify the molecule O=C(NCCc1ncn[nH]1)c1cc2ccccc2o1 to increase its QED value.,N#Cc1ccc2oc(C(=O)NCCc3ncn[nH]3)cc2c1
AtomNum,"There is a molecule composed of 31 carbon atoms, and 4 nitrogen atoms.",c1ccc(C(c2ccccc2)n2ccc3ccc(N4CC[NH+](Cc5ccccn5)CC4)cc32)cc1
BondNum,"Please generate a molecule consisting 7 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 6 aromatic bonds.",C#CCCNc1ccc(NC(C)=O)cc1
FunctionalGroup,Please generate a molecule composed of and 1 hydroxyl group.,CC#CC(C(O)C(C)C)[Si](C)(C)C
AddComponent,Please add a aldehyde to the molecule CCNC(C)(C#N)CC[NH+](CC(C)C)C(C)C.,CCNC(C)(C#N)CC[NH+](CC(C)C)C(C)(C)CC=O
SubComponent,Modify the molecule halo by substituting a CN(CC(O)C1CC1)C(=O)C1Cc2cccc(F)c2O1 with a nitro.,CN(CC(O)C1CC1)C(=O)C1Cc2cccc(NO)c2O1
DelComponent,Modify the molecule benzene ring by removing a CCc1cccc(CC)c1NC(=O)COC(=O)c1c(C)noc1C(C)C.,CCN(CC)C(=O)COC(=O)c1c(C)noc1C(C)C
LogP,Modify the molecule CCOC(=O)C=CC=C(c1ccc(-n2c(C)ccc2C)cc1)c1ccc(C(F)(F)F)cc1 to have a lower LogP value.,CCOC(=O)C=CC=C(c1ccc(C(F)(F)F)cc1)n1c(C)ccc1C
MR,Please modify the molecule Cc1cccc(C[NH+](C)CC(C)(CO)CO)c1O to decrease its MR value.,COC[NH+](C)CC(C)(CO)CO
QED,Please optimize the molecule CC(C)C(=O)C1CCC(OC(C)(C)C)CC1 to have a higher QED value.,CC(C)C(=O)C1CCC(OC(C)(C)C)(c2ccccc2)CC1
AtomNum,"There is a molecule consisting of 32 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",CCCCCCCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)CC)C(C(=O)NCCC(=O)OCC)c1cccc(C)c1
BondNum,"There is a molecule consisting of 11 single bonds, 3 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",Cc1cccc(C(=O)N2CCc3ccccc3C2C(C)C)c1
AddComponent,Add a carboxyl to the molecule CC=CCCCCCC[NH+](CC(O)CO)CC(O)CO.,CC=C(CCCCCC[NH+](CC(O)CO)CC(O)CO)C(=O)O
SubComponent,Substitute a halo in the molecule CC(C)C(N)=[NH+]c1ccc(Br)cc1F with a nitro.,CC(C)C(N)=[NH+]c1ccc(NO)cc1F
DelComponent,Remove a amine from the molecule CC(=O)NC1C(OC2C(C(=O)[O-])OC(OC3C(O)C(COS(=O)(=O)[O-])OC(OCC(O)C(O)C(O)C(O)CNc4cccc(NC(=O)CCCCC5CCSS5)c4)C3NC(C)=O)C(OS(=O)(=O)[O-])C2O)OC(COS(=O)(=O)[O-])C(O)C1OC1OC(C(=O)[O-])C(O)C(O)C1O.,CC(=O)NC1C(OC2C(C(=O)[O-])OC(OC3C(O)C(COS(=O)(=O)[O-])OC(OCC(O)C(O)C(O)C(O)Cc4cccc(NC(=O)CCCCC5CCSS5)c4)C3NC(C)=O)C(OS(=O)(=O)[O-])C2O)OC(COS(=O)(=O)[O-])C(O)C1OC1OC(C(=O)[O-])C(O)C(O)C1O
LogP,Optimize the molecule Cn1c(Sc2ccc(C(=O)[O-])cc2[N+](=O)[O-])n[nH]c1=O to have a higher LogP value.,Cn1c(Sc2ccc(C(=O)[O-])c(-c3ccccc3)c2[N+](=O)[O-])n[nH]c1=O
MR,Please modify the molecule COC(=O)c1ccccc1OCC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C to decrease its MR value.,COC(=O)c1ccccc1OCC(=O)c1cc(C)n(-c2ccccc2)c1C
QED,Modify the molecule COC(=O)NC1CC(c2c(C)nc3n(C)c4ncn(Cc5ccccc5)c4c(=O)n23)OC1=O to increase its QED value.,COC(=O)NC1CC(c2c(C)nc3n(C)c4ncn(C)c4c(=O)n23)OC1=O
AtomNum,"Please generate a molecule with 15 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",CCOc1ccc(NC(=O)C(C)n2nnc(C(N)=O)c2C)cc1
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, 8 rotatable bonds, and 17 aromatic bonds.",Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1ccc(OC(F)F)cc1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, 3 halo groups, 1 sulfide group, and 1 sulfone group.",O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1
AddComponent,Please add a benzene ring to the molecule N#Cc1cc(F)cc(N2CCOCC2C(=O)NC2CC2)c1.,N#Cc1cc(N2CCOCC2C(=O)NC2CC2)cc(F)c1-c1ccccc1
SubComponent,Please substitute a CCOC(=O)C[N+]1=CC(c2cccc(C(=O)N3CC(O)CC3C(=O)NCc3ccc(Cl)cc3)c2)N=N1 in the molecule halo with a carboxyl.,CCOC(=O)C[N+]1=CC(c2cccc(C(=O)N3CC(O)CC3C(=O)NCc3ccc(C(=O)[OH])cc3)c2)N=N1
DelComponent,Modify the molecule hydroxyl by removing a CC(O)CC(C)(C)CNC(=O)NC(c1nccs1)C1CC1.,CCCC(C)(C)CNC(=O)NC(c1nccs1)C1CC1
LogP,Optimize the molecule OCCCCCCNc1ccc(Br)cc1Cl to have a higher LogP value.,N#CCCCCCCNc1ccc(Br)cc1Cl
MR,Modify the molecule CCc1ncccc1C(O)c1ccc(Br)cc1 to decrease its MR value.,CCc1ncccc1C(O)Br
QED,Modify the molecule Cc1ccccc1C1[NH2+]C2(CC2)C(=O)N1CC(C)S(C)=O to decrease its QED value.,CC1[NH2+]C2(CC2)C(=O)N1CC(C)S(C)=O
AtomNum,"There is a molecule consisting of 29 carbon atoms, and 1 oxygen atom.",COc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c3ccccc23)cc1
BondNum,"Please generate a molecule with 24 single bonds, 3 double bonds, and 5 rotatable bonds.",CC(=O)N1CCCC(NS(C)(=O)=O)C1COC1CCC(C(F)(F)F)CC1
FunctionalGroup,There is a molecule with and 1 amide group.,CC(C)n1c(CCNC(=O)c2cc(C(=O)[O-])ccn2)nc2ccccc21
AddComponent,Please add a benzene ring to the molecule CCC(C[NH2+]CC(C)C)n1nc(C)c(C)c1C.,Cc1nn(C(C[NH2+]CC(C)C)C(C)c2ccccc2)c(C)c1C
SubComponent,Modify the molecule nitrile by substituting a CN1C2CC(c3cccc(CNC(=O)c4ccccc4C#N)c3)=CC=C2N(CC2CC2)S1(=O)=O with a aldehyde.,CC(=O)c1ccccc1C(=O)NCc1cccc(C2=CC=C3C(C2)N(C)S(=O)(=O)N3CC2CC2)c1
DelComponent,Modify the molecule amine by removing a CC(C)c1c(-c2ccc(N)cc2)nc2c(C#N)c[nH]n2c1=O.,CC(C)c1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O
LogP,Modify the molecule C[NH+](CCO)Cc1nc(N)c2c3c(sc2n1)CCCC3 to increase its LogP value.,C[NH+](CCC#N)Cc1nc(N)c2c3c(sc2n1)CCCC3
MR,Modify the molecule CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(-c2cccc(C#N)c2)cc1 to increase its MR value.,CCc1nc2ccc(NO)cn2c1C(=O)NCc1ccc(-c2cccc(C#N)c2)cc1
QED,Optimize the molecule COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCC3CC3(Cl)Cl)nnc12 to have a lower QED value.,COc1ccccc1C(c1ccccc1)n1c(=O)c2ccccc2n2c(SCC3CC3(Cl)Cl)nnc12
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)NCCOC)c2C)cc1
BondNum,"There is a molecule with 10 single bonds, 1 double bond, 6 rotatable bonds, and 18 aromatic bonds.",CCc1cccc(C)c1Nc1cncc(C(=O)Nc2ccc(OC)cc2)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",Cc1cccc(NC(=O)CN2CC[NH+](Cn3c(=S)n(C)c4ccccc43)CC2)c1C
AddComponent,Add a benzene ring to the molecule CCc1c(NCc2nnc(C)s2)nc(C(=O)[O-])nc1OCC1CC1c1ccc(C)cn1.,CCc1c(NCc2nnc(C)s2)nc(C(=O)[O-])nc1OCC1CC1c1ccc(C)c(-c2ccccc2)n1
SubComponent,Please substitute a nitrile in the molecule N#Cc1cnc(C(N)=O)c(NCc2ccc(N)cc2)n1 with a aldehyde.,CC(=O)c1cnc(C(N)=O)c(NCc2ccc(N)cc2)n1
DelComponent,Remove a amine from the molecule COCc1ccccc1NC(N)=[NH+]CC1CSc2ccccc21.,COCc1ccccc1C(N)=[NH+]CC1CSc2ccccc21
LogP,Please optimize the molecule Cc1ccc(Nc2nnc(SCCC(N)=O)s2)c(C)c1 to have a lower LogP value.,Cc1ccc(-c2nnc(SCCC(N)=O)s2)c(C)c1
MR,Please modify the molecule CC(C)(C)N(O[Si](C)(C)C(C)(C)C)c1cc(Br)cc(-c2ccccc2)c1 to increase its MR value.,CC(C)(C)N(O[Si](C)(C)C(C)(C)C)c1cc(Br)cc(-c2ccccc2-c2ccccc2)c1
QED,Please optimize the molecule CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)c(Cl)c1 to have a lower QED value.,CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(O)c(Cl)c1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",Cc1cc(OCC(=O)NNC(=O)CCc2ccccc2)ccc1Br
BondNum,"Please generate a molecule with 10 single bonds, 2 double bonds, 3 rotatable bonds, and 18 aromatic bonds.",COc1ccccc1C(=O)Nc1ncc2c(n1)-c1ccccc1NC(=O)C2
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 halo groups, and 1 nitrile group.",N#CC1(Cc2ccc(F)cc2F)CCOc2ccccc21
AddComponent,Add a aldehyde to the molecule CCCCOC(=O)c1ccccc1NC(=O)NC(C(=O)OC)C(C)C.,CCCCOC(=O)c1ccccc1NC(=O)NC(C(=O)OC)C(C)CCC=O
SubComponent,Please substitute a halo in the molecule CCC1(c2nc(-c3ncccc3Cl)no2)CC[NH2+]CC1 with a hydroxyl.,CCC1(c2nc(-c3ncccc3O)no2)CC[NH2+]CC1
DelComponent,Remove a halo from the molecule O=C(NC1CCOC12CCOCC2)c1ccnc2cc(Cl)ccc12.,O=C(NC1CCOC12CCOCC2)c1ccnc2ccccc12
LogP,Modify the molecule CC(C)[NH2+]Cc1nnc(Oc2ccc(F)c(Cl)c2)s1 to increase its LogP value.,CC(=O)c1ccc(Oc2nnc(C[NH2+]C(C)C)s2)cc1Cl
MR,Please optimize the molecule C[NH+]1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)CC1 to have a lower MR value.,C[NH+]1CCC(Sc2nc3ccccc3c(=O)n2C2CCCC2)C1
QED,Please modify the molecule CC1CCCN1CCN1CC[NH+](CCN2CCCC2C)C1=C(C#N)C#N to increase its QED value.,CC1CCCN1CCN1CC[NH+](CCN2CCCC2C)C1=CC#N
AtomNum,"Please generate a molecule with 20 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 fluorine atoms.",Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc(F)cc(F)c1
BondNum,"The molecule has 12 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",C[NH+](C)CC1CCN(S(=O)(=O)c2ccccc2-c2ccno2)C1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 halo group.",Cc1ccc(C(=O)N(CC2CCC[NH2+]C2)C(C)C)c(Cl)c1
AddComponent,Add a benzene ring to the molecule CCc1ccc(CC(=O)c2ccccc2OC(F)F)cc1.,CCc1ccc(CC(=O)c2ccccc2OC(F)F)cc1-c1ccccc1
SubComponent,Substitute a halo in the molecule CCN(CC(=O)N(C)c1cccc(-c2ccc(C(F)(F)F)cc2)c1)C(=O)OC(C)(C)C with a nitro.,CCN(CC(=O)N(C)c1cccc(-c2ccc(C(F)(F)NO)cc2)c1)C(=O)OC(C)(C)C
DelComponent,Modify the molecule COc1cc(-c2nc(C3CC3)nn2CCO)ccn1 by removing a hydroxyl.,CCn1nc(C2CC2)nc1-c1ccnc(OC)c1
LogP,Modify the molecule Cc1cccc(OCCN(C)C(=O)C2CCC3(CC2)NC(=O)NC3=O)c1 to have a lower LogP value.,Cc1cccc(OCCN(CO)C(=O)C2CCC3(CC2)NC(=O)NC3=O)c1
MR,Optimize the molecule CCCC(Nc1ccc(F)cc1)C(=O)[O-] to have a lower MR value.,CCCC(NF)C(=O)[O-]
QED,Modify the molecule CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(N3CCCCC3=O)c2)c1 to have a lower QED value.,CC(C)NS(=O)(=O)c1ccc(O)c(C(=O)NCc2cccc(N3CCCCC3=O)c2)c1
AtomNum,"The molecule consists of 20 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",CCC(C(=O)NCCSCc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cc(NC(=O)NCC2(O)CCCC2)ccn1
FunctionalGroup,"The molecule has 3 benzene ring groups, 1 amide group, and 1 nitro group.",O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(OCCCc2ccccc2)c1
AddComponent,Modify the molecule [NH3+]C1C(OCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2[NH3+])(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2[NH3+])NC(=O)CCCCCCCCCCC(=O)NCCOC2(OCCNC(=O)CCN3C(=O)C=CC3=O)CCCCC2)OC(CO)C(O)C1O by adding a amine.,NC(COC1OC(CO)C(O)C(O)C1[NH3+])OCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOC1OC(CO)C(O)C(O)C1[NH3+])(COCCC(=O)NCCOCCOCCOC1OC(CO)C(O)C(O)C1[NH3+])NC(=O)CCCCCCCCCCC(=O)NCCOC1(OCCNC(=O)CCN2C(=O)C=CC2=O)CCCCC1
SubComponent,Modify the molecule O=C(Cc1ccc(Cl)cc1Cl)Nc1cc(C(=O)[O-])[nH]n1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(CC(=O)Nc2cc(C(=O)[O-])[nH]n2)c(Cl)c1
DelComponent,Please remove a benzene ring from the molecule Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4ccc(C(C)(C)C)cc4)cc32)c(C)c1C(=O)[O-].,Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)CC(C)(C)C)cc32)c(C)c1C(=O)[O-]
LogP,Modify the molecule CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCc2ccnc(OCc3ccccc3)c2)c1 to have a lower LogP value.,CCN(CC)S(=O)(=O)c1ccc(C#N)c(C(=O)NCc2ccnc(OCc3ccccc3)c2)c1
MR,Modify the molecule O=C([O-])CN(CCCCC1CCCCC1)C(=O)CCCCCOc1cccc2c1CN1CC(=O)[NH+]=C1N2 to decrease its MR value.,O=C([O-])CN(CCCCC1CCCCC1)C(=O)CCCCCOc1cccc2c1CNCN2
QED,Please modify the molecule CC(C)(C)[NH2+]CCCc1cnnn1-c1ccccc1 to decrease its QED value.,CC(C)(C)[NH2+]CCCc1cnnn1-c1ccc(N)cc1
AtomNum,"There is a molecule consisting of 17 carbon atoms, and 2 nitrogen atoms.",CC[NH2+]C(c1ccc(CC)cc1)c1ccncc1C
BondNum,"The molecule has 16 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCC(C)Oc1cccc(NC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 3 halo groups.",CC1(NC(=O)c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1
AddComponent,Modify the molecule Cc1cc(C(O)CO)ccc1-n1c(C)nc(OCc2ccc(F)cc2F)c(Br)c1=O by adding a benzene ring.,Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(C(O)CO)cc1Cc1ccccc1
SubComponent,Modify the molecule C#CCSCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1F by substituting a halo with a nitro.,C#CCSCCNC(=O)c1cc(NO)cc([N+](=O)[O-])c1F
DelComponent,Please remove a amine from the molecule CC1=CC(C)(C)Nc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc21.,CC1=CC(C)(C)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc21
LogP,Please optimize the molecule CC1COCC[NH+]1C(C)C(=O)c1ccc(Cl)cc1Cl to have a lower LogP value.,CC1COCC[NH+]1C(C)C(=O)c1ccccc1Cl
MR,Modify the molecule COc1ccc(NCC(O)CC2CCCC2)cc1 to have a lower MR value.,COc1ccc(NCCCC2CCCC2)cc1
QED,Modify the molecule Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3)o2)c1 to decrease its QED value.,Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)cc(-c4ccccc4)c3)o2)c1
AtomNum,"The molecule is composed of 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 fluorine atoms.",CCOC(=O)CC[NH2+]Cc1c(F)cc(C#N)cc1F
BondNum,"There is a molecule composed of 8 single bonds, 1 double bond, 4 rotatable bonds, and 22 aromatic bonds.",CC(=O)Nc1ccn2c(-c3cccc(N(C)C)c3)c(-c3ccccn3)nc2n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 ester group.",CC(Oc1cccc(C(C)(C)C)c1)C(=O)OC(C)(C)C
AddComponent,Add a hydroxyl to the molecule CSCCC[NH2+]CC1CCC(O)CC1.,CSCCC[NH2+]CC1CCC(O)C(O)C1
SubComponent,Modify the molecule CCc1cccc(F)c1COc1cccn2c(-c3nc(NCC([NH3+])(CF)CF)c4c(n3)NC(=O)C4(C)C)c(C)nc12 by substituting a halo with a carboxyl.,CCc1cccc(C(=O)[OH])c1COc1cccn2c(-c3nc(NCC([NH3+])(CF)CF)c4c(n3)NC(=O)C4(C)C)c(C)nc12
DelComponent,Modify the molecule Cc1ccc2c(cnn2C(=O)CCC(=O)NCc2ccccn2)c1 by removing a amide.,Cc1ccc2c(cnn2C(=O)CCc2ccccn2)c1
LogP,Please modify the molecule Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)n(-c2nc(=O)c(C)n[nH]2)n1 to decrease its LogP value.,Cc1cc(C(=O)N2CC[NH+](C)CC2)n(-c2nc(=O)c(C)n[nH]2)n1
MR,Please optimize the molecule CC(C)COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccc(C(C)C)cc2)cc1 to have a higher MR value.,CC(C)COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccc(C(C)C)cc2)c(O)c1
QED,Modify the molecule CN(Cc1ccccc1Cl)C(=O)NOCc1ccccc1 to have a lower QED value.,CN(CCl)C(=O)NOCc1ccccc1
AtomNum,"The molecule has 12 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cn1ccc(=O)n(CCn2cc(N)ccc2=O)c1=O
BondNum,"The molecule has 9 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CCC(=O)c1ccc(Sc2ccc(C(C)(C)C)cc2)cc1
FunctionalGroup,"The molecule is composed of 1 ketone group, and 3 halo groups.",Cc1cncc(Cl)c1C(=O)C(C)c1cnn(C2CCC(C(=O)[O-])CC2)c1C(C)(F)F
AddComponent,Add a hydroxyl to the molecule CC(=O)N1CCc2ccc(S(=O)(=O)NCc3[nH+]cc4ccccn34)cc2C1.,CC(=O)N1CCc2ccc(S(=O)(=O)NCc3[nH+]c(O)c4ccccn34)cc2C1
SubComponent,Modify the molecule Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cccc(-c4nncn4C)c3)n2)n1 by substituting a halo with a nitro.,Cc1cc(C)n(-c2ccc(NO)c(C(=O)Nc3cccc(-c4nncn4C)c3)n2)n1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(COCCN2CC[NH2+]CC2)cc1.,COCOCCN1CC[NH2+]CC1
LogP,Please optimize the molecule Cc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(F)c(F)c2)c(C)c1 to have a lower LogP value.,Cc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(F)cc2)c(C)c1
MR,Please optimize the molecule COc1ccc(C)cc1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 to have a higher MR value.,COc1ccc(C)c(-c2ccccc2)c1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1
QED,Please modify the molecule O=C(c1coc2ccccc12)N1CCCC(CBr)C1 to increase its QED value.,N#CCC1CCCN(C(=O)c2coc3ccccc23)C1
AtomNum,"The molecule contains 18 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",COCCNc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1[N+](=O)[O-]
BondNum,"There is a molecule composed of 19 single bonds, 4 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",CCC(C(=O)c1ccc(Br)cc1)C1C(C(=O)NN=C2c3ccccc3-c3ccccc32)C(=O)OC1(C)C
FunctionalGroup,The molecule contains and 1 hydroxyl group.,CC(C)c1cc(C(=O)[O-])cc(N(C)C2CCCCC2O)n1
AddComponent,Add a benzene ring to the molecule Cc1ccc(C(=O)NC2CCCCC2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)C(C)C)CC1.,Cc1ccc(C(=O)NC2CCCCC2)cc1NC(=O)C(C)(c1ccccc1)[NH+]1CCC(C(=O)NC(C(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)C(C)C)CC1
SubComponent,Please substitute a Cc1nn(CC(C)C)c(C)c1CCC(=O)N(C1CC1)C(C)c1cccc(C(F)(F)F)c1 in the molecule halo with a nitro.,Cc1nn(CC(C)C)c(C)c1CCC(=O)N(C1CC1)C(C)c1cccc(C(F)(F)NO)c1
DelComponent,Please remove a COc1ccc(OC)c(NC(=O)Cc2cccc(Br)c2)c1 from the molecule halo.,COc1ccc(OC)c(NC(=O)Cc2ccccc2)c1
LogP,Modify the molecule Cc1cc(C(=O)CSc2nnc(C3COc4ccccc4O3)o2)c(C)n1-c1ccccc1F to have a lower LogP value.,Cc1cc(C(=O)CSc2nnc(C3COc4ccccc4O3)o2)c(C)n1-c1ccccc1
MR,Please modify the molecule COc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)c(OC4(C)CC[NH2+]C4)c3)s2)c1 to increase its MR value.,COc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)S)c(OC4(C)CC[NH2+]C4)c3)s2)c1
QED,Optimize the molecule CNc1cc(NCCCNS(C)(=O)=O)nc(C(C)(C)C)n1 to have a higher QED value.,Cc1cc(NCCCNS(C)(=O)=O)nc(C(C)(C)C)n1
AtomNum,"Please generate a molecule with 11 carbon atoms, and 1 chlorine atom.",Cc1ccc(C(C)(C)C)c(Cl)c1
BondNum,"There is a molecule with 17 single bonds, 4 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",[NH3+]Cc1cccc(CNC(=O)C2N(C(=O)Nc3cccc(Cl)c3)CCN2S(=O)(=O)c2cccs2)c1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 3 halo groups.",O=C([O-])c1cccc2c1ccn2Cc1cc(F)ccc1OCc1cc(F)ccc1F
AddComponent,Add a carboxyl to the molecule C[NH2+]CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.,C[NH2+]CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1C(=O)O
SubComponent,Substitute a halo in the molecule COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O with a thiol.,COCCOc1ccc(C(F)(F)S)cc1NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O
DelComponent,Modify the molecule halo by removing a [NH3+]Cc1ccccc1NC(=O)c1ccc(F)cc1I.,[NH3+]Cc1ccccc1NC(=O)c1ccc(F)cc1
LogP,Please optimize the molecule CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)NCc2ccco2)cc1 to have a lower LogP value.,CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)NCc2ccco2)cc1
MR,Please optimize the molecule C[NH+](C)CCCN1CCN(S(=O)(=O)c2ccc(-c3c[nH]c4cc(F)ccc34)cc2)CC1=O to have a higher MR value.,C[NH+](C)CCCN1CCN(S(=O)(=O)c2ccc(-c3c[nH]c4cc(C(=O)[OH])ccc34)cc2)CC1=O
QED,Please modify the molecule COC(=O)C1([NH2+]CCN=[N+]=[N-])CCCCC1OC to decrease its QED value.,COC(=O)C1([NH2+]CCN=[N+]=[N-])CCCCC1OCO
AtomNum,"There is a molecule composed of 23 carbon atoms, and 8 nitrogen atoms.",CCCn1nc(CCC(C)C)nc1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cn1
BondNum,"Please generate a molecule consisting 14 single bonds, 2 double bonds, and 3 rotatable bonds.",CC(C(=O)NN1CC[NH+](C)CC1)C(N)=[NH+]O
FunctionalGroup,"The molecule has 1 amide group, 1 amine group, and 1 sulfone group.",CCCC(C)NC(=O)CS(=O)(=O)CC(N)CC
AddComponent,Modify the molecule CC[NH2+]C(C)c1cc(F)ccc1-n1ccc(C)n1 by adding a benzene ring.,CC[NH2+]C(C)c1cc(F)ccc1-n1ccc(Cc2ccccc2)n1
SubComponent,Please substitute a halo in the molecule COc1ccc(-c2cc(=O)c3c([O-])c(I)c([O-])c(I)c3o2)cc1 with a aldehyde.,CC(=O)c1c([O-])c(I)c2oc(-c3ccc(OC)cc3)cc(=O)c2c1[O-]
DelComponent,Please remove a CC(=O)N1CCN(c2cc(C(=O)NCCc3ccccc3)ncn2)CC1 from the molecule amide.,CC(=O)N1CCN(c2c-n(CCc3ccccc3)cn2)CC1
LogP,Please optimize the molecule CCc1nc2cc(CNC(=O)Cc3ccc(Cl)cc3)ccc2n1C to have a higher LogP value.,CCc1nc2cc(Cc3ccc(Cl)cc3)ccc2n1C
MR,Optimize the molecule CNC(=O)c1ccccc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2C)CC1 to have a higher MR value.,CNC(=O)c1ccccc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)Nc3ccc(O)cc3)cc2C)CC1
QED,Please modify the molecule CC1CC[NH+](CCCNc2ncnc3c(F)cccc23)CC1 to decrease its QED value.,CC(=O)c1cccc2c(NCCC[NH+]3CCC(C)CC3)ncnc12
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",NC(=O)C1CC1c1ccc(OCc2ccccc2)cc1
BondNum,"The molecule consists of 11 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",CC(CO)(CO)[NH2+]CCCCc1ccccc1
FunctionalGroup,Please generate a molecule with and 1 amine group.,CCC1CC1Nc1cc(C(=O)[O-])c2ccccc2n1
AddComponent,Please add a benzene ring to the molecule CC(C)CCOCC[NH2+]CCNC(N)=O.,CC(C)CCOCC[NH2+]CC(NC(N)=O)c1ccccc1
SubComponent,Please substitute a halo in the molecule COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1 with a aldehyde.,CC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cc(C(=O)N4CCCC4)ccc3OC)CC2)cc1C(=O)NC1CCCCC1
DelComponent,Modify the molecule hydroxyl by removing a O=C(NC1(CO)CCSCC1)c1csc(N2CCCCC2)n1.,CC1(NC(=O)c2csc(N3CCCCC3)n2)CCSCC1
LogP,Please modify the molecule O=C1C2C3CCC[NH+]3C3(C(=O)Nc4c(Cl)cccc43)C2C(=O)N1c1cccc([N+](=O)[O-])c1 to increase its LogP value.,O=C1C2C3CCC[NH+]3C3(C(=O)Nc4c(Cl)cccc43)C2C(=O)N1c1cccc([N+](=O)[O-])c1-c1ccccc1
MR,Optimize the molecule COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(CCC(=O)[O-])NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O to have a lower MR value.,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(CCC(=O)[O-])NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC=O
QED,Please modify the molecule CCCCCC(C)(O)c1ccc(Cl)c(OC)c1 to decrease its QED value.,CCCCCC(C)c1ccc(Cl)c(OC)c1
AtomNum,"Please generate a molecule composed of 8 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC1(C(N)=[NH2+])CCN(C(N)=O)CC1
BondNum,"There is a molecule consisting of 16 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCCc1ccc(C(=O)C2CCC3CCCCC3[NH2+]2)cc1
FunctionalGroup,The molecule contains and 1 amine group.,CCC(C)C(C)C(CC)[NH2+]CN
AddComponent,Modify the molecule CCOC(=O)CCCNc1cccc(NN)n1 by adding a amine.,CCOC(=O)CCCNc1nc(NN)ccc1N
SubComponent,Substitute a N#Cc1ccc2[nH]c(=S)n(CC3CCCO3)c2c1 in the molecule nitrile with a hydroxyl.,Oc1ccc2[nH]c(=S)n(CC3CCCO3)c2c1
DelComponent,Remove a halo from the molecule CC1CCCC1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1F.,CC1CCCC1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1
LogP,Modify the molecule Cc1noc(-c2cccc(C)c2[N+](=O)[O-])n1 to decrease its LogP value.,Cc1cccc-1(O[O-])-c1nc(C)no1
MR,Please modify the molecule C=CCN1C(=O)COc2ccc(NC(=O)c3ccc(OC)cc3)cc21 to decrease its MR value.,C=CCN1C(=O)COc2ccc(NC(=O)OC)cc21
QED,Please modify the molecule CCc1ccccc1NC(=O)CN(C)C(=O)c1ccccc1-c1ccccc1 to increase its QED value.,CCc1ccccc1NC(=O)CN(C)C(=O)c1ccccc1
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CC(N(C)S(=O)(=O)c1cccc(F)c1C[NH3+])C(C)(C)C
BondNum,"There is a molecule with 11 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",CCOC(=O)C(N)C(c1c[nH]c2ccccc12)C(F)(F)F
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 nitrile group.",COc1ccnc(C[NH2+]Cc2cccc(C#N)c2)c1OC
AddComponent,Add a hydroxyl to the molecule Cc1cc(C)cc(-n2c(C[NH+]3CCN(C(=O)NC4CCCCC4)CC3)nc3cccnc32)c1.,Cc1cc(C)cc(-n2c(C(O)[NH+]3CCN(C(=O)NC4CCCCC4)CC3)nc3cccnc32)c1
SubComponent,Substitute a Cn1cc(COc2c(F)cc(C(=O)[O-])cc2F)nn1 in the molecule halo with a thiol.,Cn1cc(COc2c(F)cc(C(=O)[O-])cc2S)nn1
DelComponent,Modify the molecule hydroxyl by removing a OC1CCCCCC1CC1COc2ccccc21.,c1ccc2c(c1)OCC2CC1CCCCCC1
LogP,Optimize the molecule C=C(C)CNC(NCCCn1nc(C)cc1C)=[NH+]CC(=O)N(C)C to have a lower LogP value.,C=C(C)CNC(NC(O)CCn1nc(C)cc1C)=[NH+]CC(=O)N(C)C
MR,Modify the molecule O=C1CCC(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)CN1CC[NH+]1CCOCC1 to increase its MR value.,O=CCc1cc(CC2CCN(C(=O)C3CCC(=O)N(CC[NH+]4CCOCC4)C3)CC2)ccc1F
QED,Modify the molecule CCC[NH2+]C(CCO)c1nc2ccccc2n1C to have a higher QED value.,CCC[NH2+]C(CCC(=O)[OH])c1nc2ccccc2n1C
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCC(NC(=O)c1c(C)nn(C)c1-n1cccn1)C1CCCO1
BondNum,"There is a molecule consisting of 11 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CCNC(NCc1ccco1)=[NH+]Cc1cccc(N(C)C)n1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 sulfide group.",CCc1ccc(C(CNC(=O)Nc2nncs2)[NH+](C)C)cc1
AddComponent,Please add a amine to the molecule O=C(NCCCN1CCCC1=O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br.,NC1CCN(CCCNC(=O)c2nc3nc(Nc4ccc(F)cc4)ncc3cc2-c2ccccc2Br)C1=O
SubComponent,Substitute a hydroxyl in the molecule CC(OC(=O)c1ccc(CO)cc1)C(N)=O with a halo.,CC(OC(=O)c1ccc(CCl)cc1)C(N)=O
DelComponent,Please remove a COC12CCC(c3ccc(C[NH2+]C(CCCC[NH3+])OBO)cc3)(CC1)CC2 from the molecule hydroxyl.,BOC(CCCC[NH3+])[NH2+]Cc1ccc(C23CCC(OC)(CC2)CC3)cc1
LogP,Please optimize the molecule CS(=O)(=O)N1CCC(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC1 to have a lower LogP value.,CS(=O)(=O)N1CCC(C(=O)Nc2ncn(Cc3ccc(O)cc3)n2)CC1
MR,Modify the molecule CCOP(=O)(CCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(CC)[NH2+]C(C)(CC)C1C)C(=O)OC1CC(C)(CC)[NH2+]C(C)(CC)C1C)OCC to decrease its MR value.,CCOP(=O)(CCC(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)(C(=O)OC1CC(C)(CC)[NH2+]C(C)(CC)C1C)C(=O)OC1CC(C)(CC)[NH2+]C(C)(CC)C1C)OCC
QED,Please optimize the molecule CCCC[n+]1c(-c2ccc(Cl)cc2)oc(NC(=O)C(F)(F)F)c1C(O)c1ccc(Cl)cc1 to have a lower QED value.,CCCC[n+]1c(-c2ccc(NO)cc2)oc(NC(=O)C(F)(F)F)c1C(O)c1ccc(Cl)cc1
AtomNum,"The molecule contains 13 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",[NH3+]CCc1ccc(F)c(S(=O)(=O)NCc2ccco2)c1
BondNum,"The molecule has 11 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",CC1CC[NH+](CCCc2nc3ccccc3s2)CC1
FunctionalGroup,"The molecule is composed of 2 amine groups, 2 thioether groups, and 1 sulfide group.",CSCCCCCNc1nc(N)nc(OC(C)C)n1
AddComponent,Add a amine to the molecule CC([NH3+])C(C)C(=O)Nc1ccc(Cn2cncn2)cc1.,CC([NH3+])C(C)C(=O)Nc1ccc(Cn2cncn2)c(N)c1
SubComponent,Please substitute a halo in the molecule O=C([O-])C=C(Nc1cncc(C(F)(F)F)c1)C(F)(F)F with a hydroxyl.,O=C([O-])C=C(Nc1cncc(C(O)(F)F)c1)C(F)(F)F
DelComponent,Remove a amide from the molecule CC(C)CC([NH2+]C1CC[NH+]2CCCC2C1)C(=O)N(C)C.,CC(C)CCC[NH2+]C1CC[NH+]2CCCC2C1
LogP,Optimize the molecule CC(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccccc1OC(C)C to have a higher LogP value.,CC(C)Oc1ccccc1CC(=O)NCc1ccc(F)cc1
MR,Please optimize the molecule O=C(C=Cc1ccc(-c2ccccc2)cc1)OCC1CC1 to have a higher MR value.,O=C(C=Cc1ccc(-c2ccccc2)cc1-c1ccccc1)OCC1CC1
QED,Please modify the molecule CC(C)N(CCBr)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] to increase its QED value.,CC(C)N(CCNO)C(=O)c1cc(Cl)ccc1[N+](=O)[O-]
AtomNum,"There is a molecule with 14 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCC[NH2+]Cc1c(C)nc(C(C)OCC)nc1C
BondNum,"The molecule consists of 18 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCC1(CO)CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, and 2 halo groups.",Nc1ncccc1CCc1ccc(Br)cc1Cl
AddComponent,Please add a benzene ring to the molecule ClC(Cl)Oc1ccccn1.,ClC(Cl)Oc1cccc(-c2ccccc2)n1
SubComponent,Modify the molecule O=C(CN1C(=O)CCC1=O)OCC(=O)c1ccc(Br)cc1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(C(=O)COC(=O)CN2C(=O)CCC2=O)cc1
DelComponent,Modify the molecule CCNC(=O)CNC(=O)NC(=O)CCl by removing a halo.,CCNC(=O)CNC(=O)NC(C)=O
LogP,Modify the molecule N#Cc1c(C(F)(F)F)cnc(OC(F)(F)F)c1CC(=O)[O-] to decrease its LogP value.,O=C([O-])Cc1c(OC(F)(F)F)ncc(C(F)(F)F)c1O
MR,Optimize the molecule Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 to have a higher MR value.,Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccc(O)cc1
QED,Modify the molecule Cc1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1F to decrease its QED value.,Cc1ccc(S)c(C(=O)NC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1F
AtomNum,"Please generate a molecule composed of 23 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 2 fluorine atoms, and 1 bromine atom.",O=c1c2sc3ccccc3c2n(Cc2cccc(F)c2)c(=O)n1-c1ccc(Br)cc1F
BondNum,"The molecule has 15 single bonds, 1 double bond, 8 rotatable bonds, and 24 aromatic bonds.",O=C(c1ccccc1)N1CCN(c2cc(OCc3ccccc3)ccc2OCc2ccccc2)CC1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",COc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(Cl)ccc4OC)cc3)nc2c1
AddComponent,Add a nitrile to the molecule CCCCC1C(=O)N2CCCC2C(=O)NC(C[NH3+])C(=O)NC(C(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(Cc2ccc(C[NH3+])cc2)C(=O)N2CCCCC2C(=O)NCC(Cc2c[nH]c3ccccc23)C(=O)NC(CCc2ccc(O)cc2)C(=O)NC(CCCC[NH3+])C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)NC(Cc2cc(F)c(F)c(F)c2)C(=O)N(C)C(Cc2ccccc2)C(=O)N1C.,CCCCC1C(=O)N2CCCC2C(=O)NC(C[NH3+])C(=O)NC(C(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(Cc2ccc(C[NH3+])cc2)C(=O)N2CCCCC2C(=O)NCC(Cc2c[nH]c3ccccc23)C(=O)NC(CCc2ccc(O)cc2)C(=O)NC(C#N)(CCCC[NH3+])C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)NC(Cc2cc(F)c(F)c(F)c2)C(=O)N(C)C(Cc2ccccc2)C(=O)N1C
SubComponent,Substitute a nitrile in the molecule N#Cc1ccc(Oc2ccc(C[NH3+])cc2Br)c([N+](=O)[O-])c1 with a hydroxyl.,[NH3+]Cc1ccc(Oc2ccc(O)cc2[N+](=O)[O-])c(Br)c1
DelComponent,Modify the molecule CN(c1cccnc1)c1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 by removing a amine.,CN(c1cccnc1)c1cc(Br)c2ncc(C#N)c(-c3ccc(F)c(Cl)c3)c2c1
LogP,Please optimize the molecule CCc1ccccc1NC(=O)C(=Cc1cccs1)NC(=O)c1ccc(C)cc1 to have a lower LogP value.,CCNC(=O)C(=Cc1cccs1)NC(=O)c1ccc(C)cc1
MR,Please optimize the molecule O=C1CC2(CCCCC2)NC(=O)N1c1ccc(F)cc1F to have a higher MR value.,O=C1CC2(CCCCC2)NC(=O)N1c1ccc(S)cc1F
QED,Modify the molecule COc1ccccc1C(=O)OCC(=O)Nc1sccc1C#N to have a lower QED value.,COc1ccccc1C(=O)OC(O)C(=O)Nc1sccc1C#N
AtomNum,"The molecule is composed of 31 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",CCCCCCCC=CCCCCCCC[N+](CCC(C)C(=O)[O-])(CCC(C)C(=O)[O-])CCC(C)C(=O)[O-]
BondNum,"The molecule contains 21 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)c1ccccc1C(CC12CC3CC(CC(C3)C1)C2)C(C)C
FunctionalGroup,"Please generate a molecule consisting 3 halo groups, and 1 sulfide group.",FC(F)(F)c1ncc(C2CCCCC[NH2+]2)s1
AddComponent,Please add a aldehyde to the molecule O=C(NCc1cccc(CO)c1)c1c(F)cc(Br)cc1F.,O=CCc1cc(CO)cc(CNC(=O)c2c(F)cc(Br)cc2F)c1
SubComponent,Modify the molecule N#CC1(c2ccccc2OC(F)(F)F)CC1 by substituting a halo with a carboxyl.,N#CC1(c2ccccc2OC(F)(F)C(=O)[OH])CC1
DelComponent,Modify the molecule C#Cc1ccc(Cc2c(OC3C(O)OC(CO)C(O)C3O)n[nH]c2C(F)(F)F)cc1 by removing a benzene ring.,C#CCc1c(OC2C(O)OC(CO)C(O)C2O)n[nH]c1C(F)(F)F
LogP,Modify the molecule CS(=O)(=O)NCCCNc1ccc(Br)cc1N to increase its LogP value.,CS(=O)(=O)NCCCc1ccc(Br)cc1N
MR,Optimize the molecule CC(=O)N1CCc2cc(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)ccc21 to have a higher MR value.,CC(=O)N1CCc2cc(C(=O)Nc3ccc4c(c3)CC[NH2+]C4)ccc21
QED,Optimize the molecule COc1cc(C)ccc1Oc1nc(Oc2ccc(C)cc2OC)nc(Oc2ccc(C)cc2OC)n1 to have a lower QED value.,COc1cc(C)ccc1Oc1nc(Oc2ccc(C)cc2OC)nc(Oc2cc(CC=O)c(C)cc2OC)n1
AtomNum,"The molecule is composed of 15 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCC(Nc1ncccc1C(N)=S)C1CCCCC1
BondNum,"Please generate a molecule consisting 10 single bonds, 2 double bonds, and 2 rotatable bonds.",CC(C)(CO)C1OC(=O)[N-]C1=O
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 1 hydroxyl group, and 1 amide group.",O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)N(Cc1ccccc1)Cc1ccccc1
AddComponent,Modify the molecule CC1CC1c1ccc(CCC(=O)N2CCN(c3nccs3)CC2)o1 by adding a hydroxyl.,CC1(O)CC1c1ccc(CCC(=O)N2CCN(c3nccs3)CC2)o1
SubComponent,Substitute a halo in the molecule CC(C)(C)OC(=O)NCC1CCCC[NH+]1CC(=O)Nc1ccc(Cl)cc1 with a nitrile.,CC(C)(C)OC(=O)NCC1CCCC[NH+]1CC(=O)Nc1ccc(C#N)cc1
DelComponent,Remove a benzene ring from the molecule CCC([NH3+])C(c1cccc(OC)c1)N1CCC(C)(C)CC1.,CCC([NH3+])C(OC)N1CCC(C)(C)CC1
LogP,Please modify the molecule Cc1cc(CC(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+](C)C)CC2)cc2cn[nH]c12 to increase its LogP value.,Cc1cc(CC(CC(=O)N2CCC(N3CCc4c(cccc4-c4ccccc4)NC3=O)CC2)C(=O)N2CCC([NH+](C)C)CC2)cc2cn[nH]c12
MR,Please modify the molecule Cc1ccccc1NC(=O)Cc1ccc2c(c1)nc(C)n2C to decrease its MR value.,CNC(=O)Cc1ccc2c(c1)nc(C)n2C
QED,Please modify the molecule O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl to decrease its QED value.,O=C(Nc1ccc(OCc2ccccc2O)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
AtomNum,"There is a molecule with 13 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCOc1cc(NS(C)(=O)=O)ccc1CC1=[NH+]CCN1
BondNum,"There is a molecule composed of 5 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",S=c1cc(C2CC2)[nH]c(-c2cccnc2)n1
FunctionalGroup,"The molecule consists of 1 amide group, and 1 sulfide group.",O=C(C1CCCO1)N1CCCC1c1nc2ccccc2s1
AddComponent,Add a benzene ring to the molecule COCC[NH+]1CCC(Nc2ccc3c(c2)C(=C(c2ccccc2)c2ncc[nH]2)C(=O)N3)CC1.,COCC[NH+]1CCC(Nc2ccc3c(c2)C(=C(c2ncc[nH]2)c2ccccc2-c2ccccc2)C(=O)N3)CC1
SubComponent,Substitute a hydroxyl in the molecule CCOc1cc(C2C(c3cccc(OC)c3OCC)=C(O)C(=O)N2c2ccc(OC)c(OC)c2)ccc1O with a nitrile.,CCOc1cc(C2C(c3cccc(OC)c3OCC)=C(C#N)C(=O)N2c2ccc(OC)c(OC)c2)ccc1O
DelComponent,Remove a benzene ring from the molecule COCCNC(=O)C(C)N1C(=O)COc2ccc(C(=O)COc3ccc(C)cc3)cc21.,COCCNC(=O)C(C)N1C(=O)COc2ccc(C(=O)COC)cc21
LogP,Optimize the molecule CCc1oc(-c2ccccc2)c(Br)c1Br to have a lower LogP value.,CCc1oc(-c2ccccc2)c(C#N)c1Br
MR,Please modify the molecule CCc1ccc(S(=O)(=O)NC(C)c2cnn(CC)c2C)cc1 to decrease its MR value.,CCn1ncc(C(C)NS(=O)(=O)CC)c1C
QED,Modify the molecule O=C(COC(=O)c1cccc2ocnc12)Nc1ccc2c(c1)OCO2 to have a lower QED value.,O=C(Oc1ccc2c(c1)OCO2)c1cccc2ocnc12
AtomNum,"There is a molecule consisting of 11 carbon atoms, and 5 nitrogen atoms.",CCC([NH+]=C(N)[NH+]=C(N)N)c1ccccc1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",O=C([O-])c1ccc(O)c2ncc(NC3CC[NH2+]CC3)cc12
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amide groups, 1 halo group, and 1 sulfide group.",CC(C)NC(=O)C[NH+](C)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1
AddComponent,Add a hydroxyl to the molecule C[S+](CCCc1ccccc1)CC(O)(P(=O)(O)O)P(=O)(O)O.,C[S+](CC(O)(P(=O)(O)O)P(=O)(O)O)C(O)CCc1ccccc1
SubComponent,Please substitute a O=C(Nc1ccc(C2C[NH2+]CCO2)cc1)c1cnn(-c2cncc(Cl)n2)c1 in the molecule halo with a aldehyde.,CC(=O)c1cncc(-n2cc(C(=O)Nc3ccc(C4C[NH2+]CCO4)cc3)cn2)n1
DelComponent,Remove a halo from the molecule Cc1c(-c2cc(F)c(N)cc2F)ccc2c3oc(CN4CCC(NC(=O)[O-])C4=O)nc3c(=O)n(C3CC3)c12.,Cc1c(-c2ccc(N)cc2F)ccc2c3oc(CN4CCC(NC(=O)[O-])C4=O)nc3c(=O)n(C3CC3)c12
LogP,Optimize the molecule CCc1nc(CN(C)CC[NH2+]C)no1 to have a lower LogP value.,CCc1nc(C(O)N(C)CC[NH2+]C)no1
MR,Modify the molecule CCCN(c1nc(-c2ccc(OC)cc2Cl)c(C)s1)c1c(OCC)ccc2ccccc12 to have a higher MR value.,CCCN(c1nc(-c2ccc(OC)cc2C(=O)[OH])c(C)s1)c1c(OCC)ccc2ccccc12
QED,Please optimize the molecule CC1CCCC(O)(C[NH2+]Cc2ccc(F)cc2F)C1 to have a lower QED value.,CC1CC(O)(C[NH2+]Cc2ccc(F)cc2F)CCC1CC=O
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",OC1CCCCCC1[NH2+]CC1C[NH+]2CCCC2CO1
BondNum,"Please generate a molecule composed of 16 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",[NH3+]CC(c1ccc(Cl)c(Br)c1)N1CCC2CCCCC21
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 hydroxyl group.",[NH3+]CC(c1ccccc1)c1nc2ccc(O)cc2[nH]1
AddComponent,Add a hydroxyl to the molecule CCCn1ncc(C(=O)OCC)c1NC(=O)CSc1ccccc1Cl.,CCOC(=O)c1cnn(CCCO)c1NC(=O)CSc1ccccc1Cl
SubComponent,Substitute a CNC(=O)Cc1noc(-c2cnc(OCC3CC3)c(Cl)c2)n1 in the molecule halo with a carboxyl.,CNC(=O)Cc1noc(-c2cnc(OCC3CC3)c(C(=O)[OH])c2)n1
DelComponent,Please remove a benzene ring from the molecule COc1ccccc1-n1c(SCCn2c(C)csc2=O)nnc1N1CCCCC1.,COn1c(SCCn2c(C)csc2=O)nnc1N1CCCCC1
LogP,Optimize the molecule COCC[NH2+]Cc1c(C)nn(C(C)C#N)c1C to have a lower LogP value.,COCC[NH2+]Cc1c(C)nn(C(C)O)c1C
MR,Modify the molecule CS(=O)(=O)N(CC(=O)NCCCSCc1ccccc1F)c1cccc(C(F)(F)F)c1 to have a lower MR value.,CS(=O)(=O)N(CC(=O)NCCCSCF)c1cccc(C(F)(F)F)c1
QED,Optimize the molecule O=C(NCCc1ccc(F)cc1)c1ccnc(N2CCc3ccccc32)n1 to have a higher QED value.,O=C(NCCF)c1ccnc(N2CCc3ccccc32)n1
AtomNum,"Please generate a molecule with 10 carbon atoms, 3 oxygen atoms, 1 fluorine atom, and 1 boron atom.",CC1(C)OB(O)c2ccc(C=O)c(F)c21
BondNum,"Please generate a molecule with 10 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",COc1cc(OC)cc(OCC(C)CO)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfone group.",COc1ccc(Br)c(C(=O)N2CCN(CCS(C)(=O)=O)CC2)c1
AddComponent,Please add a carboxyl to the molecule O=C(c1ccccc1)N1CC(C[NH2+]C(c2ccc(C(F)(F)F)cc2)c2cccnc2)C1.,O=C(O)C1C(C[NH2+]C(c2ccc(C(F)(F)F)cc2)c2cccnc2)CN1C(=O)c1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(COC(=O)C12CC3CC(CC(Br)(C3)C1)C2)Nc1cccc(C(=O)NC2CC2)c1 with a aldehyde.,CC(=O)C12CC3CC(CC(C(=O)OCC(=O)Nc4cccc(C(=O)NC5CC5)c4)(C3)C1)C2
DelComponent,Remove a halo from the molecule Cc1cc(C(=O)NCCF)ncn1.,CCNC(=O)c1cc(C)ncn1
LogP,Modify the molecule O=C(NC=CC1CC1)NCCc1ccccc1Br to decrease its LogP value.,O=C(NC=CC1CC1)NCC(O)c1ccccc1Br
MR,Please modify the molecule O=C(C=Cc1ccccc1Cl)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 to increase its MR value.,O=C(C=Cc1cccc(-c2ccccc2)c1Cl)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1
QED,Please optimize the molecule CC(CC(=O)Nc1nnc(C(F)F)s1)C1CCC[NH2+]C1 to have a lower QED value.,CC(CC(=O)Nc1nnc(C(F)S)s1)C1CCC[NH2+]C1
AtomNum,"There is a molecule composed of 20 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",CCOc1ccc(C(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-]
BondNum,"The molecule has 6 single bonds, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",C#CC([NH2+]C)c1cc(Cl)ccc1Cl
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 3 amide groups, 1 amine group, and 3 nitro groups.",Cc1cc(C)c2occ(C3C4C(=O)N(Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])C(=O)C4ON3Cc3ccc(C(N)=O)cc3[N+](=O)[O-])c(=O)c2c1
AddComponent,Please add a benzene ring to the molecule CN(CC(=O)NC(C)(C)C)C(=O)Cn1cccc(C(F)(F)F)c1=O.,CN(CC(=O)NC(C)(C)C)C(=O)Cn1ccc(-c2ccccc2)c(C(F)(F)F)c1=O
SubComponent,Please substitute a halo in the molecule CC(=O)c1cc(Br)cc2c(C3CCS(=O)(=O)C3)c[nH]c12 with a hydroxyl.,CC(=O)c1cc(O)cc2c(C3CCS(=O)(=O)C3)c[nH]c12
DelComponent,Remove a halo from the molecule NS(=O)(=O)Cc1ccc(C(=O)NCCC(=O)OC(Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1OCC1CC1.,NS(=O)(=O)Cc1ccc(C(=O)NCCC(=O)OC(Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OCF)c(OCC3CC3)c2)cc1OCC1CC1
LogP,Modify the molecule C#CCN(CC1CC1)c1ncncc1C[NH2+]C to have a lower LogP value.,C#CCN(CC1CC1)c1ncncc1C[NH2+]CN
MR,Please optimize the molecule COCC[NH+]1CCC(Cn2cnc(C3CC3)cc2=O)CC1 to have a higher MR value.,COCC[NH+]1CCC(Cn2cnc(C3CC3)cc2=O)C(O)C1
QED,Modify the molecule CN(CCCNS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1 to have a higher QED value.,CN(CCCS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1
AtomNum,"There is a molecule composed of 13 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",C[NH2+]CC(NC(=O)c1nc2c(s1)C[NH+](C)CC2)C(=O)OC
BondNum,"The molecule has 54 single bonds, 7 double bonds, 6 rotatable bonds, and 30 aromatic bonds.",NC(=O)CC1NC(=O)CC(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2)C(O)C2NC(=O)C(NC(=O)C3NC1=O)c1ccc(O)c(c1)-c1c(cc(O)c(C[NH2+]C3C4CC5CC(C4)CC3C5)c1O)C(C(=O)[O-])NC2=O
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amine group.",Cc1cc(C(C)(C)C)cc(C)c1-c1c(N)cnn1C
AddComponent,Please add a benzene ring to the molecule CCCOc1c(Cl)cc(C(=O)N2CCCC2C[NH2+]C)cc1OCC.,CCCOc1c(Cl)cc(C(=O)N2CCCC2C[NH2+]C)cc1OCCc1ccccc1
SubComponent,Substitute a COCCOc1ccccc1C(=O)C1C(Br)=C(C2CC2)ON1Br in the molecule halo with a aldehyde.,CC(=O)C1=C(C2CC2)ON(Br)C1C(=O)c1ccccc1OCCOC
DelComponent,Remove a CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(-n4ccnc4)c(F)c3)CC2)cc1 from the molecule benzene ring.,CC(=O)S(=O)(=O)N1CCC(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1
LogP,Please modify the molecule CCCCc1c(C)c(C#N)c2[nH]c3ccccc3[n+]2c1NCCCN(C)C to increase its LogP value.,CCCCc1c(C)c(S)c2[nH]c3ccccc3[n+]2c1NCCCN(C)C
MR,Modify the molecule CCCCC(=O)Nc1ccc(-n2nc(OC(C)C)nc2-c2ccc(C)cc2)cc1 to have a lower MR value.,CCCCC(=O)Nc1ccc(-n2nc(OC(C)C)nc2C)cc1
QED,Please optimize the molecule COc1cccc(F)c1C(C)(O)Cc1c(F)cccc1Cl to have a lower QED value.,CC(=O)c1cccc(OC)c1C(C)(O)Cc1c(F)cccc1Cl
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",CC(c1ccco1)N(C)C(=O)C1CC1c1ccccc1Cl
BondNum,"There is a molecule with 39 single bonds, 5 double bonds, and 20 rotatable bonds.",CCOC(=O)C(CC)NC(=O)OC(C)(C)CCOC(C)(C)C(=O)NC(C(=O)OCC)C(C)(C)CC(C)(C)NC(=O)OCCC[NH3+]
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, and 1 sulfide group.",OC(c1ccncn1)c1ccsn1
AddComponent,Modify the molecule CC=C1CCC2C3CC=C4CC(OC)(OCC)CCC4(C)C3CCC12C by adding a hydroxyl.,CC=C1CCC2C3CC=C4CC(OCC)(OCO)CCC4(C)C3CCC12C
SubComponent,Modify the molecule O=C(c1cnc2cnccc2c1)N1CCCC(O)(C(=O)N2CCCC2)C1 by substituting a hydroxyl with a halo.,O=C(c1cnc2cnccc2c1)N1CCCC(F)(C(=O)N2CCCC2)C1
DelComponent,Please remove a benzene ring from the molecule C=CCON=C(C)c1cc(-c2ccc(F)cc2)n(-c2ccc(C)cc2)c1C.,C=CCON=C(C)c1cc(F)n(-c2ccc(C)cc2)c1C
LogP,Optimize the molecule CC(C)n1cnc(S(=O)(=O)N2CCC(OC3CCC3)CC2)c1 to have a higher LogP value.,CC(C)n1cnc(S(=O)(=O)N2CCC(OC3CCC3)C(c3ccccc3)C2)c1
MR,Optimize the molecule Cc1cn[nH]c1NC(=O)c1cn[nH]c1C to have a higher MR value.,Cc1[nH]ncc1C(=O)Nc1[nH]ncc1CN
QED,Modify the molecule O=C([O-])CCCCCCCC(=O)CCCCCCI to decrease its QED value.,O=C([O-])CCC(CCCCC(=O)CCCCCCI)c1ccccc1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CCOC(=O)N1CC[NH+](C(C)C(=O)Nc2ccc(OC)cc2)CC1
BondNum,"Please generate a molecule with 12 single bonds, 7 rotatable bonds, and 5 aromatic bonds.",CCCn1cc[nH+]c1CCCC(Cl)C1CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 3 halo groups.",FC(F)(F)c1cccc(Oc2cccnn2)c1
AddComponent,Modify the molecule CC(C)C1CCC(C)(OCCCCO)CC1 by adding a amine.,CC(C)C1CCC(C)(OC(N)CCCO)CC1
SubComponent,Substitute a halo in the molecule O=C(c1ccccc1Cl)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)cc1 with a nitrile.,N#Cc1ccccc1C(=O)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)cc1
DelComponent,Please remove a benzene ring from the molecule COCC(C)NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-].,COCC(C)NS(=O)(=O)N(N)[N+](=O)[O-]
LogP,Modify the molecule Cc1cn[nH]c1NC(=O)c1cccc(OC(F)F)c1 to have a lower LogP value.,Cc1c(C#N)n[nH]c1NC(=O)c1cccc(OC(F)F)c1
MR,Modify the molecule COCCCNC(=O)CNC(=O)c1cc(CCl)c(C)o1 to decrease its MR value.,COCCCNC(=O)CNC(=O)c1cc(CC#N)c(C)o1
QED,Please optimize the molecule CCC1CCCCN1C(=O)C1CC1C(=O)NCc1cccnc1 to have a lower QED value.,CCC1CCCCC(C(=O)NCc2cccnc2)C1
AtomNum,"The molecule has 29 carbon atoms, and 3 oxygen atoms.",C=CCC(=Cc1ccc(C(=O)OCC)cc1)CCOCc1ccc(-c2ccccc2)cc1
BondNum,"Please generate a molecule with 5 single bonds, 3 rotatable bonds, and 16 aromatic bonds.",Cc1nc2ccc(CCc3ccccc3)cn2c1N
FunctionalGroup,The molecule consists of and 1 sulfide group.,COc1cccc2c1CCCC2C[NH+](C)CCc1ccc2nc(C)sc2c1
AddComponent,Please add a amine to the molecule CSCCC(NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(C)cc1C.,CSCCC(NC(=O)c1ccccc1N)C(=O)OCC(=O)c1ccc(C)cc1C
SubComponent,Please substitute a halo in the molecule O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccc(F)cc1Cl with a nitrile.,N#Cc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)n1
DelComponent,Modify the molecule C[NH+]1CCN=C(C(C(N)=O)=C([NH3+])c2ccc(F)c(Cl)c2)C1 by removing a halo.,C[NH+]1CCN=C(C(C(N)=O)=C([NH3+])c2ccc(F)cc2)C1
LogP,Optimize the molecule CCn1c(CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)n[nH]c1=S to have a lower LogP value.,CCn1c(CNC(=O)c2cccnc2NC(F)(F)F)n[nH]c1=S
MR,Optimize the molecule CCOC(=O)c1c(-c2cccc(Oc3ccccc3)c2)[nH]c2cc(F)cc(F)c2c1=O to have a higher MR value.,CCOC(=O)c1c(-c2cccc(Oc3cccc(S)c3)c2)[nH]c2cc(F)cc(F)c2c1=O
QED,Modify the molecule O=C(NCC(O)Cc1ccccc1)c1ccc2nncn2c1 to increase its QED value.,N#CC(CNC(=O)c1ccc2nncn2c1)Cc1ccccc1
AtomNum,"The molecule has 17 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCC(C)NC(=O)c1ccccc1S(=O)(=O)Nc1cnccc1OC
BondNum,"The molecule contains 7 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",Cc1ccccc1C(=O)Nc1c(Br)cc(Br)cc1Br
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 amine group.",Cc1cc(C(=O)N(CCC(N)=S)c2ccccc2)no1
AddComponent,Add a benzene ring to the molecule CC(C)Oc1ccc(C(Br)Cc2cccc(F)c2F)cc1.,CC(Cc1ccccc1)Oc1ccc(C(Br)Cc2cccc(F)c2F)cc1
SubComponent,Modify the molecule COc1cccc(C(C)(O)c2cccc(CC(C)C)c2)c1 by substituting a hydroxyl with a aldehyde.,CC(=O)C(C)(c1cccc(CC(C)C)c1)c1cccc(OC)c1
DelComponent,Please remove a benzene ring from the molecule COc1cccc(C(=O)Nc2nonc2-c2ccccc2)c1.,COC(=O)Nc1nonc1-c1ccccc1
LogP,Please optimize the molecule O=C(COc1ccc(Cl)cc1)NCCOc1ccc2c(c1)OCO2 to have a lower LogP value.,O=C(COc1ccc(S)cc1)NCCOc1ccc2c(c1)OCO2
MR,Modify the molecule Cc1noc(C)c1CC(=O)N1CCC(n2c(C)c[nH+]c2C2CCOCC2)C1 to decrease its MR value.,Cc1noc(C)c1C1CC(n2c(C)c[nH+]c2C2CCOCC2)C1
QED,Modify the molecule CN(C)C(=O)CN(C)C(=O)c1c(F)ccc(N)c1F to decrease its QED value.,CN(C)C(=O)CN(C)C(=O)c1c(F)cccc1F
AtomNum,"Please generate a molecule composed of 25 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1ccc2c(C)c(C(=O)Nc3sc4c(c3C(=O)NCc3cccnc3)CCC4)oc2c1
BondNum,"Please generate a molecule with 21 single bonds, and 4 rotatable bonds.",OCC[NH+](C1CCC1)C1CCOC2(CCCCC2)C1
FunctionalGroup,The molecule has and 1 nitro group.,CCc1nn(C)c(N2CCC(C)C(C[NH3+])C2)c1[N+](=O)[O-]
AddComponent,Please add a hydroxyl to the molecule COCC[NH2+]CC(=O)N(CC(=O)N(CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CC(=O)N(CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CC(=O)N(CC(=O)N(CCOC)CC(N)=O)Cc1cn(C2CC(n3cc(C)c(=O)[nH]c3=O)OC2CO)nn1)Cc1ccccc1)Cc1cn(C2CC(n3cc(C)c(=O)[nH]c3=O)OC2CO)nn1)Cc1ccccc1)Cc1cn(C2CC(n3cc(C)c(=O)[nH]c3=O)OC2CO)nn1)Cc1ccccc1.,COCC[NH2+]CC(=O)N(CC(=O)N(CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CC(=O)N(CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CC(=O)N(CC(=O)N(CCOC)CC(N)=O)Cc1cn(C2CC(n3cc(C)c(=O)[nH]c3=O)OC2CO)nn1)Cc1ccccc1)Cc1nnn(C2CC(n3cc(C)c(=O)[nH]c3=O)OC2CO)c1O)Cc1ccccc1)Cc1cn(C2CC(n3cc(C)c(=O)[nH]c3=O)OC2CO)nn1)Cc1ccccc1
SubComponent,Modify the molecule halo by substituting a COc1cc(C=O)cc(I)c1OC1C=C(C(=O)NCCO)CC(N(CC(F)(F)F)C(=O)c2ccc(C(F)(F)F)cc2)C1O with a nitro.,COc1cc(C=O)cc(NO)c1OC1C=C(C(=O)NCCO)CC(N(CC(F)(F)F)C(=O)c2ccc(C(F)(F)F)cc2)C1O
DelComponent,Please remove a benzene ring from the molecule CCNC(NCCNC(=O)OC(C)(C)C)=[NH+]Cc1ccc(NC(=O)NC(C)C)cc1.,CCNC(NCCNC(=O)OC(C)(C)C)=[NH+]CNC(=O)NC(C)C
LogP,Please optimize the molecule O=P(N=C(Sc1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1 to have a lower LogP value.,O=P(N=C(S)c1ccccc1)(Oc1ccccc1)Oc1ccccc1
MR,Modify the molecule CC[NH+]1CCN(CC(C(=O)NN)c2ccccc2)CC1C to have a higher MR value.,CC[NH+]1CCN(CC(C(=O)NN)c2ccccc2)C(c2ccccc2)C1C
QED,Modify the molecule OC(CNc1ccc(-c2ccc(F)cc2)nn1)C1CCCC1 to decrease its QED value.,OC(CNc1ccc(F)nn1)C1CCCC1
AtomNum,"Please generate a molecule with 17 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",N#CC(=Cc1cc2c(cc1Br)OCO2)Sc1nc2ccccc2[nH]1
BondNum,"The molecule contains 23 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",O=C(NCCC[NH+]1CCC2(CC1)OCc1ccccc12)C1(c2ccc(Cl)cc2)CCCC1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, and 2 halo groups.",CCC1(OC(O)CC(OC)C2CC(CI)OC2CI)CCCC1
AddComponent,Please add a benzene ring to the molecule CCC(C)[NH+](CCOC)C(C)CC(N)=S.,CCC(C)[NH+](C(C)CC(N)=S)C(COC)c1ccccc1
SubComponent,Substitute a halo in the molecule Fc1ccc(CBr)c(F)c1Br with a nitrile.,N#Cc1ccc(CBr)c(F)c1Br
DelComponent,Please remove a amine from the molecule CN(C)c1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1.,CN(C)c1ncc(C(=O)NC2(C(F)(F)F)CC2)s1
LogP,Modify the molecule C=CC(=O)NC1CCCC=C(I)C1 to decrease its LogP value.,CC(=O)C1=CCCCC(NC(=O)C=C)C1
MR,Please optimize the molecule CCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1OC to have a higher MR value.,CCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2F)C(N)C[NH2+]C3)cc1OC
QED,Optimize the molecule CCC(CCO)[NH2+]C1(CN)CC(C)(C)CC1C to have a higher QED value.,CCC(CCO)[NH2+]C1(C)CC(C)(C)CC1C
AtomNum,"There is a molecule consisting of 24 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 bromine atom.",CN1C(=O)N(c2ccccc2Br)Cc2cnc(N(C3=CC=CC(CO)C3)C3=COC=CO3)nc21
BondNum,"The molecule has 10 single bonds, 3 rotatable bonds, and 5 aromatic bonds.",CCn1nncc1NC1CC(C)(C)C1
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, 1 amide group, and 2 amine groups.",NC1=[NH+]C(=O)C2N=CC(CO)=NC2=[NH+]1
AddComponent,Please add a amine to the molecule CCCN(CC(N)=S)C(=O)c1ccnnc1.,CC(N)CN(CC(N)=S)C(=O)c1ccnnc1
SubComponent,Modify the molecule halo by substituting a O=C(NCC1CCOC1)c1ccc(F)c2ccccc12 with a thiol.,O=C(NCC1CCOC1)c1ccc(S)c2ccccc12
DelComponent,Please remove a amide from the molecule CC(C)CC1[NH2+]C(C(C)C)N(CC[NH+]2CCOCC2)C1=O.,CC(C)C[NH2+]C(CC(C)C)C[NH+]1CCOCC1
LogP,Optimize the molecule CCC(C)CNc1c(N)cccc1F to have a higher LogP value.,CCC(C)CNc1ccccc1F
MR,Please modify the molecule C#CCOC(=O)CC(C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCc2ccccc2C1 to increase its MR value.,C#CCOC(=O)CC(C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCc2cccc(O)c2C1
QED,Modify the molecule [NH3+]C(c1cccnc1)c1ccc2[nH+]cc(-c3ccccc3)n2n1 to increase its QED value.,[NH3+]C(c1cccnc1)c1ccc2[nH+]ccn2n1
AtomNum,"The molecule contains 31 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",CCCNC(=O)c1ccc(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)N(CC)CC)c3)CC2)cc1
BondNum,"The molecule consists of 43 single bonds, 3 double bonds, 18 rotatable bonds, and 30 aromatic bonds.",COC1C(COP(O)(=S)OC2CC(CCP(C)(=O)OC)OC2n2cnc3c(N)ncnc32)OC(n2cnc3c(N)ncnc32)C1OP(O)(=S)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
FunctionalGroup,"There is a molecule composed of 1 nitrile group, and 1 sulfide group.",CN(c1cccs1)c1ccc2c3c(cccc13)C1=C(C#N)C(=O)N=C12
AddComponent,Add a carboxyl to the molecule CC(C)(C)OC(=O)N1CCCC1(C)C(=O)C=N.,CC(C)(CC(=O)O)OC(=O)N1CCCC1(C)C(=O)C=N
SubComponent,Modify the molecule halo by substituting a C[NH+]1C(C(=O)OC(C)(C)C)C(c2cccc(Cl)c2F)C2(C(=O)Nc3cc(Cl)ccc32)C1CC(C)(C)C with a aldehyde.,CC(=O)c1cccc(C2C(C(=O)OC(C)(C)C)[NH+](C)C(CC(C)(C)C)C23C(=O)Nc2cc(Cl)ccc23)c1F
DelComponent,Please remove a halo from the molecule O=C(C=Cc1ccc(O)c(Br)c1)c1cc(Br)c([O-])c(Br)c1.,O=C(C=Cc1ccc(O)c(Br)c1)c1ccc([O-])c(Br)c1
LogP,Modify the molecule CCOc1ccc(Oc2ncc(F)cc2C[NH3+])cc1 to increase its LogP value.,CCOc1ccc(Oc2ncc(S)cc2C[NH3+])cc1
MR,Modify the molecule CC1(C)C2CC(=O)C(O)(CO)C1C2 to increase its MR value.,CC1(C)C2CC1C(O)(CO)C(=O)C2c1ccccc1
QED,Optimize the molecule O=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6cccnc6)cncc5[nH]4)n[nH]c3cn2)c1)C1CCC1 to have a lower QED value.,O=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6cccnc6)cncc5[nH]4)n[nH]c3cn2)c1)C1CCC1O
AtomNum,"There is a molecule composed of 42 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",c1cc(-c2cccc3c2Cc2ncc(-n4c5ccccc5c5ccccc54)cc2-3)cc(-c2cccc3c2sc2ccccc23)c1
BondNum,"There is a molecule composed of 8 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",CCc1ccccc1C([NH3+])Cc1nc(C)c(C)s1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 ester group.",CCOC(=O)CC1C(=O)N=c2ccccc2=C(c2ccccc2)N1[O-]
AddComponent,Please add a hydroxyl to the molecule C[NH+]=C(NCC1C[NH+]2CCCC2CO1)NC1CCC(SC)C1.,C[NH+]=C(NCC1C[NH+]2CCCC2C(O)O1)NC1CCC(SC)C1
SubComponent,Please substitute a CCC(C)OC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1cc(Br)c(OC)c(OC)c1 in the molecule halo with a nitrile.,CCC(C)OC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1cc(C#N)c(OC)c(OC)c1
DelComponent,Remove a benzene ring from the molecule CC(C)(C)[Si]([Si])c1ccccc1.,CC(C)(C)[Si][Si]
LogP,Modify the molecule O=C1CC(c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 to have a lower LogP value.,Nc1cc(Cl)ccc1C1CC(=O)c2cn3nc(SCc4ccccc4Cl)nc3nc2C1
MR,Modify the molecule Cc1ccc(N2C(=O)C3Sc4c(sc(=O)n4CC(=O)N4CCCCC4)C(c4ccc(O)cc4)C3C2=O)cc1 to have a higher MR value.,Cc1ccc(N2C(=O)C3Sc4c(sc(=O)n4CC(=O)N4CCCCC4)C(c4ccc(S)cc4)C3C2=O)cc1
QED,Please optimize the molecule Cc1nc2nc(NC(=O)c3ccco3)[nH]n2c(=O)c1Cl to have a lower QED value.,Cc1nc2nc(NC(=O)c3ccco3)[nH]n2c(=O)c1S
AtomNum,"There is a molecule composed of 19 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCCOc1ccc(C)cc1NC(=O)c1ccc(OC)c(OC)c1
BondNum,"There is a molecule with 19 single bonds, 2 double bonds, 1 triple bond, 5 rotatable bonds, and 11 aromatic bonds.",N#CC(Cl)CN1CCN(c2cc3c(cc2F)c(=O)c(OC(=O)[O-])cn3C2CC2)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 nitro group, and 1 sulfone group.",CC1(C)CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC1[NH3+]
AddComponent,Add a benzene ring to the molecule O=C(c1ccco1)N1CCC2(CC1)CC(CCOc1cccnc1)CCO2.,O=C(c1ccco1)N1CCC2(CC(CCOc3cccnc3)CCO2)C(c2ccccc2)C1
SubComponent,Modify the molecule halo by substituting a CNc1nc(C(=O)NCC(O)c2c(Cl)cccc2Cl)cs1 with a thiol.,CNc1nc(C(=O)NCC(O)c2c(S)cccc2Cl)cs1
DelComponent,Modify the molecule Cc1cccc(NC(CO)c2cccs2)c1 by removing a amine.,Cc1cccc(C(CO)c2cccs2)c1
LogP,Modify the molecule Cc1ccc(C)c(C(O)C[NH+](C)Cc2nnc3ccccn23)c1 to increase its LogP value.,Cc1ccc(C)c(C(C#N)C[NH+](C)Cc2nnc3ccccn23)c1
MR,Modify the molecule Clc1cccc(C[NH2+]Cc2cccnn2)c1Cl to have a higher MR value.,CC(=O)c1cccc(C[NH2+]Cc2cccnn2)c1Cl
QED,Please modify the molecule O=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1ccc(Br)cc1 to decrease its QED value.,O=CCc1c(NCC(=O)Nc2ccc(Br)cc2)cccc1C(=O)NC1CCCCC1
AtomNum,"The molecule contains 14 carbon atoms, 7 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",CCOC1=CC(C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC)C(F)=C1
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",COCC(CCCl)NC(=O)c1cc(F)c(Cl)cc1F
FunctionalGroup,Please generate a molecule consisting and 1 hydroxyl group.,OC1(CC2CC3CCC2C3)CC1
AddComponent,Modify the molecule CC(=O)Nc1cccc(SC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 by adding a benzene ring.,CC(=O)Nc1cccc(SC(C(=O)Nc2cccc(C(F)(F)F)c2-c2ccccc2)c2ccccc2)c1
SubComponent,Substitute a halo in the molecule Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C[NH3+])c2F)cc1 with a carboxyl.,Cc1ccc(NS(=O)(=O)c2cc(C(=O)[OH])cc(C[NH3+])c2F)cc1
DelComponent,Modify the molecule halo by removing a COc1ccc2c3c([nH]c2c1)C(CO)[NH+](C)CC31CN(S(=O)(=O)c2cccc(F)c2)C1.,COc1ccc2c3c([nH]c2c1)C(CO)[NH+](C)CC31CN(S(=O)(=O)c2ccccc2)C1
LogP,Optimize the molecule Fc1ccc(Br)cc1CNc1cccc2n[se]nc12 to have a higher LogP value.,Sc1ccc(Br)cc1CNc1cccc2n[se]nc12
MR,Optimize the molecule CC(C)=Cc1ccc(C#N)c(=S)[nH]1 to have a lower MR value.,CC(C)=Cc1cccc(=S)[nH]1
QED,Please modify the molecule COc1cc(CNC(=O)C2(Cc3ccccc3CN=[N+]=[N-])N=C(c3ccc(OCCCO)cc3)OC2c2ccccc2CN=[N+]=[N-])cc(OC)c1 to decrease its QED value.,COc1cc(CNC(=O)C2(Cc3ccccc3CN=[N+]=[N-])N=C(c3ccc(OCCCI)cc3)OC2c2ccccc2CN=[N+]=[N-])cc(OC)c1
AtomNum,"The molecule contains 27 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 3 fluorine atoms, and 2 chlorine atoms.",CCC(C)C(NC(=O)C[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1
BondNum,"There is a molecule consisting of 6 single bonds, 1 double bond, 4 rotatable bonds, and 15 aromatic bonds.",Cc1ccc(C[NH2+]C(C)c2ccc3[nH]c(=O)[nH]c3c2)s1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, 1 nitro group, and 1 halo group.",CN(CCOc1cccc([N+](=O)[O-])c1)C(=O)CCCl
AddComponent,Modify the molecule CCC1CCC(C(C)CC(=O)[O-])CC1 by adding a benzene ring.,CC(CC(=O)[O-])C1CCC(CCc2ccccc2)CC1
SubComponent,Substitute a halo in the molecule C[NH+]=C(NCc1csc(Br)c1)NC1C[NH+](C2CC2)CC1C with a thiol.,C[NH+]=C(NCc1csc(S)c1)NC1C[NH+](C2CC2)CC1C
DelComponent,Modify the molecule amine by removing a CCOc1cc(N2CCOCC2)c(OCC)c2c1NCC2.,CCOc1cc(N2CCOCC2)c(OCC)c2c1CC2
LogP,Optimize the molecule Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Br)cnc12 to have a lower LogP value.,Cc1nn(Cc2ccccc2Cl)c2cc(Br)cnc12
MR,Please optimize the molecule O=C1COc2cc(OCc3ccc(OC(F)(F)F)cc3)ccc2N1 to have a higher MR value.,N#CC(F)(F)Oc1ccc(COc2ccc3c(c2)OCC(=O)N3)cc1
QED,Please modify the molecule N#CC(=Cc1ccc(I)o1)C(=O)NCC1CCCO1 to increase its QED value.,O=C(C=Cc1ccc(I)o1)NCC1CCCO1
AtomNum,"There is a molecule with 13 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CC(C)(C(Cc1ccc(Br)s1)NN)[NH+]1CCCC1
BondNum,"There is a molecule composed of 12 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",COC(=O)CC1COC(c2cccc(OC)c2)O1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, 1 amide group, 2 halo groups, and 1 sulfide group.",O=C(OCC(=O)N1CCc2sccc2C1)c1ccccc1-n1ncc(Cl)c(Cl)c1=O
AddComponent,Add a hydroxyl to the molecule CC(C)(CC(=O)[O-])NC(=O)CC1([NH3+])CCCCC1.,CC(C)(CC(=O)[O-])NC(=O)C(O)C1([NH3+])CCCCC1
SubComponent,Modify the molecule hydroxyl by substituting a CC(O)C[As](=O)([O-])c1ccccc1Cl with a thiol.,CC(S)C[As](=O)([O-])c1ccccc1Cl
DelComponent,Modify the molecule CCC1(C(=O)[O-])CCN(C(=O)N(C)c2ccc(O)cc2)C1 by removing a hydroxyl.,CCC1(C(=O)[O-])CCN(C(=O)N(C)c2ccccc2)C1
LogP,Optimize the molecule CC1C2CC3CN=CCC4=C(C3)CC1C(=C4)[NH2+]2 to have a higher LogP value.,CC1C2CC3CN=C(c4ccccc4)CC4=C(C3)CC1C(=C4)[NH2+]2
MR,Please optimize the molecule CCc1nnc(CCl)n1-c1ccc(C)cc1C to have a lower MR value.,CCc1nnc(CCl)n1CC
QED,Modify the molecule CC1CCC(C(C)C)C(NC(=O)c2nnc(Cl)s2)C1 to have a lower QED value.,CC1CCC(C(C)CO)C(NC(=O)c2nnc(Cl)s2)C1
AtomNum,"There is a molecule composed of 13 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",COc1ccc(OC)c(C(=O)C[NH+](C)CC(=O)[O-])c1
BondNum,"Please generate a molecule with 45 single bonds, 12 rotatable bonds, and 90 aromatic bonds.",Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(C)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(C)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)ccc2-3)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 ester group.",CCC(CC)[NH+](C)Cc1ccccc1CC(=O)OC
AddComponent,Modify the molecule OC(c1ccc(OC2CC2)cc1)c1cnccn1 by adding a benzene ring.,OC(c1ccc(OC2CC2)c(-c2ccccc2)c1)c1cnccn1
SubComponent,Substitute a COc1cc(C(=O)N2CC(NC(=O)C([NH3+])CCCC[NH3+])CC2C(=O)[O-])ccc1O in the molecule hydroxyl with a aldehyde.,CC(=O)c1ccc(C(=O)N2CC(NC(=O)C([NH3+])CCCC[NH3+])CC2C(=O)[O-])cc1OC
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(CC[NH+]=C(N)N)cc1C.,COC(C)C[NH+]=C(N)N
LogP,Please modify the molecule C#CCNC(=O)C(C)Sc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1 to decrease its LogP value.,C#CCNC(=O)C(C)Sc1nncn1-c1ccc(OC)cc1
MR,Please modify the molecule O=C(NCCc1cn[nH]c1)N1CCC(C2CCOCC2)C1 to increase its MR value.,O=C(NCCc1cn[nH]c1)N1CC(O)C(C2CCOCC2)C1
QED,Please optimize the molecule CCOP1(=O)OC(c2ccc(OC)cc2)=C(c2ccc(C)cc2)C=C1C to have a higher QED value.,CCOP1(=O)OC(OC)=C(c2ccc(C)cc2)C=C1C
AtomNum,"There is a molecule with 30 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)C(C)C(=O)NC(C)CC)S(=O)(=O)c1ccccc1
BondNum,"The molecule contains 9 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",COCc1ncc(C(=O)Nc2nc(C)cc(C)n2)c(Cl)n1
FunctionalGroup,There is a molecule with and 1 ester group.,C=CC(=O)OC(C)(C)C(C)[NH3+]
AddComponent,Modify the molecule CCNC(=O)C(CCn1c(=O)cc(Cl)[nH]c1=O)N(O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 by adding a benzene ring.,CCNC(=O)C(CCn1c(=O)cc(Cl)[nH]c1=O)N(O)S(=O)(=O)c1ccc(Oc2ccccc2-c2ccccc2)cc1
SubComponent,Please substitute a CCC([NH3+])c1ccn(Cc2cccc([N+](=O)[O-])c2C)c1 in the molecule nitro with a thiol.,CCC([NH3+])c1ccn(Cc2cccc([SH]=O)c2C)c1
DelComponent,Remove a O=C([O-])C1(Cc2csc(Cl)c2)CCCS1 from the molecule halo.,O=C([O-])C1(Cc2ccsc2)CCCS1
LogP,Optimize the molecule NC(=O)CSc1ccccc1NCc1ccc(F)c(Br)c1 to have a higher LogP value.,Fc1ccc(CNc2ccccc2S)cc1Br
MR,Please modify the molecule CC(=N[NH+]=C(N)N)c1cc(NC(=O)CCC[NH+]=C(N)N)cc(C(C)=N[NH+]=C(N)N)c1 to decrease its MR value.,CC(=N[NH+]=CN)c1cc(NC(=O)CCC[NH+]=C(N)N)cc(C(C)=N[NH+]=C(N)N)c1
QED,Modify the molecule CS(=O)(=O)Cc1cc(N)ccc1S(=O)(=O)Cc1ccc2c(c1)B(O)OC2 to have a lower QED value.,CS(=O)(=O)C(O)c1cc(N)ccc1S(=O)(=O)Cc1ccc2c(c1)B(O)OC2
AtomNum,"There is a molecule composed of 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC1(C)CCN(C(=O)CN2CCC(=O)NC2=O)CC1c1ccccc1
BondNum,"The molecule contains 8 single bonds, 2 double bonds, 2 triple bonds, 4 rotatable bonds, and 6 aromatic bonds.",C#CCN(CC#N)S(=O)(=O)c1cc(Br)ccc1Br
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",Cc1cc(C#CCCO)cc(NC(=O)c2c[nH]c(=O)[nH]2)c1
AddComponent,Modify the molecule CCCOc1ccccc1C(CC1CCCCO1)[NH2+]C by adding a hydroxyl.,C[NH2+]C(CC1CCCCO1)c1ccccc1OCC(C)O
SubComponent,Modify the molecule hydroxyl by substituting a Cn1ccnc1C([NH2+]CC1(O)CCOCC1)c1cccs1 with a aldehyde.,CC(=O)C1(C[NH2+]C(c2cccs2)c2nccn2C)CCOCC1
DelComponent,Remove a amine from the molecule CCNC(NC(C)CCC[NH+](CC)CC)=[NH+]Cc1cc(C(CC)CC)no1.,CCNC(=[NH+]Cc1cc(C(CC)CC)no1)C(C)CCC[NH+](CC)CC
LogP,Please optimize the molecule C1=Cc2cc(-n3c4ccccc4c4ccccc43)ccc2Nc2ccccc21 to have a higher LogP value.,C1=Cc2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccccc21
MR,Please optimize the molecule CC(CC#N)NC(=O)c1cc(O)ccc1Cl to have a higher MR value.,CC(=O)CC(C)NC(=O)c1cc(O)ccc1Cl
QED,Modify the molecule CCCS(=O)(=O)c1ccccc1-n1cc[nH+]c1CC[NH3+] to have a lower QED value.,CCCS(=O)(=O)c1ccccc1-n1cc[nH+]c1C(O)C[NH3+]
AtomNum,"Please generate a molecule with 17 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",C[NH+]1CCN(c2cc(C(=O)Nc3ccc(F)cc3)ccn2)CC1
BondNum,"The molecule is composed of 18 single bonds, 4 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)OC(C)N(C(=O)c1ccc(C(F)(F)F)c(S(C)(=O)=O)c1C)c1nnc(C)o1
FunctionalGroup,"The molecule has 4 thioether groups, and 2 sulfide groups.",CC[NH2+]C(COC)Cc1nc(C2SCCSC2CC)no1
AddComponent,Modify the molecule COc1cc(C=Nc2ccc(C)c(F)c2)ccc1OCC(C)C by adding a hydroxyl.,COc1cc(C=Nc2ccc(C)c(F)c2O)ccc1OCC(C)C
SubComponent,Modify the molecule COc1ccc(C2=CC(=Cc3ccc(Br)o3)C(=O)O2)cc1 by substituting a halo with a nitrile.,COc1ccc(C2=CC(=Cc3ccc(C#N)o3)C(=O)O2)cc1
DelComponent,Remove a benzene ring from the molecule CCN(C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1ccc(F)cc1.,CCN(F)C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1Cl
LogP,Optimize the molecule Cc1nc2ccccc2n(CC2(CBr)CC2)c1=O to have a lower LogP value.,Cc1nc2ccccc2n(CC2(C)CC2)c1=O
MR,Please modify the molecule CC(O)CCNC(=O)CCCc1ccc(F)c(F)c1 to decrease its MR value.,CC(O)CCCCc1ccc(F)c(F)c1
QED,Please optimize the molecule O=C([O-])NCCC1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 to have a lower QED value.,O=C([O-])NCCC1CC[NH+](COC(F)(F)F)CC1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",COc1ccc(-c2cc3cccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)cn1
BondNum,"Please generate a molecule composed of 12 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",COC(=O)C([NH2+]C1c2ccccc2Oc2ccccc21)C(C)C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, 2 amide groups, and 1 sulfide group.",Cc1cc(C(=O)Nc2cccc(C(C[NH2+]CCO)NC(=O)c3cc4cc5c(nc4s3)CCC(C(C)(C)C)C5)c2)no1
AddComponent,Add a benzene ring to the molecule CCCc1ccc(CC[NH2+]C2CNC(C)(C)C2)cc1.,CCCc1ccc(CC[NH2+]C2CNC(C)(C)C2)cc1-c1ccccc1
SubComponent,Modify the molecule CC(C)(C)OC(=O)N1CCC2(CC1)CC(C#N)C2 by substituting a nitrile with a hydroxyl.,CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)C2
DelComponent,Modify the molecule CC(CS)C(=O)OC(COCc1ccccc1)C(=O)[O-] by removing a benzene ring.,COCC(OC(=O)C(C)CS)C(=O)[O-]
LogP,Please optimize the molecule Cc1cn(C)c2nc(Cl)n3c(=O)c4c(F)cccc4nc3c12 to have a lower LogP value.,Cc1cn(C)c2nc(O)n3c(=O)c4c(F)cccc4nc3c12
MR,Please modify the molecule N#Cc1ccc(NCCCN2CC[NH2+]CC2)c(Cl)c1 to decrease its MR value.,Clc1ccccc1NCCCN1CC[NH2+]CC1
QED,Please modify the molecule CC1CC[NH+](C(CNC(=O)NCC(=O)Nc2ccc(Cl)cc2)C(C)C)CC1 to decrease its QED value.,CC1CC[NH+](C(CNC(=O)NCC(=O)NCl)C(C)C)CC1
AtomNum,"The molecule consists of 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 fluorine atom, and 1 chlorine atom.",COc1ccc(NCc2c(Cl)oc3ccccc23)cc1F
BondNum,"There is a molecule with 22 single bonds, 2 double bonds, 11 rotatable bonds, and 12 aromatic bonds.",CCCS(=O)(=O)c1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCC
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",CC(Nc1ccc(F)cc1)C(N)=O
AddComponent,Please add a benzene ring to the molecule Cc1[nH]ncc1CCCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C.,Cc1[nH]ncc1CCCNC(=O)c1cnn(-c2ccc(-c3ccccc3)c(Cl)c2)c1C(C)C
SubComponent,Please substitute a CCC[NH2+]C(c1ccoc1)c1ccc(F)c(F)c1 in the molecule halo with a hydroxyl.,CCC[NH2+]C(c1ccoc1)c1ccc(O)c(F)c1
DelComponent,Remove a amine from the molecule c1cc2c(c(C3CCOC4(CCC4)C3)c1)NCCC2.,c1cc2c(c(C3CCOC4(CCC4)C3)c1)CCC2
LogP,Optimize the molecule C[NH2+]C(Cc1cccc(F)c1F)c1ccc(C)cc1Br to have a lower LogP value.,C[NH2+]C(Cc1cccc(F)c1)c1ccc(C)cc1Br
MR,Please optimize the molecule COc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1C to have a lower MR value.,COc1ccc(S(=O)(=O)N2CCCC3C[NH+](Cc4ccccc4)CCC32)cc1C
QED,Modify the molecule FC1(F)CC(C2CC2(Cl)Cl)C1(F)F to have a higher QED value.,OC1C(C2CC(F)(F)C2(F)F)C1(Cl)Cl
AtomNum,"The molecule is composed of 22 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cn1nc2c(c1-c1ccccc1)CCC1C(C)(C)C(=O)C(C#N)=CC21C
BondNum,"There is a molecule consisting of 9 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCC(C[NH2+]C(C)CO)c1ccccc1
FunctionalGroup,"Please generate a molecule with 2 thioether groups, and 1 sulfide group.",CCCCCCCCCCCCSCC(=O)[O-]
AddComponent,Please add a benzene ring to the molecule Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)NC1CCC(C)CC1.,Cc1nc2c(-c3ccccc3)cccc2c(C)c1C(=O)OCC(=O)NC1CCC(C)CC1
SubComponent,Please substitute a hydroxyl in the molecule Cn1ncnc1CC(C)(O)c1cccnc1 with a carboxyl.,Cn1ncnc1CC(C)(C(=O)[OH])c1cccnc1
DelComponent,Remove a halo from the molecule O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CC[NH2+]CC3)c2)c2ccccc12.,O=c1[nH]nc(Cc2cccc(P3(=O)CC[NH2+]CC3)c2)c2ccccc12
LogP,Modify the molecule CC1NC(=O)Nc2c1cccc2C(F)(F)F to decrease its LogP value.,CC1NC(=O)Nc2c(C(F)F)cccc21
MR,Please modify the molecule C=C1C(=O)N(C)CC12[CH][CH][CH][CH]C2Cl to decrease its MR value.,C=C1C(=O)N(C)CC12[CH][CH][CH][CH]C2
QED,Modify the molecule C=C(NOC)c1nccs1 to decrease its QED value.,C=C(OC)c1nccs1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",C=CCn1c(COc2ccccc2F)nnc1SCCC
BondNum,"The molecule contains 10 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1cc(F)c(Br)cc1C([NH3+])Cc1ccc(F)c(F)c1
FunctionalGroup,"The molecule has 1 ester group, and 4 halo groups.",CCOC(=O)c1cc(Br)c(C(F)(F)F)cn1
AddComponent,Please add a benzene ring to the molecule COCCCN(C(=O)c1ccccc1Br)C(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1.,COCC(CN(C(=O)c1ccccc1Br)C(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a C=CCOc1c(Br)cc(C[NH+]2CCC3(CC[NH2+]CC3)C2)cc1OC with a hydroxyl.,C=CCOc1c(O)cc(C[NH+]2CCC3(CC[NH2+]CC3)C2)cc1OC
DelComponent,Remove a amide from the molecule Cc1cccc(OCC(=O)NCCSCc2ccccc2)c1.,Cc1cccc(OCCSCc2ccccc2)c1
LogP,Modify the molecule CC(C)c1cccc(OCC(C)(CO)[NH2+]C2CC2)c1 to have a lower LogP value.,CC(C)c1cccc(OCC(C)(CNO)[NH2+]C2CC2)c1
MR,Modify the molecule Cc1cc(N)cc(-c2nc(CC[NH+](C)C)no2)c1C to decrease its MR value.,CCNc1nc(CC[NH+](C)C)no1
QED,Modify the molecule CC(Cl)c1nc2cc(Cl)cnc2n1CC1CSCCS1 to increase its QED value.,OCC(Cl)c1nc2cc(Cl)cnc2n1CC1CSCCS1
AtomNum,"The molecule contains 27 carbon atoms, and 8 oxygen atoms.",CCC(=O)OC1CCC(C)=CC2OC(=O)C(C)=C2C(OC(C)=O)C2C(C)=CCC(OC(C)=O)C12C
BondNum,"The molecule consists of 6 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",CCc1cc(O)c(O)c(-c2ccccc2)c1O
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 nitrile group, 1 sulfide group, and 1 sulfone group.",N#CCCN(Cc1ccccc1)S(=O)(=O)c1cccs1
AddComponent,Please add a aldehyde to the molecule CC(O)CC1CC2CC1C1C3C=CC(C3)C21.,CC(O)CC1CC2CC1C1(CC=O)C3C=CC(C3)C21
SubComponent,Modify the molecule O=C1CCCC2=C1C(c1ccccc1)C1C(O)CCCC1[NH2+]2 by substituting a hydroxyl with a aldehyde.,CC(=O)C1CCCC2[NH2+]C3=C(C(=O)CCC3)C(c3ccccc3)C21
DelComponent,Remove a COc1ccc(OCc2ccc(OC)c(F)c2)c(CO)c1 from the molecule halo.,COc1ccc(COc2ccc(OC)cc2CO)cc1
LogP,Please modify the molecule COc1ccc(OC(C)c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2CC(C)C)cc1 to decrease its LogP value.,CC(=O)c1cccc(NC(=O)CSc2nnc(C(C)Oc3ccc(OC)cc3)n2CC(C)C)c1
MR,Modify the molecule CCOC(=O)c1sc(-c2ccc(F)cc2)nc1NC(=O)OC(C)(C)C to increase its MR value.,CC(C)(C)OC(=O)Nc1nc(-c2ccc(F)cc2)sc1C(=O)OCCc1ccccc1
QED,Modify the molecule CCCc1ccc2c(F)c(-c3cc(F)c(-c4cc(F)c(C(F)(F)Oc5cc(F)c(C(F)(F)OC(F)(F)F)c(F)c5)c(F)c4)c(F)c3)ccc2c1 to have a higher QED value.,CCCc1ccc2c(O)c(-c3cc(F)c(-c4cc(F)c(C(F)(F)Oc5cc(F)c(C(F)(F)OC(F)(F)F)c(F)c5)c(F)c4)c(F)c3)ccc2c1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 3 fluorine atoms.",CCC(C)(C)C(=O)N1CC[NH+](C(C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1
BondNum,"The molecule contains 14 single bonds, 3 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CC(CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 ketone group, 1 ester group, 2 nitro groups, and 2 halo groups.",O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1
AddComponent,Add a hydroxyl to the molecule CCOC(=O)N1CCC(NC(=O)COC(=O)CNS(=O)(=O)C=Cc2ccc(C)cc2)CC1.,CCOC(=O)N1CCC(NC(=O)COC(=O)CNS(=O)(=O)C=C(O)c2ccc(C)cc2)CC1
SubComponent,Modify the molecule Nc1ccc2c(c1)N(Cc1ccc(F)c(Cl)c1)CCC2 by substituting a halo with a nitro.,Nc1ccc2c(c1)N(Cc1ccc(NO)c(Cl)c1)CCC2
DelComponent,Please remove a benzene ring from the molecule CCCCCCCCCC(=O)NC(C)c1ccc(N)cc1.,CCCCCCCCCC(=O)NC(C)N
LogP,Modify the molecule [NH3+]CC1(c2ccc(Br)cc2)CCC(F)(F)C1 to decrease its LogP value.,Nc1cc(Br)ccc1C1(C[NH3+])CCC(F)(F)C1
MR,Modify the molecule CCc1ccc(CNC(=O)c2ccc(Cn3cccn3)cc2)s1 to have a lower MR value.,CCc1ccc(CNC(=O)Cn2cccn2)s1
QED,Modify the molecule CC(=NNC(=O)CCC(=O)Nc1ccccc1Cl)c1ccc2ccccc2c1 to increase its QED value.,CC(=NNC(=O)CCC(=O)Nc1ccccc1C#N)c1ccc2ccccc2c1
AtomNum,"Please generate a molecule with 28 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",Cc1cccc(C(=O)NCC(=O)Nc2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1
BondNum,"Please generate a molecule with 16 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 12 aromatic bonds.",C[NH+]1C2CC(Oc3ccc(C=S)cc3)C1CC(C#N)(c1cncc(Br)c1)C2
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, and 2 halo groups.",Cc1cc(C)c(NC(=O)c2cc(F)ccc2F)c(C)c1
AddComponent,Please add a hydroxyl to the molecule C[NH2+]C(C)c1cccc(Oc2c(C)ccc(C)c2C)c1.,C[NH2+]C(C)(O)c1cccc(Oc2c(C)ccc(C)c2C)c1
SubComponent,Please substitute a halo in the molecule Cc1ccc(-c2nc3ccc(Br)c(C)n3c2N)cc1Br with a nitrile.,Cc1ccc(-c2nc3ccc(C#N)c(C)n3c2N)cc1Br
DelComponent,Remove a Cc1cc(Br)cc(N)c1NC(=O)CC1CC1 from the molecule halo.,Cc1cccc(N)c1NC(=O)CC1CC1
LogP,Optimize the molecule CCCC([NH3+])CNc1nccn1CC to have a higher LogP value.,CCCC([NH3+])Cc1nccn1CC
MR,Modify the molecule CCOP(=O)(C(Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(OC(=O)c1ccc(Br)cc1)c1ccccc1 to have a lower MR value.,CCOP(=O)(C(Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(OC(=O)c1ccc(O)cc1)c1ccccc1
QED,Modify the molecule CCCCC(=CCCCCCO)CCCC to have a lower QED value.,CCCCC(=CCCCCCCl)CCCC
AtomNum,"Please generate a molecule with 21 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",Nc1c(C(=O)Nc2ccc(Br)cc2)cc2[nH]c(-c3ccc(Cl)cc3)ccc1-2
BondNum,"The molecule has 8 single bonds, 4 rotatable bonds, and 17 aromatic bonds.",FC(F)(F)c1ccc(NCc2nncn2-c2ccccc2)nc1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 thioether group, and 1 sulfide group.",c1ccc(Oc2ccccc2CSc2nnnn2C2CC2)cc1
AddComponent,Modify the molecule COC(OC)C(O)c1ccsc1C by adding a benzene ring.,COC(OC)C(O)(c1ccccc1)c1ccsc1C
SubComponent,Modify the molecule CCCN(C(=O)C(C)(C)C#N)c1cccc(NC(=O)C(C)(C)C#N)c1 by substituting a nitrile with a hydroxyl.,CCCN(C(=O)C(C)(C)O)c1cccc(NC(=O)C(C)(C)C#N)c1
DelComponent,Remove a halo from the molecule CCCc1c(-c2ccc(CCC(CC)CF)cn2)n(-c2ccc(C)cc2)c2cc(OC(F)F)ccc12.,CCCc1c(-c2ccc(CCC(CC)CF)cn2)n(-c2ccc(C)cc2)c2cc(OCF)ccc12
LogP,Modify the molecule CCOC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(NC(C)=O)cc1 to decrease its LogP value.,CCOC(=O)CN(c1ccccc1CC)S(=O)(=O)NC(C)=O
MR,Modify the molecule COCC1CCN(c2nnc(-c3cc(Br)ccc3F)s2)CC1 to have a lower MR value.,COCC1CCN(c2nnc(-c3cc(C(=O)[OH])ccc3F)s2)CC1
QED,Modify the molecule CCCC1CCC(C2CCC(CCc3ccc(CCCC(=O)c4ccc(OCC)c(CF)c4O)cc3)CC2)CC1 to have a lower QED value.,CCCC1CCC(C2CCC(CC(O)c3ccc(CCCC(=O)c4ccc(OCC)c(CF)c4O)cc3)CC2)CC1
AtomNum,"The molecule has 24 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",CCCc1[nH]n(-c2ccccc2)c(=O)c1C(C)=NCCc1c[nH]c2ccc(F)cc12
BondNum,"Please generate a molecule composed of 5 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",Nc1c(C(=O)[O-])cccc1C(=O)c1ccccn1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 amine groups.",CCOc1cc(N)cc(NCC2CCC(C)CC2)c1
AddComponent,Please add a amine to the molecule CNc1cnccc1C(=O)NCCCNS(C)(=O)=O.,CNc1cnccc1C(=O)NCC(N)CNS(C)(=O)=O
SubComponent,Please substitute a halo in the molecule O=C(CSc1ccc(Br)cc1)NNC(=O)Cc1ccccc1 with a thiol.,O=C(CSc1ccc(S)cc1)NNC(=O)Cc1ccccc1
DelComponent,Remove a COc1ccc(NC(=O)c2ccnc(N3CCCCC3)c2)cc1Cl from the molecule benzene ring.,CON(Cl)C(=O)c1ccnc(N2CCCCC2)c1
LogP,Modify the molecule CCn1nc(C)c(Br)c1CC(=O)c1ccc(OC)nn1 to increase its LogP value.,CCn1nc(C)c(Br)c1CC(=O)c1nnc(OC)cc1-c1ccccc1
MR,Modify the molecule O=C(C1CC2C=CC1C2)N1CCC(c2nn[n-]n2)CC1 to have a lower MR value.,C1=CC2CC1CC1CC(c3nn[n-]n3)CC21
QED,Modify the molecule Cc1nc(Cl)c(C(C#N)N2CC[NH+](C)CC2)n1C to have a lower QED value.,Cc1nc(Cl)c(CN2CC[NH+](C)CC2)n1C
AtomNum,"The molecule is composed of 42 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 fluorine atom.",Cc1ccc(NC(=O)c2cccc(NC(=O)C(NC(=O)C3CC[NH+](CC(=O)Nc4ccc(C(=O)NC5CCCCC5C)cc4C)CC3)C(C)C)c2)cc1F
BondNum,"The molecule consists of 12 single bonds, 3 double bonds, 4 rotatable bonds, and 22 aromatic bonds.",COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C1=O)cn2C
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 halo group.",CCN(CC)c1nccc(C(=O)Nc2ccc(OC)c(Cl)c2)n1
AddComponent,Please add a benzene ring to the molecule CCCCCC(CCCCC)CCOCCCCCCCCCC1(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)OCC(C[NH+]2CCOCC2)O1.,CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC1(CCCCCCCCCOC(CC(CCCCC)CCCCC)c2ccccc2)OCC(C[NH+]2CCOCC2)O1
SubComponent,Substitute a COCC(NC(=O)c1ccnc(Cl)c1)C(C)C in the molecule halo with a aldehyde.,CC(=O)c1cc(C(=O)NC(COC)C(C)C)ccn1
DelComponent,Remove a amine from the molecule CC(=O)N(CCNS(=O)(=O)c1cc(C)ccc1C)c1ccc(F)c(F)c1.,CC(=O)N(CCS(=O)(=O)c1cc(C)ccc1C)c1ccc(F)c(F)c1
LogP,Please modify the molecule COc1ccc(C[NH+](C)CC2CCCC2)cc1 to decrease its LogP value.,COc1ccc(C[NH+](C)CC2CCC(O)C2)cc1
MR,Please modify the molecule Cc1[nH]c(=O)ccc1-c1cccc(Cl)c1 to increase its MR value.,CC(=O)c1cccc(-c2ccc(=O)[nH]c2C)c1
QED,Please optimize the molecule C[NH+]=C(NCC(C)c1cccs1)N1CCC(C)C(n2ccnc2)C1 to have a higher QED value.,C[NH+]=C(CC(C)c1cccs1)N1CCC(C)C(n2ccnc2)C1
AtomNum,"The molecule is composed of 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc(C(C)N(C)C(=O)c2cccc(Cl)c2N)s1
BondNum,"The molecule is composed of 20 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCC(C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ketone group, and 1 halo group.",CC(=O)c1cnnn1-c1ccc(F)cc1
AddComponent,Please add a hydroxyl to the molecule Nc1nnc(NCCCc2ccccc2)o1.,Nc1nnc(NCC(O)Cc2ccccc2)o1
SubComponent,Modify the molecule COc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)C2c2ccccc2OC)c(OC)c1 by substituting a hydroxyl with a carboxyl.,COc1ccc(C2=C(C(=O)[OH])C(=O)N(c3cc(Cl)ccc3OC)C2c2ccccc2OC)c(OC)c1
DelComponent,Modify the molecule halo by removing a CC(Cc1c(F)cccc1Cl)N=O.,CC(Cc1ccccc1F)N=O
LogP,Modify the molecule CCCCCCCCCCCC(=O)OC(CC)CCOCC(CO)N=[N+]=[N-] to decrease its LogP value.,CCCCCCCCCCCC(=O)OC(CC)CCOCC(N=[N+]=[N-])C(O)O
MR,Modify the molecule COc1cc(Cl)c(C(=O)NC(=O)NCC2CC2)cc1OCc1ccccc1 to have a higher MR value.,CC(=O)c1cc(OC)c(OCc2ccccc2)cc1C(=O)NC(=O)NCC1CC1
QED,Please optimize the molecule CC(=O)CC=CC#CCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 to have a higher QED value.,CC(=O)CC=CC#CCC1CN(c2ccc(N3CCOCC3)c(O)c2)C(=O)O1
AtomNum,"The molecule consists of 15 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1c(OC(C)C)ccc(-c2cc(N)n(C)n2)c1C
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, and 9 rotatable bonds.",CCC[NH2+]C(C)(CCOC)CC(=O)OCC
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, and 3 halo groups.",CC([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(Cl)cc1
AddComponent,Modify the molecule CCc1cc(CC([NH3+])c2cccc(Cl)c2C)n(CC)n1 by adding a amine.,CCc1cc(CC([NH3+])c2cccc(Cl)c2C)n(C(C)N)n1
SubComponent,Substitute a halo in the molecule [NH3+]C(c1c[nH]c(F)c1)C1CC1 with a carboxyl.,[NH3+]C(c1c[nH]c(C(=O)[OH])c1)C1CC1
DelComponent,Modify the molecule benzene ring by removing a Cc1oc2cc(OCC(=O)c3ccc(-c4ccccc4)cc3)ccc2c(=O)c1-c1ccc(F)cc1.,Cc1oc2cc(OCC(=O)c3ccc(-c4ccccc4)cc3)ccc2c(=O)c1F
LogP,Please optimize the molecule CCCCCCSc1ccc(SCCCCCC)c(C#N)c1C#N to have a lower LogP value.,CCCCCCSc1ccc(SCC(N)CCCC)c(C#N)c1C#N
MR,Please optimize the molecule Cc1cc(F)ccc1-c1cc(C2=NC(C(=O)[O-])CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 to have a lower MR value.,Cc1cc(F)ccc1-c1cc(C2=NC(C(=O)[O-])CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)F)cc(C(F)(F)F)c1
QED,Modify the molecule O=C(NC1CC[NH2+]C1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1 to decrease its QED value.,O=C(NC1CC[NH2+]C1)c1ccc(F)c(NCc2cnc(Nc3cccc(-c4ccccc4)n3)s2)c1
AtomNum,"The molecule contains 24 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCC1CCC(CCCc2ncnc(Oc3cccnc3C)c2C)N1C(=O)NC(C)C
BondNum,"There is a molecule composed of 21 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCc1cccc(OCC(O)CN2C(=O)NC3(C2=O)C(C)CCCC3C)c1
FunctionalGroup,"Please generate a molecule composed of 1 ketone group, and 1 nitrile group.",Cc1cc(C(=O)C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)n1C1CC1
AddComponent,Please add a nitrile to the molecule CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CC[NH+](C)CC6)cccc5[nH]4)c3c2)c1.,CCCC(=O)Nc1cncc(-c2cc(C#N)c3[nH]nc(-c4cc5c(N6CC[NH+](C)CC6)cccc5[nH]4)c3c2)c1
SubComponent,Please substitute a halo in the molecule Cc1cccc(COc2ccc(C=NOCc3ccccc3C#N)cc2Br)c1 with a aldehyde.,CC(=O)c1cc(C=NOCc2ccccc2C#N)ccc1OCc1cccc(C)c1
DelComponent,Modify the molecule halo by removing a [NH3+]C(CNc1nc(-c2cccnc2)c(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1.,[NH3+]C(CNc1nc(-c2cccnc2)c(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)F)cc1
LogP,Please optimize the molecule CC(C[NH3+])CC1Cc2cccc(Cl)c2N1C to have a lower LogP value.,CC(C[NH3+])CC1Cc2ccccc2N1C
MR,Modify the molecule C[NH2+]C(CSC1CCCC1)c1c[nH+]ccc1N to have a higher MR value.,C[NH2+]C(CSC1CCCC1O)c1c[nH+]ccc1N
QED,Modify the molecule CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(CCS(C)(=O)=O)CC1 to increase its QED value.,CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)N(F)F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(CCS(C)(=O)=O)CC1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCCNc1ccc(S(=O)(=O)N2CCC(C)C2CO)cn1
BondNum,"The molecule has 17 single bonds, 3 double bonds, 4 rotatable bonds, and 14 aromatic bonds.",CC1=CCC(n2nc(C3CCC[NH2+]C3)cc2NC(=O)c2cn[nH]cccnc2C)C=C1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ester group, and 1 sulfide group.",C=CCNC(=O)N(CCCC)c1cccc(Sc2ccc(CC(=O)OCC)cc2)c1
AddComponent,Please add a hydroxyl to the molecule CCCC1(C(=O)Cc2cccc(OC)c2F)CC[NH2+]C1.,CCCC1(C(=O)Cc2cccc(OCO)c2F)CC[NH2+]C1
SubComponent,Modify the molecule hydroxyl by substituting a O=C1CCC(CSCCO)N1 with a nitrile.,N#CCCSCC1CCC(=O)N1
DelComponent,Remove a halo from the molecule COCC(NC(=O)c1cc(=O)nc(-c2ccsc2)[nH]1)c1ccc(OC(F)(F)F)c(F)c1.,COCC(NC(=O)c1cc(=O)nc(-c2ccsc2)[nH]1)c1ccc(OC(F)(F)F)cc1
LogP,Please modify the molecule Fc1ccc(OCC2C[NH2+]CCO2)c2c1CC=C2 to decrease its LogP value.,C1=Cc2c(cccc2OCC2C[NH2+]CCO2)C1
MR,Please modify the molecule C#CCN(Cc1ccc(C)cc1)C(=O)NC1CC[NH+](CC(=O)NC)CC1 to decrease its MR value.,C#CCN(Cc1ccc(C)cc1)C(=O)NC1CC[NH+](C)CC1
QED,Please modify the molecule CC(CC(C)C(F)(F)F)C(F)(F)F to decrease its QED value.,CC(CC(C)C(F)(F)F)C(F)F
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCOC(C#CC[NH+]1CCCCC1)OCC
BondNum,"Please generate a molecule composed of 8 single bonds, 3 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",COc1ccsc1C(=O)Nc1cc(S(N)(=O)=O)ccc1F
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ketone group, and 1 halo group.",CCc1ccc(C(=O)c2cc(Cl)ccc2C)cc1CC
AddComponent,Add a carboxyl to the molecule c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c6-c6ccccc6)c5)c4)nc4c3oc3ccccc34)c2)cc1.,O=C(O)c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1-c1cccc(-c2nc(-c3cccc(-c4ccccc4)c3)c3oc4ccccc4c3n2)c1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)(C)OC(=O)N1CC2CC2(c2ccc(N3CC(CO)OC3=O)cc2)C1 with a thiol.,CC(C)(C)OC(=O)N1CC2CC2(c2ccc(N3CC(CS)OC3=O)cc2)C1
DelComponent,Modify the molecule O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 by removing a halo.,O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1
LogP,Optimize the molecule CCCn1c(=O)c2ccc(C(=O)NC(C)CC)cc2n2c(=O)n(CC(=O)Nc3cccc(F)c3)nc12 to have a higher LogP value.,CCCn1c(=O)c2cc(-c3ccccc3)c(C(=O)NC(C)CC)cc2n2c(=O)n(CC(=O)Nc3cccc(F)c3)nc12
MR,Optimize the molecule COc1cc(-c2cc(-c3ccc(C(N)=O)cc3)cnc2N)cc(OC)c1OC to have a lower MR value.,COc1cc(-c2cncc(-c3ccc(C(N)=O)cc3)c2)cc(OC)c1OC
QED,Optimize the molecule CC[NH2+]CC1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])c4scc5n4c3c2OC5)C1 to have a higher QED value.,CC[NH2+]CC1CCN(c2ccc3c(=O)c(C(=O)[O-])c4scc5n4c3c2OC5)C1
AtomNum,"The molecule consists of 16 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1cccc(Cn2c(=O)c(C#N)c3n(c2=O)CCC3)c1
BondNum,"There is a molecule with 7 single bonds, 5 rotatable bonds, and 27 aromatic bonds.",Cc1[nH]nc(Nc2ccnc(Nc3cccc(-c4nc5ccccc5o4)c3)n2)c1C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 halo group.",C=CCN(CC=C)C(=O)OCCc1ccc(Br)cc1
AddComponent,Please add a hydroxyl to the molecule C#CC[NH+](Cc1nc(-c2ccc(OC)c(OC)c2)no1)C1CCc2ccccc21.,C#CC[NH+](Cc1nc(-c2cc(OC)c(OC)cc2O)no1)C1CCc2ccccc21
SubComponent,Substitute a halo in the molecule CCC(=O)Nc1ccc(F)c(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccc(F)cc4)c3C)CC2)c1 with a nitrile.,CCC(=O)Nc1ccc(C#N)c(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccc(F)cc4)c3C)CC2)c1
DelComponent,Please remove a hydroxyl from the molecule Oc1cccc([Se][Se]c2cccc(O)c2)c1.,Oc1cccc([Se][Se]c2ccccc2)c1
LogP,Modify the molecule CC(C)(C)c1ccccc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ncn1 to increase its LogP value.,CC(=O)c1cccc(NC(=O)c2cc(Nc3ccccc3C(C)(C)C)ncn2)c1
MR,Optimize the molecule CCn1nncc1C(C)Cl to have a lower MR value.,CCc1cnnn1CC
QED,Modify the molecule CC(=O)NCCCC[NH2+]CC1CCN(C(=O)[O-])CC1 to have a higher QED value.,CCCC[NH2+]CC1CCN(C(=O)[O-])CC1
AtomNum,"The molecule contains 11 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",C=CCNC(=S)NN=Cc1ccccc1O
BondNum,"The molecule contains 4 single bonds, 2 double bonds, 2 rotatable bonds, and 9 aromatic bonds.",O=C([O-])C=Cc1[nH]cnc2ncnc1-2
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 2 amine groups.",COc1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)cn1
AddComponent,Please add a benzene ring to the molecule C[NH+]1CCOC(c2noc(-c3cccc(O)c3)n2)C1.,C[NH+]1CCOC(c2noc(-c3cc(O)ccc3-c3ccccc3)n2)C1
SubComponent,Modify the molecule halo by substituting a CC1OCCC1(C)n1nnnc1-c1cc(N)ccc1Br with a nitrile.,CC1OCCC1(C)n1nnnc1-c1cc(N)ccc1C#N
DelComponent,Remove a CC1=C(C(=O)[O-])C(c2ccccc2[N+](=O)[O-])C(C(=O)[O-])=NN1 from the molecule benzene ring.,CC1=C(C(=O)[O-])C([N+](=O)[O-])C(C(=O)[O-])=NN1
LogP,Modify the molecule CC(=O)N1CCCC(C(=O)NCC(O)CS(=O)(=O)c2cccs2)C1 to decrease its LogP value.,CC(=O)N1CCCC(C(=O)NCC(O)CS(=O)(=O)c2cc(O)cs2)C1
MR,Please optimize the molecule COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)C2OC(n3ccc(=O)[nH]c3=O)C(NC(=O)C3(CCCCC(=O)[O-])SCC4NC(=O)NC43)C2O)cc1 to have a lower MR value.,COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)C2OC(n3ccc(=O)[nH]c3=O)C(C34NC(=O)NC3C[SH]4CCCCC(=O)[O-])C2O)cc1
QED,Please modify the molecule N#CC(C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 to decrease its QED value.,N#CC(C(=O)Nc1c(Cl)ccc(-c2ccccc2)c1Cl)c1ccccc1
AtomNum,"There is a molecule with 13 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 chlorine atoms.",O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cc(Cl)c(Cl)cc1Cl
BondNum,"Please generate a molecule composed of 17 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1CCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",C=CCNc1ccc(C(=O)Nc2cc(Cl)ccc2C)cn1
AddComponent,Add a hydroxyl to the molecule CC(O)C(=O)N(CCC([NH3+])CF)C(c1nc(-c2cc(Cl)ccc2F)nn1Cc1ccccc1)C(C)C.,CC(O)C(=O)N(CCC([NH3+])CF)C(c1nc(-c2cc(Cl)c(O)cc2F)nn1Cc1ccccc1)C(C)C
SubComponent,Modify the molecule halo by substituting a C#CC(Cc1nc2cc(F)ccc2o1)c1ccccn1 with a nitro.,C#CC(Cc1nc2cc(NO)ccc2o1)c1ccccn1
DelComponent,Modify the molecule amide by removing a C=CC[NH2+]CC(=O)N(C)Cc1cccc(OC)c1OC.,C=CC[NH2+]C(C)c1cccc(OC)c1OC
LogP,Please modify the molecule CN1C(=O)c2c(c3ccc(Cl)cc3n2CCC[NH+]2CCCCC2)Oc2ccccc21 to decrease its LogP value.,CN1C(=O)c2c(c3ccc(C#N)cc3n2CCC[NH+]2CCCCC2)Oc2ccccc21
MR,Modify the molecule CCCCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC to increase its MR value.,CCCCCCNC(=S)Nc1cc(OC)c(S)cc1OC
QED,Please optimize the molecule COc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(Cc2cscn2)C(=O)N3C)cc1 to have a lower QED value.,COc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(Cc2cscn2)C(=O)N3C)c(N)c1
AtomNum,"The molecule contains 20 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 2 chlorine atoms.",C=C(c1ccccc1)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
BondNum,"There is a molecule with 10 single bonds, 3 rotatable bonds, and 5 aromatic bonds.",Cn1nnnc1NC1CCCC1CO
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amine group.",CC[NH+]1CCN(c2ccnc(Nc3ccccc3C(C)C)n2)CC1
AddComponent,Modify the molecule CCC(NS(=O)(=O)c1cc(C)c(C[NH2+]C)s1)c1ncc[nH]1 by adding a aldehyde.,C[NH2+]Cc1sc(S(=O)(=O)NC(c2ncc[nH]2)C(C)CC=O)cc1C
SubComponent,Please substitute a O=C1NC(O)C(F)=CN1C1C=CC(CO)O1 in the molecule hydroxyl with a nitrile.,N#CC1NC(=O)N(C2C=CC(CO)O2)C=C1F
DelComponent,Modify the molecule hydroxyl by removing a O=C(CSc1nnc2n1CCCCC2)c1ccc(O)c(O)c1.,O=C(CSc1nnc2n1CCCCC2)c1ccc(O)cc1
LogP,Modify the molecule CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(CC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCC(=O)N(C)CCOCC[NH+](C)C)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C to have a lower LogP value.,CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(CC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCC(=O)N(C)CCOCC[NH+](C)C)C(NC=O)c3ccccc3)C(C)=C1C2(C)C
MR,Please optimize the molecule CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1)C(=O)OC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1 to have a higher MR value.,CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1)C(=O)OC1CC(C)(C)N(OC2CCCCC2)C(C)(CO)C1
QED,Please modify the molecule Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CCC(c2nnc3ccccn23)CC1 to decrease its QED value.,Cc1nn(-c2cc(Cl)c(Cl)cc2-c2ccccc2)c(C)c1CC(=O)N1CCC(c2nnc3ccccn23)CC1
AtomNum,"There is a molecule consisting of 9 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Nc1nc(N)n(C(=O)c2ccccc2)n1
BondNum,"There is a molecule composed of 18 single bonds, 5 rotatable bonds, and 22 aromatic bonds.",c1csc(C[NH+]2C3CCC2CC(C2c4ccccc4Oc4cc(Cc5nn[n-]n5)ccc42)C3)c1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 1 halo group.",COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2nc(-c3ccc(OC)c(OC)c3)no2)CC1
AddComponent,Modify the molecule CCCC1Cc2nc(N)nc(N3CC[NH+](C)CC3)c2CO1 by adding a aldehyde.,CC(CC=O)CC1Cc2nc(N)nc(N3CC[NH+](C)CC3)c2CO1
SubComponent,Substitute a halo in the molecule CC(Cn1ccnc1)NC(=O)C(C)(C)CCl with a nitro.,CC(Cn1ccnc1)NC(=O)C(C)(C)CNO
DelComponent,Remove a COC1CCC(C2CCN(C(=O)C3CCC(C(CF)NC(=O)OC(C)(C)C)CC3)C2C(=O)Nc2ccc3oc(C(=O)OCC4CCC4)cc3c2)CC1 from the molecule halo.,COC1CCC(C2CCN(C(=O)C3CCC(C(C)NC(=O)OC(C)(C)C)CC3)C2C(=O)Nc2ccc3oc(C(=O)OCC4CCC4)cc3c2)CC1
LogP,Modify the molecule Cc1ccc(NC(=O)C[NH+](C)CCCO)c(Cl)c1 to have a lower LogP value.,Cc1cc(Cl)c(NC(=O)C[NH+](C)CCCO)cc1C#N
MR,Modify the molecule C[NH2+]C(CC1CCCCO1)c1cc(Cl)ccc1OC to have a lower MR value.,C[NH2+]C(Cl)(CC1CCCCO1)OC
QED,Modify the molecule Cc1cc(C)c(C(=O)OCC(=O)NCC(=O)N(C)C)c(Cl)n1 to have a higher QED value.,CCNC(=O)COC(=O)c1c(C)cc(C)nc1Cl
AtomNum,"The molecule has 14 carbon atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCc1nnc(C)cc1-c1[nH]nc(N)c1-c1cccs1
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 8 rotatable bonds, and 6 aromatic bonds.",CCOCCOCc1cc(C(N)=[NH+]O)ccc1OC
FunctionalGroup,There is a molecule with and 3 amine groups.,[NH3+]NC(N[NH3+])Nc1ncncn1
AddComponent,Add a hydroxyl to the molecule Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(Br)cn3)nc21.,Cn1c2nc(SCC(=O)Nc3ccc(Br)cn3)nnc2c2cccc(O)c21
SubComponent,Substitute a halo in the molecule Cc1c(Cl)cc(C(=O)N2CCC3(CC2)CNC(=O)O3)cc1Cl with a thiol.,Cc1c(S)cc(C(=O)N2CCC3(CC2)CNC(=O)O3)cc1Cl
DelComponent,Modify the molecule COC(=O)c1cc(NCc2nccs2)ccc1Cl by removing a halo.,COC(=O)c1cccc(NCc2nccs2)c1
LogP,Optimize the molecule O=Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 to have a lower LogP value.,O=Cc1ccc(C(=O)Nc2ccc(S)cc2)cc1
MR,Please modify the molecule O=C(CCc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)nc1 to increase its MR value.,O=C(CCc1ccc(S)cc1)Nc1ccc(N2CCCC2)nc1
QED,Please modify the molecule CC(C)[NH2+]CCNCCC(C)(C)C to decrease its QED value.,CC(C)[NH2+]CCNCC(O)C(C)(C)C
AtomNum,"The molecule has 20 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 4 fluorine atoms.",CC(C)(CNC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1F
BondNum,"Please generate a molecule with 17 single bonds, 3 double bonds, and 2 rotatable bonds.",CC1C(C(=O)N2CCCN(S(C)(=O)=O)CC2)C1(F)F
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, 1 ketone group, and 1 amide group.",COc1ccc2c(c1)N(CCC(C)O)C(=O)C2=O
AddComponent,Modify the molecule c1ccc(CC2=NN(COCN3COC(Cc4ccccc4)=N3)CO2)cc1 by adding a hydroxyl.,OC(C1=NN(COCN2COC(Cc3ccccc3)=N2)CO1)c1ccccc1
SubComponent,Substitute a N#Cc1ccccc1COc1c(F)cc(CO)cc1F in the molecule nitrile with a aldehyde.,CC(=O)c1ccccc1COc1c(F)cc(CO)cc1F
DelComponent,Modify the molecule amine by removing a O=CC=CC=CNC(=CC(=O)c1cccs1)c1ccccc1.,O=CC=CC=CC(=CC(=O)c1cccs1)c1ccccc1
LogP,Modify the molecule O=[N+]([O-])c1ccc(-c2nc3sccn3c2C[NH+]2CCCCC2)o1 to decrease its LogP value.,O=[SH]c1ccc(-c2nc3sccn3c2C[NH+]2CCCCC2)o1
MR,Modify the molecule O=C(CC1CC2(CC[NH+](Cc3ccccn3)CC2)Oc2ccccc21)NCC1CC1 to have a lower MR value.,c1ccc(C[NH+]2CCC3(CC2)CC(CC2CC2)c2ccccc2O3)nc1
QED,Please modify the molecule COc1cc(C)c(Cl)cc1C[NH2+]CC1(CO)CC1 to decrease its QED value.,COc1cc(C)c(Cl)cc1C[NH2+]CC1(C(O)c2ccccc2)CC1
AtomNum,"Please generate a molecule with 22 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CN(Cc1ccsc1)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
BondNum,"The molecule contains 19 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",O=C(Cn1nc(C(F)(F)F)c2c1CCCCC2)Nc1ccc(F)cc1OC(F)F
FunctionalGroup,"The molecule contains 1 amide group, and 2 amine groups.",CCNC(=[NH+]CC(=O)NC(C)(C)C)N1CCN(C(=O)OCC)CC1
AddComponent,Please add a benzene ring to the molecule Cc1nc(NCC(F)(F)F)nc(NC2CC(CO)C(C)C2C)c1-c1nc2cc(N)ccc2s1.,Cc1nc(NCC(F)(F)F)nc(NC2CC(CO)C(C)C2C)c1-c1nc2c(-c3ccccc3)c(N)ccc2s1
SubComponent,Substitute a CCN(CC(F)(F)F)C(=O)Nc1ccc(CC(=O)[O-])cc1 in the molecule halo with a thiol.,CCN(CC(F)(F)S)C(=O)Nc1ccc(CC(=O)[O-])cc1
DelComponent,Remove a nitrile from the molecule CC(=O)C(C(C)=O)C1C(C)=C(c2ccccc2)C(C#N)C(=N)N1[NH3+].,CC(=O)C(C(C)=O)C1C(C)=C(c2ccccc2)CC(=N)N1[NH3+]
LogP,Modify the molecule CCC(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)C1c1ccccc1 to decrease its LogP value.,CCC(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)C1c1cccc(O)c1
MR,Optimize the molecule CN(c1ccc(S(C)(=O)=O)cc1F)C1C[NH2+]C1 to have a higher MR value.,CN(c1ccc(S(C)(=O)=O)cc1NO)C1C[NH2+]C1
QED,Modify the molecule Nc1ccc(SCC2COc3ccccc32)nc1 to decrease its QED value.,c1ccc(SCC2COc3ccccc32)nc1
AtomNum,"The molecule has 11 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC(C)n1ncc(O)c1C1CCCC1
BondNum,"Please generate a molecule with 15 single bonds, 2 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",Cc1cn(CCC[NH+]=C(C[N+](=O)[O-])Nc2ccc3c(c2)OCCO3)cn1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ester group, and 1 amide group.",CCOC(=O)COc1ccc(NC(=O)c2ccc(N3CC[NH2+]CC3)cc2)cc1
AddComponent,Add a hydroxyl to the molecule CNc1c(C(C)=O)c[nH+]c2[nH]ccc12.,CNc1c(C(=O)CO)c[nH+]c2[nH]ccc12
SubComponent,Modify the molecule CC(=O)NC(C(=O)[O-])c1ccc(F)cc1F by substituting a halo with a nitro.,CC(=O)NC(C(=O)[O-])c1ccc(NO)cc1F
DelComponent,Modify the molecule amide by removing a CC(C)CC(=O)N1CCC(C2CC[NH2+]CC2)C1.,CC1(C)CCC(C2CC[NH2+]CC2)C1
LogP,Modify the molecule O=CN(O)CC(CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccccc1 to increase its LogP value.,O=CN(S)CC(CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccccc1
MR,Optimize the molecule CCC1CCC2C(C1C=Cc1ccc(-c3ccccc3C#N)cn1)C(C)N(C(=O)OC(C)(C)C)S2(=O)=O to have a lower MR value.,CCC1CCC2C(C1C=Cc1ccc(C#N)cn1)C(C)N(C(=O)OC(C)(C)C)S2(=O)=O
QED,Please optimize the molecule Cc1cc(C(=O)NNC(=O)c2ccccc2CSc2ncn[nH]2)c(C)n1-c1ccccc1 to have a lower QED value.,Cc1cc(C(=O)NNC(=O)c2ccccc2CSc2ncn[nH]2)c(C)n1-c1ccc(O)cc1
AtomNum,"There is a molecule composed of 15 carbon atoms, 1 nitrogen atom, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",CCC[NH2+]C(C)c1ccc(-c2ccc(F)cc2Cl)s1
BondNum,"The molecule consists of 23 single bonds, 4 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",C=CCNC(=O)C[NH+]1CCN(C(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 1 nitro group.",[NH3+]Cc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)o1
AddComponent,Add a nitrile to the molecule O=C([O-])N1CCc2ccc(OCC3CC[NH2+]CC3)cc2C1.,N#CC1(COc2ccc3c(c2)CN(C(=O)[O-])CC3)CC[NH2+]CC1
SubComponent,Substitute a halo in the molecule Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCCC1C[NH+]1CCCC1 with a thiol.,Cc1cc(NC(=O)c2ccccc2S)sc1C(=O)N1CCCC1C[NH+]1CCCC1
DelComponent,Remove a CC(C)CCNC(=O)c1cc(C(=O)Nc2cccc(Br)c2)ccn1 from the molecule benzene ring.,CC(C)CCNC(=O)c1cc(C(=O)NBr)ccn1
LogP,Optimize the molecule N#CC1CCCC1NC(=O)N1CCC(Nc2cccnn2)CC1 to have a lower LogP value.,N#CC1CCCC1NC(=O)N1CCC(Nc2cccnn2)(C(=O)O)CC1
MR,Modify the molecule CNC(=O)C1CCCN1c1ccc(C)cc1C=O to decrease its MR value.,CNC(=O)C1CCCN1C(C)=O
QED,Optimize the molecule CCC(=O)C1C[NH+](C)CCN1NCCO to have a higher QED value.,CCC(=O)C1C[NH+](C)CCN1NCCS
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1nc(-c2cccc3c2ccn3C)no1
BondNum,"The molecule contains 12 single bonds, 2 double bonds, 7 rotatable bonds, and 22 aromatic bonds.",CC(=O)c1c(C)[nH]c(C(=O)C(C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)c1C
FunctionalGroup,"Please generate a molecule composed of 1 amide group, and 1 halo group.",CC(C)C(Br)C(=O)N1CCc2[nH]c3ccccc3c2C1
AddComponent,Add a benzene ring to the molecule O=C([O-])C1(c2ccccc2O)CCCC[NH2+]1.,O=C([O-])C1(c2c(O)cccc2-c2ccccc2)CCCC[NH2+]1
SubComponent,Substitute a halo in the molecule O=C(Cc1ccc(OCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cc1F)N1CCc2cn[nH]c2C1 with a nitro.,ONc1cnc(N2CCC(C3CC3CCOc3ccc(CC(=O)N4CCc5cn[nH]c5C4)c(F)c3)CC2)nc1
DelComponent,Remove a hydroxyl from the molecule O=C([O-])c1cccc2c1C(=NO)CC2.,N=C1CCc2cccc(C(=O)[O-])c21
LogP,Modify the molecule Cc1c(-c2noc(-c3cnc(OC(C(F)(F)F)C(F)(F)F)c(Cl)c3)n2)ccc2c1CCC2CC(=O)[O-] to have a lower LogP value.,Cc1c(-c2noc(-c3cnc(OC(C(F)(F)F)C(F)(F)F)c(Cl)c3C(=O)O)n2)ccc2c1CCC2CC(=O)[O-]
MR,Please optimize the molecule Cc1nc(CC(C[NH3+])(CC2CC2)C(=O)[O-])sc1C to have a higher MR value.,Cc1nc(CC(C[NH3+])(CC2CC2O)C(=O)[O-])sc1C
QED,Please modify the molecule CC(C)COCCNS(=O)(=O)N(C)CCC[NH3+] to increase its QED value.,CC(C)COCCS(=O)(=O)N(C)CCC[NH3+]
AtomNum,"There is a molecule consisting of 23 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",CCOC(=O)N1CC2(CC2)CC(C(=O)NO)C1C(=O)C1CC(c2ccccc2)=CC[NH2+]1
BondNum,"There is a molecule composed of 3 single bonds, and 10 aromatic bonds.",Cc1cc(I)c2ccsc2c1C
FunctionalGroup,"The molecule consists of 2 amine groups, 1 thioether group, and 1 sulfide group.",C1CC2CSC(NC34CC5CC(CC(C5)C3)C4)=[NH+]C2C1
AddComponent,Add a hydroxyl to the molecule CCc1cc(CC(C)(C)C[NH2+]C)n(CC)n1.,CCn1nc(C(C)O)cc1CC(C)(C)C[NH2+]C
SubComponent,Substitute a hydroxyl in the molecule CC(C=CC=C(C)CCC12OC1(C)CC(O)CC2(C)C)=CC=CC=C(C)CCC=C(C)CCC12OC1(C)CC(O)CC2(C)C with a nitro.,CC(C=CC=C(C)CCC12OC1(C)CC(NO)CC2(C)C)=CC=CC=C(C)CCC=C(C)CCC12OC1(C)CC(O)CC2(C)C
DelComponent,Remove a benzene ring from the molecule COc1ccc(NCC(O)c2ccc(F)cc2)cc1OC.,COc1ccc(NCC(O)F)cc1OC
LogP,Optimize the molecule CCCCCCC(C)OC1CCC([NH2+]CC)(C(N)=O)C1 to have a higher LogP value.,CCCCCCC(C)OC1CC([NH2+]CC)C1
MR,Optimize the molecule COc1cccc(CSc2nnc(CNc3ccccc3C)n2-c2ccccc2)c1 to have a lower MR value.,COc1cccc(CSc2nnc(Cc3ccccc3C)n2-c2ccccc2)c1
QED,Please optimize the molecule CC1CC(C(O)c2ccc3[nH]c4ccccc4c3c2)CO1 to have a lower QED value.,CC1CC(Cc2ccc3[nH]c4ccccc4c3c2)CO1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCCOCCC(Cc1ccccc1)NN
BondNum,"The molecule consists of 16 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",Cc1ccc(-c2cc(C(C)(C)C)c3oc(C(=O)N4CC[NH2+]CC4(C)C)cc3n2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 sulfone group.",CCOc1ccc(NC(=O)CS(=O)(=O)Cc2cc(=O)c(OCC(C)C)c[nH]2)cc1
AddComponent,Please add a amine to the molecule CCC12CCC3(CC1C(=NOC)CC1C2CCC2(C)C1CCC21OCCO1)OCCO3.,CCC12CCC3(CC1(N)C(=NOC)CC1C4CCC5(OCCO5)C4(C)CCC12)OCCO3
SubComponent,Please substitute a Cc1cc(C(=O)Nc2cccc(F)c2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2c(C)cccc2C(=O)NC(C)C)CC1 in the molecule halo with a thiol.,Cc1cc(C(=O)Nc2cccc(S)c2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2c(C)cccc2C(=O)NC(C)C)CC1
DelComponent,Modify the molecule Cc1cc(C)cc(NC(=O)C[NH+]2CCN(Cc3nc(-c4cccs4)cs3)CC2)c1 by removing a benzene ring.,CCNC(=O)C[NH+]1CCN(Cc2nc(-c3cccs3)cs2)CC1
LogP,Please modify the molecule CCOC(=O)CC(C(=O)OCC)C(=S)N(S)c1ccccc1 to decrease its LogP value.,CCOC(=O)CC(C(=O)OCC)C(=S)NS
MR,Please modify the molecule N#Cc1ccc(NC(=O)N2CC3CCC2C[NH2+]3)cc1 to decrease its MR value.,O=C(Nc1ccccc1)N1CC2CCC1C[NH2+]2
QED,Please optimize the molecule COc1ccc2[nH]cc(CC=Cc3ccccc3)c2c1 to have a lower QED value.,C=CCc1c[nH]c2ccc(OC)cc12
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 1 oxygen atom, and 1 sulfur atom.",CC(=O)c1ccc2c(c1)SCCCC2
BondNum,"Please generate a molecule composed of 17 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",CN(c1cccnn1)C1CCC2CN(C(=O)CCc3ccnn3C)CC21
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",CCOc1cc(C(=O)N(CC)CCC(=O)[O-])ccc1OCc1cccnc1
AddComponent,Modify the molecule CC1C[NH+]2CC(C)O[Si](I)(O1)OC(C)C2 by adding a hydroxyl.,CC1C[NH+]2CC(C)O[Si](I)(O1)OC(C)(O)C2
SubComponent,Substitute a halo in the molecule CC1Oc2ccc(-c3cn4cc(F)ccc4[nH+]3)cc2N(C)C1=O with a thiol.,CC1Oc2ccc(-c3cn4cc(S)ccc4[nH+]3)cc2N(C)C1=O
DelComponent,Modify the molecule hydroxyl by removing a CCCCCCCCCCCCCCCCNc1ccc(C(O)C(=O)[O-])cc1.,CCCCCCCCCCCCCCCCNc1ccc(CC(=O)[O-])cc1
LogP,Modify the molecule CCC[NH2+]C(CSC1CCCC1)Cc1ccc(F)cc1F to have a lower LogP value.,CCC[NH2+]C(CSC1CCCC1)Cc1ccc(C#N)cc1F
MR,Modify the molecule CC(C)Oc1cccc(N2CCc3cc(CCC(=O)[O-])ccc3C2)c1 to have a lower MR value.,CC(C)ON1CCc2cc(CCC(=O)[O-])ccc2C1
QED,Modify the molecule COC(=O)c1nc(C(=O)OC)c(C(=O)OC)[nH]1 to have a lower QED value.,COC(=O)c1nc(C(=O)OCO)c(C(=O)OC)[nH]1
AtomNum,"The molecule consists of 11 carbon atoms, and 1 oxygen atom.",OC1=CCC(=C2C=CC=C2)C=C1
BondNum,"The molecule is composed of 15 single bonds, 1 double bond, 6 rotatable bonds, and 5 aromatic bonds.",CCN(CC1CCC1)C(=O)c1sc(NC(C)C)nc1N
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 nitro group.",Cc1c(C[NH2+]CC(C)(C)C(N)=O)cccc1[N+](=O)[O-]
AddComponent,Modify the molecule CC(Nc1nnc(C[NH2+]C2CC2)o1)c1ccsc1 by adding a hydroxyl.,CC(O)(Nc1nnc(C[NH2+]C2CC2)o1)c1ccsc1
SubComponent,Please substitute a halo in the molecule N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(F)cc1Br with a nitrile.,N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(C#N)cc1Br
DelComponent,Please remove a hydroxyl from the molecule OCc1c(-c2cc(Br)cnc2Cl)nc2ccccn12.,Cc1c(-c2cc(Br)cnc2Cl)nc2ccccn12
LogP,Modify the molecule CC(C)(CO)CNc1[nH]cnc(=O)c1Br to have a lower LogP value.,CC(C)(CO)CNc1[nH]cnc(=O)c1C#N
MR,Modify the molecule CC(C)Oc1cccc(CC2(O)CC2)c1 to increase its MR value.,CC(C)Oc1cccc(C(O)C2(O)CC2)c1
QED,Optimize the molecule COc1ccc(NCc2cccc3cc[nH]c23)cc1F to have a higher QED value.,COc1ccc(Cc2cccc3cc[nH]c23)cc1F
AtomNum,"There is a molecule consisting of 13 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CN(C(=O)c1c[nH]ccc1=O)c1ccc(N)cc1
BondNum,"The molecule consists of 14 single bonds, 3 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",CCCCCCCCN(C(=O)[O-])c1ccc(S(=O)(=O)CC)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, 3 halo groups, and 1 sulfide group.",Clc1cccc(Cl)c1CNc1c(Cl)ccc2scnc12
AddComponent,Please add a carboxyl to the molecule O=C([O-])c1cccc(-c2cnn(-c3cccc(OC(F)(F)F)c3)c2)c1.,O=C([O-])c1cccc(-c2cnn(-c3cc(OC(F)(F)F)ccc3C(=O)O)c2)c1
SubComponent,Please substitute a halo in the molecule CCC(CC)(CBr)CNC(=O)Cc1ccccc1 with a nitrile.,CCC(CC)(CC#N)CNC(=O)Cc1ccccc1
DelComponent,Please remove a CC(=O)N1CCCC2N(C(=O)COc3c(C)cccc3C)CCCC21C from the molecule benzene ring.,CCOCC(=O)N1CCCC2(C)C1CCCN2C(C)=O
LogP,Modify the molecule Cc1cccc(CN(C)S(=O)(=O)c2ccc(C(N)=S)s2)c1 to have a higher LogP value.,Cc1cccc(CN(C)S(=O)(=O)c2ccc(C=S)s2)c1
MR,Please modify the molecule CCCCCCOc1cccc(OCCCCCC)c1CCC to decrease its MR value.,CCCCCCOC(CC)OCCCCCC
QED,Please optimize the molecule CC(CC[NH3+])SCc1cc(Cl)ccc1F to have a lower QED value.,CC(CC[NH3+])(SCc1cc(Cl)ccc1F)c1ccccc1
AtomNum,"Please generate a molecule with 25 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCCC(C(=O)N4CCOCC4)C3)c2c1C
BondNum,"Please generate a molecule with 21 single bonds, 4 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)C(=O)NC1CCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C1
FunctionalGroup,There is a molecule composed of and 1 amide group.,CCc1nn(C)cc1NC(=O)CC([NH3+])CC(C)(C)C
AddComponent,Modify the molecule c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1 by adding a hydroxyl.,Oc1cc2c3ccccc3c3ccccc3c2cc1N(c1ccccc1)c1ccc2c3ccccc3n(-c3ccccc3)c2c1
SubComponent,Substitute a halo in the molecule O=C(CCc1ccc(Cl)cc1Cl)CCc1ccc(Cl)cc1Cl with a nitro.,ONc1ccc(CCC(=O)CCc2ccc(Cl)cc2Cl)c(Cl)c1
DelComponent,Modify the molecule COc1ccc(CNC(=O)c2cscn2)cc1S(=O)(=O)Cl by removing a benzene ring.,COC(NC(=O)c1cscn1)S(=O)(=O)Cl
LogP,Modify the molecule CC(C)(CBr)C[NH+]1CCCC(O)C1 to have a lower LogP value.,CC(C)(CS)C[NH+]1CCCC(O)C1
MR,Please optimize the molecule CC(O)c1cccc(COCCO)c1 to have a lower MR value.,CC(O)COCCO
QED,Modify the molecule NC(=O)OS(=O)(=O)c1c(F)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2[nH]cnc12 to have a higher QED value.,NC(=O)OS(=O)(=O)c1ccc(-c2ccc3c(c2)ncn3C2CCCCC2)c2[nH]cnc12
AtomNum,"The molecule contains 28 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1cccc(COc2ncn(-c3cc(-c4ccnc(C(C)(C)C)n4)ccc3C)c(=O)c2C)c1
BondNum,"Please generate a molecule with 12 single bonds, 2 double bonds, 4 rotatable bonds, and 17 aromatic bonds.",O=C(C=Cc1ccc(Cl)cc1)Nc1ccc2nc(N3CCCCC3)ccc2c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 3 amine groups, and 1 sulfone group.",C[NH+]=C(NCCS(=O)(=O)c1ccccc1)NCC1(CC(C)C)CCC1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(C[NH+]=C(N)Nc2ccc(Br)nc2)cc1.,COc1ccc(C[NH+]=C(N)Nc2ccc(Br)nc2)cc1O
SubComponent,Substitute a halo in the molecule [NH3+]C1CCN(C(=O)c2cn3c4c(c(NCC[NH+]5CCCC5)c(F)cc4c2=O)Oc2ccccc2-3)C1 with a nitro.,[NH3+]C1CCN(C(=O)c2cn3c4c(c(NCC[NH+]5CCCC5)c(NO)cc4c2=O)Oc2ccccc2-3)C1
DelComponent,Please remove a nitrile from the molecule CC[NH+](CC)C1CC(C#N)Nc2ccccc21.,CC[NH+](CC)C1CCNc2ccccc21
LogP,Modify the molecule CCOCC(O)CSCC(C)C(=O)OC to have a lower LogP value.,CCOCC(O)(O)CSCC(C)C(=O)OC
MR,Optimize the molecule COc1ccc(C2Oc3cc(O)c(O)c([O-])c3C(=O)C2OC)cc1O to have a higher MR value.,COC1C(=O)c2c(cc(O)c(O)c2[O-])OC1c1ccc(OCO)c(O)c1
QED,Please optimize the molecule Cc1cc(C[NH3+])c2cccc(F)c2n1 to have a lower QED value.,Cc1cc(C[NH3+])c2ccccc2n1
AtomNum,"There is a molecule with 20 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 3 fluorine atoms.",Cc1cc(F)ccc1-c1cccc(N(Cc2c(F)cccc2F)C(N)=O)n1
BondNum,"The molecule is composed of 10 single bonds, 2 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",COc1ccc([N+](=O)[O-])cc1OCc1ccc(C(=O)Nc2ccccc2)cc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 halo group, and 1 sulfone group.",Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(Cl)cc3)CC2)cc1
AddComponent,Add a benzene ring to the molecule O=C(COC(=O)CC1CCCCC1)Nc1c(Br)cc([N+](=O)[O-])cc1Br.,O=C(CC1CCCCC1)OC(C(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br)c1ccccc1
SubComponent,Substitute a CC(=O)NCCCS(=O)(=O)OCC(C)(C)C(O)(Cc1ccccc1)C(=O)[O-] in the molecule hydroxyl with a aldehyde.,CC(=O)C(Cc1ccccc1)(C(=O)[O-])C(C)(C)COS(=O)(=O)CCCNC(C)=O
DelComponent,Modify the molecule amine by removing a CC1=CC2(Nc3cc(Cl)ccc3O2)C(C#N)=C([NH3+])O1.,CC1=CC2(Oc3ccc(Cl)cc32)C(C#N)=C([NH3+])O1
LogP,Please optimize the molecule CC(C)CCC(C)[NH2+]CCN1CCSCC1S(C)(=O)=O to have a lower LogP value.,CC(C)CCC(C)[NH2+]CCN1CC(O)SCC1S(C)(=O)=O
MR,Modify the molecule CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)C2c2ccc(OC(C)C)c(OCC)c2)c1 to increase its MR value.,CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)C2(O)c2ccc(OC(C)C)c(OCC)c2)c1
QED,Modify the molecule O=C([O-])CNc1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2ccccc2F)n1 to decrease its QED value.,O=C([O-])Cc1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2ccccc2F)n1
AtomNum,"There is a molecule composed of 13 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCC(CC)NS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1
BondNum,"The molecule is composed of 12 single bonds, and 5 rotatable bonds.",C[NH+](CCCCl)CC1CCCC1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CC[NH+](CCCO)CCCC(=O)Nc1cccc(C)c1
AddComponent,Add a hydroxyl to the molecule Cc1nc(CN(C)c2ccc(N)cc2)cs1.,Cc1nc(C(O)N(C)c2ccc(N)cc2)cs1
SubComponent,Please substitute a halo in the molecule CC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc([O-])c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 with a carboxyl.,CC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc([O-])c(C(F)(F)C(=O)[OH])c4)ccc3C)cnc2[nH]1
DelComponent,Remove a nitrile from the molecule CC1CCc2c(sc(NC(=O)COC(=O)C=Cc3cccc(F)c3)c2C#N)C1.,CC1CCc2cc(NC(=O)COC(=O)C=Cc3cccc(F)c3)sc2C1
LogP,Please modify the molecule CCCCOc1ccc(C=CC(=O)Nc2ccc(C)cc2O)cc1OC to increase its LogP value.,CC(=O)c1cc(C)ccc1NC(=O)C=Cc1ccc(OCCCC)c(OC)c1
MR,Modify the molecule COc1ccc(OCCN2C(=O)C(Cl)=C(c3ccc(NC(C)=O)cc3)C2=O)cc1 to increase its MR value.,COc1ccc(OCCN2C(=O)C(S)=C(c3ccc(NC(C)=O)cc3)C2=O)cc1
QED,Modify the molecule CCC(C)[NH+]1CCN(CCCCC[NH3+])CC1 to have a lower QED value.,CC(CCO)[NH+]1CCN(CCCCC[NH3+])CC1
AtomNum,"There is a molecule with 19 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 3 fluorine atoms.",C[NH+](C)CC(=O)N1CCC(c2ccnc(Nc3ncccc3C(F)(F)F)n2)CC1
BondNum,"The molecule consists of 10 single bonds, 3 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CC(C)c1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1
FunctionalGroup,The molecule is composed of and 3 benzene ring groups.,C=C(C)c1c(C)cc(OCc2ccccc2)cc1OCc1ccccc1
AddComponent,Add a hydroxyl to the molecule CC(C)(C)NC(N)=[NH+]CCn1cccn1.,CC(C)(CO)NC(N)=[NH+]CCn1cccn1
SubComponent,Please substitute a halo in the molecule CCOC1CCC(c2ccc(-c3ccc(OC)c(F)c3)c(F)c2F)OC1 with a carboxyl.,CCOC1CCC(c2ccc(-c3ccc(OC)c(C(=O)[OH])c3)c(F)c2F)OC1
DelComponent,Remove a amine from the molecule CCOC(=O)c1cc(-c2ccc3c(c2)OCCO3)[nH]c1N.,CCOC(=O)c1c[nH]c(-c2ccc3c(c2)OCCO3)c1
LogP,Please optimize the molecule COc1ccc(Br)cc1NC1C=CCCCCC1 to have a lower LogP value.,COc1ccc(Br)cc1NC1C=C(O)CCCCC1
MR,Optimize the molecule CC1CC(C)CC(C(O)Cc2ccsc2)C1 to have a lower MR value.,CC1CC(C)CC(CCc2ccsc2)C1
QED,Modify the molecule O=CN1CCN(c2nc(Cl)nc3c2SCCC3)CC1 to increase its QED value.,O=CN1CCN(c2ncnc3c2SCCC3)CC1
AtomNum,"The molecule has 15 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",O=C(Nc1ccc2[nH]ncc2c1)c1cccn2ccnc12
BondNum,"Please generate a molecule with 16 single bonds, 1 double bond, 7 rotatable bonds, and 10 aromatic bonds.",CCNC(NCCc1csc(N2CCCC2)n1)=[NH+]Cc1sccc1C
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 2 amide groups, 1 nitro group, and 2 halo groups.",Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1
AddComponent,Please add a hydroxyl to the molecule CCOC1CC([NH3+])(C(=O)NCc2cccc(Cn3cccn3)c2)C1(C)C.,CCOC1CC([NH3+])(C(=O)NCc2cccc(Cn3cc(O)cn3)c2)C1(C)C
SubComponent,Substitute a halo in the molecule CCCCN(C)c1ccc(Cl)cc1C[NH2+]CC(C)C with a nitro.,CCCCN(C)c1ccc(NO)cc1C[NH2+]CC(C)C
DelComponent,Please remove a C[NH+]=C(NCCc1ccco1)NCc1ccc2c(c1)CCCN2C from the molecule amine.,CC(NCCc1ccco1)NCc1ccc2c(c1)CCCN2C
LogP,Please optimize the molecule C[NH+](C)CCOC1CCC(Nc2cc(-n3c4c(c5c3CC(C)(C)CC5=O)CCC4)cc(F)c2C(N)=O)CC1 to have a higher LogP value.,C[NH+](C)C(COC1CCC(Nc2cc(-n3c4c(c5c3CC(C)(C)CC5=O)CCC4)cc(F)c2C(N)=O)CC1)c1ccccc1
MR,Modify the molecule Cc1ccc(OCC(=O)NC2CCCCCC2O)cc1C to increase its MR value.,Cc1ccc(OCC(=O)NC2CCCCCC2C(=O)[OH])cc1C
QED,Optimize the molecule CC1CCN(c2ccc(N3C(=O)C(=O)C(=C([O-])c4cccc5ccccc45)C3c3ccccc3)cc2)CC1 to have a higher QED value.,CC1CCN(c2ccc(N3CC(=C([O-])c4cccc5ccccc45)C(=O)C3=O)cc2)CC1
AtomNum,"The molecule is composed of 24 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1cccc(-c2cc(Oc3ccccc3)ccc2COC2CN(C#N)C2)c1
BondNum,"Please generate a molecule with 17 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)C1CN(Cc2ccccn2)C2(CCCCC2)C[NH2+]1
FunctionalGroup,"The molecule has 2 benzene ring groups, and 1 hydroxyl group.",OC(c1ccc(C2CC2)cc1)C1CC1c1ccccc1
AddComponent,Modify the molecule Cn1cc(CC(=O)c2ccccc2)c2cc(Cl)ccc21 by adding a benzene ring.,Cn1cc(CC(=O)c2ccc(-c3ccccc3)cc2)c2cc(Cl)ccc21
SubComponent,Please substitute a COc1ccc2c(c1)C([NH3+])(c1cccc(Cl)c1)CC2 in the molecule halo with a nitro.,COc1ccc2c(c1)C([NH3+])(c1cccc(NO)c1)CC2
DelComponent,Remove a CC(C)C12C(=C(c3ccccc3)c3ccccc31)CC(C(=O)c1ccccc1)C2(C)C from the molecule benzene ring.,CC(C)C12C(=C(c3ccccc3)c3ccccc31)CC(C=O)C2(C)C
LogP,Optimize the molecule CCCCOC(=O)c1ccc(NC(=S)Nc2cccc(F)c2C)cc1 to have a lower LogP value.,CCCCOC(=O)c1ccc(NC(=S)N(C)F)cc1
MR,Please optimize the molecule CC(C)(c1cccnc1)N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2C1=O to have a higher MR value.,CC(C)(c1cccnc1)N1C(=O)c2c(S)ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2C1=O
QED,Modify the molecule CNC(=O)c1ccc(OC)c(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3C)CC2)c1 to have a higher QED value.,CNC(=O)c1ccc(OC)c(CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3C)CC2)c1
AtomNum,"There is a molecule composed of 14 carbon atoms, and 7 nitrogen atoms.",N#CCc1ccc(Nc2nc(NN)cn3ccnc23)cc1
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",COc1ccc(N=C2CCC(F)CC2)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfone group.",CCC(=C1C2=C(C=C(C)CC2)CCc2cc(F)ccc21)c1cccc(NS(C)(=O)=O)c1
AddComponent,Modify the molecule COc1ccc(C=CC(=O)c2ccc(N(C)C)cc2)cc1 by adding a nitrile.,COc1ccc(C=CC(=O)c2ccc(N(C)C)cc2)c(C#N)c1
SubComponent,Please substitute a halo in the molecule CCCCCc1nc(-c2ccc(Cl)cc2)cc(=O)n1CC(=O)N(C)Cc1ccccc1 with a nitrile.,CCCCCc1nc(-c2ccc(C#N)cc2)cc(=O)n1CC(=O)N(C)Cc1ccccc1
DelComponent,Please remove a CC(C)n1nccc1NC(=O)c1ccn(C2CCCCC2)n1 from the molecule amide.,CC(C)n1nccc1-n1n(C2CCCCC2)cc-1
LogP,Please optimize the molecule C#CCSCC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O to have a lower LogP value.,C#CCSCC[NH2+]Cc1c(S)cccc1S(C)(=O)=O
MR,Please modify the molecule CC(Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)NCCc1ccccc1 to decrease its MR value.,CCNC(=O)C(C)Sc1nnc(Cc2ccccc2)n1-c1ccccc1
QED,Please optimize the molecule O=C(NCc1ccccc1)Oc1ccc(-c2ccc(OCCC[NH+]3CCOCC3)cc2)cc1 to have a higher QED value.,CNC(=O)Oc1ccc(-c2ccc(OCCC[NH+]3CCOCC3)cc2)cc1
AtomNum,"There is a molecule composed of 22 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",C[NH+]=C(NCC(=O)[O-])NCc1cc(CCc2ccc(-c3ccccc3)c(F)c2)no1
BondNum,"Please generate a molecule consisting 26 single bonds, 12 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C2OCC2(C)C)cc1OCCOCCOc1cc(C2OCC2(C)C)ccc1OC
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, and 3 halo groups.",O=C([O-])c1ccc(NCCCCCCC(F)(F)F)cc1
AddComponent,Modify the molecule CC(C)(C=O)[NH+]1CCC2(CCC2)CC1 by adding a amine.,CC(C=O)(CN)[NH+]1CCC2(CCC2)CC1
SubComponent,Substitute a halo in the molecule OCCC1CC[NH+](CCOCCCl)C1 with a thiol.,OCCC1CC[NH+](CCOCCS)C1
DelComponent,Please remove a halo from the molecule O=C1C=C(Cc2cc(Cl)cc3c2OCC3)CCC1.,O=C1C=C(Cc2cccc3c2OCC3)CCC1
LogP,Modify the molecule Cc1cc(C(=O)Nc2ccc(Br)cc2C#N)on1 to have a higher LogP value.,Cc1cc(C(=O)Nc2ccc(Br)cc2)on1
MR,Optimize the molecule CCOc1ccc(C=CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC to have a higher MR value.,CCOc1ccc(C=CC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1OCC
QED,Modify the molecule Cc1c(Cl)c(C(F)(F)F)nn1C(C(=O)[O-])C(C)C to decrease its QED value.,Cc1c(Cl)c(C(F)F)nn1C(C(=O)[O-])C(C)C
AtomNum,"There is a molecule with 8 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCC(=N)ONC(C)(C)C(C)=NO
BondNum,"There is a molecule composed of 12 single bonds, 1 double bond, 5 rotatable bonds, and 10 aromatic bonds.",COc1ccsc1C(=O)Nc1cnn(CC2CCCO2)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 3 halo groups, and 2 sulfone groups.",O=C([O-])c1c(Cl)c(Cl)c(Cl)c(S(=O)(=O)[O-])c1S(=O)(=O)[O-]
AddComponent,Modify the molecule Cc1ccc(C(=O)Nc2cccc(CF)c2)cc1-c1cc2cnc(N)[nH]c-2c(-c2ccc3c(ccn3C)c2)c1=O by adding a hydroxyl.,Cc1ccc(C(=O)Nc2cccc(CF)c2)cc1-c1c(O)c2cnc(N)[nH]c-2c(-c2ccc3c(ccn3C)c2)c1=O
SubComponent,Modify the molecule O=C(NCc1ccccc1C[NH+]1CCCCC1)C(=Cc1ccccc1Cl)c1ccccc1 by substituting a halo with a carboxyl.,O=C(NCc1ccccc1C[NH+]1CCCCC1)C(=Cc1ccccc1C(=O)[OH])c1ccccc1
DelComponent,Please remove a COc1ccc(F)cc1-c1nc(C2CC2)c(C[NH3+])[nH]1 from the molecule halo.,COc1ccccc1-c1nc(C2CC2)c(C[NH3+])[nH]1
LogP,Modify the molecule CN(N)C(=O)C([NH3+])C1CCOCC1 to have a higher LogP value.,CNC(=O)C([NH3+])C1CCOCC1
MR,Optimize the molecule Cc1cc(NC(=O)c2nc3ccccc3nc2C)no1 to have a lower MR value.,Cc1cc(-c2(C)nc3ccccc3n-2)no1
QED,Optimize the molecule Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 to have a lower QED value.,Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)S)c1
AtomNum,"The molecule is composed of 24 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)cc1
BondNum,"The molecule contains 11 single bonds, 1 double bond, 8 rotatable bonds, and 6 aromatic bonds.",NNc1ncnc(NCCCCCO)c1[N+](=O)[O-]
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 1 nitro group.",O=[N+]([O-])c1ccc(C=Cc2ccccc2)cc1
AddComponent,Add a hydroxyl to the molecule CC(C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[NH+]1CCCCCC1.,CC(C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1O)[NH+]1CCCCCC1
SubComponent,Please substitute a hydroxyl in the molecule CC1C(CO)CCCN1C(=O)c1nn(C)c2c1CCCC2 with a aldehyde.,CC(=O)CC1CCCN(C(=O)c2nn(C)c3c2CCCC3)C1C
DelComponent,Remove a benzene ring from the molecule CC(=O)CC(Sc1ccccc1)c1cccnc1.,CC(=O)CC(S)c1cccnc1
LogP,Modify the molecule Cc1cnc(C)c(NC(C)Cc2ccccc2)n1 to increase its LogP value.,Cc1cnc(C)c(C(C)Cc2ccccc2)n1
MR,Modify the molecule Nc1cccc2c1N(CC(=O)NC1CCCC1)CCO2 to increase its MR value.,Nc1cccc2c1N(CC(=O)NC1CCCC1N)CCO2
QED,Modify the molecule CCCCCCCCCOCc1ccc(O)c2ncccc12 to increase its QED value.,CCCCCCCCCOCc1ccc(O)c2ncc(N)cc12
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",C[NH2+]C1CCC([NH+](C)Cc2ccccc2C(N)=O)CC1
BondNum,"Please generate a molecule consisting 10 single bonds, 3 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)[O-])s1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",Cc1cc(=O)oc2cc(NC(=O)COc3ccccc3Cl)ccc12
AddComponent,Please add a hydroxyl to the molecule O=C(NC1CCCN(S(=O)(=O)C2CC2)C1)N1CC2CCCCC2C1.,O=C(NC1CCC(O)N(S(=O)(=O)C2CC2)C1)N1CC2CCCCC2C1
SubComponent,Substitute a Cc1nc(N2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc(-n2cnc(C)c2C)n1 in the molecule halo with a nitro.,Cc1nc(N2CCN(C(=O)Cc3ccc(C(F)(F)NO)cc3)CC2)cc(-n2cnc(C)c2C)n1
DelComponent,Please remove a halo from the molecule CCC(C)C[NH+](C)Cc1cc(N)cc(F)c1.,CCC(C)C[NH+](C)Cc1cccc(N)c1
LogP,Optimize the molecule COC(=O)CC(NC(=O)c1ccc(S(C)=O)cc1)c1ccc(Br)cc1 to have a lower LogP value.,COC(=O)CC(NC(=O)c1ccc(S(C)=O)cc1)c1ccc(O)cc1
MR,Please optimize the molecule CC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCCC3C)c2)CC1 to have a higher MR value.,CC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)C#N)ccn3)nc(N3CCCC3C)c2)CC1
QED,Modify the molecule N#Cc1ccc(N2C(=O)C(c3ccc(F)cc3)=C([NH+]3CCN(c4ccccn4)CC3)C2=O)cc1 to decrease its QED value.,N#Cc1ccc(C2=C([NH+]3CCN(c4ccccn4)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1
AtomNum,"There is a molecule with 19 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1ccc(-c2cncc(C(=O)NC3(C[NH3+])CCCC3)c2)cc1
BondNum,"Please generate a molecule consisting 9 single bonds, 4 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",NC(=O)c1cc(S(=O)(=O)c2cccc(F)c2)sc1NC(=O)c1ccccc1F
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ester group, 2 amide groups, and 1 sulfone group.",CCN(CC)c1ccc(NC(=O)COC(=O)CC2c3ccccc3CCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
AddComponent,Modify the molecule CC(C)(C)OC(=O)NC1CCCCNC1=O by adding a nitrile.,CC(C)(C)OC(=O)NC1C(=O)NCCCC1C#N
SubComponent,Substitute a halo in the molecule COc1ccc(Cl)cc1Nc1c(C)cccc1C(N)=S with a carboxyl.,COc1ccc(C(=O)[OH])cc1Nc1c(C)cccc1C(N)=S
DelComponent,Remove a CCc1nc(NC(=O)C(CC)CC)sc1C(=O)[O-] from the molecule amide.,CCc1nc(C(C)CC)sc1C(=O)[O-]
LogP,Optimize the molecule CCNC(=[NH+]CCCNS(C)(=O)=O)N1CCC(COCc2ccccc2)C1 to have a lower LogP value.,CCNC(=[NH+]CCCNS(C)(=O)=O)N1CCC(COC)C1
MR,Please modify the molecule O=C(NC1(C(=O)[O-])CCOCC1)c1ccc(F)cc1O to increase its MR value.,O=C(NC1(C(=O)[O-])CCOCC1)c1ccc(O)cc1O
QED,Please modify the molecule Cc1ccc(NC(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccn2)cc1C to increase its QED value.,Cc1ccc(NC(=O)c2cc(C(=O)NCc3ccccc3)ccn2)cc1C
AtomNum,"There is a molecule composed of 33 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",Cc1c(CC(=O)N2CCC3(O)CCCCC3C2)c(=O)oc2cc3occ(-c4ccc5ccccc5c4)c3cc12
BondNum,"Please generate a molecule consisting 16 single bonds, 4 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",CC1=Cc2ccccc2C1[Si](C)(C)C1=C(C)C=C2C1=Cc1ccccc1C2C
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 2 amide groups.",CC(C)Oc1ccc(NC(=O)CC(=O)N(Cc2ccccc2)C(C)C)cc1
AddComponent,Please add a benzene ring to the molecule CCCCC([NH3+])C(=O)Nc1ncccc1C.,CCCCC([NH3+])C(=O)Nc1ncc(-c2ccccc2)cc1C
SubComponent,Substitute a halo in the molecule Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCCC(=O)[O-] with a carboxyl.,Cc1nc(-c2ccc(C(=O)[OH])cc2)sc1C(=O)NCCCCC(=O)[O-]
DelComponent,Modify the molecule hydroxyl by removing a Cc1cc(-c2c[nH+]c3c(NCCC(F)(F)F)cc(CCO)cn23)ccc1C(N)=O.,CCc1cc(NCCC(F)(F)F)c2[nH+]cc(-c3ccc(C(N)=O)c(C)c3)n2c1
LogP,Please modify the molecule CCc1ccc(C(=O)C(C#N)c2ccc(C)cc2)s1 to decrease its LogP value.,CCc1ccc(C(=O)C(C)C#N)s1
MR,Modify the molecule CCC1CCCCN1C(=O)COC(=O)c1c(-c2ccc(Cl)cc2)c2ccccc2c(=O)n1C to increase its MR value.,CCC1CCCCN1C(=O)COC(=O)c1c(-c2ccc(S)cc2)c2ccccc2c(=O)n1C
QED,Modify the molecule Cc1c(NN)nc(C(C)C)nc1N(C)c1ccccc1F to have a lower QED value.,Cc1c(NN)nc(C(C)C)nc1N(C)c1ccccc1NO
AtomNum,"There is a molecule with 11 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCCOCC(=O)N(CC(=O)[O-])C(C)(C)C
BondNum,"There is a molecule composed of 14 single bonds, 4 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)OCC)nc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 3 halo groups.",Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(C(=O)[O-])c2)n1
AddComponent,Modify the molecule CCN(CC(=O)[O-])C(=O)COc1ccc2c(c1)CCCC2 by adding a carboxyl.,CC(C(=O)O)N(CC(=O)[O-])C(=O)COc1ccc2c(c1)CCCC2
SubComponent,Substitute a hydroxyl in the molecule C[NH2+]CC1Oc2ncc(C3=CCCC3)cc2C(=O)N(C(C)CO)CC1C with a aldehyde.,CC(=O)CC(C)N1CC(C)C(C[NH2+]C)Oc2ncc(C3=CCCC3)cc2C1=O
DelComponent,Modify the molecule aldehyde by removing a CCOc1cc2c(cc1CC=O)C(C(C)C)=CCC2(C)C.,CCOc1ccc2c(c1)C(C)(C)CC=C2C(C)C
LogP,Please modify the molecule CCCCO[Si](OCCCC)C(C)Cl to increase its LogP value.,CCCCO[Si](OC(CCC)c1ccccc1)C(C)Cl
MR,Modify the molecule C[NH2+]Cc1cc(Br)ccc1OC(C)COC to decrease its MR value.,C[NH2+]Cc1cc(NO)ccc1OC(C)COC
QED,Modify the molecule Brc1cc(C=NCc2ccccc2)oc1I to have a higher QED value.,O=C([OH])c1cc(C=NCc2ccccc2)oc1I
AtomNum,"There is a molecule composed of 17 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 chlorine atom, and 1 selenium atom.",COc1ccc(C([Se]C#N)=C(C=O)c2ccc(Cl)cc2)cc1
BondNum,"There is a molecule composed of 9 single bonds, 7 rotatable bonds, and 5 aromatic bonds.",CCCOCC(Cc1ccco1)[NH2+]C
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 1 hydroxyl group, 1 ester group, and 4 amide groups.",CC(O)C(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-]
AddComponent,Add a carboxyl to the molecule COC(=O)C(C)S(=O)(=O)Nc1cnc(Cl)c(Br)c1.,COC(=O)C(C)S(=O)(=O)Nc1cnc(Cl)c(Br)c1C(=O)O
SubComponent,Modify the molecule halo by substituting a CN(Cc1ccc(Cl)s1)C(=O)C1CC[NH2+]C1 with a aldehyde.,CC(=O)c1ccc(CN(C)C(=O)C2CC[NH2+]C2)s1
DelComponent,Remove a COc1cccc(-n2c(SC(C)C(=O)N3c4ccccc4CC3C)nc3ccccc3c2=O)c1 from the molecule amide.,COc1cccc(-n2c(SCC3(C)Cc4ccccc43)nc3ccccc3c2=O)c1
LogP,Optimize the molecule CCCC=Cc1c(O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1-c1c(O)c(CC=C(C)CCC=C(C)C)c(O)c(O)c1C=CCCC to have a lower LogP value.,CCCC=Cc1c(O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1-c1c(O)c(CC=C(C)CCC=C(C)C)c(O)c(C(=O)[OH])c1C=CCCC
MR,Modify the molecule CCOc1ccc(C[NH+](C)C(C)C(=O)[O-])cc1 to decrease its MR value.,CCOC[NH+](C)C(C)C(=O)[O-]
QED,Optimize the molecule C[NH+]1CCN(C2=[NH+]c3ccc(F)cc3Nc3sc4ccc(C(=CC(=O)[O-])C(=O)[O-])cc4c32)CC1 to have a lower QED value.,CC(=O)c1ccc2c(c1)Nc1sc3ccc(C(=CC(=O)[O-])C(=O)[O-])cc3c1C(N1CC[NH+](C)CC1)=[NH+]2
AtomNum,"Please generate a molecule with 27 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",N#CC(=Cc1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccc2ccccc2c1
BondNum,"Please generate a molecule with 8 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",CC1OC1C(=O)N(c1ccccc1)c1ccccc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 2 amide groups.",CC(C)COc1ccc(C2=C([NH+]3CCCC3)C(=O)N(Cc3ccccn3)C2=O)cc1
AddComponent,Add a benzene ring to the molecule CCC1[NH2+]CCc2cc(C)cc(C)c21.,CCC1(c2ccccc2)[NH2+]CCc2cc(C)cc(C)c21
SubComponent,Please substitute a halo in the molecule CC(CO)C(Sc1ccc(Cl)cc1)c1cc(F)ccc1F with a hydroxyl.,CC(CO)C(Sc1ccc(O)cc1)c1cc(F)ccc1F
DelComponent,Modify the molecule benzene ring by removing a C[n+]1[nH]oc(=O)c1SCC(=O)Nc1ccccc1OC(F)(F)F.,C[n+]1[nH]oc(=O)c1SCC(=O)NOC(F)(F)F
LogP,Optimize the molecule CC1C[NH2+]CCC1Oc1ccc(Cl)c(Cl)c1 to have a lower LogP value.,CC1C[NH2+]CCC1Oc1ccc(Cl)cc1
MR,Modify the molecule N#CCc1ccc(C2=NCCO2)cc1 to have a lower MR value.,N#CCC1=NCCO1
QED,Modify the molecule CCN(CC)N=Nc1ccc(C=Cc2sc(C=Cc3ccc(I)cc3)c3c2OCCO3)cc1 to increase its QED value.,CCN(CC)N=Nc1ccc(C=Cc2sc(C=Cc3ccccc3)c3c2OCCO3)cc1
AtomNum,"Please generate a molecule composed of 25 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",O=C(NN=Cc1ccc2c3c(cccc13)CC2)c1ccc(C[NH+]2CCOCC2)cc1
BondNum,"The molecule contains 16 single bonds, 2 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",COC(=O)C(C)CN(CCCO)C(=O)COc1cccc(OC)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 halo group.",Cc1oncc1Cn1cc(N2C(=O)CN(CCc3ccc(F)cc3)C2=O)cn1
AddComponent,Add a benzene ring to the molecule COc1ccc(C23C(=O)N(Nc4ccc(Cl)cc4Cl)C(=O)C2CC2C(=CCC4C(=O)N(c5ccc(C=Cc6cc(OC)ccc6OC)cc5)C(=O)C42)C3c2cc(Cl)c(O)c(OC)c2)cc1.,COc1ccc(OC)c(C=Cc2ccc(N3C(=O)C4CC=C5C(CC6C(=O)N(Nc7ccc(Cl)cc7Cl)C(=O)C6(c6ccc(OC)c(-c7ccccc7)c6)C5c5cc(Cl)c(O)c(OC)c5)C4C3=O)cc2)c1
SubComponent,Please substitute a hydroxyl in the molecule CCN(CC)c1cncc(C(=O)NO)n1 with a nitro.,CCN(CC)c1cncc(C(=O)NNO)n1
DelComponent,Please remove a amine from the molecule CC(O)(CNS(=O)(=O)c1csc2ccccc12)C(=O)[O-].,CC(O)(CS(=O)(=O)c1csc2ccccc12)C(=O)[O-]
LogP,Modify the molecule CCC(CC)C(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1 to increase its LogP value.,CC1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CCC1C
MR,Please optimize the molecule CC(O)C(C)(C)Nc1ncc(I)cn1 to have a lower MR value.,CC(O)C(C)(C)Nc1ncc(S)cn1
QED,Modify the molecule Cc1nc(SCc2cccc(Cl)c2)n(CC2CCCO2)c1C to decrease its QED value.,Cc1nc(SCCl)n(CC2CCCO2)c1C
AtomNum,"There is a molecule with 15 carbon atoms, 3 nitrogen atoms, and 1 chlorine atom.",C[NH+]=C(NCCc1ccc(Cl)cc1)NC(C)C(C)C
BondNum,"The molecule has 26 single bonds, 6 double bonds, 16 rotatable bonds, and 5 aromatic bonds.",CC(C)C(NC(=O)C(CC(=O)[O-])NC(=O)C(Cc1cnc[nH]1)NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)[O-]
FunctionalGroup,The molecule has and 1 benzene ring group.,CC[NH+](CC)CCn1c(COc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
AddComponent,Add a benzene ring to the molecule CCCCNC(=O)C(CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1.,CCCCNC(=O)C(CC)N(Cc1ccc(F)cc1)C(=O)C(Oc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(NCCCc1cccc(NCCCc2ccccc2)c1)C(F)(F)F with a hydroxyl.,O=C(NCCCc1cccc(NCCCc2ccccc2)c1)C(O)(F)F
DelComponent,Remove a hydroxyl from the molecule OC(C[NH2+]CCN1CCCC1)c1ccc(F)c(F)c1.,Fc1ccc(CC[NH2+]CCN2CCCC2)cc1F
LogP,Modify the molecule CCOC(=O)C1CCCN(C(=S)Nc2ccccc2Cl)C1 to decrease its LogP value.,CCOC(=O)C1CCCN(C(=S)c2ccccc2Cl)C1
MR,Modify the molecule CCn1c(C(=O)NCCCOC(C)C)c(C)c2ccccc21 to have a lower MR value.,CCn1c2ccccc2c-1(C)CCCOC(C)C
QED,Modify the molecule CCCCCCCCC(=O)NCCC(Cl)COC to decrease its QED value.,CCCCCCCCCC(Cl)COC
AtomNum,"The molecule has 21 carbon atoms, 5 nitrogen atoms, and 2 bromine atoms.",CCCCCCCCCCCCC1=[NH+]C2=C(Br)C=C(Br)C3=[NH+]C(C)=[NH+]C(=[NH+]1)N32
BondNum,"Please generate a molecule composed of 10 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC[NH2+]Cc1ccc(Cl)cc1-c1c(C)cc(C)cc1OC
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 3 halo groups.",Fc1cc(F)c(C2CC[NH2+]CC2)cc1F
AddComponent,Add a carboxyl to the molecule C=CCNC(=O)C(C)[NH2+]C(c1cccs1)C(C)C.,C=CCNC(=O)C(C)[NH2+]C(c1cc(C(=O)O)cs1)C(C)C
SubComponent,Substitute a halo in the molecule O=C(NC1CCc2nnnn2CC1)c1ccc(Br)cc1F with a nitro.,ONc1ccc(C(=O)NC2CCc3nnnn3CC2)c(F)c1
DelComponent,Please remove a CCCCCCCCCOC(=S)SNC(=O)c1ccccc1 from the molecule benzene ring.,CCCCCCCCCOC(=S)SNC=O
LogP,Please optimize the molecule CN(c1ccc(N)c(OCC2CC2)n1)c1ccccc1F to have a higher LogP value.,Nc1ccc(N(CS)c2ccccc2F)nc1OCC1CC1
MR,Please optimize the molecule O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc(Cl)c(NC(=O)C3CC3c3ccccc3)c2)CC1 to have a lower MR value.,N#Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1NC(=O)C1CC1c1ccccc1
QED,Modify the molecule COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCCCCCCC(CCCCCCC(F)(F)C(F)(F)F)C(=O)OC)cc1 to decrease its QED value.,COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCCCCCCC(CCCCCCC(F)(NO)C(F)(F)F)C(=O)OC)cc1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)c1cc2ccc(C)cc2n1Cc1nccs1
BondNum,"The molecule is composed of 11 single bonds, 4 rotatable bonds, and 17 aromatic bonds.",Cc1nccn1CCN(C)c1ncnc2c1Cc1ccccc1OC2
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ester group, and 1 amide group.",CC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(C(=O)OC)cc3)c(C)n2)CC1
AddComponent,Modify the molecule Cc1cccc(C(C)C)c1NC(=O)C(C)OC(=O)c1cc(-c2ccco2)nc2ccccc12 by adding a aldehyde.,Cc1cccc(C(C)C)c1NC(=O)C(C)(CC=O)OC(=O)c1cc(-c2ccco2)nc2ccccc12
SubComponent,Modify the molecule CC1C([NH3+])=C(Nc2ncccn2)CCN1C(=O)c1ccc(Cl)cc1Cl by substituting a halo with a hydroxyl.,CC1C([NH3+])=C(Nc2ncccn2)CCN1C(=O)c1ccc(O)cc1Cl
DelComponent,Modify the molecule benzene ring by removing a COc1cc(NC(=O)Nc2cccc(OC(F)(F)F)c2)ccc1C(=O)NCCC[NH+]1CCCCC1.,COc1cc(NC(=O)NOC(F)(F)F)ccc1C(=O)NCCC[NH+]1CCCCC1
LogP,Please modify the molecule N#CC1(c2ccc(Cl)cc2F)CCC(=O)CC1 to decrease its LogP value.,N#CC1(c2ccc(O)cc2F)CCC(=O)CC1
MR,Modify the molecule O=C(CCC[NH+]1Cc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1)c1ccccc1 to have a higher MR value.,O=C([OH])c1ccc(-n2c3c(c4cc(F)ccc42)C[NH+](CCCC(=O)c2ccccc2)C3)cc1
QED,Please optimize the molecule Cc1nn(CCCS(C)(=O)=O)c(C)c1CO to have a higher QED value.,Cc1nn(CCCS(C)(=O)=O)c(C)c1C(O)c1ccccc1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 chlorine atom.",N#Cc1nn(-c2ccc(Cl)cc2)nc1N1CCOCC1
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, and 7 rotatable bonds.",CCCCC([NH3+])C(=O)NCC(O)CC
FunctionalGroup,The molecule consists of and 2 halo groups.,CCC1CCN(c2nc(Cl)ncc2F)C1
AddComponent,Modify the molecule CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3ccccc3COc3ccccc3)cc2)CC1 by adding a benzene ring.,CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3ccccc3COc3ccccc3)cc2)C(c2ccccc2)C1
SubComponent,Modify the molecule hydroxyl by substituting a CC1(C)CC(NC(=O)C(=O)NC2C(O)OC(CO)C(O)C2O)C(C)(C)[NH2+]1 with a nitro.,CC1(C)CC(NC(=O)C(=O)NC2C(NO)OC(CO)C(O)C2O)C(C)(C)[NH2+]1
DelComponent,Please remove a benzene ring from the molecule CC(=O)c1ccc(NC(=O)c2cc(COc3ccccc3[N+](=O)[O-])cs2)cc1.,CC(=O)NC(=O)c1cc(COc2ccccc2[N+](=O)[O-])cs1
LogP,Please modify the molecule CN(CCl)CCc1cc[nH]c1 to decrease its LogP value.,CN(C)CCc1cc[nH]c1
MR,Please optimize the molecule CO[Si](CCOCC(O)COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43)(OC)OC to have a higher MR value.,CO[Si](CCOCC(COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43)NO)(OC)OC
QED,Modify the molecule BrCC(OCC1CC1)c1ccccc1Br to increase its QED value.,OCC(OCC1CC1)c1ccccc1Br
AtomNum,"The molecule consists of 9 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",[NH3+]C1CCN(CCC2CSC2)C1
BondNum,"There is a molecule consisting of 16 single bonds, 2 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",COc1c(Cl)cc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)C2c2ccc(Br)cc2)cc1Cl
FunctionalGroup,"There is a molecule consisting of 3 halo groups, and 1 sulfide group.",O=C(NCC(F)(F)F)Nc1ccc2nc(N3CCOCC3)sc2c1
AddComponent,Modify the molecule Cc1cc2c(n1-c1nc3c(s1)CCC3)CC(C)(C)CC2O by adding a hydroxyl.,Cc1cc2c(n1-c1nc3c(s1)CCC3)C(O)C(C)(C)CC2O
SubComponent,Modify the molecule hydroxyl by substituting a CCN(CC(N)=[NH+]O)C(=O)C1C2CCCCC21 with a aldehyde.,CC(=O)[NH+]=C(N)CN(CC)C(=O)C1C2CCCCC21
DelComponent,Please remove a benzene ring from the molecule CCc1ccccc1NCc1ccccc1OC(F)F.,CCNCc1ccccc1OC(F)F
LogP,Modify the molecule O=C(C=Cc1ccccc1Cl)c1ccc(NC(=O)c2ccccc2-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 to decrease its LogP value.,O=C(C=Cc1ccccc1O)c1ccc(NC(=O)c2ccccc2-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1
MR,Modify the molecule CCC[NH2+]C(CO)CN(CC)CC(F)(F)F to have a higher MR value.,CCC[NH2+]C(CO)CN(CC)CC(F)(F)NO
QED,Optimize the molecule Cn1c(O)c(N=NC(=O)COc2ccccc2)c2ccccc21 to have a higher QED value.,Cn1c(O)c(N=NC(=O)CO)c2ccccc21
AtomNum,"The molecule contains 16 carbon atoms, and 2 nitrogen atoms.",CCCC1C[NH2+]C(C(C)(C)C)CN1CC1CCC1
BondNum,"The molecule has 16 single bonds, 1 double bond, 8 rotatable bonds, and 17 aromatic bonds.",COc1cc2nc(C[NH+]3CCOCC3)n(CCCc3ccccc3)c(=O)c2cc1OC
FunctionalGroup,"Please generate a molecule composed of 1 ester group, and 1 sulfone group.",C=CC(=O)OCCC[N+](C)(C)CCCS(=O)(=O)[O-]
AddComponent,Add a hydroxyl to the molecule CCc1ccc(NC(=O)N2CC(C)Sc3ccccc32)cc1.,CCc1ccc(NC(=O)N2c3ccccc3SC(C)C2O)cc1
SubComponent,Modify the molecule halo by substituting a Cn1nc(-c2ccc(I)cc2)c(-c2cccc(F)c2)c1N with a nitrile.,Cn1nc(-c2ccc(C#N)cc2)c(-c2cccc(F)c2)c1N
DelComponent,Remove a COc1ccc(Br)cc1CC(Nc1cc[nH]c(=O)c1-c1nc2c(C)cc(-n3ccnc3)cc2[nH]1)C(=O)[O-] from the molecule amine.,COc1ccc(Br)cc1CC(C(=O)[O-])c1cc[nH]c(=O)c1-c1nc2c(C)cc(-n3ccnc3)cc2[nH]1
LogP,Optimize the molecule COC=C1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 to have a lower LogP value.,COC=C1CCc2c(sc(NC(=O)Nc3ccc(O)cc3)c2C(N)=O)C1
MR,Modify the molecule Cc1cccc(C[NH2+]CCCCO)c1C to have a higher MR value.,Cc1cccc(C[NH2+]CCCCNO)c1C
QED,Optimize the molecule Cc1cc(C2C(c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1-c1nccs1 to have a higher QED value.,Cc1cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1nccs1
AtomNum,"The molecule has 22 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",O=C(C=Cc1ccc2c(c1)OCO2)N1CCCCC(c2ccc(Cl)cc2)C1
BondNum,"Please generate a molecule consisting 11 single bonds, 1 double bond, 7 rotatable bonds, and 16 aromatic bonds.",COc1ccc(C(CNc2nc3ccc([N+](=O)[O-])cc3s2)[NH+](C)C)cc1
FunctionalGroup,The molecule is composed of and 1 amine group.,CC(C)CN(N)c1cn[nH]n1
AddComponent,Please add a amine to the molecule COC(=O)c1ccc(S(=O)(=O)c2ccc(N)c(NC(C)=O)c2)cc1.,COC(=O)c1ccc(S(=O)(=O)c2ccc(N)c(NC(=O)CN)c2)cc1
SubComponent,Substitute a halo in the molecule Cc1c(N)cc(Br)cc1C(=O)Nc1ccc(Cl)cc1F with a carboxyl.,Cc1c(N)cc(C(=O)[OH])cc1C(=O)Nc1ccc(Cl)cc1F
DelComponent,Remove a amide from the molecule CCCOc1cc(C2=NN(Cc3ccc(NC(=O)C[NH+]4CCSCC4)cc3)C(=O)SC2)ccc1OC.,CCCOc1cc(C2=NN(Cc3ccc([NH+]4CCSCC4)cc3)C(=O)SC2)ccc1OC
LogP,Modify the molecule CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nnc(C2CCS(=O)(=O)C2)n1C to increase its LogP value.,CC(C)c1ccc(-c2ccccc2)c(C(C)C)c1NC(=O)CSc1nnc(C2CCS(=O)(=O)C2)n1C
MR,Optimize the molecule CCC[NH+]1CCCC(C(C)[NH2+]Cc2ccn[nH]2)C1 to have a higher MR value.,CCC[NH+]1CCCC(C(C)(O)[NH2+]Cc2ccn[nH]2)C1
QED,Please modify the molecule COCCOc1ccc2c(-c3c(O)[nH]c4ccc(C(=O)NC5CCCCNC5=O)cc34)ccnc2c1 to decrease its QED value.,COCCOc1ccc2c(-c3c(O)[nH]c4ccc(C(=O)NC5CCC(O)CNC5=O)cc34)ccnc2c1
AtomNum,"The molecule has 12 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",O=S1(=O)CCN(CCCNc2nnc(C3CC3)s2)CC1
BondNum,"The molecule contains 6 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C=O)c(C(C)C#N)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 halo group, and 1 nitrile group.",N#CCc1ccc(-c2ccccc2F)nc1
AddComponent,Modify the molecule CCC(C#N)C[Si]1(c2ccccc2C)CCCCO1 by adding a benzene ring.,CCC(C#N)C[Si]1(c2ccccc2C)OCCCC1c1ccccc1
SubComponent,Substitute a halo in the molecule Cn1c(CC2CCCCC2)nnc1SCc1ccc(Cl)c(Cl)c1 with a nitrile.,Cn1c(CC2CCCCC2)nnc1SCc1ccc(C#N)c(Cl)c1
DelComponent,Please remove a CC1(C)CCc2ccc(-c3cc4nccc(NC5CCC(CCOS(N)(=O)=O)C5)n4n3)cc21 from the molecule amine.,CC1(C)CCc2ccc(-c3cc4nccc(C5CCC(CCOS(N)(=O)=O)C5)n4n3)cc21
LogP,Modify the molecule O=C(C=C(Cl)c1ccccc1)c1ccc(Cl)cc1 to have a lower LogP value.,O=C(C=C(O)c1ccccc1)c1ccc(Cl)cc1
MR,Please modify the molecule COc1ccc(NC(=O)c2cnc(Nc3cccc(C)c3C)cn2)cc1Cl to increase its MR value.,COc1ccc(NC(=O)c2cnc(Nc3cccc(C)c3C)cn2)cc1S
QED,Please optimize the molecule CC(=O)On1cc(O)cc1O to have a higher QED value.,CC(=O)On1cccc1O
AtomNum,"The molecule consists of 28 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCN(CC)C(=O)C1CCCN(c2cccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2)C1
BondNum,"The molecule is composed of 16 single bonds, 5 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1
FunctionalGroup,Please generate a molecule consisting and 2 ketone groups.,COC1=CC(=O)C(c2cc([O-])c3c(=O)cc(OC)cc-3o2)=C(OC)C1=O
AddComponent,Add a hydroxyl to the molecule Cc1ccc(OCCCCC(C)(N)C#N)cc1C.,Cc1ccc(OCCCCC(C)(N)C#N)c(O)c1C
SubComponent,Modify the molecule hydroxyl by substituting a Cc1sc(-c2ccco2)nc1C(=O)NCC(O)C1CC1 with a nitro.,Cc1sc(-c2ccco2)nc1C(=O)NCC(NO)C1CC1
DelComponent,Please remove a benzene ring from the molecule [NH3+]C(CC(=O)[O-])c1ccc(OC2CCCC2)cc1.,[NH3+]C(CC(=O)[O-])OC1CCCC1
LogP,Please modify the molecule O=C(Oc1ccc2oc3ccccc3c2c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F to decrease its LogP value.,O=C(Oc1ccc2oc3ccccc3c2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
MR,Modify the molecule Clc1ccccc1OC1CC[NH+](CCCn2ccnc2)C1 to have a lower MR value.,ClOC1CC[NH+](CCCn2ccnc2)C1
QED,Please optimize the molecule [O-]P(O)C1(CCCCF)CCCC=C1CCCCF to have a higher QED value.,CCCCC1(P([O-])O)CCCC=C1CCCCF
AtomNum,"The molecule consists of 16 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CN(Cc1csc2ccccc12)S(=O)(=O)c1cnn2c1OCCC2
BondNum,"The molecule has 14 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CCC1(C(=O)[O-])CCCN1C(=O)Nc1cccc(Cl)c1Br
FunctionalGroup,The molecule contains and 1 hydroxyl group.,CCCc1cc(NC(=O)OCCO)n[nH]1
AddComponent,Modify the molecule CCC(Nc1ccc2cn[nH]c2c1)c1ccccc1OC by adding a benzene ring.,CCC(Nc1ccc2cn[nH]c2c1)c1cccc(-c2ccccc2)c1OC
SubComponent,Modify the molecule halo by substituting a CC[NH2+]C(Cc1cc(Cl)ccc1OC)c1coc(C)c1 with a aldehyde.,CC(=O)c1ccc(OC)c(CC([NH2+]CC)c2coc(C)c2)c1
DelComponent,Modify the molecule benzene ring by removing a CC[NH2+]C(c1cc(Cl)ccc1F)c1cc(C)sc1C.,CC[NH2+]C(F)(Cl)c1cc(C)sc1C
LogP,Modify the molecule COc1c(C)cc(Br)c(C)c1C([NH3+])c1cc(Br)c(Br)s1 to have a lower LogP value.,COc1c(C)cc(O)c(C)c1C([NH3+])c1cc(Br)c(Br)s1
MR,Optimize the molecule CC[NH2+]C(C)CC(=O)NC1CCC(C(=O)OCC)CC1 to have a lower MR value.,CC[NH2+]C(C)C1CCC(C(=O)OCC)CC1
QED,Please optimize the molecule CC(C)(C)OC(=O)N1C(CC#N)CCC1c1cccnc1 to have a higher QED value.,CC(C)(C)OC(=O)N1C(CNO)CCC1c1cccnc1
AtomNum,"There is a molecule with 13 carbon atoms, 4 oxygen atoms, and 1 sulfur atom.",O=C([O-])C(c1ccccc1)S(=O)(=O)C1CCCC1
BondNum,"Please generate a molecule consisting 33 single bonds, 3 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",COC(=O)c1ccc(-c2cc(C3=C(CN4C(=O)OC(c5cc(C)cc(C(F)(F)F)c5)C4C)CC(C)(C)CC3)c(OC)cc2C(F)(F)F)c(C)c1
FunctionalGroup,The molecule contains and 1 halo group.,CCCCC1C[NH2+]CCN1c1nc2cc(Cl)cc(CC)c2o1
AddComponent,Modify the molecule COCC[NH+](Cc1ccccc1F)CC(O)COC(C)C by adding a benzene ring.,COCC[NH+](Cc1ccccc1F)CC(O)(COC(C)C)c1ccccc1
SubComponent,Modify the molecule Cc1ccc2c(c1C)OC(C)(C)CC2Cl by substituting a halo with a thiol.,Cc1ccc2c(c1C)OC(C)(C)CC2S
DelComponent,Modify the molecule CC(=O)CC(=O)c1cc(Cl)ccc1Cl by removing a halo.,CC(=O)CC(=O)c1cccc(Cl)c1
LogP,Optimize the molecule O=c1[nH]c(CCl)nc2scc(-c3cc4ccccc4s3)c12 to have a lower LogP value.,O=c1[nH]c(CO)nc2scc(-c3cc4ccccc4s3)c12
MR,Please modify the molecule O=C(NCC[NH+]1CCOCC1)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sc5ccccc5c4Cl)c[nH]3)c[nH]2)c[nH]1 to increase its MR value.,O=C(NCC[NH+]1CCOCC1)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sc5ccccc5c4S)c[nH]3)c[nH]2)c[nH]1
QED,Modify the molecule Cc1ccc(NC2C=CS(=O)(=O)C2)c(C)c1 to decrease its QED value.,CN(C)C1C=CS(=O)(=O)C1
AtomNum,"The molecule has 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CC[NH+]1CCCCC1Cc1ncc(C(C)CO)s1
BondNum,"There is a molecule consisting of 10 single bonds, 3 double bonds, 5 rotatable bonds, and 20 aromatic bonds.",CCOC(=O)c1cc2cc(NC(=O)Cc3c(C)nc4cc(=O)[nH]n4c3C)ccc2s1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 2 halo groups.",CCc1cc(Oc2ccc(CBr)cc2)ccc1Cl
AddComponent,Add a hydroxyl to the molecule CC(=O)N1C(Nc2ccccc2)CC(C)N1c1ccccc1.,CC(=O)N1C(Nc2ccccc2O)CC(C)N1c1ccccc1
SubComponent,Please substitute a O=S(=O)([O-])C(c1cc(O)cc(Cl)c1)(c1ccccc1Cl)c1cc(O)c(Cl)cc1Cl in the molecule hydroxyl with a thiol.,O=S(=O)([O-])C(c1cc(S)cc(Cl)c1)(c1ccccc1Cl)c1cc(O)c(Cl)cc1Cl
DelComponent,Modify the molecule benzene ring by removing a CCC(=O)NCCN1C(=O)C(C)(c2ccccc2F)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCN(C(=O)OC(C)(C)C)C3)cc21.,CCC(=O)NCCN1C(=O)C(C)(F)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCN(C(=O)OC(C)(C)C)C3)cc21
LogP,Modify the molecule CC(Sc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 to have a lower LogP value.,CC(SNC(=O)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1
MR,Modify the molecule CCCCCCCCCc1ccc(C(N)=O)cc1 to have a lower MR value.,CCCCCCCCCC(N)=O
QED,Optimize the molecule NC(c1ccc2c(c1)OCO2)C(F)(F)C=O to have a lower QED value.,NC(c1ccc2c(c1)OCO2)C(F)C=O
AtomNum,"The molecule has 14 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 sulfur atoms.",Cc1nc(SCC(=O)N(C)Cc2cccs2)sc1CC(N)=O
BondNum,"The molecule is composed of 10 single bonds, 1 triple bond, 7 rotatable bonds, and 12 aromatic bonds.",CC([NH2+]C(CCCO)c1ccccc1)c1ccc(C#N)cc1
FunctionalGroup,"The molecule consists of 1 ester group, and 1 sulfide group.",CCOC(=O)CC(C)CC([NH3+])c1sc(C)cc1C
AddComponent,Add a hydroxyl to the molecule CCCCCCCC(=O)C(C)=C(C)C.,CCCCCCCC(=O)C(CO)=C(C)C
SubComponent,Substitute a nitrile in the molecule COCCNc1nc(Nc2ccc(OC)cc2)c(C#N)c2c1COC(C)(C)C2 with a hydroxyl.,COCCNc1nc(Nc2ccc(OC)cc2)c(O)c2c1COC(C)(C)C2
DelComponent,Modify the molecule amine by removing a NNc1cc(C2CC2)[nH]c1C1CC1.,Nc1cc(C2CC2)[nH]c1C1CC1
LogP,Optimize the molecule CCc1ccc(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 to have a higher LogP value.,CCc1ccc(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2-c2ccccc2)cc1
MR,Modify the molecule Cc1cccc2c1OC(C(=O)N1CCC(C)(O)CC1)C2 to decrease its MR value.,Cc1cccc2c1OC(C(=O)N1CCC(C)CC1)C2
QED,Modify the molecule CC([NH3+])C1(C2CCC2)COC1 to decrease its QED value.,CC([NH3+])C1(C2CCC2)COC1O
AtomNum,"The molecule has 12 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(NC(=O)c2ncn[nH]2)cc1S(=O)(=O)N(C)C
BondNum,"The molecule consists of 18 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1
FunctionalGroup,Please generate a molecule with and 1 ester group.,O=C([O-])c1ccc2c(c1)CCOC2=O
AddComponent,Add a hydroxyl to the molecule O=C(c1ccccc1)N1CC(=O)[N+](CC2CCN(c3cc[nH+]cc3)CC2)(OC(=O)C(F)(F)F)c2ccccc2C1.,O=C(c1ccccc1)N1CC(=O)[N+](CC2CCN(c3cc[nH+]cc3)CC2)(OC(=O)C(F)(F)F)c2ccccc2C1O
SubComponent,Substitute a halo in the molecule FC(F)(F)SCCn1c(CCl)nc2cc(Br)ccc21 with a nitrile.,N#CC(F)(F)SCCn1c(CCl)nc2cc(Br)ccc21
DelComponent,Remove a benzene ring from the molecule CCc1nnc(NC(=O)C2CC2c2ccccc2C(F)(F)F)s1.,CCc1nnc(NC(=O)C2CC2C(F)(F)F)s1
LogP,Please optimize the molecule Cn1cc(-c2cc3nccnc3c(NCC3CN(C(=O)OC(C)(C)C)CCO3)n2)cn1 to have a lower LogP value.,Cn1cc(-c2cc3nccnc3c(NCC3CN(C(=O)OC(C)(C)C)CC(O)O3)n2)cn1
MR,Optimize the molecule CCCOc1cc(NCC(C)CO)c(N)cc1F to have a higher MR value.,CCCOc1cc(NCC(C)CO)c(N)cc1NO
QED,Optimize the molecule CCCNc1nc(-c2cnn(C)c2)nc(C(C)C)c1Br to have a lower QED value.,CCCNc1nc(-c2cnn(C)c2)nc(C(C)C)c1NO
AtomNum,"There is a molecule composed of 26 carbon atoms, 7 oxygen atoms, 4 nitrogen atoms, 2 sulfur atoms, and 3 fluorine atoms.",CC(C)(C)OC(=O)N1CCC(NC(=O)NCCNS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1
BondNum,"Please generate a molecule with 17 single bonds, 3 double bonds, 3 rotatable bonds, and 18 aromatic bonds.",CC(C)(C)c1ccc(C2C(=C([O-])c3ccc(Cl)c(Cl)c3)C(=O)C(=O)N2c2cc(F)ccc2F)cc1
FunctionalGroup,"The molecule is composed of 2 amide groups, and 1 halo group.",NC(=O)CC1(NC(=O)CCCl)COC1
AddComponent,Please add a benzene ring to the molecule CCOC(=O)C(C)(CC(C)[NH+](C)C(CC)CC)[NH2+]C1CC1.,CCOC(=O)C(C)(CC(C)[NH+](Cc1ccccc1)C(CC)CC)[NH2+]C1CC1
SubComponent,Please substitute a hydroxyl in the molecule O=C(Nc1cccc(Cl)c1)Nc1cccc2cc(O)ccc12 with a carboxyl.,O=C(Nc1cccc(Cl)c1)Nc1cccc2cc(C(=O)[OH])ccc12
DelComponent,Modify the molecule benzene ring by removing a COC(=O)C1(C)CCN(C(=O)Cc2ccccc2C)C1.,CCC(=O)N1CCC(C)(C(=O)OC)C1
LogP,Optimize the molecule COc1cc(OC)c(C2C(c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1OC to have a lower LogP value.,COc1cc(OC)c(C2C(c3cccs3)=C(O)C(=O)N2c2cccc(F)c2)cc1OC
MR,Please optimize the molecule COc1ccc(F)c(-c2ncc(CO)cc2OC2CCCCO2)c1 to have a higher MR value.,CC(=O)c1ccc(OC)cc1-c1ncc(CO)cc1OC1CCCCO1
QED,Modify the molecule Cc1nn(C)c(C)c1OCC[NH2+]CCC(C)(C)C to increase its QED value.,Cc1nn(C)c(C)c1OC(C#N)C[NH2+]CCC(C)(C)C
AtomNum,"The molecule consists of 27 carbon atoms, 4 oxygen atoms, 6 nitrogen atoms, and 1 fluorine atom.",COc1cc(CNC(=O)C(NC(=O)c2nn(Cc3ccc(C#N)cc3)c3cc(F)ccc23)C(C)(C)C)on1
BondNum,"The molecule consists of 21 single bonds, 5 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCCc1ccc(CN2C=CC3CC(C4C=CC(C(F)(F)F)=CC4)=CC=C32)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 hydroxyl group.",C=CCc1ccc(OCCCC)cc1O
AddComponent,Please add a benzene ring to the molecule CC(C)(C)N=NC(C)(C)CC(=O)[O-].,CC(C)(CC(=O)[O-])N=NC(C)(C)Cc1ccccc1
SubComponent,Substitute a halo in the molecule CCn1cc(N)cc1C(=O)OCc1cccc(Cl)c1Cl with a thiol.,CCn1cc(N)cc1C(=O)OCc1cccc(S)c1Cl
DelComponent,Modify the molecule halo by removing a Cn1c(I)c[nH+]c1NCC(C)(C)C#N.,Cn1cc[nH+]c1NCC(C)(C)C#N
LogP,Please modify the molecule CCn1c2ccccc2c2cc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)ccc21 to decrease its LogP value.,CCn1c2ccccc2c2cc(NC(=O)COc3ccc([SH]=O)c(OC)c3)ccc21
MR,Optimize the molecule CC(C)(C)NC(=S)NN=CC=NNC(=S)NC(C)(C)C to have a lower MR value.,CC(C)(C)NC(=S)NN=CC=NNC(=S)C(C)(C)C
QED,Please modify the molecule CC(Cl)=CC=CC(F)C1C(C(=O)NC2CCCCC2)[NH2+]C2(CCCCC2)C12C(=O)Nc1cc(Cl)ccc12 to decrease its QED value.,CC(=CC=CC(F)C1C(C(=O)NC2CCCCC2)[NH2+]C2(CCCCC2)C12C(=O)Nc1cc(Cl)ccc12)C(=O)[OH]
AtomNum,"The molecule is composed of 22 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",O=C1NC(=O)C2C1C(C=Cc1ccccc1)[NH2+]C2(Cc1ccc(O)cc1)C(=O)[O-]
BondNum,"The molecule contains 10 single bonds, 1 double bond, 1 triple bond, 8 rotatable bonds, and 6 aromatic bonds.",N#CC(CCCCCCc1ccccc1)C(=O)[O-]
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ketone group, and 1 amide group.",CCCCCNC(=O)C1CC[NH+](CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)CC1
AddComponent,Please add a hydroxyl to the molecule Cc1nn(C)c(C)c1C(=O)N1CCCC1C1CC[NH2+]CC1.,Cc1nn(C)c(C)c1C(=O)N1CCCC1C1(O)CC[NH2+]CC1
SubComponent,Please substitute a COc1ccc(CCC(=O)NCC2(O)CC[NH2+]C2)cc1 in the molecule hydroxyl with a thiol.,COc1ccc(CCC(=O)NCC2(S)CC[NH2+]C2)cc1
DelComponent,Modify the molecule benzene ring by removing a CCC[NH2+]C(CN(C)CC1CCCN1C)c1ccccc1.,CCC[NH2+]CCN(C)CC1CCCN1C
LogP,Please modify the molecule COC(=O)C1NC(c2ccccc2OC)N(c2ccc(OC)cc2)C1C(F)(F)F to decrease its LogP value.,COC(=O)C1NC(OC)N(c2ccc(OC)cc2)C1C(F)(F)F
MR,Please modify the molecule [NH3+]CCC1(C(=O)NC(Cc2ccc(NC(=O)C3=C(Cl)CCC=C3Cl)cc2)C(=O)[O-])CCCC1 to decrease its MR value.,[NH3+]CC1CCCC1C(Cc1ccc(NC(=O)C2=C(Cl)CCC=C2Cl)cc1)C(=O)[O-]
QED,Modify the molecule CC(C)(C)c1cc(Cl)cc2c(N)noc12 to have a lower QED value.,CC(C)(C)c1cc(Cl)cc2cnoc12
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",COc1ncccc1NC(C)c1cccc(C#N)c1
BondNum,"Please generate a molecule with 10 single bonds, 1 double bond, 5 rotatable bonds, and 22 aromatic bonds.",Cc1cccc(C)c1COC(=O)c1ccc2ncn(Cc3c(C)cccc3C)c2c1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 1 amide group.",CN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5ccnnc5)cc4n3)cc2)cc1
AddComponent,Modify the molecule CCOC(=O)C([NH3+])C(=O)N1CCC(C)C(C)C1 by adding a hydroxyl.,CCOC(=O)C([NH3+])C(=O)N1CCC(C)C(CO)C1
SubComponent,Please substitute a halo in the molecule COC(=O)c1cc(-c2cc3cc(Cl)cc(OC)c3o2)n[nH]1 with a aldehyde.,CC(=O)c1cc(OC)c2oc(-c3cc(C(=O)OC)[nH]n3)cc2c1
DelComponent,Remove a halo from the molecule COc1cc(C=NNC(=O)c2cccnc2Cl)cc(Cl)c1OCc1ccccc1.,COc1cc(C=NNC(=O)c2cccnc2)cc(Cl)c1OCc1ccccc1
LogP,Please modify the molecule Cc1c(C(=O)NC(CC(F)F)C(=O)[O-])cnn1-c1ccccc1F to decrease its LogP value.,Cc1c(C(=O)NC(CC(F)C#N)C(=O)[O-])cnn1-c1ccccc1F
MR,Please optimize the molecule Cc1cc(C)c(C[NH2+]C(C)C)c(N(C)CC2CC2C)n1 to have a higher MR value.,Cc1cc(C)c(C[NH2+]C(C)CO)c(N(C)CC2CC2C)n1
QED,Modify the molecule O=C(OCCCc1nc(-c2cccnc2)no1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 to have a higher QED value.,O=C(OCCCc1nc(-c2cccnc2)no1)C1CCN(S(=O)(=O)c2cc(F)cc(O)c2F)CC1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=C1[NH+]=C(NN=CC=Cc2ccccc2)SC1CCO
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, and 9 rotatable bonds.",CC=CCCCCCCC(CC)OC
FunctionalGroup,"The molecule has 1 hydroxyl group, and 1 amide group.",C=NC12CCC(C(=O)NOCC(C)NC(=O)OC(C)(C)C)N(C1)C(=O)N2O
AddComponent,Modify the molecule CSC(CO)C(C)[NH2+]CC(O)COc1cc(Cl)ccc1Cl by adding a benzene ring.,CSC(CO)C(C)[NH2+]CC(O)C(Oc1cc(Cl)ccc1Cl)c1ccccc1
SubComponent,Modify the molecule halo by substituting a CCCCOc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(OCC(C)C)c1 with a carboxyl.,CCCCOc1ccc(C(=O)[OH])cc1C(=O)NC(=S)Nc1cccc(OCC(C)C)c1
DelComponent,Please remove a amine from the molecule Fc1ccc(NCc2cccc(Cl)c2F)cc1C(F)(F)F.,Fc1ccc(Cc2cccc(Cl)c2F)cc1C(F)(F)F
LogP,Please modify the molecule COc1ccc(C2(COC(=O)C[N+](C)(C)C)C(=O)c3ccccc3C2=O)cc1 to decrease its LogP value.,COC1(COC(=O)C[N+](C)(C)C)C(=O)c2ccccc2C1=O
MR,Modify the molecule CC(C)Oc1nc(NN)nc(NCC2CCCCS2)n1 to decrease its MR value.,CC(C)Oc1nc(N)nc(NCC2CCCCS2)n1
QED,Please optimize the molecule CN(Cc1ccsc1)c1ncccc1C(N)=S to have a lower QED value.,CN(Cc1csc(-c2ccccc2)c1)c1ncccc1C(N)=S
AtomNum,"The molecule is composed of 24 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 2 silicon atoms.",C=CCC1C(C(C)O[Si](C)(C)C(C)(C)C)C(=O)N1CC#CCO[Si](C)(C)C(C)(C)C
BondNum,"Please generate a molecule consisting 21 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",O=C(c1ccc(OC2CCCC2)nc1)N1CC(S(=O)(=O)NC2CCCC2)C1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, 1 amine group, and 1 halo group.",CNc1nccc(C(=O)NC(C)(C)COC)c1F
AddComponent,Modify the molecule N#Cc1cncc(COc2cc(OC3CCc4c(-c5ccccc5F)cccc43)c(Cl)cc2C[NH2+]C(CO)C(=O)NO)c1 by adding a benzene ring.,N#Cc1cncc(COc2cc(OC3CCc4c(-c5cccc(-c6ccccc6)c5F)cccc43)c(Cl)cc2C[NH2+]C(CO)C(=O)NO)c1
SubComponent,Modify the molecule O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(C(=O)[O-])cc1-c1ccc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1
DelComponent,Remove a benzene ring from the molecule c1ccc(Cn2cc(Oc3ccncc3)cn2)cc1.,Cn1cc(Oc2ccncc2)cn1
LogP,Modify the molecule Cc1cc(N)nc(C)c1CNC(=O)Cc1c(C)ccn(NCc2cc(Cl)ccc2F)c1=O to decrease its LogP value.,Cc1cc(N)nc(C)c1CNC(=O)Cc1c(C)ccn(NCc2cccc(Cl)c2)c1=O
MR,Modify the molecule CCC(CC)NC(=O)c1sc(N(C)CC)nc1N to decrease its MR value.,CCC(CC)NC(=O)c1cnc(N(C)CC)s1
QED,Modify the molecule Cc1ccc(S(=O)(=O)CCC(=O)NCc2nc(-c3ccncc3)cs2)cc1 to decrease its QED value.,Cc1ccc(S(=O)(=O)CCC(=O)NCc2nc(-c3ccncc3)cs2)cc1-c1ccccc1
AtomNum,"Please generate a molecule with 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)CC[NH+]1Cc2cccc(NC(=O)CCC[NH3+])c2C1
BondNum,"The molecule contains 15 single bonds, 3 double bonds, and 4 rotatable bonds.",CSC(SC)=C1CCC(C)C(=C(SC)SC)C1=O
FunctionalGroup,"There is a molecule composed of 1 amide group, and 1 halo group.",CCC(CCCl)CNC(=O)CC(C)C(C)(C)C
AddComponent,Add a hydroxyl to the molecule CCC(Cl)OP(=O)(OCC(C)C)OCC(C)C.,CCC(Cl)OP(=O)(OCC(C)C)OCC(C)CO
SubComponent,Substitute a hydroxyl in the molecule CC=Cc1c(C(=O)[O-])cccc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 with a halo.,CC=Cc1c(C(=O)[O-])cccc1-c1cc(C(C)(C)C)c(F)c(C(C)(C)C)c1
DelComponent,Please remove a amine from the molecule CC(C)Oc1ccc(C(=O)NC(=S)Nc2c(O)ccc3ccccc23)cc1.,CC(C)Oc1ccc(C(=O)NC(=S)c2c(O)ccc3ccccc23)cc1
LogP,Modify the molecule C[NH+](C)CCn1ncc(NC2CC[NH2+]CC2)c(Br)c1=O to have a higher LogP value.,C[NH+](C)CCn1ncc(C2CC[NH2+]CC2)c(Br)c1=O
MR,Optimize the molecule CC(C)CN(CC(O)C(Cc1ccc(OC(C)CCC(=O)[O-])cc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2c(c1)OCO2 to have a lower MR value.,CC(C)CN(CCC(Cc1ccc(OC(C)CCC(=O)[O-])cc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2c(c1)OCO2
QED,Modify the molecule CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(N)=O)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CO)NC(=O)C([NH3+])Cc1ccccc1)C(=O)[O-] to have a higher QED value.,CC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(N)=O)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CO)NC(=O)C([NH3+])Cc1ccccc1)C(=O)[O-]
AtomNum,"The molecule is composed of 12 carbon atoms, and 3 nitrogen atoms.",C=CC([NH3+])N1N=CC=Cc2ccccc21
BondNum,"There is a molecule consisting of 26 single bonds, 3 double bonds, 11 rotatable bonds, and 12 aromatic bonds.",CC(C)(C)OC(=O)CCC1(C(=O)NC2CC2)N=C(c2ccc(OCCCO)cc2)OC1c1ccccc1Br
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",O=C(C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1)NCC1(c2ccccc2)CCOCC1
AddComponent,Modify the molecule Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(Cl)c(C(=O)NCC(C)C)c4)CC3)cc2Cl)cc1 by adding a benzene ring.,Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(Cl)c(C(=O)NCC(C)(C)c5ccccc5)c4)CC3)cc2Cl)cc1
SubComponent,Please substitute a COc1ccc(Cl)c(Nc2cccc(F)c2C#N)c1 in the molecule nitrile with a nitro.,COc1ccc(Cl)c(Nc2cccc(F)c2NO)c1
DelComponent,Modify the molecule amide by removing a CCC(C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(F)(F)F)cc2)cc1)C1(C(=O)NC)CC1.,CCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(NNC(=O)C(F)(F)F)cc3)cc2)CCC1
LogP,Please modify the molecule CC(=O)OC(C)(C)C1C(C(C)O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C to increase its LogP value.,CC(=O)OC(C)(C)C[Si](C)(C)(C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)C
MR,Please optimize the molecule C=C(C)C(=O)OCC(O)(CCCO)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F to have a lower MR value.,C=C(C)C(=O)OCC(O)(CCCO)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)F
QED,Modify the molecule CCCCc1[nH]c(C[NH+]2CC3CCC2CN(C(=O)c2cccnc2)C3)c[nH+]1 to have a lower QED value.,O=C(c1cccnc1)N1CC2CCC(C1)[NH+](Cc1c[nH+]c(CCCCc3ccccc3)[nH]1)C2
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(=O)N1CCCC1C(=O)N1CCCN(C(=O)c2ccsc2)CC1
BondNum,"There is a molecule consisting of 13 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CC(Cc1ccc(F)cc1)[NH2+]CC(=O)N1CCCC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 halo group.",COc1ccc(Br)c(C[NH2+]C2(C)CCC2)c1
AddComponent,Add a hydroxyl to the molecule N#CC(C#N)N=NNc1ccccc1.,N#CC(C#N)N=NNc1ccc(O)cc1
SubComponent,Please substitute a Cc1cccc2c1C(O)(c1ccc3c(c1)OCO3)C(=O)N2Cc1ccc(Cl)cc1 in the molecule halo with a carboxyl.,Cc1cccc2c1C(O)(c1ccc3c(c1)OCO3)C(=O)N2Cc1ccc(C(=O)[OH])cc1
DelComponent,Modify the molecule hydroxyl by removing a COc1ccc2c(c1)C(CO)CC(C)(C)CO2.,COc1ccc2c(c1)C(C)CC(C)(C)CO2
LogP,Please optimize the molecule CCOCc1cccc(C(=O)OC)n1 to have a higher LogP value.,CCOCc1cccc(C(=O)OCc2ccccc2)n1
MR,Modify the molecule CCCNC(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)NC(C)CC)ccc3Cl)CC2)cc1Cl to have a higher MR value.,CCC(C)NC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccc(C(=O)NCC(C)C(=O)O)c(Cl)c3)CC2)c1
QED,Modify the molecule CSCCCNS(=O)(=O)CCCCCl to have a higher QED value.,CSCCCNS(=O)(=O)CCCC(Cl)c1ccccc1
AtomNum,"The molecule is composed of 18 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 chlorine atoms.",Clc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3o2)cc1
BondNum,"The molecule has 15 single bonds, 3 double bonds, and 2 rotatable bonds.",O=C([O-])C1C=CC(NC(=O)N2CCCCC2)C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",O=NC1C(=O)N(c2ccccc2)c2ccccc21
AddComponent,Add a amine to the molecule CN(N=CCCCC=O)[Si](C)C.,CN(N=CCCC(N)C=O)[Si](C)C
SubComponent,Please substitute a halo in the molecule O=C(Cc1ccsc1)NC1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 with a nitro.,ONC(F)(F)c1ccc(OC2CCC(NC(=O)Cc3ccsc3)CC2)nc1
DelComponent,Remove a benzene ring from the molecule CC(c1ccccc1)S(=O)CC1C[NH2+]C1.,CCS(=O)CC1C[NH2+]C1
LogP,Optimize the molecule Clc1nc(NCC2CCOCC2)nc(-n2cccn2)n1 to have a lower LogP value.,O=C([OH])c1nc(NCC2CCOCC2)nc(-n2cccn2)n1
MR,Optimize the molecule O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cccc(N2CCCCC2)c1 to have a higher MR value.,NC1CCCCN1c1cccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1
QED,Please optimize the molecule CC1(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CCC[NH2+]C1 to have a lower QED value.,CC1(C(=O)Nc2cc(O)c3c(c2)C(=O)NC3=O)CCC[NH2+]C1
AtomNum,"The molecule has 15 carbon atoms, 1 nitrogen atom, 1 fluorine atom, and 1 chlorine atom.",C[NH2+]Cc1ccc(Cl)cc1-c1cc(C)cc(F)c1
BondNum,"The molecule contains 9 single bonds, 3 double bonds, 1 triple bond, 4 rotatable bonds, and 6 aromatic bonds.",CC(=O)OC(C#N)(C(C)=O)c1ccccc1C(C)=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 2 hydroxyl groups.",Cc1cc(C([NH3+])C(C)O)ccc1O
AddComponent,Please add a benzene ring to the molecule CCn1c(-c2ccc(C(F)(F)F)cc2Cl)nc(C)c(N2CC(OC)CC2COC)c1=O.,COCC1CC(OC)CN1c1c(C)nc(-c2ccc(C(F)(F)F)cc2Cl)n(CCc2ccccc2)c1=O
SubComponent,Please substitute a halo in the molecule O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC(Oc2ccc(Br)cn2)C1 with a hydroxyl.,O=C(c1cc(-c2ccc(O)cc2)c[nH]1)N1CCC(Oc2ccc(Br)cn2)C1
DelComponent,Please remove a halo from the molecule Cc1oc2c(c1CC(=O)N=c1scc(-c3ccc(OC(F)(F)F)c(Cl)c3)n1COC(=O)C1CC[NH2+]CC1)C(=O)N(C)CN2C.,Cc1oc2c(c1CC(=O)N=c1scc(-c3ccc(OC(F)(F)F)cc3)n1COC(=O)C1CC[NH2+]CC1)C(=O)N(C)CN2C
LogP,Modify the molecule Oc1ccccc1C(C(F)F)C1CCOCC1 to decrease its LogP value.,OC(C(F)F)C1CCOCC1
MR,Modify the molecule C=CCOC(C)C(=O)OCC(=O)N1CCN(c2ncccn2)CC1 to decrease its MR value.,C=CCOC(C)C(=O)OC1CCN(c2ncccn2)C1
QED,Please optimize the molecule N#Cc1ccc(S(=O)(=O)N2CCCCC2N=C=O)cc1 to have a lower QED value.,O=C=NC1CCCCN1S(=O)(=O)c1ccccc1
AtomNum,"The molecule consists of 26 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",Cc1ccccc1-c1cccc2c(CCCOc3cccc(Cl)c3C)c(C(=O)[O-])[nH]c12
BondNum,"Please generate a molecule consisting 11 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",CC1(C)COc2ccc(C(Br)c3ccc(Br)c(F)c3)cc21
FunctionalGroup,"Please generate a molecule with 1 amine group, 1 thioether group, and 1 sulfide group.",CCCSc1nnc(CC)n1N
AddComponent,Add a hydroxyl to the molecule Clc1ccc(COc2ccc(Nc3ncnc4ccc(Br)cc34)cc2)cc1.,Oc1cc(Br)cc2c(Nc3ccc(OCc4ccc(Cl)cc4)cc3)ncnc12
SubComponent,Substitute a CCC([NH2+]C1CCCC(O)C1)c1ccc(C)cc1 in the molecule hydroxyl with a halo.,CCC([NH2+]C1CCCC(Cl)C1)c1ccc(C)cc1
DelComponent,Modify the molecule amide by removing a CC(=NNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2.,CC(=NN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2
LogP,Modify the molecule [NH3+]C1(c2[nH]nc3ccc(C(F)(F)F)cc23)CC1 to decrease its LogP value.,[NH3+]C1(c2[nH]nc3ccc(C(F)F)cc23)CC1
MR,Modify the molecule Nc1nnc(C(=O)N2CCN(c3ccccc3F)CC2)s1 to have a lower MR value.,Nc1nn2CCN(c3ccccc3F)CC2s1
QED,Modify the molecule O=C1c2ccccc2C(=O)C1(Nc1ccccc1F)c1ccccc1 to have a higher QED value.,O=C1c2ccccc2C(=O)C1(Nc1ccccc1)c1ccccc1
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 3 nitrogen atoms, and 1 chlorine atom.",NC(=[NH2+])c1c(Cl)cccc1NC1CC1
BondNum,"The molecule contains 10 single bonds, 2 double bonds, 6 rotatable bonds, and 54 aromatic bonds.",c1ccc(C2=[NH+]C(c3cccc(-c4cccc5c4c4cc(-c6ccccc6)ccc4n5-c4ccc5c(c4)sc4ccccc45)c3)=[NH+]C(c3ccccc3)N2)cc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 halo group.",COc1ccc(OC)c(CN(CCO)C(=O)C2CC2c2cccc(Br)c2)c1
AddComponent,Modify the molecule Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(C(=O)N3CCCC(C)C3)cc2)CC1 by adding a carboxyl.,Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc(C(=O)N3CCCC(C)C3)cc2C(=O)O)CC1
SubComponent,Substitute a COc1cc2ccn(CCCO)c2cc1Cl in the molecule halo with a carboxyl.,COc1cc2ccn(CCCO)c2cc1C(=O)[OH]
DelComponent,Modify the molecule CC1NC(=O)C(C(C)C)OC(=O)C(C)(COC(F)F)C=Cc2ccc3ccc(nc3c2)C(C)NC(=O)C2CCCN(N2)C1=O by removing a amide.,CC1NC(=O)C2CCCN(C(=O)C(C(C)C)OC(=O)C(C)(COC(F)F)C=Cc3ccc4ccc1nc4c3)N2C
LogP,Please optimize the molecule CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N3CC=C(c4ccccc4)CC3)cc2CC1C to have a lower LogP value.,CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N3CC=CCC3)cc2CC1C
MR,Modify the molecule CCCCCCCc1ccc(-c2ccc(C(=O)C(=O)[O-])cc2)cc1 to increase its MR value.,CCCC(O)CCCc1ccc(-c2ccc(C(=O)C(=O)[O-])cc2)cc1
QED,Please modify the molecule CCNC(NCCc1c[nH]c2cc(C)ccc12)=[NH+]CC(O)c1ccc(OC)c(OC)c1 to decrease its QED value.,CCNC(NCCc1c[nH]c2cc(C)ccc12)=[NH+]CC(O)(OC)OC
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 bromine atom.",Brc1cnccc1Oc1ccccc1
BondNum,"There is a molecule consisting of 22 single bonds, 1 double bond, 9 rotatable bonds, and 6 aromatic bonds.",CC(=O)Oc1cc(C(C)(C)C)c(OCCC(C)CCCC(C)C)cc1C(C)(C)C
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,Cc1cccc(OCc2cc(C(=O)[O-])n[nH]2)c1C
AddComponent,Please add a benzene ring to the molecule Cc1csc(CNc2ccc(Cl)cc2C(F)(F)F)n1.,Cc1csc(CNc2cc(-c3ccccc3)c(Cl)cc2C(F)(F)F)n1
SubComponent,Please substitute a halo in the molecule CCCC(CS)(CCC)Cn1c(C)ncc(Br)c1=O with a nitrile.,CCCC(CS)(CCC)Cn1c(C)ncc(C#N)c1=O
DelComponent,Please remove a halo from the molecule CC(C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C.,CC(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
LogP,Please modify the molecule CC1CCCCC1N(C)c1nc(Cl)nc2[nH]ncc12 to decrease its LogP value.,CC1CCCCC1N(C)c1ncnc2[nH]ncc12
MR,Please optimize the molecule COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C1=Cc1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 to have a lower MR value.,CC=C(C(=O)OC)C(Cc1ccccc1)c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1
QED,Modify the molecule Clc1ccn2c(c1)nc1ccsc12 to have a lower QED value.,c1ccn2c(c1)nc1ccsc12
AtomNum,"The molecule has 12 carbon atoms, 1 nitrogen atom, and 1 fluorine atom.",Cc1cc(C2([NH3+])CC2(C)C)ccc1F
BondNum,"Please generate a molecule composed of 13 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)OC)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 3 amine groups.",C[NH+]=C(NCCCCNc1ccccn1)N1CCN(c2cccc(OC)c2)CC1
AddComponent,Add a benzene ring to the molecule Cc1cccc(-n2ncc(C(=O)NC(C)C(=O)[O-])c2C(F)(F)F)c1.,CC(NC(=O)c1cnn(-c2cccc(Cc3ccccc3)c2)c1C(F)(F)F)C(=O)[O-]
SubComponent,Please substitute a C[NH+](C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccc(F)cc2)C1 in the molecule halo with a carboxyl.,C[NH+](C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccc(C(=O)[OH])cc2)C1
DelComponent,Modify the molecule COc1ccc(-c2cnc3c(NC4CC[NH2+]CC4)snc3c2)cc1OC by removing a amine.,COc1ccc(-c2cnc3c(C4CC[NH2+]CC4)snc3c2)cc1OC
LogP,Please optimize the molecule C[NH2+]CC1OC(OC2C(CO)OC(Oc3c4cc5cc3Oc3ccc(cc3Cl)C(O)C(NC(=O)C(CC(C)C)[NH+](C)C)C(=O)NC(CC(N)=O)C(=O)NC5C(=O)NC3C(=O)NC(C(=O)NC(C(C)=O)c5cc(O)c(C)c(O)c5-c5cc3ccc5O)C(O)c3ccc(c(Cl)c3)O4)C(O)C2O)C(O)C(O)C1O to have a higher LogP value.,C[NH2+]CC1OC(OC2C(CO)OC(Oc3c4cc5cc3Oc3ccc(cc3Cl)C(O)N3C(=O)C(NC(=O)C5NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)[NH+](C)C)C(O)c5ccc(c(Cl)c5)O4)c4ccc(O)c(c4)-c4c(cc(O)c(C)c4O)C3C(C)=O)C(O)C2O)C(O)C(O)C1O
MR,Optimize the molecule COc1cc(Cl)c(C)cc1NC(=O)C1(C(=O)Nc2ccccc2)CC1 to have a higher MR value.,COc1cc(NO)c(C)cc1NC(=O)C1(C(=O)Nc2ccccc2)CC1
QED,Modify the molecule NC(=[NH2+])c1ccc(C[NH+]2CCN(CCCOc3ccc(C(N)=[NH2+])cc3)CC2)cc1 to have a higher QED value.,NC(=[NH2+])OCCCN1CC[NH+](Cc2ccc(C(N)=[NH2+])cc2)CC1
AtomNum,"Please generate a molecule consisting 37 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 3 fluorine atoms.",Cc1cc(-c2ccccc2)n(-c2ccc(CNC(=O)c3cc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)cn3C)cc2)n1
BondNum,"The molecule has 16 single bonds, 2 double bonds, and 7 rotatable bonds.",COC(C[NH3+])CC(=O)N(CC(N)=O)C1CCCC1
FunctionalGroup,"Please generate a molecule consisting 1 ester group, 1 amide group, and 1 sulfide group.",CCn1nc(C)cc1C(=O)Nc1nc(C)c(C(=O)OC)s1
AddComponent,Modify the molecule [NH3+]Cc1ccn(-c2ccc(Cl)cc2[N+](=O)[O-])n1 by adding a carboxyl.,[NH3+]Cc1cc(C(=O)O)n(-c2ccc(Cl)cc2[N+](=O)[O-])n1
SubComponent,Please substitute a hydroxyl in the molecule CCC1(C)OC(O)C(O)C1C with a halo.,CCC1(C)OC(Cl)C(O)C1C
DelComponent,Modify the molecule O=C(Cc1cccc(F)c1)Nc1ccccc1OC(F)F by removing a halo.,O=C(Cc1cccc(F)c1)Nc1ccccc1OCF
LogP,Please optimize the molecule Cc1sc(=O)[nH]c1-c1ccccn1 to have a lower LogP value.,Cc1sc(=O)[nH]c1-c1cc(O)ccn1
MR,Modify the molecule Cc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 to have a higher MR value.,Cc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1
QED,Please optimize the molecule CC1(CNC(=O)CC(O)c2ccccc2)CCCS1 to have a lower QED value.,CC1(CNC(=O)CC(S)c2ccccc2)CCCS1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)n1ncnc1CC1=CC(=O)CCCC1
BondNum,"There is a molecule with 8 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",CCNc1cc(Nc2cc(C)cc(C)c2)nc(N)n1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 1 amide group, 1 halo group, 1 thioether group, and 1 sulfide group.",Cc1ccc(-c2nnc(SCC(=O)NCc3ccccc3F)n2-c2ccccc2)cc1
AddComponent,Modify the molecule Cc1[nH]c2ccccc2c1S(=O)(=O)NC(CCn1cccc1N)C(=O)N1CCC(C)CC1 by adding a hydroxyl.,Cc1[nH]c2ccccc2c1S(=O)(=O)NC(CCn1cccc1N)C(=O)N1CCC(C)(O)CC1
SubComponent,Substitute a CCOc1ccc(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 in the molecule halo with a nitrile.,CCOc1ccc(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1
DelComponent,Please remove a CCOc1cc(C)nc(NCc2ccc(F)c(Cl)c2)n1 from the molecule halo.,CCOc1cc(C)nc(NCc2ccc(F)cc2)n1
LogP,Modify the molecule CC(C)(C)CC([NH3+])CC(=O)Nc1cc(Cl)ccc1F to have a lower LogP value.,CC(C)(C)CC([NH3+])CC(=O)Nc1cc(Cl)c(O)cc1F
MR,Please optimize the molecule CCOC(=O)c1coc2c1C(=O)C(C)(C#N)CC2 to have a lower MR value.,CCOC(=O)c1coc2c1C(=O)C(C)CC2
QED,Please modify the molecule Nc1cncc(NC2CC[NH+]3CCCCC23)c1 to increase its QED value.,Nc1cncc(C2CC[NH+]3CCCCC23)c1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 2 nitrogen atoms, and 1 fluorine atom.",N#CC1CCCCCC1NCc1cccc(F)c1
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, and 3 rotatable bonds.",O=C1CCCC1C1CCC[NH+]1CCO
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",O=C(Cc1ccccc1F)Nc1ccc(NCCc2ccccc2)cn1
AddComponent,Please add a hydroxyl to the molecule CC(C)(C)C(=O)Cc1cc2cc(N3CC[NH+](CCCCc4c[nH]c5ccc(C#N)cc45)CC3)ccc2oc1=O.,CC(C)(C)C(=O)Cc1cc2cc(N3CC[NH+](CCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc(O)c2oc1=O
SubComponent,Substitute a CCN(C(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1)C1=CCCCC1 in the molecule halo with a hydroxyl.,CCN(C(=O)CSc1ncnc2c1cnn2-c1ccc(O)cc1)C1=CCCCC1
DelComponent,Modify the molecule CC(C)OC(=O)C(O)C([NH3+])CCc1ccccc1 by removing a benzene ring.,CCC([NH3+])C(O)C(=O)OC(C)C
LogP,Please modify the molecule Nc1cc(Br)cc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1 to increase its LogP value.,Nc1cc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)cc(Br)c1-c1ccccc1
MR,Please optimize the molecule CC(C)COCCOc1cccc(C[NH3+])c1 to have a lower MR value.,CC(C)COCCOC[NH3+]
QED,Optimize the molecule O=C(NC1CCCC([NH+]2CCOCC2)C1O)c1cnccn1 to have a higher QED value.,O=C(NC1CCCC([NH+]2CCOC(c3ccccc3)C2)C1O)c1cnccn1
AtomNum,"There is a molecule composed of 15 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CC(C)(C)c1cc(CNC(=O)Cn2ccc(=O)cc2)[nH]n1
BondNum,"The molecule contains 20 single bonds, 3 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(NC(=O)CC)cc3)C2c2ccc(O)c(OCC)c2)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, and 3 halo groups.",OC(COCC(F)(F)F)c1ccc(C2CCCCC2)cc1
AddComponent,Add a benzene ring to the molecule CCC(C(=O)Nc1ccc2[nH]c(C(=O)[O-])cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O.,CCC(C(=O)Nc1ccc2[nH]c(C(=O)[O-])cc2c1-c1ccccc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
SubComponent,Please substitute a halo in the molecule CCCn1cccc1CNc1cccc(C)c1Cl with a nitro.,CCCn1cccc1CNc1cccc(C)c1NO
DelComponent,Please remove a amide from the molecule Cn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)[nH+]c1C(=O)N1CCN(c2ccc(Br)cn2)CC1.,Cn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)[nH+]2CCN(c3ccc(Br)cn3)CC12
LogP,Optimize the molecule NC(=O)CN(CC(N)=O)c1ccc(C=O)cc1F to have a higher LogP value.,NC(=O)CN(CC(N)=O)c1ccc(C=O)cc1S
MR,Please modify the molecule CCCCCCCCCCCCS(=O)(=O)NCCC[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] to increase its MR value.,CCCCCCCCCCCC(O)S(=O)(=O)NCCC[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]
QED,Optimize the molecule CC1CC1(C#N)c1c(Cl)cccc1Cl to have a lower QED value.,CC1CC1c1c(Cl)cccc1Cl
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COc1cc(-c2nc(=S)n(C)[nH]2)ccc1[N+](=O)[O-]
BondNum,"The molecule contains 18 single bonds, 1 double bond, 8 rotatable bonds, and 18 aromatic bonds.",COc1ccc(CCN2C(=O)NCC2([NH2+]Cc2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
FunctionalGroup,"Please generate a molecule composed of 2 amine groups, and 1 halo group.",CC1(CNc2ccnc(-c3nc(N)ncc3Cl)n2)CCOCC1
AddComponent,Add a nitrile to the molecule CC[NH+](CCNc1nc(C)ncc1C(=O)[O-])C1CC1.,CC[NH+](CCNc1nc(C)ncc1C(=O)[O-])C1CC1C#N
SubComponent,Substitute a halo in the molecule Cc1cc(CC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C)n1C with a nitro.,Cc1cc(CC(=O)N2CCCN(C(=O)c3cccc(NO)c3)CC2)c(C)n1C
DelComponent,Please remove a Cn1c(N=C(c2ccccc2)c2ccccc2)c(Br)c2ccccc21 from the molecule benzene ring.,Cn1c(N=Cc2ccccc2)c(Br)c2ccccc21
LogP,Optimize the molecule CC(C)n1c(CC2COCC[NH2+]2)nc2ccc(F)cc21 to have a higher LogP value.,CC(C)n1c(CC2COCC[NH2+]2)nc2ccc(S)cc21
MR,Please optimize the molecule Cc1cc(NCC(=O)[O-])c2ccc3cccnc3c2[nH+]1 to have a lower MR value.,Cc1cc(CC(=O)[O-])c2ccc3cccnc3c2[nH+]1
QED,Please optimize the molecule CC(NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc2c(c1)CCCC2 to have a lower QED value.,CC(=O)c1ccccc1C[NH+]1CCC(C(=O)NC(C)c2ccc3c(c2)CCCC3)CC1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",CCOc1cc(C)cc(N2CCN(C(=O)C=CC(F)(F)F)CC2)n1
BondNum,"Please generate a molecule composed of 17 single bonds, 1 double bond, 10 rotatable bonds, and 6 aromatic bonds.",CCCOC(C)(C(=O)Nc1ccc(OCCOC)cc1)C1CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 1 amine group, 3 halo groups, and 1 sulfone group.",CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(OCC(F)(F)F)nc1
AddComponent,Please add a benzene ring to the molecule COCc1ccc(C(C[NH3+])N(C)CC2CCOCC2)cc1.,COCc1ccc(C(C[NH3+])N(C)CC2CCOCC2)c(-c2ccccc2)c1
SubComponent,Please substitute a CC[NH+]1CCc2cc(C([NH3+])CCO)ccc2C1 in the molecule hydroxyl with a nitrile.,CC[NH+]1CCc2cc(C([NH3+])CCC#N)ccc2C1
DelComponent,Remove a N#Cc1cc(C(F)F)c(CBr)c([N+](=O)[O-])n1 from the molecule nitrile.,O=[N+]([O-])c1nccc(C(F)F)c1CBr
LogP,Please optimize the molecule Cc1ccccc1NS(=O)(=O)c1cc(CO)cc(C)c1C to have a higher LogP value.,Cc1ccccc1NS(=O)(=O)c1cc(CF)cc(C)c1C
MR,Please modify the molecule O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(O)c2)c1 to decrease its MR value.,N#Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(O)c1
QED,Please modify the molecule CC1(C)C[NH+](CCNc2cc[nH+]c3c(F)cccc23)CCO1 to decrease its QED value.,CC1(C)C[NH+](CCNc2cc(-c3ccccc3)[nH+]c3c(F)cccc23)CCO1
AtomNum,"There is a molecule with 15 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCC[NH2+]CCC1(OCCC(C)(C)OC)CCC1
BondNum,"There is a molecule with 7 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCNc1nccc(CSc2ccccc2C)n1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ester group, and 1 amide group.",COC(=O)C(NC(=O)c1ccccc1)n1[nH]c(=O)n(-c2ccccc2)c1=O
AddComponent,Modify the molecule C=CC(CC(CC)CCc1ccccc1)CC(O)C(C1CCCCC1)C1OC(CC)C2CCCCC2C1=C by adding a carboxyl.,C=CC(CC(CCC(=O)O)CCc1ccccc1)CC(O)C(C1CCCCC1)C1OC(CC)C2CCCCC2C1=C
SubComponent,Please substitute a halo in the molecule Cc1ccc(-c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2-c2ccc(Cl)cc2)cc1 with a carboxyl.,Cc1ccc(-c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2-c2ccc(C(=O)[OH])cc2)cc1
DelComponent,Please remove a benzene ring from the molecule CCOc1ccc(NC(=O)c2cc(OCc3ccccc3)no2)cc1.,CCOc1ccc(NC(=O)c2cc(OC)no2)cc1
LogP,Optimize the molecule CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CC1CCS(=O)S1 to have a higher LogP value.,CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c(-c2ccccc2)c1NC(=O)CC1CCS(=O)S1
MR,Modify the molecule O=C(c1cccc(NC(=O)C(F)(F)F)c1)c1cccc(NC(=O)C(F)(F)F)c1 to increase its MR value.,O=C(c1cccc(NC(=O)C(O)(F)F)c1)c1cccc(NC(=O)C(F)(F)F)c1
QED,Modify the molecule COC(=O)c1cncc(-c2cccc([N+](=O)[O-])c2)c1 to decrease its QED value.,COC(=O)c1cncc(-c2cc([N+](=O)[O-])ccc2-c2ccccc2)c1
AtomNum,"The molecule consists of 17 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",O=S(=O)(NCC1CCN(c2ccccn2)CC1)c1cc(F)ccc1F
BondNum,"The molecule has 11 single bonds, 3 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1
FunctionalGroup,"The molecule has 1 ester group, and 4 halo groups.",COc1ccc2cc(Br)ccc2c1CC(=O)OCC(F)(F)F
AddComponent,Modify the molecule C[NH+](C)CC1CCN(c2ncc[nH]c2=O)CC1 by adding a carboxyl.,C[NH+](C)CC1CCN(c2ncc[nH]c2=O)CC1C(=O)O
SubComponent,Modify the molecule nitrile by substituting a N#Cc1ccc(F)cc1COCCC1CC[NH2+]C1 with a hydroxyl.,Oc1ccc(F)cc1COCCC1CC[NH2+]C1
DelComponent,Remove a halo from the molecule N#Cc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(F)cc2)cc1.,N#Cc1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2)cc1
LogP,Please modify the molecule CCCCCCC(NN)c1ccccc1Br to decrease its LogP value.,CCCCCCC(Br)NN
MR,Modify the molecule COc1cccc(C(Sc2ncco2)C(C)[NH3+])c1 to increase its MR value.,COc1cccc(C(Sc2ncc(-c3ccccc3)o2)C(C)[NH3+])c1
QED,Optimize the molecule COCc1ccccc1C([NH2+]CCN=[N+]=[N-])C(=O)OC to have a lower QED value.,COCC([NH2+]CCN=[N+]=[N-])C(=O)OC
AtomNum,"The molecule is composed of 12 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",COC(=O)C(NS(=O)(=O)c1cc(N)cc(F)c1F)C(C)C
BondNum,"There is a molecule with 14 single bonds, 1 double bond, 9 rotatable bonds, and 6 aromatic bonds.",CCC(C)NC(=O)CC[NH2+]C(CC)c1ccc(OC)cc1
FunctionalGroup,Please generate a molecule with and 1 ketone group.,CC(=O)CCCC[NH+](C)C1CCCCCC1
AddComponent,Please add a carboxyl to the molecule CCCCC[NH+](C)CC1=C(C(=O)[O-])N2C(=O)C([NH3+])C2SC1.,C[NH+](CCCCCC(=O)O)CC1=C(C(=O)[O-])N2C(=O)C([NH3+])C2SC1
SubComponent,Please substitute a Nc1ccc(Cl)c(CS(=O)c2ccccc2F)c1 in the molecule halo with a nitrile.,N#Cc1ccc(N)cc1CS(=O)c1ccccc1F
DelComponent,Modify the molecule benzene ring by removing a CCOC(=O)COc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1.,CCOC(=O)COC=C(Sc1n[nH]c(C)n1)C(=O)[O-]
LogP,Please modify the molecule C=CCS(=O)(=O)C(C)C(=O)Nc1c(F)cccc1F to decrease its LogP value.,C=CCS(=O)(=O)C(C)C(=O)Nc1c(F)ccc(O)c1F
MR,Modify the molecule Cc1c(Oc2ccc(Br)cc2F)ncnc1OC1CCN(OC(=O)OC(C)C)CC1 to have a lower MR value.,Cc1c(Oc2ccc(O)cc2F)ncnc1OC1CCN(OC(=O)OC(C)C)CC1
QED,Modify the molecule Cc1ccsc1C[NH+]1CCCC(C(=O)NN)C1 to have a higher QED value.,Cc1ccsc1C[NH+]1CCCC(C(N)=O)C1
AtomNum,"The molecule is composed of 25 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",COc1cccc(N2CC[NH+](CC(=O)NC(C)c3ccc4ccccc4c3)CC2)c1
BondNum,"Please generate a molecule composed of 10 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",O=C(NCC1(O)CCOC1)c1ccoc1
FunctionalGroup,"The molecule contains 3 benzene ring groups, 1 amide group, and 1 sulfide group.",CCCC(CCC)c1ccc(OCc2ccc(-c3csc(C[NH+](CC(=O)[O-])CC(=O)Nc4ccc(C(C)C)cc4)c3)cc2)cc1
AddComponent,Modify the molecule Cc1cc(N(C=O)c2cc(OCCc3c(Cl)ccc(F)c3Cl)c(N)nn2)c[nH]c1=O by adding a amine.,Cc1cc(N(C=O)c2cc(OC(N)Cc3c(Cl)ccc(F)c3Cl)c(N)nn2)c[nH]c1=O
SubComponent,Please substitute a halo in the molecule CSc1cc2ccc(Cl)c(O)c2s1 with a nitro.,CSc1cc2ccc(NO)c(O)c2s1
DelComponent,Remove a O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC1C=CC(CO)C1 from the molecule amide.,OCC1C=CC(C[NH+]2CCN(c3ccccc3)CC2)C1
LogP,Modify the molecule Cc1cc(Oc2ncccc2Cl)ccc1Br to have a lower LogP value.,Cc1cc(Oc2ncccc2Cl)cc(O)c1Br
MR,Modify the molecule Oc1cccc2ccc(CNCl)nc12 to decrease its MR value.,NCc1ccc2cccc(O)c2n1
QED,Modify the molecule CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)CCC)ccc21 to decrease its QED value.,CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)CC(C)CC=O)ccc21
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(N3CCC(C)=N3)cc2)cs1
BondNum,"There is a molecule consisting of 16 single bonds, 1 double bond, 8 rotatable bonds, and 11 aromatic bonds.",CC(C)COc1ccccc1CN(C)C(=O)NCc1cncn1C1CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 halo group, and 1 sulfide group.",CCC([NH2+]C(C)Cc1ccc(F)cc1)c1nccs1
AddComponent,Add a amine to the molecule CCC(COC)[NH2+]CCCCC(F)(F)F.,CCC(COC)[NH2+]C(N)CCCC(F)(F)F
SubComponent,Modify the molecule halo by substituting a CCC(CO)CN(C)c1cc(Br)ccc1F with a thiol.,CCC(CO)CN(C)c1cc(S)ccc1F
DelComponent,Remove a O=C(Nc1cc2ccccc2oc1=O)c1ccccc1NCc1ccc(=O)[nH]c1 from the molecule amine.,O=C(Nc1cc2ccccc2oc1=O)c1ccccc1Cc1ccc(=O)[nH]c1
LogP,Please modify the molecule COc1ccc(CCC(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)cc1OC to decrease its LogP value.,COc1ccc(CCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1OC
MR,Optimize the molecule O=C1CCCCN(S(=O)(=O)c2ccccn2)C1 to have a higher MR value.,O=C1CCCCN(S(=O)(=O)c2ncccc2-c2ccccc2)C1
QED,Optimize the molecule NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(NC(=O)c3c(N)cccc3Cl)cc1-2 to have a higher QED value.,NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(NC(=O)c3ccccc3N)cc1-2
AtomNum,"There is a molecule consisting of 30 carbon atoms, 4 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",COc1cc(OC)c(-c2cn3ccc(N4CCN(CCN5CC[NH2+]CC5C(=O)OC(C)(C)C)CC4)cc3[nH+]2)cc1Cl
BondNum,"Please generate a molecule with 17 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CN(C)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-]
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 1 hydroxyl group.",COc1cccc(C(O)C(C)Oc2ccccc2OC)c1
AddComponent,Please add a benzene ring to the molecule C=C(CO)C(=O)OCCC(CCCC1CCC(C2CCC(c3ccc4cc(CCCCC)ccc4c3)CC2)CC1)CC1CO1.,C=C(CO)C(=O)OCCC(CC1CO1)C(CCC1CCC(C2CCC(c3ccc4cc(CCCCC)ccc4c3)CC2)CC1)c1ccccc1
SubComponent,Substitute a halo in the molecule CCC[NH2+]C(c1c(Cl)cnn1CCC)C1CC1 with a aldehyde.,CC(=O)c1cnn(CCC)c1C([NH2+]CCC)C1CC1
DelComponent,Please remove a benzene ring from the molecule CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1.,CCCSc1nn(-c2ccccc2)cc1C=C1C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C1C
LogP,Modify the molecule CCCC[Si](C)(C)C1(n2cnc3c(N)ncnc32)OC(CO)C(O)C1O to have a higher LogP value.,CCCC[Si](C)(C)C1(n2cnc3c(N)ncnc32)OC(CO)CC1O
MR,Modify the molecule CC(CN1CC(c2cccc(F)c2)NC1=O)C(=O)[O-] to have a higher MR value.,CC(CN1CC(c2ccccc2)NC1=O)C(=O)[O-]
QED,Please modify the molecule CC1=CC(C)(C)N(C)c2cc(C)c(C=C3SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc21 to decrease its QED value.,CC1=CC(C)(C)N(C)c2cc(C)c(C(O)=C3SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc21
AtomNum,"The molecule has 14 carbon atoms, 1 sulfur atom, 2 fluorine atoms, 1 chlorine atom, and 1 bromine atom.",CSc1ccc(C(Br)c2cc(F)c(F)cc2Cl)cc1
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 2 halo groups.",Cc1ccc(F)c(C(C)([NH3+])c2ccc(Cl)cc2)c1
AddComponent,Add a hydroxyl to the molecule c1ccc([Se]c2ccc3c(c2)Cc2ccccc2-3)cc1.,Oc1ccc([Se]c2ccc3c(c2)Cc2ccccc2-3)cc1
SubComponent,Please substitute a C=CCC(NC(=O)N1CC(CO)OC(C)(C)C1)C(=O)[O-] in the molecule hydroxyl with a aldehyde.,CC(=O)CC1CN(C(=O)NC(CC=C)C(=O)[O-])CC(C)(C)O1
DelComponent,Please remove a amide from the molecule Cc1cc(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC(C)C)c3)CC2)ccc1NC(=O)c1ccccc1Cl.,Cc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC(C)C)c3)CC2)ccc1NC(=O)c1ccccc1Cl
LogP,Please modify the molecule CCN(Cc1cccs1)c1ccc(C(C)O)cc1 to increase its LogP value.,CCc1ccc(N(CC)Cc2cccs2)cc1
MR,Please optimize the molecule C=CCNC(NCC(=O)N(C)C)=[NH+]Cc1ccccc1F to have a higher MR value.,C=CCNC(NCC(=O)N(C)C)=[NH+]Cc1ccccc1S
QED,Please modify the molecule CCN(C(=O)OCCCc1ccccc1OC)c1ccccc1 to decrease its QED value.,CCN(C(=O)OCCCc1ccccc1OC)c1ccccc1-c1ccccc1
AtomNum,"The molecule has 12 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, 1 chlorine atom, and 1 bromine atom.",CC(C)c1nc(Cl)cc(Sc2ncccc2Br)n1
BondNum,"Please generate a molecule composed of 13 single bonds, 2 double bonds, and 10 aromatic bonds.",Cc1cc2ncc3c(n2n1)CCN(C(=O)N1CCNC1=O)C3
FunctionalGroup,Please generate a molecule composed of and 1 halo group.,ICCC[NH2+]CC1CCOCC1
AddComponent,Modify the molecule Cc1ccccc1CNC(=O)C1CCC(CO)CC1 by adding a amine.,NCc1ccccc1CNC(=O)C1CCC(CO)CC1
SubComponent,Modify the molecule halo by substituting a C[NH2+]C1c2cc(F)cc(Cl)c2CSCC1C with a aldehyde.,CC(=O)c1cc(Cl)c2c(c1)C([NH2+]C)C(C)CSC2
DelComponent,Remove a halo from the molecule COc1ccc(NC(=O)c2ccoc2Cl)c(C)c1.,COc1ccc(NC(=O)c2ccoc2)c(C)c1
LogP,Modify the molecule CC1COC2(OC3C(=O)C4C5CC=C6CC(O)CC(OC7OCC(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6(C)C5CCC4(C)C3C2C)C(O)C1O to have a higher LogP value.,CC1OC(OC2C(OC3CC(O)CC4=CCC5C6C(=O)C7OC8(OCC(C)(S)C(O)C8O)C(C)C7C6(C)CCC5C43C)OCC(O)C2O)C(O)C(O)C1O
MR,Modify the molecule O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl to increase its MR value.,NC1CN(S(=O)(=O)c2ccc(Cl)c(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)CCO1
QED,Please modify the molecule CCC[NH+](C)Cc1ccc(C[NH2+]C(C)C)cc1 to decrease its QED value.,CCC[NH+](C)Cc1ccc(C([NH2+]C(C)C)C(=O)O)cc1
AtomNum,"The molecule has 7 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 2 sulfur atoms, and 3 fluorine atoms.",CSc1nc(OCC(F)(F)F)nc(SC)n1
BondNum,"The molecule contains 9 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",CCC(C)(C#N)NC(=O)c1ccc(Br)c(C)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",Cc1c(Br)cccc1C(=O)NCC(C(C)C)C(C)C
AddComponent,Please add a benzene ring to the molecule CCN1CCOc2cc(C3N(CCc4ccc(OC)cc4)C(=O)C[NH+]3C)ccc21.,COc1ccc(CCN2C(=O)C[NH+](C)C2c2ccc3c(c2)OCCN3CCc2ccccc2)cc1
SubComponent,Please substitute a O=C(CCCC(=O)c1cccs1)NCc1ccccc1Cl in the molecule halo with a thiol.,O=C(CCCC(=O)c1cccs1)NCc1ccccc1S
DelComponent,Remove a nitrile from the molecule C=CC(CO[Si](C)(C)C(C)(C)C)(c1ccccc1)C1(CC#N)C(=O)Nc2ccccc21.,C=CC(CO[Si](C)(C)C(C)(C)C)(c1ccccc1)C1(C)C(=O)Nc2ccccc21
LogP,Modify the molecule Cc1ccccc1COc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 to increase its LogP value.,Cc1ccccc1COc1ccc2ccccc2c1-c1c(Cl)ccc2ccccc12
MR,Modify the molecule CC(=NNC(=O)c1ccc(C(=O)NN2CCCCC2)s1)c1csc(-c2ccc(Cl)c(Cl)c2)c1O to increase its MR value.,CC(=NNC(=O)c1ccc(C(=O)NN2CCCCC2)s1)c1csc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[OH]
QED,Modify the molecule Cc1c(C2CC[NH2+]CC2)n(C)c2c(Cl)cccc12 to have a lower QED value.,Cc1c(C2CC[NH2+]CC2)n(C)c2ccccc12
AtomNum,"Please generate a molecule composed of 27 carbon atoms, 5 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1[nH]c2c(F)ccc(C)c2c1CCNc1ncnc2cc(-c3ccc4ncccc4c3)sc12
BondNum,"There is a molecule consisting of 23 single bonds, 3 double bonds, 8 rotatable bonds, and 16 aromatic bonds.",O=C1C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)SC(=S)N1CCC1CCCC1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amine group, 2 halo groups, and 1 nitrile group.",CC(Nc1ccc(F)cc1F)c1ccc(C#N)cc1
AddComponent,Add a hydroxyl to the molecule CCOC1CCCN(c2c(F)cc(C[NH2+]C)cc2F)C1.,CCOC1CCCN(c2c(F)cc(C(O)[NH2+]C)cc2F)C1
SubComponent,Substitute a halo in the molecule [NH3+]Cc1cccc(OCCS(=O)(=O)c2cccc(Cl)c2)c1 with a carboxyl.,[NH3+]Cc1cccc(OCCS(=O)(=O)c2cccc(C(=O)[OH])c2)c1
DelComponent,Remove a amide from the molecule CCC(C)C([NH3+])C(=O)N(Cc1ccccc1)C(=O)C1CCC[NH+]1CC(=O)NC1CCCC1.,CCC(C)([NH3+])C(C(=O)C1CCC[NH+]1CC(=O)NC1CCCC1)c1ccccc1
LogP,Modify the molecule Fc1ccc(C2(F)CC3CCC(C2)[NH2+]3)cc1F to have a lower LogP value.,Fc1ccc(C2(F)CC3CCC(C2)[NH2+]3)cc1
MR,Please modify the molecule CCCNC(CC(F)(F)F)c1cc(Br)ccc1OCC to increase its MR value.,CCCNC(CC(F)(F)F)c1cc(Br)ccc1OC(C)O
QED,Modify the molecule CC(=O)Nc1ccc2[nH]c(C)c(C(Nc3ccccn3)c3ccccn3)c2c1 to increase its QED value.,Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1ccccn1
AtomNum,"Please generate a molecule consisting 9 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 chlorine atom.",CN(C)C(=O)CCNc1ncnc(Cl)c1N
BondNum,"The molecule has 10 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",Cc1ccc2[nH+]c(CC[NH+]3CCOCC3)cn2c1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amine group, and 2 halo groups.",CC(CNc1ccccc1)Oc1ccc(Br)c(F)c1
AddComponent,Modify the molecule CCN(CC)c1nc(NCCNC(=O)c2cc(OC)c(O)c(OC)c2)c2ccccc2n1 by adding a hydroxyl.,CCN(CC)c1nc(NCCNC(=O)c2cc(OC)c(O)c(OCO)c2)c2ccccc2n1
SubComponent,Substitute a halo in the molecule O=c1c(Sc2ccccc2)nc(Cl)cn1-c1cccc(Cl)c1 with a nitrile.,N#Cc1cn(-c2cccc(Cl)c2)c(=O)c(Sc2ccccc2)n1
DelComponent,Please remove a benzene ring from the molecule CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)C1c1ccccn1.,CCOC(=O)N1C(=O)C(O)=C(c2cccc3ccccc23)C1c1ccccn1
LogP,Modify the molecule COC(=O)c1cc2nnn(-c3ccccc3)c2cc1C(=O)OC to decrease its LogP value.,COC(=O)c1cc2nnn(-c3ccccc3C(=O)O)c2cc1C(=O)OC
MR,Optimize the molecule Cn1cc(CCCCC(O)c2ccccc2)cn1 to have a lower MR value.,Cn1cc(CCCCCO)cn1
QED,Optimize the molecule CCCCCCC(C)NC(NCC)=[NH+]CCn1cccn1 to have a higher QED value.,CCCCCCC(C)NC(CC)=[NH+]CCn1cccn1
AtomNum,"The molecule contains 12 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COC1CCCC1Nc1cccc(C(=O)[O-])n1
BondNum,"Please generate a molecule with 16 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",NC(=O)c1ccc(C(=O)N2CCOCC2C2CCCO2)cn1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, 2 halo groups, 1 thioether group, 1 sulfide group, and 1 sulfone group.",CCCC(=O)[NH+]=C1SC2CS(=O)(=O)CC2N1c1c(Br)cc(C)cc1Br
AddComponent,Modify the molecule Cc1ccc(C(=O)Nc2sc(CC#N)nc2-c2cccs2)cc1 by adding a hydroxyl.,Cc1ccc(C(=O)Nc2sc(CC#N)nc2-c2cccs2)cc1O
SubComponent,Please substitute a halo in the molecule CCCCCC(Cl)c1ccc2c(c1)CCO2 with a nitrile.,CCCCCC(C#N)c1ccc2c(c1)CCO2
DelComponent,Modify the molecule CC1CC(C(=O)NCCCC2CCCC2)(C(N)=S)C1 by removing a amine.,CC1CC(C=S)(C(=O)NCCCC2CCCC2)C1
LogP,Please optimize the molecule CC(Br)c1cc(F)c(F)c(Br)c1 to have a lower LogP value.,CC(=O)C(C)c1cc(F)c(F)c(Br)c1
MR,Please modify the molecule C[NH+](C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(NC(=O)c4ccccc4Br)CC3)cc2)cc1N=O to decrease its MR value.,C[NH+](C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(NC(=O)c4ccccc4)CC3)cc2)cc1N=O
QED,Modify the molecule CC1OC([NH+]2CCN(c3ccc(Nc4cc(NCc5ccccc5)c(C(N)=O)c[nH+]4)cc3)CC2)O1 to decrease its QED value.,CC1OC([NH+]2CCN(c3ccc(Nc4cc(NCc5cccc(S)c5)c(C(N)=O)c[nH+]4)cc3)CC2)O1
AtomNum,"The molecule is composed of 19 carbon atoms, 3 oxygen atoms, and 2 bromine atoms.",Cc1ccc(C(=O)Cc2cc3cc(Br)cc(Br)c3oc2=O)c(C)c1
BondNum,"Please generate a molecule with 30 single bonds, 3 double bonds, 16 rotatable bonds, and 22 aromatic bonds.",CC(C)C(NC(=O)OCc1csc(N2CCCC2)n1)C(=O)N(NC(=O)OCc1cncs1)C(Cc1ccccc1)C(O)C[NH2+]Cc1ccccc1
FunctionalGroup,"There is a molecule with 1 ester group, and 2 halo groups.",COC(=O)C(C)C(Cl)CCl
AddComponent,Please add a carboxyl to the molecule C#Cc1ccc(-c2noc(C3(C(C)(C)C)CCCN3C(=O)[O-])n2)nc1.,C#Cc1ccc(-c2noc(C3(C(C)(C)C)CC(C(=O)O)CN3C(=O)[O-])n2)nc1
SubComponent,Please substitute a halo in the molecule O=C(CC[NH+]1CCC2CCCCC21)c1cccc(F)c1 with a carboxyl.,O=C([OH])c1cccc(C(=O)CC[NH+]2CCC3CCCCC32)c1
DelComponent,Remove a benzene ring from the molecule CN(Cc1sccc1C=CC(=O)[O-])c1ccccc1.,CNCc1sccc1C=CC(=O)[O-]
LogP,Please modify the molecule N#Cc1ccccc1OCCCN(CCO)CC(F)F to increase its LogP value.,OCCN(CCCOc1ccccc1)CC(F)F
MR,Please optimize the molecule CCC(C)(C)C(=O)OC1C(=O)OC2C3OC(c4c(F)c(F)c(F)c(F)c4F)OC3OC12 to have a higher MR value.,CC(C)(CCC(=O)O)C(=O)OC1C(=O)OC2C3OC(c4c(F)c(F)c(F)c(F)c4F)OC3OC12
QED,Please modify the molecule COc1cc(C(C)NC(=O)c2ccnc(NC(=O)C(C)C)c2)ccc1OCC(F)F to decrease its QED value.,CC(=O)C(F)COc1ccc(C(C)NC(=O)c2ccnc(NC(=O)C(C)C)c2)cc1OC
AtomNum,"The molecule contains 17 carbon atoms, and 2 nitrogen atoms.",CCc1ccccc1C[NH+]1CCC(C)[NH2+]C(C)CC1
BondNum,"The molecule contains 28 single bonds, 5 double bonds, 14 rotatable bonds, and 6 aromatic bonds.",COC=CC(C)(O)C(=O)C(C)CC=CC1C(OC=O)C(C(Cc2ccccc2)NC=O)C(C)C2(C)OC12
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 2 halo groups, and 1 sulfone group.",O=C([O-])C1CC(O)CN1S(=O)(=O)c1cccc(Cl)c1F
AddComponent,Add a hydroxyl to the molecule CCc1ccc(S(=O)(=O)N2CCS(=O)(=O)C3CCCCC32)cc1.,CCc1ccc(S(=O)(=O)N2CCS(=O)(=O)C3C(O)CCCC32)cc1
SubComponent,Modify the molecule CCN(CC(C)S(C)(=N)=O)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1Br by substituting a halo with a nitro.,CCN(CC(C)S(C)(=N)=O)c1ncc(C(=O)Nc2ccc(OC(F)(Cl)NO)cc2)cc1Br
DelComponent,Remove a benzene ring from the molecule Cc1ccc(NC(=O)Cn2c(=O)nc3c4c5c(sc4ncn32)CCCC5)c(C)c1.,CCNC(=O)Cn1c(=O)nc2c3c4c(sc3ncn21)CCCC4
LogP,Please optimize the molecule CCc1nn2c(OC)cccc2c1C(=O)NCc1ccc(C2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1 to have a lower LogP value.,CCc1nn2c(OC)cccc2c1C(=O)NCc1ccc(C2CC3(C2)CN(c2ccc(OC(F)(F)S)cc2)C3)cc1
MR,Please optimize the molecule Nc1cc(S(=O)(=O)[O-])ccc1C(=O)[O-] to have a lower MR value.,O=C([O-])c1ccc(S(=O)(=O)[O-])cc1
QED,Modify the molecule CC(C)(CCCO)C[NH2+]C1CCN2CCCCC12 to have a higher QED value.,CC(C)(CCCO)C[NH2+]C1CC(c2ccccc2)N2CCCCC12
AtomNum,"The molecule consists of 21 carbon atoms, 7 oxygen atoms, and 1 nitrogen atom.",COc1cc(C(=O)OCC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC
BondNum,"Please generate a molecule with 3 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",O=c1ccn(CCCl)c2ccccc12
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 1 halo group, 1 nitrile group, and 1 sulfide group.",COc1cc(C=CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1OCC#N
AddComponent,Modify the molecule CC(C)(CC(=O)Nc1ccc(N2CCOCC2=O)cc1)c1ccccc1 by adding a hydroxyl.,CC(C)(CC(=O)Nc1ccc(N2CCOCC2=O)c(O)c1)c1ccccc1
SubComponent,Modify the molecule CC(C)n1nccc1C(=O)NCCC1CC(S(=O)(=O)c2ccc(F)cc2)CCO1 by substituting a halo with a nitro.,CC(C)n1nccc1C(=O)NCCC1CC(S(=O)(=O)c2ccc(NO)cc2)CCO1
DelComponent,Remove a COc1ccc2nc(Nc3cc(C)nn3-c3nc4ccc(OC)cc4s3)sc2c1 from the molecule amine.,COc1ccc2nc(-c3cc(C)nn3-c3nc4ccc(OC)cc4s3)sc2c1
LogP,Modify the molecule O=C([O-])CCn1c(=O)[nH]c2ccc(Br)cc21 to have a lower LogP value.,CC(=O)c1ccc2[nH]c(=O)n(CCC(=O)[O-])c2c1
MR,Optimize the molecule C[NH2+]CC(C)C(=O)Cc1ccc(OC)c(Br)c1 to have a higher MR value.,CC(=O)c1cc(CC(=O)C(C)C[NH2+]C)ccc1OC
QED,Optimize the molecule Cc1cc(C)cc(N2CC(C(=O)Nc3cccc(Cl)c3C)CC2=O)c1 to have a lower QED value.,CC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)c1C
AtomNum,"There is a molecule consisting of 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",Cc1c(Cl)cccc1NC(=O)NC1CCC1
BondNum,"The molecule contains 26 single bonds, 5 double bonds, 10 rotatable bonds, and 11 aromatic bonds.",CC1C[NH+](Cc2cnc(NC(=O)C(=NOC3CCCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)CCN1C=O
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 amine group.",Nc1ccc(CN(C(=O)C2CCCCC2)C2CC2)cc1
AddComponent,Modify the molecule CS(=O)(=O)c1ccc(CN2C(=O)NC3SC=C(C#CCc4cccnc4)N3C2=O)cc1 by adding a thiol.,CS(=O)(=O)c1ccc(CN2C(=O)NC3SC=C(C#CCc4cccnc4)N3C2=O)cc1S
SubComponent,Substitute a halo in the molecule COc1cc(C(C)=O)c(C)c(Br)c1OC with a nitro.,COc1cc(C(C)=O)c(C)c(NO)c1OC
DelComponent,Please remove a amine from the molecule Cc1nc(Nc2cc[nH]c2)cc(NC(C)CC[NH3+])n1.,Cc1nc(Nc2cc[nH]c2)cc(C(C)CC[NH3+])n1
LogP,Please modify the molecule COc1ccc(NC(=O)C(C)Sc2nc(-c3ccco3)c(-c3ccco3)[nH]2)cc1 to decrease its LogP value.,COc1ccc([SH](C)c2nc(-c3ccco3)c(-c3ccco3)[nH]2)cc1
MR,Modify the molecule CC[NH2+]CCCNc1cc[nH+]cc1Br to increase its MR value.,CC[NH2+]CC(O)CNc1cc[nH+]cc1Br
QED,Modify the molecule COc1ccccc1Nc1nnc(SCC(=O)NC(c2ccc(C)cc2)c2cccs2)s1 to have a higher QED value.,COc1ccccc1-c1nnc(SCC(=O)NC(c2ccc(C)cc2)c2cccs2)s1
AtomNum,"Please generate a molecule with 22 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCCOC(=O)c1cccc(NC(=O)CCCOc2cccc(C)c2C)c1
BondNum,"There is a molecule consisting of 8 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",CC(=O)Nc1ccc(C(=O)CSc2nc(C)nc3ccccc23)cc1
FunctionalGroup,The molecule has and 1 benzene ring group.,CC(C)c1ccc(OCCc2cc(C3CC[NH2+]C3)n[nH]2)cc1
AddComponent,Please add a benzene ring to the molecule O=C([O-])c1ccn(Cc2ccc(F)c(Br)c2)n1.,O=C([O-])c1nn(Cc2ccc(F)c(Br)c2)cc1-c1ccccc1
SubComponent,Please substitute a halo in the molecule COC(=O)CCN(CC1CCCO1)C(=O)C1CC1c1ccc(F)cc1 with a hydroxyl.,COC(=O)CCN(CC1CCCO1)C(=O)C1CC1c1ccc(O)cc1
DelComponent,Remove a benzene ring from the molecule Cc1ccnc(Nc2ccc(N3CCN(C(=O)Nc4ccccc4C)CC3)nn2)c1.,CNC(=O)N1CCN(c2ccc(Nc3cc(C)ccn3)nn2)CC1
LogP,Modify the molecule Clc1ccc(CNc2nc(C3CCCCC3)nc(N3CCCCC3)n2)cc1 to have a lower LogP value.,c1ccc(CNc2nc(C3CCCCC3)nc(N3CCCCC3)n2)cc1
MR,Modify the molecule Cc1ccc(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4cc(F)ccc4C)ccc3C)CC2)cc1F to decrease its MR value.,Cc1ccc(NC(=O)CNC(=O)C2CC[NH+](CC(=O)NCC(=O)Nc3cc(F)ccc3C)CC2)cc1F
QED,Please optimize the molecule N#CC(NC(=O)CCc1ccc2c(c1)OCCO2)C1CC1 to have a lower QED value.,ONC(NC(=O)CCc1ccc2c(c1)OCCO2)C1CC1
AtomNum,"The molecule contains 23 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",Cc1cc(C)c(NC(=O)NNC(=O)C=C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1
BondNum,"The molecule contains 13 single bonds, 3 double bonds, 1 triple bond, 5 rotatable bonds, and 11 aromatic bonds.",N#CCOC(=O)Cc1c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c2c1F
FunctionalGroup,"There is a molecule composed of 2 amine groups, and 1 sulfone group.",C[NH+]=C(NCC(c1cccnc1)C(C)C)N1CCN(S(=O)(=O)CCOC(C)C)CC1
AddComponent,Please add a benzene ring to the molecule C[NH+]=C(NCc1cnn(Cc2ccccc2)c1)NCC1C[NH+](CC(C)C)CCO1.,C[NH+]=C(NCC1C[NH+](CC(C)C)CCO1)NC(c1ccccc1)c1cnn(Cc2ccccc2)c1
SubComponent,Substitute a COc1cccc(C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 in the molecule halo with a hydroxyl.,COc1cccc(C(=O)NCCc2csc(-c3ccc(C(O)(F)F)cc3)n2)c1
DelComponent,Remove a CCNC(NCCc1nc(C(C)C)no1)=[NH+]CC(C)Oc1cccc(F)c1 from the molecule halo.,CCNC(NCCc1nc(C(C)C)no1)=[NH+]CC(C)Oc1ccccc1
LogP,Optimize the molecule CCNc1nc(Nc2ccc(Br)cc2F)c(Cl)cc1Cl to have a lower LogP value.,CCNc1nc(Nc2cc(O)c(Br)cc2F)c(Cl)cc1Cl
MR,Modify the molecule Cc1cccc(Cn2cnc3scc(-c4cccc5ccccc45)c3c2=O)c1 to have a higher MR value.,Cc1cccc(Cn2c(-c3ccccc3)nc3scc(-c4cccc5ccccc45)c3c2=O)c1
QED,Please modify the molecule O=C(CNS(=O)(=O)Cc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1 to decrease its QED value.,O=C(CNS(=O)(=O)Cc1ccc2c(c1)OCO2)Nc1ccc(C(=O)[OH])cc1
AtomNum,"Please generate a molecule composed of 23 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",O=C(NCCc1ccc(OC(F)F)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
BondNum,"Please generate a molecule composed of 7 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",CCOc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, and 2 halo groups.",CC(Nc1cccc2cnccc12)c1cc(F)ccc1F
AddComponent,Please add a thiol to the molecule COC1OC(CN(C2C=C(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.,COC1OC(CN(C2C=C(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OC(S)c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
SubComponent,Please substitute a halo in the molecule S=C1c2ccc(Cl)cc2CCc2cc(Cl)ccc21 with a hydroxyl.,Oc1ccc2c(c1)CCc1cc(Cl)ccc1C2=S
DelComponent,Modify the molecule halo by removing a ClCC1(Cc2ccco2)CC=CCC1.,CC1(Cc2ccco2)CC=CCC1
LogP,Modify the molecule C[NH+](C)C(CNC(=O)C1CCC(=O)N1c1ccccc1)c1ccccc1Cl to increase its LogP value.,C[NH+](Cc1ccccc1)C(CNC(=O)C1CCC(=O)N1c1ccccc1)c1ccccc1Cl
MR,Modify the molecule CCCCNC(=O)C(C)CC(O)C(CC(CNC(=O)Oc1cn(Cc2ccccc2)c2ccccc12)C(C)C)NC(=O)OC(C)(C)C to have a higher MR value.,CCCCNC(=O)C(C)CC(I)C(CC(CNC(=O)Oc1cn(Cc2ccccc2)c2ccccc12)C(C)C)NC(=O)OC(C)(C)C
QED,Please modify the molecule O=C(CCNC(=O)NC1CCCCC1)NCc1ccccc1F to increase its QED value.,O=C(NCCc1ccccc1F)NC1CCCCC1
AtomNum,"The molecule is composed of 11 carbon atoms, 6 oxygen atoms, and 6 fluorine atoms.",O=C([O-])C1CCC(OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)CC1
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 5 aromatic bonds.",CCC(CC#N)NC(=O)c1ccc(C[NH3+])o1
FunctionalGroup,"There is a molecule with 2 hydroxyl groups, and 1 ester group.",CC(O)OC1CC2C(C)(C)C(O)CCC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C
AddComponent,Add a hydroxyl to the molecule CC(=O)N1CC(C(C)C)Oc2c1c[nH]c2C(=O)[O-].,CC(C)C1CN(C(=O)CO)c2c[nH]c(C(=O)[O-])c2O1
SubComponent,Please substitute a O=C(C[NH2+]C1CCCNC1=O)Nc1ccc(F)cc1 in the molecule halo with a carboxyl.,O=C(C[NH2+]C1CCCNC1=O)Nc1ccc(C(=O)[OH])cc1
DelComponent,Please remove a CCC([NH3+])CCCc1ccc(Br)s1 from the molecule halo.,CCC([NH3+])CCCc1cccs1
LogP,Modify the molecule COCCC(C)(CO)[NH2+]CC1CCCO1 to have a higher LogP value.,COCCC(C)(C)[NH2+]CC1CCCO1
MR,Modify the molecule COc1cc(C(=O)OCC(=O)Nc2ccccc2I)ccc1OC(C)C to have a lower MR value.,COc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)[OH])ccc1OC(C)C
QED,Optimize the molecule CC(C)(C)C=Nc1cc(N(CC(C)(C)C)CC(C)(C)C)c(NCC(C)(C)C)cc1N to have a higher QED value.,CC(C)(C)C=Nc1ccc(NCC(C)(C)C)c(N(CC(C)(C)C)CC(C)(C)C)c1
AtomNum,"There is a molecule consisting of 53 carbon atoms, 8 oxygen atoms, 5 nitrogen atoms, and 1 phosphorus atom.",CCC(CC)(OC(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1OC)N1CNc2c1[nH]c(NC(c1ccccc1)(c1ccccc1)c1ccccc1OC)nc2=O)P(=O)([O-])[O-]
BondNum,"The molecule consists of 8 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CC(NI)c1ccc(-c2ccn(CCO)c(=O)c2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 ester group.",CN(C)c1ccc(C(=O)OCCCC[NH3+])cc1
AddComponent,Please add a hydroxyl to the molecule CCCOc1c(CC(C)[NH3+])cccc1OCC.,CCCOc1c(CC(C)[NH3+])cc(O)cc1OCC
SubComponent,Please substitute a nitrile in the molecule C=CC(=O)N1CCN(c2nc(OCC3(C)CCC[NH+]3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)CC1CC#N with a carboxyl.,C=CC(=O)N1CCN(c2nc(OCC3(C)CCC[NH+]3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)CC1CC(=O)[OH]
DelComponent,Modify the molecule halo by removing a O=C([O-])CCC1CCCN(S(=O)(=O)CCCC(F)(F)F)C1.,O=C([O-])CCC1CCCN(S(=O)(=O)CCCC(F)F)C1
LogP,Please modify the molecule COC(=O)c1sc(NCCCCC(C)C)nc1C to increase its LogP value.,COC(=O)c1sc(CCCCC(C)C)nc1C
MR,Please modify the molecule CCc1ccc(-c2cc(NC(=O)c3cccc(COC)c3)on2)cc1 to decrease its MR value.,CCc1ccc(-c2cc(NC(=O)COC)on2)cc1
QED,Modify the molecule CC(c1ccc(F)cc1Br)N(CC1CCCC[NH2+]1)C1CC1 to decrease its QED value.,CC(c1ccc(NO)cc1Br)N(CC1CCCC[NH2+]1)C1CC1
AtomNum,"The molecule consists of 24 carbon atoms, and 8 oxygen atoms.",C=C(CC1=CCC(C(=O)OCC)C(C(=O)OCC)C1)CC(CC(=O)OCC)C(=O)OCC
BondNum,"There is a molecule composed of 19 single bonds, 3 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccc([O-])c([N+](=O)[O-])c2)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 3 halo groups.",CCC(C)(C)c1ccc(OCCCCNC(=O)C(Br)(Br)Br)c(C(C)(C)CC)c1
AddComponent,Please add a hydroxyl to the molecule COCC(NC(=O)c1cc(C)on1)C(=O)NC(C)C(=O)OCc1ccccc1.,COCC(O)(NC(=O)c1cc(C)on1)C(=O)NC(C)C(=O)OCc1ccccc1
SubComponent,Modify the molecule COc1cc(C=C2SC(=[NH+]c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1[O-] by substituting a halo with a thiol.,COc1cc(C=C2SC(=[NH+]c3ccc(S)cc3)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1[O-]
DelComponent,Remove a CC=Cc1ccccc1Oc1nccc(C(=O)[O-])c1F from the molecule benzene ring.,CC=COc1nccc(C(=O)[O-])c1F
LogP,Please optimize the molecule Cc1ccc(-n2ncc(C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)c2C(C)C)cc1 to have a higher LogP value.,Cc1ccc(-n2ncc(C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)c2C(C)Cc2ccccc2)cc1
MR,Optimize the molecule CC(=O)C1(O)CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC21C to have a higher MR value.,CC(=O)C1(O)CC(N)C2C3CC(=O)C4CC(=O)CCC4(C)C3CCC21C
QED,Optimize the molecule CC(=O)NC1C(OCC2OC(OC3C(O)C(CO)OC(O)C3NC(C)=O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C1O to have a lower QED value.,CC(=O)NC1C(OCC2OC(OC3C(I)C(CO)OC(O)C3NC(C)=O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C1O
AtomNum,"Please generate a molecule composed of 10 carbon atoms, and 3 nitrogen atoms.",C[NH+](C)CCCNc1cccnc1
BondNum,"Please generate a molecule composed of 7 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",CC(c1ccc(Cl)c(Cl)c1)c1c[nH]c(=S)n1-c1ccc(F)cc1
FunctionalGroup,The molecule is composed of and 9 hydroxyl groups.,COC1C(CO)OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(C)C(O)C2O)C(O)C1O
AddComponent,Add a carboxyl to the molecule C[NH+]=C(NCCNC(=O)C(C)C)Nc1cccc(OCCCOC)c1.,C[NH+]=C(NCCNC(=O)C(C)CC(=O)O)Nc1cccc(OCCCOC)c1
SubComponent,Substitute a halo in the molecule O=C(OC1=CC(=O)C2CCC1C2)c1ccc(Cl)c(CSc2nnnn2C2CC2)c1Cl with a nitro.,ONc1ccc(C(=O)OC2=CC(=O)C3CCC2C3)c(Cl)c1CSc1nnnn1C1CC1
DelComponent,Modify the molecule nitrile by removing a COCOC1CCC2C(CCC3CC4C(C#N)CCC4CC32)C1.,COCOC1CCC2C(CCC3CC4CCCC4CC32)C1
LogP,Optimize the molecule CC(C)OCCCNC(=O)C(=O)NN=Cc1cccc(OCc2cccc(F)c2)c1 to have a lower LogP value.,CC(C)OCCCNC(=O)C(=O)NN=Cc1cccc(OCc2cccc(O)c2)c1
MR,Please modify the molecule COc1cccc(COc2nc(NC(CO)CC(C)C)c3sc(N)nc3n2)c1 to decrease its MR value.,COc1cccc(COc2nc(NC(CO)CC(C)C)c3scnc3n2)c1
QED,Optimize the molecule Fc1cccc2c1nc(OCC1CCN(CC(F)F)CC1)c1ccccc12 to have a higher QED value.,FCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1
AtomNum,"The molecule is composed of 18 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC[NH2+]C(c1ccc(C)cc1C)C(OCC)C(C)(C)C
BondNum,"The molecule consists of 13 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C(CCn1c2c(ccc1=O)C(=O)CCC2)NC1CC1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amine group, and 2 halo groups.",Cc1cc(-c2[nH]nc(N)c2-c2cccc(Br)c2)ccc1Br
AddComponent,Modify the molecule C[NH2+]C(CCC(F)(F)F)c1ccc(C)c2ccccc12 by adding a hydroxyl.,C[NH2+]C(CCC(F)(F)F)c1ccc(C)c2cc(O)ccc12
SubComponent,Modify the molecule nitrile by substituting a COCCNC(=O)C(C)NC(=O)CC#N with a hydroxyl.,COCCNC(=O)C(C)NC(=O)CO
DelComponent,Modify the molecule COC(=O)c1ccc(C(C)Sc2nc(C(F)(F)F)nc3ccccc23)o1 by removing a halo.,COC(=O)c1ccc(C(C)Sc2nc(C(F)F)nc3ccccc23)o1
LogP,Modify the molecule CC(C)CCCC(=O)C1([NH3+])CCC1 to decrease its LogP value.,CC(C)C(O)CCC(=O)C1([NH3+])CCC1
MR,Please modify the molecule Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN(C)c3ccccc3)CC2)cc1 to decrease its MR value.,CNCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
QED,Please modify the molecule Cc1cccc(NC(=S)Nc2ccc(F)cc2F)c1C to decrease its QED value.,CC(=O)c1ccc(NC(=S)Nc2cccc(C)c2C)c(F)c1
AtomNum,"Please generate a molecule composed of 11 carbon atoms, and 5 nitrogen atoms.",Cc1ccc(-c2cc(C#N)nc(N)n2)n1C
BondNum,"There is a molecule with 34 single bonds, 4 double bonds, and 2 rotatable bonds.",CC=C(C)C(=O)OC1C(C)=CC23C(C)CC4C(C(C=C5COC(C)(C)OC5C12O)C3O)C4(C)C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 2 amide groups, 3 thioether groups, and 2 sulfide groups.",CC(C)SCCC([NH3+])C(O)C(=O)NNC(=O)c1cccc(SC(C)C)c1
AddComponent,Add a benzene ring to the molecule O=C(NCC(C#Cc1ccccc1)c1ccccc1)OCc1ccccc1.,O=C(NCC(C#Cc1ccc(-c2ccccc2)cc1)c1ccccc1)OCc1ccccc1
SubComponent,Substitute a nitro in the molecule NC(=O)NCCCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 with a thiol.,NC(=O)NCCCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccc([SH]=O)cc1
DelComponent,Please remove a amide from the molecule C=C(C)C(=O)NC1C[Si](C)(C)CC1C.,CCC1C[Si](C)(C)CC1C
LogP,Modify the molecule Cc1cc2c(cc3c(=O)n(CC(=O)N(Cc4cccnc4)C4CC4)nc(C)n32)s1 to have a lower LogP value.,Cc1cc2c(cc3c(=O)n(CC(=O)N(Cc4cccnc4)C4CC4O)nc(C)n32)s1
MR,Modify the molecule ClCCCNc1csc2ccccc12 to have a higher MR value.,ClCCCNc1csc2c(-c3ccccc3)cccc12
QED,Modify the molecule CCCCCNC(=O)CCCNC(=O)c1ccc(F)cc1F to have a lower QED value.,NCCCCCNC(=O)CCCNC(=O)c1ccc(F)cc1F
AtomNum,"There is a molecule with 28 carbon atoms, 4 oxygen atoms, and 8 nitrogen atoms.",C=CCNc1nc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nc2c1ncn2Cc1ccc([N+](=O)[O-])cc1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccccc3)o2)c1
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, 1 amide group, and 1 nitrile group.",COc1ncc(N2CCOc3ccc(OC4CCN(C(=O)C5CCC(O)CC5)C4)cc32)cc1C#N
AddComponent,Please add a amine to the molecule O=C(NC1CCN(CC(F)(F)F)C1=O)c1ccccc1Cn1cncn1.,NC(c1ccccc1C(=O)NC1CCN(CC(F)(F)F)C1=O)n1cncn1
SubComponent,Substitute a halo in the molecule CC(C)(C)c1ccc(CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 with a carboxyl.,CC(C)(C)c1ccc(CSc2nc(-c3ccc(C(=O)[OH])cc3)cs2)cc1
DelComponent,Remove a halo from the molecule COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(Cl)cc3C)C2c2cn(C)c3ccccc23)c1OC.,COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3C)C2c2cn(C)c3ccccc23)c1OC
LogP,Optimize the molecule CC1(O)CCCN(S(=O)(=O)c2cccc3ccoc23)CC1 to have a higher LogP value.,CC1CCCN(S(=O)(=O)c2cccc3ccoc23)CC1
MR,Please modify the molecule O=C(CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)NOCc1ccccc1 to increase its MR value.,O=C(CC1CCc2cc(Br)c(O)c3[nH]c(=O)c(=O)n1c23)NOCc1ccccc1
QED,Modify the molecule Cc1nc(C)c(C[NH2+]CCC[NH2+]CC(C)C)o1 to increase its QED value.,Cc1nc(C)c(C[NH2+]CCC([NH2+]CC(C)C)c2ccccc2)o1
AtomNum,"There is a molecule composed of 23 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CCn1cc(-c2cc(C(=O)N3Cc4ccccc4C3)c3ccccc3n2)cn1
BondNum,"There is a molecule composed of 23 single bonds, 1 double bond, 13 rotatable bonds, and 6 aromatic bonds.",CCNC(NCCCCOCCOC)=[NH+]Cc1ccccc1C[NH+]1CCOCC1
FunctionalGroup,Please generate a molecule composed of and 1 sulfone group.,COCCN(C(C)C1CC1)S(=O)(=O)C1CCCC1C(=O)[O-]
AddComponent,Modify the molecule CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2C)C(C(=O)NCc2ccccc2)=C(C)N1 by adding a amine.,CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2C)C(C(=O)NCc2cccc(N)c2)=C(C)N1
SubComponent,Substitute a CC(C)NC(=O)CCSc1ccc(F)c(F)c1 in the molecule halo with a thiol.,CC(C)NC(=O)CCSc1ccc(S)c(F)c1
DelComponent,Remove a CCSC1CCCCN(C(=O)C(C)C2C[NH2+]C2)C1 from the molecule amide.,CCSC1CCCCC2(CC1)C[NH2+]C2
LogP,Optimize the molecule O=C(c1ccc(Br)s1)N1CCOCC1CCl to have a lower LogP value.,ONc1ccc(C(=O)N2CCOCC2CCl)s1
MR,Please optimize the molecule CSc1ccc2nc(N3CCN(C(=O)C4c5ccccc5Oc5ccccc54)CC3)sc2c1 to have a higher MR value.,CSc1ccc2nc(N3CCN(C(=O)C4(c5ccccc5)c5ccccc5Oc5ccccc54)CC3)sc2c1
QED,Optimize the molecule CCNC(=O)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 to have a lower QED value.,CC(=O)c1ccc(-c2cnc(CCC(=O)NCC(=O)NCC)o2)cc1
AtomNum,"Please generate a molecule with 28 carbon atoms, 6 oxygen atoms, and 5 nitrogen atoms.",COc1ccc2cc1OCC(=O)NCc1ccc(cc1)OC1CN(C(=O)CCn3ccc(C)n3)CC1NC2=O
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 9 rotatable bonds, and 5 aromatic bonds.",CCC(C)(C)NS(=O)(=O)c1cnn(CCC[NH2+]C(C)C)c1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, and 2 halo groups.",COc1cc(NCc2ccc3cc[nH]c3c2)c(Br)cc1Br
AddComponent,Modify the molecule CCOc1nc2c([nH]1)CN(C(=O)OC(C)(C)C)C2 by adding a benzene ring.,CCOc1nc2c([nH]1)CN(C(=O)OC(C)(C)Cc1ccccc1)C2
SubComponent,Substitute a halo in the molecule CCOc1cc(C(=S)NCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1 with a nitrile.,CCOc1cc(C(=S)NCc2ccco2)cc(C#N)c1OCc1ccc(Cl)cc1
DelComponent,Please remove a benzene ring from the molecule CSc1ccc(C=Nc2ccc(S(N)(=O)=O)cc2)cc1.,CSc1ccc(C=NS(N)(=O)=O)cc1
LogP,Modify the molecule O=C(NCc1ccccc1F)c1cc(-n2cnnn2)ccc1Cl to have a lower LogP value.,O=C(NCF)c1cc(-n2cnnn2)ccc1Cl
MR,Modify the molecule Cc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)n(C2CCS(=O)(=O)C2)n1 to increase its MR value.,Cc1cc(NC(=O)c2nn(-c3ccc(C#N)cc3)c3c2CCCC3)n(C2CCS(=O)(=O)C2)n1
QED,Optimize the molecule O=C1C=C([O-])C(C2(O)CCC(O)C3OC32)CN1 to have a lower QED value.,ONC1(C2CNC(=O)C=C2[O-])CCC(O)C2OC21
AtomNum,"The molecule contains 12 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCCCC(C)[NH2+]CC(O)COC(C)C
BondNum,"Please generate a molecule with 8 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Br)cc3)n2)cc1
FunctionalGroup,"There is a molecule consisting of 4 benzene ring groups, and 1 amine group.",c1ccc(CNc2ccc(C3=NCCC3c3ccccc3)c(-c3ccccc3)c2)cc1
AddComponent,Please add a hydroxyl to the molecule Cc1sc2ncn(CCC(=O)Nc3cc(N4CCCC4=O)ccc3Cl)c(=O)c2c1C.,Cc1sc2ncn(CCC(=O)Nc3cc(N4CCCC4=O)ccc3Cl)c(=O)c2c1CO
SubComponent,Substitute a hydroxyl in the molecule O=C([O-])C1(c2ccc(CC3(O)CC3)cc2)CC1 with a carboxyl.,O=C([OH])C1(Cc2ccc(C3(C(=O)[O-])CC3)cc2)CC1
DelComponent,Modify the molecule benzene ring by removing a CCOC(=O)C(C)(C)Oc1cccc2c1CC(=CCC[NH+]1CCC(c3ccc(Cl)cc3)CC1)c1cccnc1O2.,CCOC(=O)C(C)(C)Oc1cccc2c1CC(=CCC[NH+]1CCC(Cl)CC1)c1cccnc1O2
LogP,Optimize the molecule CCOc1cc(Br)c(N)c(I)c1 to have a higher LogP value.,CCOc1cc(Br)cc(I)c1
MR,Modify the molecule N#Cc1ccccc1OCC(=O)Oc1ccc(F)cc1 to decrease its MR value.,O=C(COc1ccccc1)Oc1ccc(F)cc1
QED,Modify the molecule C[NH+](C)C1CC(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)N(c2ncncc2CC(=O)[O-])C1 to decrease its QED value.,C[NH+](C)C1CC(Cc2ccc(NC(=O)c3ccc(NO)cc3)cc2)N(c2ncncc2CC(=O)[O-])C1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",O=C1Cc2ccccc2N1C(=O)Nc1ccc(OC(F)(F)F)cc1
BondNum,"There is a molecule consisting of 15 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COC1CC(CN(C)S(=O)(=O)c2cc(Cl)cnc2N)[NH+](C)C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfone group.",CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(c2ccco2)[NH+](C)C)c1
AddComponent,Modify the molecule C#CCSc1ncnc2sc(C)c(-c3ccc(C(C)C)cc3)c12 by adding a carboxyl.,C#CCSc1ncnc2sc(C)c(-c3ccc(C(C)CC(=O)O)cc3)c12
SubComponent,Substitute a halo in the molecule CC(C)c1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 with a aldehyde.,CC(=O)C(F)(F)c1cccc(C(=O)N2Cc3nc(C(C)C)nc(-c4ccn[nH]4)c3CC2C)c1Cl
DelComponent,Modify the molecule Cc1cc(C(=O)CCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c(C)s1 by removing a amide.,Cc1cc(C(=O)CCC(=O)OCc2ccc3c(c2)OCO3)c(C)s1
LogP,Optimize the molecule O=C(C=C(C1CC1)C1CC1)Nc1ccc(N2CCCCC2)cc1 to have a lower LogP value.,O=C(C=C(C1CC1)C1CC1)NN1CCCCC1
MR,Modify the molecule CC(O)C(C)(C)NC(=O)C1CCCC1C(=O)[O-] to have a higher MR value.,CC(O)C(C)(Cc1ccccc1)NC(=O)C1CCCC1C(=O)[O-]
QED,Please optimize the molecule OC(CC1CC1)c1cccc(F)c1Br to have a lower QED value.,OC(CC1CC1)c1ccccc1Br
AtomNum,"There is a molecule consisting of 26 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",CN(c1ccc(-c2cccn3nc(Cc4ccc(CN5CCS(=O)(=O)CC5)cc4)nc23)cc1)S(C)(=O)=O
BondNum,"Please generate a molecule with 17 single bonds, 3 double bonds, and 6 rotatable bonds.",COC(=O)C1CCCC1S(=O)(=O)N(CC(C)C)C(C)C
FunctionalGroup,There is a molecule with and 1 amide group.,CN(CCc1ccncc1)c1ncc(C(=O)N2CCN(C=O)CC2)cn1
AddComponent,Please add a benzene ring to the molecule O=C1NC(c2ccc(O)cc2)C(=O)NC1=C[O-].,O=C1NC(c2ccc(O)c(-c3ccccc3)c2)C(=O)NC1=C[O-]
SubComponent,Substitute a halo in the molecule O=C(NCc1ccc(Br)s1)C1CCCCCCC1 with a hydroxyl.,O=C(NCc1ccc(O)s1)C1CCCCCCC1
DelComponent,Please remove a nitrile from the molecule N#Cc1c[nH+]c2ccccc2c1NCc1cccnc1OCc1ccccc1.,c1ccc(COc2ncccc2CNc2cc[nH+]c3ccccc23)cc1
LogP,Optimize the molecule CC(C)CC(O)(C[NH3+])c1ccc2c(c1)CC(=O)N2C to have a higher LogP value.,CC(C)CC(C[NH3+])c1ccc2c(c1)CC(=O)N2C
MR,Modify the molecule CC(=O)OCC1OC(Oc2ccc(C(=O)Oc3c4c(c(CC=C(C)C)c5c3C(=O)C3=CC(C)C(=O)C(O)(CC=C(C)C(=O)N(C)C(C)C(=O)NCc6cccc7ccccc67)C3(C(C)C(C)C)O5)OC(C)(CCC=C(C)C)C=C4)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O to have a higher MR value.,CC(=O)OCC1OC(Oc2ccc(C(=O)Oc3c4c(c(CC=C(C)C)c5c3C(=O)C3=CC(C)C(=O)C(Cl)(CC=C(C)C(=O)N(C)C(C)C(=O)NCc6cccc7ccccc67)C3(C(C)C(C)C)O5)OC(C)(CCC=C(C)C)C=C4)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
QED,Optimize the molecule c1ccc(N(c2ccc3cc(-c4ccc5oc6ccccc6c5c4)ccc3c2)c2ccc3sc4ccccc4c3c2)cc1 to have a lower QED value.,c1ccc(-c2c(-c3ccc4cc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)ccc4c3)ccc3oc4ccccc4c23)cc1
AtomNum,"The molecule consists of 16 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",C[NH2+]C(Cc1cccc(F)c1Cl)c1cnc2ccsc2c1
BondNum,"There is a molecule with 8 single bonds, 3 rotatable bonds, and 22 aromatic bonds.",Nc1nc(-c2ccccc2)nc2c1cnn2Cc1ccc(C(F)(F)F)cc1
FunctionalGroup,"The molecule has 1 amide group, and 1 nitro group.",CC(C)(C)OC(=O)N1CCC(C2NC(=O)CCC2[N+](=O)[O-])CC1
AddComponent,Modify the molecule Cc1ccn2c(C(CC(=O)NC(C)c3ccccc3)c3ccccc3)c[nH+]c2c1 by adding a aldehyde.,Cc1ccn2c(C(CC(=O)NC(C)c3ccccc3)c3ccccc3)c[nH+]c2c1CC=O
SubComponent,Modify the molecule halo by substituting a CCCCCC(Br)c1ccc(Cl)cc1 with a nitrile.,CCCCCC(C#N)c1ccc(Cl)cc1
DelComponent,Remove a halo from the molecule COc1ccc2nc(OCC3CCN(C(=O)c4ccc(Cl)s4)CC3)sc2c1.,COc1ccc2nc(OCC3CCN(C(=O)c4cccs4)CC3)sc2c1
LogP,Please modify the molecule Oc1ccc(F)cc1C[NH2+]CCc1c[nH]c2ccccc12 to decrease its LogP value.,Oc1ccccc1C[NH2+]CCc1c[nH]c2ccccc12
MR,Optimize the molecule COC(=O)c1ccccc1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O to have a higher MR value.,COC(=O)c1ccccc1OC1OC(CC#N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
QED,Please modify the molecule NC(N)=[NH+]CCCC(NC(=O)CNC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(CS)C(=O)[O-] to increase its QED value.,NC=[NH+]CCCC(NC(=O)CNC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(CS)C(=O)[O-]
AtomNum,"There is a molecule composed of 20 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CCNC(=O)c1ccc(C)c(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)c1
BondNum,"The molecule is composed of 13 single bonds, 1 double bond, 9 rotatable bonds, and 16 aromatic bonds.",Cc1nc(NCCc2c[nH]c3ccccc23)cc(C(=O)NCCC[NH+](C)C)n1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 1 amine group.",CCCNc1c(NC(=O)c2ccc(OCCC)cc2)c(=O)oc2ccccc12
AddComponent,Add a amine to the molecule O=S(=O)(C(=C[NH2+]Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.,Nc1cc(Cl)ccc1S(=O)(=O)C(=C[NH2+]Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
SubComponent,Substitute a Fc1ccc2ccc3c4ccc5ccc6ccc7ccc(c3c2c1)c1c7c6c5c41 in the molecule halo with a aldehyde.,CC(=O)c1ccc2ccc3c4ccc5ccc6ccc7ccc(c3c2c1)c1c7c6c5c41
DelComponent,Please remove a Clc1cnc(NCc2ncon2)nc1 from the molecule halo.,c1cnc(NCc2ncon2)nc1
LogP,Please modify the molecule CC(C)(C)Cc1cc(O)c(O)c(O)c1 to decrease its LogP value.,CC(C)(CO)Cc1cc(O)c(O)c(O)c1
MR,Modify the molecule C=CCNC(=O)NC1(c2ccccc2F)CCC1 to increase its MR value.,C=CCNC(=O)NC1(c2ccccc2S)CCC1
QED,Modify the molecule C[NH+]=C(NCc1cccs1)NCC1CN(C)CC[NH+]1C to decrease its QED value.,C[NH+]=C(NCc1cc(N)cs1)NCC1CN(C)CC[NH+]1C
AtomNum,"Please generate a molecule consisting 9 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=S(=O)(NCc1ccncc1)NC1CC1
BondNum,"The molecule is composed of 12 single bonds, 2 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",COc1ccc2c(c1)CCC1=C2NC(=S)NC1c1ccccc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 halo group.",COc1ccccc1CC(F)C[NH2+]C(C)(C)C
AddComponent,Add a benzene ring to the molecule CC1CCC2C(O)CCN2C1=O.,O=C1C(Cc2ccccc2)CCC2C(O)CCN12
SubComponent,Substitute a CCC(C)(C)C(CC)(C(=O)N(Oc1ccccc1)c1cc(Cl)c(C)c(Cl)c1O)C(C)(C)CC in the molecule hydroxyl with a thiol.,CCC(C)(C)C(CC)(C(=O)N(Oc1ccccc1)c1cc(Cl)c(C)c(Cl)c1S)C(C)(C)CC
DelComponent,Please remove a benzene ring from the molecule C[NH+](C)CCCNC(=O)CC(=O)NCCc1ccccc1F.,C[NH+](C)CCCNC(=O)CC(=O)NCCF
LogP,Please modify the molecule CC(C)(C)CC(C)(C)c1ccc(Oc2ccc3ccc(Oc4ccc(C(C)(C)CC(C)(C)C)cc4)c4c5c(Oc6ccc(C(C)(C)CC(C)(C)C)cc6)cc6c7c(cc(Oc8ccc(C(C)(C)CC(C)(C)C)cc8)c(c2c34)c57)c(=O)n2c3ccccc3c(=O)cc62)cc1 to decrease its LogP value.,CC(C)(C)CC(C)(C)Oc1ccc2ccc(Oc3ccc(C(C)(C)CC(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)cc5c(=O)n6c7ccccc7c(=O)cc6c6cc(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)c(c1c23)c4c56
MR,Please modify the molecule CCC1C[NH2+]C2(CCCC2)CN1c1cc(Cl)c(F)c(Cl)c1 to increase its MR value.,CC(C(=O)O)C1C[NH2+]C2(CCCC2)CN1c1cc(Cl)c(F)c(Cl)c1
QED,Modify the molecule CNC(c1ccc2c(c1)CCC(=O)N2C)C(F)(F)F to have a lower QED value.,CNC(c1ccc2c(c1)CCC(=O)N2C)C(F)(F)NO
AtomNum,"There is a molecule composed of 20 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CN(C(=O)COc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
BondNum,"The molecule consists of 5 single bonds, 3 rotatable bonds, and 16 aromatic bonds.",CNc1cn2ccnc2c(Oc2ccccc2Cl)n1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 1 amine group.",CCn1nc(C)cc1C(=O)Nc1ccc(CC(N)=S)cc1
AddComponent,Modify the molecule CC[NH2+]Cc1noc(-c2cccc(C(F)(F)F)c2F)n1 by adding a benzene ring.,CC[NH2+]Cc1noc(-c2c(-c3ccccc3)ccc(C(F)(F)F)c2F)n1
SubComponent,Substitute a halo in the molecule CCn1cc(Cl)c(C(=O)Nc2cc(Cl)ccc2C)n1 with a hydroxyl.,CCn1cc(O)c(C(=O)Nc2cc(Cl)ccc2C)n1
DelComponent,Modify the molecule halo by removing a [NH3+]CC1CCOC1c1ccsc1Cl.,[NH3+]CC1CCOC1c1ccsc1
LogP,Optimize the molecule CC(=O)Nc1ccc(Sc2ccc(C(=O)NC3C4CC[NH+](CC4)C3C)cc2)[nH]1 to have a lower LogP value.,CC(=O)Nc1ccc(Sc2ccc(C(=O)NC3C4CC[NH+](CC4)C3C)c(O)c2)[nH]1
MR,Optimize the molecule CC(C)c1c(N)cccc1[S-] to have a lower MR value.,CC(C)c1ccccc1[S-]
QED,Modify the molecule Cc1ccccc1C(=O)Nc1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)CC2)C(C)C)cc1Cl to decrease its QED value.,CC(=O)c1cc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)CC2)C(C)C)ccc1NC(=O)c1ccccc1C
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",NC(=O)CC(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1O
BondNum,"Please generate a molecule with 21 single bonds, 2 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",O=C(NCC(c1ccco1)[NH+]1CCOCC1)C(=O)NC1CCCCCC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 5 amide groups.",Cc1c(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)CC2)cccc1C(=O)N1CCCCC1
AddComponent,Add a hydroxyl to the molecule COc1ccc(C([O-])=C2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2c2cccnc2)c(O)c1.,COc1ccc(C([O-])=C2C(=O)C(=O)N(CCC[NH+]3CCOCC3O)C2c2cccnc2)c(O)c1
SubComponent,Substitute a halo in the molecule Nc1nc(Cl)c(OCc2ccccc2)c(Cl)n1 with a nitro.,Nc1nc(Cl)c(OCc2ccccc2)c(NO)n1
DelComponent,Modify the molecule hydroxyl by removing a Cc1ccc(NC(CO)c2ccc3ccccc3c2)cc1.,Cc1ccc(NC(C)c2ccc3ccccc3c2)cc1
LogP,Modify the molecule COc1c(Cl)cncc1-c1ccc(F)cc1 to have a lower LogP value.,COc1c(C(=O)[OH])cncc1-c1ccc(F)cc1
MR,Modify the molecule CC(=O)N1CCC(NC(=O)c2sc(C3CCCOC3)nc2C)CC1 to have a lower MR value.,Cc1nc(C2CCCOC2)sc1C(=O)NC1CCCC1
QED,Please optimize the molecule Nc1cc(C=O)c(N)nc1C(F)F to have a lower QED value.,Nc1cc(C=O)c(N)nc1CF
AtomNum,"The molecule has 28 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",COc1cccc(NC(=O)COC(=O)C2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)c1
BondNum,"The molecule is composed of 17 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",C[NH+]=C(NCc1cc(C(=O)OC)c(C)o1)NC1CCN(c2cccc(Cl)c2)C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",Cc1ccc(OCC[NH+]2CCC2(C)C(=O)Nc2ccc3c(c2)OCO3)cc1
AddComponent,Modify the molecule CCOc1cc(C=NNc2nc(=O)c(C(C)(C)C)n[nH]2)cc(Cl)c1OCC by adding a benzene ring.,CCOc1c(Cl)cc(C=NNc2nc(=O)c(C(C)(C)C)n[nH]2)cc1OC(C)c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule Cc1cc(O)ccc1NC(C)c1nc2ccccc2n1C with a carboxyl.,Cc1cc(C(=O)[OH])ccc1NC(C)c1nc2ccccc2n1C
DelComponent,Please remove a CC(C)(CCl)C(=O)NC1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 from the molecule amide.,CC(C)(CCl)C(=O)NC1CCN(C(=O)Cc23ccc([N+](=O)[O-])c-2C3=O)CC1
LogP,Please optimize the molecule CCOC(=O)c1cc(F)c(Br)c2c1[nH]c1ccccc12 to have a lower LogP value.,CCOC(=O)c1cc(NO)c(Br)c2c1[nH]c1ccccc12
MR,Modify the molecule CCc1noc(CC)c1CNC(NCc1cccc(F)c1)=[NH+]C to increase its MR value.,CCc1noc(CC)c1CNC(NCc1cccc(C(=O)[OH])c1)=[NH+]C
QED,Modify the molecule CC(C)(C)Cc1ccc(C(=O)NCc2cncnc2)cc1 to have a lower QED value.,CC(C)(C)Cc1ccc(C(=O)NCc2cncnc2)c(O)c1
AtomNum,"The molecule has 21 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(CCC(=O)NCCc2c[nH]c3cc(O)ccc23)cc1OC
BondNum,"The molecule has 5 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C(CO)C(=O)Oc1ccccc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 aldehyde group, and 1 halo group.",O=CCCCCCCCOc1ccc(Cl)cc1
AddComponent,Modify the molecule CCOC(=O)N1CCN(C(=O)C(C)n2cc(NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)c(C)n2)CC1 by adding a hydroxyl.,CCOC(=O)N1CCN(C(=O)C(C)n2cc(NC(=O)c3ccc(C(O)Oc4ccc(Br)cc4Cl)o3)c(C)n2)CC1
SubComponent,Substitute a halo in the molecule Brc1ccc(C2=NC(Cc3ccccc3)CO2)cc1 with a hydroxyl.,Oc1ccc(C2=NC(Cc3ccccc3)CO2)cc1
DelComponent,Please remove a benzene ring from the molecule CC1CN(C(=O)c2ccc(C(N)=O)cc2)CCC1c1ccccc1.,CC1CCCN(C(=O)c2ccc(C(N)=O)cc2)C1
LogP,Please modify the molecule CSCC(C)[NH+](C)CC(=O)c1ccc(O)cc1 to decrease its LogP value.,CSCC(C)[NH+](C)CC(=O)O
MR,Optimize the molecule Cc1ccc(S(=O)(=O)NC2CCN(c3ccccc3C(=O)N3CC[NH+](C4CCCC4)CC3)CC2)cc1 to have a higher MR value.,Cc1ccc(S(=O)(=O)NC2CCN(c3ccccc3C(=O)N3CC[NH+](C4CCCC4)CC3)CC2O)cc1
QED,Please modify the molecule COCCN1CC(O)=C(c2nc(C)c(C)s2)C1=[NH2+] to decrease its QED value.,COCCN1CC(S)=C(c2nc(C)c(C)s2)C1=[NH2+]
AtomNum,"There is a molecule with 13 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC1CC(NC(=O)c2ccc(C(=O)[O-])cc2)C1
BondNum,"The molecule has 7 single bonds, 5 rotatable bonds, and 16 aromatic bonds.",CC(C)Cn1ncnc1Cn1nnnc1-c1ccncc1
FunctionalGroup,The molecule is composed of and 1 amine group.,COCCOCCCCn1c(N)nc2c(OC)cccc21
AddComponent,Add a aldehyde to the molecule CCC1(O)CCN(C(=O)NC2CC(c3ccc(F)cc3)C2)C1.,CCC1(O)CCN(C(=O)NC2CC(c3ccc(F)cc3)C2)C1CC=O
SubComponent,Modify the molecule COCC(=O)Cc1cc(F)ccc1C by substituting a halo with a nitro.,COCC(=O)Cc1cc(NO)ccc1C
DelComponent,Remove a CC(C)CS(=O)(=O)N1CCC(CO)(C[NH+](C)C)CC1 from the molecule hydroxyl.,CC(C)CS(=O)(=O)N1CCC(C)(C[NH+](C)C)CC1
LogP,Please modify the molecule O=C(OCc1ccccc1)C1CC[NH2+]CCC1(F)F to decrease its LogP value.,N#CC1(F)CC[NH2+]CCC1C(=O)OCc1ccccc1
MR,Modify the molecule CCNc1nc(CCC(C)C)nc2sccc12 to have a higher MR value.,CC(C)CCc1nc(NC(C)O)c2ccsc2n1
QED,Modify the molecule COc1ccccc1C(=O)N1CCCCC1c1ncc[nH]1 to decrease its QED value.,COc1cccc(-c2ccccc2)c1C(=O)N1CCCCC1c1ncc[nH]1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",O=C(c1ccccc1)N1CCc2ccccc2C1Cn1ccnc1
BondNum,"Please generate a molecule composed of 24 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CC(C)Oc1cc(N(Cc2cccnc2)C(=O)C2=C(C(=O)OC3CCCC3)CCCC2)c(F)cc1Cl
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C(C)NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2C(=O)N2CCCC(C)C2)CC1
AddComponent,Please add a carboxyl to the molecule Nc1cc(-c2ccc(F)c(F)c2F)nc(N)n1.,Nc1cc(-c2c(C(=O)O)cc(F)c(F)c2F)nc(N)n1
SubComponent,Modify the molecule CCC(NS(=O)(=O)c1ccc(CO)cn1)c1cccs1 by substituting a hydroxyl with a nitro.,CCC(NS(=O)(=O)c1ccc(CNO)cn1)c1cccs1
DelComponent,Modify the molecule hydroxyl by removing a CCCC(C)(O)C[NH2+]C1CCc2ccccc21.,CCCC(C)C[NH2+]C1CCc2ccccc21
LogP,Modify the molecule Cc1ccccc1-n1ncc(C(=O)NCC(C)(O)C(=O)[O-])c1C(C)C to decrease its LogP value.,Cc1ccccc1-n1ncc(C(=O)NCC(C)(NO)C(=O)[O-])c1C(C)C
MR,Please optimize the molecule Cn1cc(S(=O)(=O)N2CC(c3cccc(Cl)c3)C(c3ccccc3)=N2)cn1 to have a lower MR value.,Cn1cc(S(=O)(=O)N2CC(c3ccccc3)C(c3ccccc3)=N2)cn1
QED,Modify the molecule COC(=O)c1cccc(C(CC2CCOCC2)C(=O)Nc2nccs2)c1 to have a lower QED value.,COC(=O)c1cccc(C(CC2CCOCC2)C(=O)Nc2nc(O)cs2)c1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 1 chlorine atom, and 1 bromine atom.",CC(C)N1C(=O)SC(=Cc2cc(Cl)cc(Br)c2O)C1=O
BondNum,"The molecule has 15 single bonds, 4 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",Cc1nc2cc(C3=CC=CCC3)nn2c(-c2ccc(=O)[nH]c2)c1C(OC(C)(C)C)C(=O)[O-]
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 hydroxyl group, and 1 amide group.",O=CNc1cc(CC[NH2+]CCN(C(=O)CC[NH2+]CCc2ccccc2)C2CCCCC2)ccc1O
AddComponent,Add a carboxyl to the molecule CCCCCCCCCC([NH3+])C(C)I.,CCCCCCCCCC([NH3+])C(C)(I)C(=O)O
SubComponent,Please substitute a COc1ccc([N+](=O)[O-])cc1NC(=O)CCCn1nc(-c2ccc(Br)cc2)ccc1=O in the molecule halo with a thiol.,COc1ccc([N+](=O)[O-])cc1NC(=O)CCCn1nc(-c2ccc(S)cc2)ccc1=O
DelComponent,Please remove a halo from the molecule Cc1ccc(NC(=O)C(C#N)=CNc2ccc(Br)c(C)c2)cc1.,Cc1ccc(NC(=O)C(C#N)=CNc2cccc(C)c2)cc1
LogP,Optimize the molecule Cc1ccc(C(=O)NCc2nc(C)cc(N3CCCC3)n2)cc1 to have a lower LogP value.,Cc1ccc(C(=O)NCc2nc(C)c(O)c(N3CCCC3)n2)cc1
MR,Optimize the molecule CCNC(=O)NC1(C(=O)NC(C)C(=O)[O-])CCCC1 to have a higher MR value.,CC(NC(=O)C1(NC(=O)NCCc2ccccc2)CCCC1)C(=O)[O-]
QED,Please modify the molecule CNc1[nH+]cc(NC(=O)C2CCCCCCCCCC2)c(N(C)CCCCI)c1CCI to decrease its QED value.,CNc1[nH+]cc(NC(=O)C2CCCCCCCCCC2)c(N(C)CCCCS)c1CCI
AtomNum,"There is a molecule composed of 11 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C[NH+](C)C)NS(=O)(=O)c1ccc(C(=O)[O-])cn1
BondNum,"Please generate a molecule consisting 20 single bonds, and 7 rotatable bonds.",CCOCCCCC1CCC(C2CCCCC2)CC1
FunctionalGroup,"Please generate a molecule composed of 1 amide group, 1 halo group, 1 thioether group, and 2 sulfide groups.",CC(Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)N1CCCCC1
AddComponent,Please add a benzene ring to the molecule COc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)C(CCC[NH3+])C(=O)N=C(N)N[N+](=O)[O-])cc1OC.,COc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2-c2ccccc2)C(CCC[NH3+])C(=O)N=C(N)N[N+](=O)[O-])cc1OC
SubComponent,Please substitute a hydroxyl in the molecule CC(C)(CCCO)C[NH2+]Cc1cccc(O)c1O with a thiol.,CC(C)(CCCS)C[NH2+]Cc1cccc(O)c1O
DelComponent,Remove a benzene ring from the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cc(C(=O)NC4CCCCC4)ccc3Cl)CC2)cccc1C(=O)Nc1cccc(F)c1.,Cc1c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cc(C(=O)NC4CCCCC4)ccc3Cl)CC2)cccc1C(=O)NF
LogP,Please optimize the molecule CC1CN(S(=O)(=O)c2ccc(CO)cc2F)CC(C)[NH+]1C to have a lower LogP value.,CC1CN(S(=O)(=O)c2ccc(CO)cc2)CC(C)[NH+]1C
MR,Modify the molecule CCC1C=CCCC2(CC3(C)CCC4C(C(=O)OCCCCCCCCCCCCC(O)CC(=O)N(CCC[NH3+])CCCC[NH3+])C5(CCCC(C)O5)[NH+]=C(N2)N43)O1 to have a lower MR value.,CCC1C=CCCC2(CC3(C)CCC4C(C(=O)OCCCCCCCCCCCCC(O)CC(=O)N(CCC[NH3+])CCCC[NH3+])C5(CCCC(C)O5)[NH+]=C2N43)O1
QED,Modify the molecule Cc1ccc(-c2nc(C)c(-c3cc(C(=O)N4CCN(c5ccccc5F)CC4)n[nH]3)s2)cc1 to have a higher QED value.,Cc1ccc(-c2nc(C)c(-c3cc(C(=O)N4CCN(c5ccccc5O)CC4)n[nH]3)s2)cc1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC1CC(S(=O)(=O)NCc2nc3ccccc3n2C2CC2)CCO1
BondNum,"There is a molecule with 29 single bonds, 3 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",COCc1ccc(S(=O)(=O)NCCOCC(=O)N2CCC(C3CC[NH+](C)CC3)CC2)c(C(F)(F)F)c1
FunctionalGroup,"The molecule has 2 benzene ring groups, and 1 sulfide group.",Cc1c(Cc2ccccc2CCc2ccccc2)c2ccsc2n1CC(=O)[O-]
AddComponent,Please add a hydroxyl to the molecule CC1(C)C(NC(=O)C(=NOCC(=O)NO)c2csc(N)n2)C(=O)N1OS(=O)(=O)[O-].,CC1(C)C(NC(=O)C(=NOC(O)C(=O)NO)c2csc(N)n2)C(=O)N1OS(=O)(=O)[O-]
SubComponent,Please substitute a halo in the molecule Cn1cnc(S(=O)(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1Cl with a nitro.,Cn1cnc(S(=O)(=O)Nc2ccc(NO)cc2[N+](=O)[O-])c1Cl
DelComponent,Please remove a benzene ring from the molecule CNC(=O)CCNC(=O)Nc1ccc(CCC(=O)[O-])cc1.,CNC(=O)CCNC(=O)NCCC(=O)[O-]
LogP,Please modify the molecule CCCCC(NC(=O)OCc1ccccc1)c1nc2ccc(-c3ccc4c(=O)c5cc(-c6[nH]c(C7CSCN7C(=O)OC(C)(C)C)c[nH+]6)ccc5oc4c3)cc2[nH]1 to decrease its LogP value.,CCCCC(NC(=O)OC)c1nc2ccc(-c3ccc4c(=O)c5cc(-c6[nH]c(C7CSCN7C(=O)OC(C)(C)C)c[nH+]6)ccc5oc4c3)cc2[nH]1
MR,Please optimize the molecule CCC[NH2+]C(c1cccc(F)c1)c1ccc(Br)cc1F to have a higher MR value.,CCC[NH2+]C(c1cccc(S)c1)c1ccc(Br)cc1F
QED,Modify the molecule CCCCNC(=O)c1ccc(CNC(NCc2cccc(C)c2)=[NH+]C)cc1 to have a higher QED value.,CCCCNC(=O)c1ccc(CNC(Cc2cccc(C)c2)=[NH+]C)cc1
AtomNum,"The molecule contains 16 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C(NCCc1nccs1)c1ccc(Oc2ccccc2)o1
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, 1 triple bond, 8 rotatable bonds, and 18 aromatic bonds.",CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1
FunctionalGroup,"Please generate a molecule with 4 amide groups, 2 halo groups, 1 sulfide group, and 1 sulfone group.",C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)CN1C(=O)C(CC(=O)N1CCCC(F)(F)C1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
AddComponent,Add a hydroxyl to the molecule O=C(Nc1cnc2ccccc2c1)c1ccc(OCC2CCCO2)cc1.,O=C(Nc1cnc2ccccc2c1)c1ccc(OCC2CCCO2)cc1O
SubComponent,Please substitute a halo in the molecule O=C(CNC(=O)c1cccc(Br)c1F)NC1CC1 with a aldehyde.,CC(=O)c1cccc(C(=O)NCC(=O)NC2CC2)c1F
DelComponent,Please remove a halo from the molecule O=C([O-])C(O)c1ccc2oc(Br)nc2c1.,O=C([O-])C(O)c1ccc2ocnc2c1
LogP,Modify the molecule O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOCc2cnccn2)CC1 to decrease its LogP value.,O=S(=O)(c1ccc(OC(O)(F)F)cc1)N1CCC(=NOCc2cnccn2)CC1
MR,Please optimize the molecule Cc1cc(=O)oc2cc(OC(=O)c3ccc(F)cc3F)ccc12 to have a higher MR value.,CC(=O)c1ccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(F)c1
QED,Modify the molecule N#Cc1cccc(N2C(=O)C(Nc3ccc(C(F)(F)F)cc3)=C(Sc3ccc(Cl)cc3)C2=O)c1 to decrease its QED value.,N#Cc1cc(N2C(=O)C(Nc3ccc(C(F)(F)F)cc3)=C(Sc3ccc(Cl)cc3)C2=O)ccc1O
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",Cn1ccnc1-c1cccc(NC(=O)N2CC3CCCC32)c1
BondNum,"There is a molecule composed of 15 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",Cc1ccccc1OCC(O)C[NH+]1CCN(Cc2cccs2)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",CCCOc1cc(C(=O)N(C)C)nn1-c1ccccc1
AddComponent,Please add a amine to the molecule C#CC1=C(CCC(=O)[O-])C(O)OC=C1.,NC#CC1=C(CCC(=O)[O-])C(O)OC=C1
SubComponent,Modify the molecule halo by substituting a CC(C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1ccnc1 with a hydroxyl.,CC(C(=O)N1CCN(c2ccc(O)cn2)CC1)n1ccnc1
DelComponent,Modify the molecule halo by removing a C[NH+]1CCC(F)(C[NH2+]C2CC2c2ccoc2)CC1.,C[NH+]1CCC(C[NH2+]C2CC2c2ccoc2)CC1
LogP,Please optimize the molecule Cc1cc(C)nc(Sc2c(C(=O)[O-])c(C)nn2C)n1 to have a higher LogP value.,Cc1cc(C)nc(Sc2c(C(=O)[O-])c(C)nn2Cc2ccccc2)n1
MR,Please modify the molecule Cc1ccc(-c2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])c(=O)[nH]2)cc1 to increase its MR value.,Cc1ccc(-c2ccc(C(=O)Nc3ccccc3[SH]=O)c(=O)[nH]2)cc1
QED,Optimize the molecule O=C([O-])CCc1c(-c2ccc(F)cc2)nn2cccnc12 to have a higher QED value.,O=C([O-])CCc1c(-c2ccc(F)cc2)nn2ccc(O)nc12
AtomNum,"The molecule has 13 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCCC(COC)NC(=O)c1c(N)c(C)nn1CC
BondNum,"Please generate a molecule with 9 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",c1ccc(-n2ccnc2NC2CCC[NH2+]C2)cc1
FunctionalGroup,"The molecule has 3 amine groups, and 2 sulfide groups.",C[NH+]=C(NCC[NH+]1CCc2sccc2C1)NCc1nc(C)c(C)s1
AddComponent,Modify the molecule CCOC(=O)C[NH+](Cc1ccccc1)CC(C)NC(=O)OCc1ccccc1 by adding a hydroxyl.,CCOC(=O)C[NH+](Cc1ccccc1)CC(C)NC(=O)OCc1cccc(O)c1
SubComponent,Please substitute a CCCOc1ccc(C[NH2+]C(C)C(C)CO)cc1 in the molecule hydroxyl with a carboxyl.,CCCOc1ccc(C[NH2+]C(C)C(C)CC(=O)[OH])cc1
DelComponent,Remove a halo from the molecule C[NH+]1CCN(CC(F)(F)C(=O)[O-])CC1.,C[NH+]1CCN(CC(F)C(=O)[O-])CC1
LogP,Modify the molecule CC(C)c1ccc(C[NH+](CC(=O)N2CC(=O)Nc3ccccc32)C2CC2)cc1 to increase its LogP value.,CC(C)c1ccc(C[NH+](C2CC2)C2C(=O)Nc3ccccc32)cc1
MR,Optimize the molecule COc1ccc(CNc2cn[nH]c2)cc1OC(F)F to have a lower MR value.,COc1ccc(CNc2cn[nH]c2)cc1OCF
QED,Please modify the molecule O=C([O-])CC1CCSc2c(F)cccc2C1 to decrease its QED value.,O=C([O-])CC1CCSc2ccccc2C1
AtomNum,"There is a molecule composed of 13 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",C[NH+]1CC=C(C(=O)[O-])C=C1c1cc(C(=O)[O-])ccn1
BondNum,"There is a molecule consisting of 10 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",O=C(NCc1cccc(Br)c1)c1cnc2sc3c(n2c1=O)CCCC3
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 halo group, and 1 sulfone group.",CCOC(=O)N1CCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)c[nH+]c3ccc(C)cc23)CC1
AddComponent,Please add a benzene ring to the molecule CCc1c(C)nn(CC(=O)Nc2ccc(N3CCCC3)c3ncccc23)c1C.,Cc1nn(CC(=O)Nc2ccc(N3CCCC3)c3ncccc23)c(C)c1C(C)c1ccccc1
SubComponent,Modify the molecule CC(C)(C)OC(=O)N1CCCC1CCNc1ccn2ncc(Br)c2n1 by substituting a halo with a nitrile.,CC(C)(C)OC(=O)N1CCCC1CCNc1ccn2ncc(C#N)c2n1
DelComponent,Please remove a halo from the molecule CC1CCCC(CO)(NCC(O)C(F)(F)F)C1.,CC1CCCC(CO)(NCC(O)C(F)F)C1
LogP,Modify the molecule CC(C=Cc1ccccc1)=NNC(=O)CNc1ccccc1Cl to decrease its LogP value.,CC(C=Cc1ccccc1)=NNC(=O)CNCl
MR,Please optimize the molecule CCCC(Cl)(C(=O)OC1CC1)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1 to have a lower MR value.,CCCC(Cl)(C(=O)OC1CC1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1
QED,Modify the molecule CC(C)OCCCNC(=O)NCC[NH+]1CCOCC1 to increase its QED value.,CC(Cc1ccccc1)OCCCNC(=O)NCC[NH+]1CCOCC1
AtomNum,"Please generate a molecule with 25 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 chlorine atoms.",C=C(Nc1ccccc1N)C(C#N)=Cc1ccc(Oc2ccc(Cl)cc2Cl)c(OCC)c1
BondNum,"The molecule contains 26 single bonds, 1 double bond, 1 triple bond, and 2 rotatable bonds.",CCC1CC(C)CC2(O)CC2C(C(=O)N2C(C#N)CC3CC32)[NH2+]C1C
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 1 hydroxyl group.",COc1ccccc1N1CCN(C(=O)Nc2ccccc2O)CC1
AddComponent,Modify the molecule CCOC(=O)C1=C(C)N(C)C(C)C(C#N)C1c1ccccc1Cl by adding a benzene ring.,CCOC(=O)C1=C(Cc2ccccc2)N(C)C(C)C(C#N)C1c1ccccc1Cl
SubComponent,Please substitute a hydroxyl in the molecule CC(C)C([NH2+]CCN1CCCCC1)C(=O)NC(=O)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C with a nitrile.,CC(C)C([NH2+]CCN1CCCCC1)C(=O)NC(=O)C(Cc1ccccc1)CC(C#N)C(Cc1ccccc1)NC(=O)OC(C)(C)C
DelComponent,Please remove a benzene ring from the molecule CCCCN(C(=O)c1nnc(N)s1)c1ccccc1.,CCCCNC(=O)c1nnc(N)s1
LogP,Please modify the molecule CC(C)C([NH3+])C(O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1 to increase its LogP value.,CC(C)C([NH3+])C(C#N)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
MR,Modify the molecule O=C(NCc1ccc(Cl)cc1)N1CC(c2ccc(F)cc2)C(c2ccc(F)cc2)=N1 to increase its MR value.,ONc1ccc(CNC(=O)N2CC(c3ccc(F)cc3)C(c3ccc(F)cc3)=N2)cc1
QED,Modify the molecule Cc1ccc(CN2CCc3cc(NC(=O)Cc4ccc(F)cc4)ccc32)s1 to have a higher QED value.,Cc1ccc(CN2CCc3cc(NC(=O)CF)ccc32)s1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 5 oxygen atoms, and 1 sulfur atom.",CCC1(C)OCC(C)(C)c2cc(OS(C)(=O)=O)ccc2O1
BondNum,"The molecule is composed of 17 single bonds, 3 double bonds, and 8 rotatable bonds.",C=CCOC(=O)N1CCCC1C(=O)OCCCCCC
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ketone group, 2 thioether groups, and 1 sulfide group.",COc1ccc(C(=O)C=C[NH+]2CCSCC2)cc1
AddComponent,Modify the molecule COc1cccc(-n2[nH]c(C)c(Br)c2=O)c1 by adding a amine.,COc1cc(N)cc(-n2[nH]c(C)c(Br)c2=O)c1
SubComponent,Substitute a hydroxyl in the molecule Cc1nc(N2CC(C)Cc3ccccc32)sc1CO with a aldehyde.,CC(=O)Cc1sc(N2CC(C)Cc3ccccc32)nc1C
DelComponent,Remove a halo from the molecule CN(CCCOc1ccc(F)cc1)C(=O)c1cc(Br)c[nH]1.,CN(CCCOc1ccc(F)cc1)C(=O)c1ccc[nH]1
LogP,Optimize the molecule CC1CCCCN1c1onc(-c2ccccc2)c1CN(CC[NH+]1CCOCC1)C(=O)c1cccc(F)c1 to have a lower LogP value.,CC1CCCCN1c1onc(-c2ccccc2)c1CN(CC[NH+]1CCOCC1)C(=O)c1cccc(C#N)c1
MR,Modify the molecule CCC(C)c1ccc(-n2c(CSCc3ccccc3)n[nH]c2=S)cc1 to decrease its MR value.,CCC(C)c1ccc(-n2c(CSC)n[nH]c2=S)cc1
QED,Modify the molecule CCC([NH3+])C(c1ccc(F)cc1)N(CCOC)CC(C)C to have a lower QED value.,CCC([NH3+])C(F)N(CCOC)CC(C)C
AtomNum,"The molecule consists of 18 carbon atoms, and 2 nitrogen atoms.",c1ccc(-c2[nH]c3ccccc3c2C2=NCCC2)cc1
BondNum,"Please generate a molecule consisting 8 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",O=C(C=Cc1ccc(Cl)cc1)Nc1cccc(-c2ccc(CO)o2)c1
FunctionalGroup,Please generate a molecule consisting and 3 benzene ring groups.,C=CC[Si](CC=C)(CC=C)CCC[Si](CCC[Si](CC=C)(CC=C)CC=C)(CCC[Si](CC=C)(CC=C)CC=C)CCC[Si](CCCN=P(c1ccccc1)(c1ccccc1)c1ccccc1)(CCC[Si](CCC[Si](CC=C)(CC=C)CC=C)(CCC[Si](CC=C)(CC=C)CC=C)CCC[Si](CC=C)(CC=C)CC=C)CCC[Si](CCC[Si](CC=C)(CC=C)CC=C)(CCC[Si](CC=C)(CC=C)CC=C)CCC[Si](CC=C)(CC=C)CC=C
AddComponent,Add a amine to the molecule CSc1nnc(NC(=O)COc2cccc(C(F)(F)F)c2)s1.,NCSc1nnc(NC(=O)COc2cccc(C(F)(F)F)c2)s1
SubComponent,Substitute a COc1ccccc1OCCCn1c(C2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 in the molecule halo with a nitro.,COc1ccccc1OCCCn1c(C2CC(=O)N(c3ccccc3NO)C2)nc2ccccc21
DelComponent,Modify the molecule Fc1cccc(C[NH+]2CCN(Cc3ccc(-c4cccnc4)cc3)CC2)c1 by removing a halo.,c1ccc(C[NH+]2CCN(Cc3ccc(-c4cccnc4)cc3)CC2)cc1
LogP,Modify the molecule Oc1cc2c(cc1O)C(c1ccccc1)OCCC2 to have a higher LogP value.,Oc1ccc2c(c1)CCCOC2c1ccccc1
MR,Modify the molecule O=S(=O)(CCNc1ccccc1)c1ccc(Br)cc1 to increase its MR value.,CC(=O)c1ccc(S(=O)(=O)CCNc2ccccc2)cc1
QED,Modify the molecule [NH3+]C(CSc1cc(F)ccc1F)c1ccccc1 to have a lower QED value.,Nc1cccc(C([NH3+])CSc2cc(F)ccc2F)c1
AtomNum,"The molecule is composed of 13 carbon atoms, 1 oxygen atom, 1 sulfur atom, and 2 chlorine atoms.",Cc1ccc(C(O)c2cc(C)c(Cl)s2)cc1Cl
BondNum,"Please generate a molecule with 16 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccc2c(c1)OCO2
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,Cc1[nH]c(C(C)(C)C)nc(=O)c1C(=O)N1CCC12CCC2
AddComponent,Modify the molecule COC(=O)C(CC(C)C)Nc1ccc(F)cc1N by adding a hydroxyl.,COC(=O)C(CC(C)C)Nc1c(N)cc(F)cc1O
SubComponent,Substitute a O=C([O-])Cc1cccc(S(=O)(=O)N2CC[NH+](CCc3ccc(Cl)cc3)CC2)c1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(CC[NH+]2CCN(S(=O)(=O)c3cccc(CC(=O)[O-])c3)CC2)cc1
DelComponent,Remove a nitrile from the molecule Cc1nc(C(=O)N2CCCc3ccccc3CC2)ccc1C#N.,Cc1cccc(C(=O)N2CCCc3ccccc3CC2)n1
LogP,Modify the molecule CCOCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)CC)cc2)c1 to increase its LogP value.,CCOCCOc1cccc(NC(C(=O)Nc2ccc(NC(=O)CC)cc2)c2ccccc2)c1
MR,Modify the molecule COc1cc(Br)c(COCc2ccccc2)c(OC)c1 to increase its MR value.,COc1cc(Br)c(COCc2ccccc2)c(OC)c1O
QED,Please modify the molecule O=C([O-])C1CN(C(=O)C2CCCCO2)CCO1 to decrease its QED value.,O=CCC1CCCC(C(=O)N2CCOC(C(=O)[O-])C2)O1
AtomNum,"The molecule contains 17 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCS(=O)(=O)c1ccccc1NCC(C)(O)c1cc(C)oc1C
BondNum,"Please generate a molecule consisting 4 single bonds, 4 rotatable bonds, and 57 aromatic bonds.",c1ccc(-c2cccc3c4ccccc4n(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc5c4sc4ccccc45)c23)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 2 halo groups.",CCC[NH2+]Cc1cc(OCc2ccc(Br)cn2)ccc1Br
AddComponent,Modify the molecule CC(Nc1ccc([N+](=O)[O-])cc1C#N)C(=O)NCc1ccco1 by adding a hydroxyl.,CC(Nc1ccc([N+](=O)[O-])cc1C#N)C(=O)NCc1ccc(O)o1
SubComponent,Modify the molecule halo by substituting a Cc1c(Cl)c(Br)cc2c(C(=O)OC(C)C(=O)c3ccc(OCc4ccccc4)cc3)cc(-c3ccc(N4C(=O)C5CCC(C)CC5C4=O)cc3)nc12 with a nitro.,Cc1c(NO)c(Br)cc2c(C(=O)OC(C)C(=O)c3ccc(OCc4ccccc4)cc3)cc(-c3ccc(N4C(=O)C5CCC(C)CC5C4=O)cc3)nc12
DelComponent,Modify the molecule benzene ring by removing a CN1C(=O)C2COCC1CN(c1nc(-c3ccccc3)nc3c1CCC3)C2.,CN1C(=O)C2COCC1CN(c1ncnc3c1CCC3)C2
LogP,Please modify the molecule CC(C)[NH+](CCC[NH+]1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1)C(C)C to increase its LogP value.,CC(C)[NH+](CCC[NH+]1CCC(c2ccccc2)C(C(=O)c2ccccc2)C1)C(C)C
MR,Please modify the molecule N#CCc1cc(O)c(C(F)F)nc1Cl to decrease its MR value.,Cc1cc(O)c(C(F)F)nc1Cl
QED,Please optimize the molecule CC([NH2+]CC1CCCCC1)=C(C=C(I)c1cc(OCC(C)C)nc(C(C)(C)C)c1)S(N)(=O)=O to have a higher QED value.,CC([NH2+]CC1CCCCC1)=C(C=Cc1cc(OCC(C)C)nc(C(C)(C)C)c1)S(N)(=O)=O
AtomNum,"The molecule contains 9 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",C[NH2+]C1CCCc2nc(C(F)(F)F)sc21
BondNum,"Please generate a molecule composed of 25 single bonds, 6 double bonds, 11 rotatable bonds, and 18 aromatic bonds.",CC(=O)OCC1OC(CC(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",C#CCCC(=O)NCCc1ccc(C(=O)[O-])cc1
AddComponent,Modify the molecule CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 by adding a amine.,CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N
SubComponent,Substitute a halo in the molecule CC(=O)NC1(c2ccc(F)cc2)CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 with a nitrile.,CC(=O)NC1(c2ccc(C#N)cc2)CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
DelComponent,Please remove a amide from the molecule CCC1=C([NH2+]Cc2ccc(OC)cc2)C(=O)NC1OCc1ccccc1.,CCC(COCc1ccccc1)[NH2+]Cc1ccc(OC)cc1
LogP,Modify the molecule C=CCn1ccc2ccc(C[NH2+]C)cc21 to decrease its LogP value.,C=CCn1ccc2ccc(C[NH2+]C)c(O)c21
MR,Please modify the molecule CCCNCCS(=O)(=O)NC(C)CC(C)CC to decrease its MR value.,CCCCCS(=O)(=O)NC(C)CC(C)CC
QED,Modify the molecule Cc1cccc(C(=O)NC2CCN(C(=O)C3=NNC(=O)CC3)CC2)c1 to have a lower QED value.,CC(=O)NC1CCN(C(=O)C2=NNC(=O)CC2)CC1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",O=C(C1CN(C(=O)c2ccc(Cl)s2)c2ccccc2O1)N1CCCCC1
BondNum,"Please generate a molecule composed of 5 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",CCCSc1nc2cc(N)ccc2s1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",O=C(NCCOc1cccc2ccccc12)c1ccc(C[NH+]2CCCCCC2)cc1
AddComponent,Modify the molecule O=C(CSc1nnc(CCc2ccccc2O)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] by adding a benzene ring.,O=C(CSc1nnc(CCc2ccccc2O)n1-c1ccccc1-c1ccccc1)Nc1ccccc1[N+](=O)[O-]
SubComponent,Substitute a hydroxyl in the molecule Cn1c(C#N)ccc1-c1ccc2c(c1)CCCC2(C)O with a carboxyl.,Cn1c(C#N)ccc1-c1ccc2c(c1)CCCC2(C)C(=O)[OH]
DelComponent,Modify the molecule O=C(C(=O)C(O)(C(=O)c1cc(O)c(O)c(O)c1)C(O)C(O)C(O)CO)c1cc(O)c(O)c(O)c1 by removing a hydroxyl.,CC(O)C(O)C(O)C(O)(C(=O)C(=O)c1cc(O)c(O)c(O)c1)C(=O)c1cc(O)c(O)c(O)c1
LogP,Optimize the molecule CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)cc(I)c1OCc1cccc(C)c1 to have a higher LogP value.,CCOc1cc(C=CC(=O)Nc2cccc(Br)c2)cc(I)c1OCc1cccc(C)c1
MR,Modify the molecule COC(=O)CCN(C)S(=O)(=O)c1ccc(Br)cc1F to increase its MR value.,COC(=O)CCN(C)S(=O)(=O)c1ccc(Br)cc1
QED,Modify the molecule CCOC(=O)C(=O)c1cc(F)c(Cl)c(F)c1OC to have a higher QED value.,CCOC(=O)C(=O)c1cc(S)c(Cl)c(F)c1OC
AtomNum,"The molecule consists of 24 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",Cc1nc2cc(F)cc(C(=O)NCC3(c4ccc5c(c4)OCO5)CCOCC3)c2nc1C
BondNum,"The molecule consists of 14 single bonds, 1 double bond, and 5 rotatable bonds.",CCC1CN(C(=O)CCCCBr)CCO1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amine group, 1 halo group, and 1 sulfone group.",Cc1cc(C)c(S(=O)(=O)NCc2ccc(-n3ccnc3)c(F)c2)c(C)c1
AddComponent,Modify the molecule C=C1CC(C(=O)OCC)(C(=O)OCC)CC1C12COCC1(C)C2 by adding a benzene ring.,C=C1CC(C(=O)OCC)(C(=O)OCC)CC1C12COCC1(C)C2c1ccccc1
SubComponent,Modify the molecule halo by substituting a COc1ccc2ncc(F)c(CC([NH3+])C3CCC([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CC3)c2c1 with a aldehyde.,CC(=O)c1cnc2ccc(OC)cc2c1CC([NH3+])C1CCC([NH2+]Cc2ccc3c(n2)NC(=O)CS3)CC1
DelComponent,Modify the molecule amine by removing a NS(=O)(=O)CCNC1=CC(=O)CC1.,O=C1C=C(NCC[SH](=O)=O)CC1
LogP,Please modify the molecule COc1nc(-c2csc(Nc3c4c(nn3C)CCCC4)n2)cnc1-n1cnc(C)c1 to decrease its LogP value.,COc1nc(-c2csc(-c3c4c(nn3C)CCCC4)n2)cnc1-n1cnc(C)c1
MR,Please modify the molecule CCNC(=O)c1ccc(N2CCC(O)C2)c(N)c1 to increase its MR value.,CCNC(=O)c1ccc(N2CCC(O)C2O)c(N)c1
QED,Modify the molecule CCOC(=O)c1cn(-c2ccc(F)cn2)c2c(F)c(N3CC(C)[NH2+]C(C)C3)c(F)cc2c1=O to have a higher QED value.,CCOC(=O)c1cn(-c2ccc(F)cn2)c2c(F)c(N3CC(C)[NH2+]C(C)C3)ccc2c1=O
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC(C)(c1ccc2[nH]c(=O)[nH]c2c1)N1CC[NH2+]CC1
BondNum,"Please generate a molecule with 16 single bonds, 3 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)CCO4)C2c2ccc(O)cc2)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 nitro group.",Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3cccc([N+](=O)[O-])c3)nc21
AddComponent,Modify the molecule O=C(CCc1ccccc1)Nc1nc(C(=O)Nc2ccc(F)cc2)cs1 by adding a amine.,Nc1cc(NC(=O)c2csc(NC(=O)CCc3ccccc3)n2)ccc1F
SubComponent,Substitute a halo in the molecule O=Nc1cccc(C(=O)NS(=O)(=O)c2ccc(C[NH+](CCSc3ccccc3)Cc3ccc(F)c(N=O)c3)cc2)c1 with a carboxyl.,O=Nc1cccc(C(=O)NS(=O)(=O)c2ccc(C[NH+](CCSc3ccccc3)Cc3ccc(C(=O)[OH])c(N=O)c3)cc2)c1
DelComponent,Modify the molecule amine by removing a NC(=S)NNc1ccc([N+](=O)[O-])o1.,NC(=S)Nc1ccc([N+](=O)[O-])o1
LogP,Please optimize the molecule CC([NH3+])C(C)(O)c1ccco1 to have a higher LogP value.,CC([NH3+])C(C)c1ccco1
MR,Modify the molecule CCOc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)C2c2ccc(OC)cc2)cc1 to have a lower MR value.,CCOc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)C2OC)cc1
QED,Modify the molecule CN1C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCCOc2ccc(C3CCCCC3)cc2)SC1=S to have a higher QED value.,CN1C(=O)C(=Cc2cccc(Cl)c2OCCOc2ccc(C3CCCCC3)cc2)SC1=S
AtomNum,"The molecule has 10 carbon atoms, 2 oxygen atoms, and 1 sulfur atom.",O=C([O-])C1=C(c2ccsc2)CCC1
BondNum,"The molecule is composed of 10 single bonds, 1 double bond, 4 rotatable bonds, and 23 aromatic bonds.",O=C1c2[nH]nc(-c3ccccc3)c2C(c2ccc(F)cc2)N1Cc1ccc(F)cc1
FunctionalGroup,"The molecule contains 2 amide groups, 1 amine group, and 1 sulfone group.",O=C1CC(C(=O)NC2CCS(=O)(=O)C2)NN1
AddComponent,Please add a hydroxyl to the molecule C(CC[NH+]1CCOCC1)C[NH2+]CCCC[NH+]1CCOCC1.,OC(CCC[NH+]1CCOCC1)[NH2+]CCCC[NH+]1CCOCC1
SubComponent,Please substitute a CC(CC(O)c1ccccc1)NC(=O)c1cccc(-n2cccn2)n1 in the molecule hydroxyl with a aldehyde.,CC(=O)C(CC(C)NC(=O)c1cccc(-n2cccn2)n1)c1ccccc1
DelComponent,Remove a amine from the molecule CCOC(C=O)CNc1cccc(CNC(C)=O)c1.,CCOC(C=O)Cc1cccc(CNC(C)=O)c1
LogP,Optimize the molecule Cc1ccc2c(NCC(O)(CC(C)(C)C3=C4OCCC4=CC(F)C3)C(F)(F)F)cccc2n1 to have a lower LogP value.,Cc1ccc2c(NCC(O)(CC(C)(C)C3=C4OCC(O)C4=CC(F)C3)C(F)(F)F)cccc2n1
MR,Please modify the molecule CN(C)c1ccc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1 to increase its MR value.,CN(C)c1ccc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c(O)c1
QED,Modify the molecule CCC(NC(=O)C1(COC)CC[NH2+]CC1)c1ccccc1 to decrease its QED value.,CCCNC(=O)C1(COC)CC[NH2+]CC1
AtomNum,"The molecule is composed of 25 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",CCn1c(=O)[nH]c2cc(C(=O)NC(c3ccccc3)c3ccc4nc[nH]c4c3)ccc2c1=O
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CC(C)OC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1N
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 3 halo groups.",CC(C)(NC(=O)Nc1ccccc1C(F)(F)F)c1cn(-c2ccccc2)nn1
AddComponent,Add a hydroxyl to the molecule CCC(C)CC1=CC(=O)CC(C)(C)C1.,CC(O)C(C)CC1=CC(=O)CC(C)(C)C1
SubComponent,Modify the molecule nitro by substituting a CCNC(=O)N1CCCN(c2nc(NCc3ccc4c(c3)OCO4)c3ncn(Cc4ccc([N+](=O)[O-])cc4)c3n2)CC1 with a thiol.,CCNC(=O)N1CCCN(c2nc(NCc3ccc4c(c3)OCO4)c3ncn(Cc4ccc([SH]=O)cc4)c3n2)CC1
DelComponent,Please remove a C[NH+]1CCC23c4c5ccc(O)c4OC2CC=CC3C1C5 from the molecule hydroxyl.,C[NH+]1CCC23c4c5cccc4OC2CC=CC3C1C5
LogP,Please modify the molecule COCC(C(C)C)n1c(CCl)nc2c(OC)cccc21 to decrease its LogP value.,COCC(C(C)C)n1c(CC#N)nc2c(OC)cccc21
MR,Modify the molecule CC(C)CC(=O)NC(NC(=O)CC(C)C)c1ccc(F)cc1 to have a higher MR value.,CC(C)CC(=O)NC(NC(=O)CC(C)C)c1ccc(O)cc1
QED,Modify the molecule [NH3+]Cc1ccc(-c2cn3c([nH+]2)CCC3)cc1 to decrease its QED value.,[NH3+]Cc1cn2c([nH+]1)CCC2
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1cc(C)c(S(=O)(=O)NCC2(C(=O)[O-])CC2)c(C)c1
BondNum,"Please generate a molecule with 26 single bonds, 5 double bonds, 14 rotatable bonds, and 6 aromatic bonds.",CCNC(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(C)C)C(N)=O)C(C)C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, and 3 amide groups.",CC(C)(C)NC(=O)C1CCCCC1CC(O)C(Cc1ccccc1)NC(=O)C([NH3+])CC(N)=O
AddComponent,Please add a hydroxyl to the molecule CC(C)(C(=O)[O-])n1cc(NC(=O)CCc2nc(C3CCCC3)no2)cn1.,CC(CO)(C(=O)[O-])n1cc(NC(=O)CCc2nc(C3CCCC3)no2)cn1
SubComponent,Substitute a hydroxyl in the molecule C=CC=CC(O)C1C=CCCC1 with a aldehyde.,CC(=O)C(C=CC=C)C1C=CCCC1
DelComponent,Remove a CC(=O)Nc1cccc(-c2ccc(S(=O)(=O)Nc3nnc(CC(=O)N4CCOCC4)s3)cc2)c1 from the molecule amide.,O=C(Cc1nnc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)s1)N1CCOCC1
LogP,Optimize the molecule CCOc1ccc(C(=O)Nc2ccnn2Cc2ccccc2Br)cc1OC to have a lower LogP value.,CCOc1ccc(C(=O)Nc2ccnn2Cc2c(O)cccc2Br)cc1OC
MR,Modify the molecule CN(CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C(=O)CNC(=O)C([NH3+])Cc1ccccc1 to have a higher MR value.,CN(CC(=O)Nc1nc2ccc(OC(F)(F)NO)cc2s1)C(=O)CNC(=O)C([NH3+])Cc1ccccc1
QED,Please modify the molecule Cc1cc(OCCCc2ccccc2)c(CO)cn1 to decrease its QED value.,Cc1cc(OCCCc2ccccc2)c(C)cn1
AtomNum,"The molecule consists of 13 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCC1(C)CC([NH2+]CC2CC(O)C2)CCO1
BondNum,"Please generate a molecule with 8 single bonds, 3 double bonds, 4 rotatable bonds, and 22 aromatic bonds.",CC(=O)Nc1cccc(-c2ccc(-c3cc4c(Br)cnn4c(S(C)(=O)=O)n3)cc2)c1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 amide group, 1 amine group, 6 halo groups, 2 nitrile groups, and 1 sulfone group.",CC(C)(F)CC(NC(c1ccc(-c2ccc(S(C)(=O)=O)cc2Cl)cc1)C(F)(F)F)C(=O)NC(C#N)Cc1ccc(C#N)cc1F
AddComponent,Please add a amine to the molecule C=CCOc1ccc(C=NNC(=O)CSc2ccc(Cl)cc2)cc1Br.,C=CCOc1ccc(C=NNC(=O)CSc2ccc(Cl)c(N)c2)cc1Br
SubComponent,Modify the molecule nitrile by substituting a CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4cnn(CCCOCc5ccccc5)c4)nc4ccsc34)cn2)C1 with a aldehyde.,CC(=O)CC1(n2cc(-c3nc(Nc4cnn(CCCOCc5ccccc5)c4)nc4ccsc34)cn2)CN(S(=O)(=O)CC)C1
DelComponent,Please remove a halo from the molecule CCOC(OC(C)(F)F)=C(F)F.,CCOC(=CF)OC(C)(F)F
LogP,Please optimize the molecule CCNC(NCCNc1ncccc1C(F)(F)F)=[NH+]Cc1ccc(N2CCCC2=O)cc1 to have a lower LogP value.,CCNC(NCCNc1ncccc1C(F)(F)F)=[NH+]CN1CCCC1=O
MR,Modify the molecule COc1ccc(Cn2c(=O)c3c(OC)c(C(=O)NC4CCN(C(=O)OCc5ccccc5)CC4)sc3c3ccccc32)cc1 to increase its MR value.,COc1ccc(Cn2c(=O)c3c(OC)c(C(=O)NC4(N)CCN(C(=O)OCc5ccccc5)CC4)sc3c3ccccc32)cc1
QED,Modify the molecule NC(=O)c1cnc(N2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 to decrease its QED value.,NC(=O)c1cnc(N2CCC(C[NH+]3CCOCC3)CC2)c(O)c1
AtomNum,"The molecule has 23 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, 1 chlorine atom, and 1 bromine atom.",Cc1cc(Cl)ccc1OCc1csc(C(=O)Nc2nn(Cc3ccccc3F)cc2Br)c1
BondNum,"Please generate a molecule composed of 11 single bonds, 4 double bonds, and 6 rotatable bonds.",C=CCC(O)(CC=C)CC1C=CC=CC1
FunctionalGroup,"Please generate a molecule composed of 1 ketone group, 1 amide group, and 1 sulfide group.",O=C(C=CC1CC1)CCC(=O)N1CC[NH+](Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
AddComponent,Please add a carboxyl to the molecule CCCC(NC(=O)C1CC(OC(=O)N2CCc3ccccc3C2)CN1C(=O)C(NC(=O)C(NC(=O)CCCCC(=O)NC)C(C)C)C(C)C)C(O)C(=O)NC1CC1.,CCCC(NC(=O)C1CC(OC(=O)N2CCc3ccccc3C2)(C(=O)O)CN1C(=O)C(NC(=O)C(NC(=O)CCCCC(=O)NC)C(C)C)C(C)C)C(O)C(=O)NC1CC1
SubComponent,Please substitute a halo in the molecule O=C1c2ccc3c4cccc5c(Br)ccc(c6ccc(c2c36)C(=O)N1C1CCCCC1)c54 with a thiol.,O=C1c2ccc3c4cccc5c(S)ccc(c6ccc(c2c36)C(=O)N1C1CCCCC1)c54
DelComponent,Please remove a Cc1nc(CC(O)C2CC3CCC(C2)[NH+]3C)sc1C from the molecule hydroxyl.,Cc1nc(CCC2CC3CCC(C2)[NH+]3C)sc1C
LogP,Please optimize the molecule CN(CCc1cccs1)c1nc(NN)c(F)cc1F to have a lower LogP value.,CN(CCc1cccs1)c1nc(NN)c(C(=O)[OH])cc1F
MR,Optimize the molecule COc1cccc(C(=O)N(C)Cc2ccc3ccccc3c2)c1 to have a lower MR value.,COC(=O)N(C)Cc1ccc2ccccc2c1
QED,Please optimize the molecule CC(C)S(=O)NC1CCc2cc(COc3ccccc3Br)ccc21 to have a higher QED value.,CC(C)S(=O)NC1CCc2cc(COc3ccccc3S)ccc21
AtomNum,"The molecule is composed of 16 carbon atoms, 1 nitrogen atom, and 2 bromine atoms.",CCC[NH2+]C(c1ccccc1)c1cc(Br)cc(Br)c1
BondNum,"Please generate a molecule with 9 single bonds, 2 double bonds, 6 rotatable bonds, and 27 aromatic bonds.",O=C(NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1)c1ccccc1Cl
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, and 3 halo groups.",COc1ccc(F)cc1CNC(=O)N1CC(F)(F)CC1CO
AddComponent,Please add a carboxyl to the molecule C=CC(=CC=C(C)c1cccc(S(N)(=O)=O)c1-c1nn[n-]n1)C[NH2+]C.,C=CC(=CC(C(=O)O)=C(C)c1cccc(S(N)(=O)=O)c1-c1nn[n-]n1)C[NH2+]C
SubComponent,Please substitute a COc1ccc(Cl)cc1NC(=O)c1ccc(Nc2ccc3c(c2)OCO3)nc1 in the molecule halo with a carboxyl.,COc1ccc(C(=O)[OH])cc1NC(=O)c1ccc(Nc2ccc3c(c2)OCO3)nc1
DelComponent,Modify the molecule CCc1ccc(OCCC(=O)c2ccccc2)cc1 by removing a benzene ring.,CCOCCC(=O)c1ccccc1
LogP,Please optimize the molecule CCC1CC2(CC(=O)OC(=O)C2)CC2=C1C(=O)OC2=O to have a lower LogP value.,CCC1CC2(CC(=O)OC(=O)C2N)CC2=C1C(=O)OC2=O
MR,Optimize the molecule O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3ccccc3F)n2c1 to have a higher MR value.,O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3c(O)cccc3F)n2c1
QED,Modify the molecule CCOC(=O)Cn1c(Cl)cnc(NCCc2ccccc2)c1=O to decrease its QED value.,CCOC(=O)Cn1ccnc(NCCc2ccccc2)c1=O
AtomNum,"The molecule consists of 17 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",COc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)Nc1cccc(C)c1C
BondNum,"The molecule consists of 16 single bonds, 5 double bonds, and 2 rotatable bonds.",CC1=NN(C(=O)OC(C)Cl)N=C(C)C1C1C=COC1=O
FunctionalGroup,"Please generate a molecule consisting 1 ester group, and 1 halo group.",COC(=O)c1c[nH]c2c(Br)cc(C)cc2c1=O
AddComponent,Please add a carboxyl to the molecule CC(C)Cc1nc2ccc(C(O)C[NH3+])cn2n1.,CC(CC(=O)O)Cc1nc2ccc(C(O)C[NH3+])cn2n1
SubComponent,Substitute a halo in the molecule CCOc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)ccc1Cl with a nitro.,CCOc1cc(S(=O)(=O)N2CCN(c3cccc(NO)c3C)CC2)ccc1Cl
DelComponent,Modify the molecule benzene ring by removing a COc1ccccc1-c1csc(CCCOc2ccc(OCC(=O)[O-])c(C)c2)n1.,COc1csc(CCCOc2ccc(OCC(=O)[O-])c(C)c2)n1
LogP,Optimize the molecule Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)N4CCCC(C)C4)c3)CC2)c1 to have a higher LogP value.,Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)CCNC(=O)C2CC[NH+](C(C(=O)Nc3ccc(Cl)c(C(=O)N4CCCC(C)C4)c3)c3ccccc3)CC2)c1
MR,Please modify the molecule CC(C(N)=[NH2+])[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 to decrease its MR value.,CC(C=[NH2+])[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1
QED,Modify the molecule CC(Cl)C(=CP(=O)([O-])[O-])C(C)Cl to decrease its QED value.,CCC(=CP(=O)([O-])[O-])C(C)Cl
AtomNum,"The molecule has 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCCC(C)(C[NH2+]C)CN(C)c1ccccc1OC
BondNum,"There is a molecule consisting of 6 single bonds, 3 double bonds, 1 rotatable bond, and 6 aromatic bonds.",NS(=O)(=O)C1NC(=O)c2ccccc21
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 2 halo groups.",Clc1ccc(-c2cccc(C[NH2+]CC3C[NH2+]C3)c2)c(Br)c1
AddComponent,Please add a amine to the molecule CC(C)c1noc(-c2cccc(CC[NH3+])c2)n1.,CC(CN)c1noc(-c2cccc(CC[NH3+])c2)n1
SubComponent,Please substitute a hydroxyl in the molecule CN(C)C(=O)COc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 with a nitrile.,CN(C)C(=O)COc1ccc(S(=O)(=O)N2CCC(C#N)CC2)cc1
DelComponent,Remove a halo from the molecule CCCCc1nc(Cl)c(CNc2cnn(CC)c2)[nH]1.,CCCCc1ncc(CNc2cnn(CC)c2)[nH]1
LogP,Modify the molecule C[NH+](Cc1cc2c(cc(B(O)O)n2C(=O)OC(C)(C)C)s1)CC(C)(C)C to have a higher LogP value.,CC(=O)B(O)c1cc2sc(C[NH+](C)CC(C)(C)C)cc2n1C(=O)OC(C)(C)C
MR,Please modify the molecule CC(CCl)NC(=O)c1ccc(Br)cc1F to decrease its MR value.,CC(CCl)NC(=O)c1ccccc1F
QED,Please modify the molecule Cc1c(Cl)cnn1CC(=O)Nc1cnn(Cc2ccccc2Cl)c1 to increase its QED value.,Cc1c(Cl)cnn1CC(=O)Nc1cnn(CCl)c1
AtomNum,"The molecule is composed of 18 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(C)C(NC(=O)Cc1ccccc1)C(=O)N1CCC(C[NH3+])C1
BondNum,"There is a molecule with 6 single bonds, 1 rotatable bond, and 17 aromatic bonds.",Cc1ccc(C)c(-c2nc(Cl)c3c(F)ccc(C)c3n2)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, and 2 halo groups.",Nc1ccn(C(=O)c2ccc(Cl)c(Cl)c2)n1
AddComponent,Please add a benzene ring to the molecule Cc1cc(Cl)c(S(=O)(=O)NCCC(F)(F)F)cc1N.,Cc1cc(Cl)c(S(=O)(=O)NCC(c2ccccc2)C(F)(F)F)cc1N
SubComponent,Please substitute a N#Cc1cc(C(F)F)nc(N)c1S(=O)(=O)Cl in the molecule halo with a nitrile.,N#Cc1cc(C(F)C#N)nc(N)c1S(=O)(=O)Cl
DelComponent,Remove a amide from the molecule CC1CC=C2OC=C1C(=O)NCC1CCC(CC1)SCCNc1cc2ccn1.,CC1CC=C2OCC1C1CCC(CC1)SCCNc1cc2ccn1
LogP,Optimize the molecule CS(=O)(=O)Nc1nc2cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c2[nH]c1=O to have a lower LogP value.,CS(=O)(=O)Nc1nc2c(O)c(C(F)(F)F)c(Cl)c([N+](=O)[O-])c2[nH]c1=O
MR,Please modify the molecule Cc1ccc(Br)cc1C(=O)NC1CCCOC1 to increase its MR value.,CC(=O)c1ccc(C)c(C(=O)NC2CCCOC2)c1
QED,Modify the molecule CC(C)OCCC(C(C)C)C(C)Cl to have a lower QED value.,CCC(CCOC(C)C)C(C)C
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",CCc1ccc(F)c2cc(Cl)sc12
BondNum,"The molecule consists of 10 single bonds, 2 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",CC(=O)Nc1cccc(Nc2cncc(C(=O)Nc3cc(C)cc(C)c3)c2)c1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, and 2 halo groups.",COc1ccc(C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1
AddComponent,Modify the molecule CCCCOC(=O)C(CC(C)C)NC(=O)c1ccccc1 by adding a benzene ring.,CCCCOC(=O)C(CC(C)C)NC(=O)c1ccccc1-c1ccccc1
SubComponent,Substitute a CCCC1=C(Br)C(=O)OC1=CBr in the molecule halo with a nitro.,CCCC1=C(NO)C(=O)OC1=CBr
DelComponent,Please remove a thiol from the molecule O=C(CC1(CS)CC1)NC1CC2CCC1O2.,CC1(CC(=O)NC2CC3CCC2O3)CC1
LogP,Modify the molecule CC1CCC[NH2+]C1C(=O)N1CCN(CCC#N)CC1 to have a lower LogP value.,CC1CCC[NH2+]C1C(=O)N1CCN(CCC(=O)[OH])CC1
MR,Please optimize the molecule C#CCC[NH+]1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)CC1 to have a lower MR value.,C#CCC[NH+]1CCN(c2cc(C)cc3nc4ccccc4n23)CC1
QED,Please optimize the molecule CCc1ccc2nc(-c3cc(Cl)cc(Cl)c3)sc2c1 to have a lower QED value.,CCc1ccc2nc(-c3cc(Cl)cc(Cl)c3)sc2c1-c1ccccc1
AtomNum,"The molecule consists of 10 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",C=CCC([NH2+]CC)c1sccc1Br
BondNum,"There is a molecule consisting of 22 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CC(=O)OC(CN1C(=O)c2ccccc2C1=O)CN(C(=O)[O-])c1ccc(N2CCOCC2)c(F)c1
FunctionalGroup,"The molecule has 1 hydroxyl group, 1 halo group, and 1 sulfide group.",OCc1c([S-])sc2cc(CBr)ccc12
AddComponent,Modify the molecule COc1ccc(Cl)cc1C(N)=[NH+]OC(=O)CCn1nc(C(F)(F)F)cc1C by adding a carboxyl.,COc1ccc(Cl)cc1C(N)=[NH+]OC(=O)C(Cn1nc(C(F)(F)F)cc1C)C(=O)O
SubComponent,Modify the molecule halo by substituting a Cc1cc(C(O)c2c(C)cccc2C)ccc1F with a nitro.,Cc1cc(C(O)c2c(C)cccc2C)ccc1NO
DelComponent,Modify the molecule benzene ring by removing a Cc1ccccc1NC(=O)C(NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)cc1.,Cc1ccccc1NC(=O)C(Cl)NC(=O)CSc1nc2ccccc2s1
LogP,Please modify the molecule CC(=O)Nc1cccc(OCC(C)(O)C(=O)[O-])c1 to decrease its LogP value.,CC(=O)Nc1cccc(OC(N)C(C)(O)C(=O)[O-])c1
MR,Modify the molecule CCOC(=O)c1cc(C=Cc2cccc(C(F)(F)F)c2)on1 to decrease its MR value.,CCOC(=O)c1cc(C=Cc2cccc(C(F)F)c2)on1
QED,Optimize the molecule CC(C[NH2+]C(C)c1ccc(O)cc1O)c1nccs1 to have a higher QED value.,CC(C[NH2+]C(C)c1ccccc1O)c1nccs1
AtomNum,"There is a molecule with 16 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",O=C([O-])C1CCCC(C(=O)NCCc2ccccc2Cl)C1
BondNum,"The molecule contains 121 single bonds, 27 double bonds, 78 rotatable bonds, and 24 aromatic bonds.",CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCC[NH3+])C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)[O-])C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(C)C(=O)NC(CS)C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)C
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 sulfide group.",COc1ccccc1CCNC(=O)c1ccc(C[NH+](CCC(C)C)Cc2ccc(C)s2)o1
AddComponent,Modify the molecule CCC1=CC(=C(C)C2=C(C)C(C)=CC2)C(C)(C)C1(C)C by adding a amine.,CCC1=CC(=C(C)C2=C(C)C(C)=CC2N)C(C)(C)C1(C)C
SubComponent,Substitute a halo in the molecule Cc1cccc(-c2cc(Nc3nccc(C(F)(F)F)n3)cc(N3CCOCC3)c2)n1 with a carboxyl.,Cc1cccc(-c2cc(Nc3nccc(C(F)(F)C(=O)[OH])n3)cc(N3CCOCC3)c2)n1
DelComponent,Please remove a amide from the molecule C[NH+]1CCN(Nc2snc(N)c2C(=O)NC2CC2)CC1.,C[NH+]1CCN(Nc2(C3CC3)snc-2N)CC1
LogP,Modify the molecule Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1 to have a higher LogP value.,Cn1nnnc1Sc1ccc(C(=O)N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1
MR,Modify the molecule CCNC(=O)NC[NH+]=CNC(=O)c1nc(Cl)c(N2CCCC2)nc1N to decrease its MR value.,CCNC(=O)NCCNC(=O)c1nc(Cl)c(N2CCCC2)nc1N
QED,Modify the molecule O=C(C1CCCN1C(=O)OCc1ccccc1)N1CCCC1CO to decrease its QED value.,O=C(C1CCCN1C(=O)OCc1ccccc1)N1CCCC1CBr
AtomNum,"The molecule is composed of 26 carbon atoms, 2 oxygen atoms, and 1 bromine atom.",CC1CCC(C(C)C)C(Oc2ccc(OC3CC(C)CCC3C(C)C)c(Br)c2)C1
BondNum,"Please generate a molecule consisting 21 single bonds, 1 double bond, and 3 rotatable bonds.",O=C(NCC1CCCC1)C12CC3CC(CC(C3)C1)C2
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amine group, and 2 halo groups.",COc1ccc(NC(C)c2cc(F)cc(F)c2)c(OC)c1
AddComponent,Add a hydroxyl to the molecule COc1ccc2c(c1)CCCN2c1nc(NC2CC2)nc2ccccc12.,COc1ccc2c(c1)CCCN2c1nc(NC2CC2)nc2ccc(O)cc12
SubComponent,Modify the molecule hydroxyl by substituting a CCCc1cccc(C2(O)CCC[NH+](CC)CC2)c1 with a aldehyde.,CC(=O)C1(c2cccc(CCC)c2)CCC[NH+](CC)CC1
DelComponent,Please remove a halo from the molecule COc1c(C#N)ccc2cc(F)sc12.,COc1c(C#N)ccc2ccsc12
LogP,Optimize the molecule O=S1(=O)CCC(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)C1 to have a higher LogP value.,O=S1(=O)CCC(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(-c3ccccc3)n2)C1
MR,Optimize the molecule Cc1ccc(OC(F)F)c2ccccc12 to have a higher MR value.,Cc1ccc(OC(F)S)c2ccccc12
QED,Modify the molecule CC(C)(C)OC(=O)N1CCC(F)(C#C[Si](C)(C)C)CC1 to have a higher QED value.,CC(C)(C)OC(=O)N1CCC(C#C[Si](C)(C)C)(C(=O)[OH])CC1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cc1nc2ncnn2c(C)c1CCC(=O)NCC(C)(O)C(C)C
BondNum,"Please generate a molecule consisting 19 single bonds, 4 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1Cl
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 sulfone group.",CCS(=O)(=O)CC(O)COc1ccc(N2CCC(Oc3ccc(C)cc3)C2=O)cc1OC
AddComponent,Modify the molecule Cc1ccc2c(c1)C(C)(C)c1cc(Nc3ccccc3)ccc1-2 by adding a amine.,CC1(C)c2cc(CN)ccc2-c2ccc(Nc3ccccc3)cc21
SubComponent,Substitute a halo in the molecule COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)COc4ccccc4)n3-c3ccc(F)cc3)C(c3ccc(F)cc3)C2)cc1 with a nitrile.,COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)COc4ccccc4)n3-c3ccc(C#N)cc3)C(c3ccc(F)cc3)C2)cc1
DelComponent,Please remove a O=C([O-])CC1CCCN1C(=O)c1cc(Cl)c2c(c1)OCO2 from the molecule halo.,O=C([O-])CC1CCCN1C(=O)c1ccc2c(c1)OCO2
LogP,Optimize the molecule O=C(NCCOCCNC(=O)OCc1ccccc1)OCc1ccccc1 to have a lower LogP value.,COC(=O)NCCOCCNC(=O)OCc1ccccc1
MR,Modify the molecule Cc1ccccc1-[n+]1sc(N)nc1-c1ccccc1 to decrease its MR value.,Cc1ccccc1-[n+]1cnc(N)s1
QED,Optimize the molecule Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1NC(=O)CNC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCC3)c2)CC1 to have a lower QED value.,Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1NC(=O)CNC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCC3)c2)CC1
AtomNum,"The molecule contains 13 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cc([N-]S(=O)(=O)c2cccc(O)c2)ccc1[N+](=O)[O-]
BondNum,"The molecule consists of 11 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",S=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(c2ccccc2)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 nitrile group.",N#Cc1ccc(C2CCC3C(=O)NCc4ncn2c43)cc1
AddComponent,Modify the molecule COc1ccc(C[NH+]2C3CC2CN(c2ccc(-c4cc(OCC5CC[NH+](C)CC5)cn5ncc(C#N)c45)cn2)C3)cn1 by adding a hydroxyl.,COc1ccc(C[NH+]2C3CC2CN(c2ccc(-c4cc(OCC5CC[NH+](C)CC5)cn5ncc(C#N)c45)cn2)C3)c(O)n1
SubComponent,Please substitute a halo in the molecule CC(C)(Br)C(=O)NC1CS(=O)(=O)C1 with a nitro.,CC(C)(NO)C(=O)NC1CS(=O)(=O)C1
DelComponent,Please remove a benzene ring from the molecule CC(C)=C(S)C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1.,CC(C)=C(S)C(=O)Nn1nc(C2CC2)cc1C1CC1
LogP,Please modify the molecule COc1ccc(C(=O)O[NH+]=C(N)c2cc(Cl)ccc2OC)cc1COc1cc(C)ccc1C to decrease its LogP value.,CC(=O)c1ccc(OC)c(C(N)=[NH+]OC(=O)c2ccc(OC)c(COc3cc(C)ccc3C)c2)c1
MR,Please optimize the molecule CCc1ccc(OCCCN2C(=O)COc3ccc(NC(=O)c4cccc(Cl)c4)cc32)cc1 to have a lower MR value.,CCc1ccc(OCCCN2C(=O)COc3ccc(NC(=O)c4ccccc4)cc32)cc1
QED,Modify the molecule Cc1ccc(-c2nc3ccc(N)cn3c2CC#N)cc1C to have a lower QED value.,Cc1ccc(-c2nc3ccccn3c2CC#N)cc1C
AtomNum,"There is a molecule composed of 13 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",CC1CC[NH2+]C(C)(Cc2ccccc2F)S1
BondNum,"There is a molecule consisting of 13 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC(NOCC(F)(F)F)c1ccc(OC(F)F)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 halo groups.",CCC[NH2+]C(c1ccc(Cl)c(Cl)c1)C1CC1(C)C
AddComponent,Add a amine to the molecule CC1=C(C)OC(C=NNC(=O)c2ccc(O)cc2)C1.,CC1=C(C)OC(C=NNC(=O)c2ccc(O)cc2N)C1
SubComponent,Please substitute a CC1CCC[NH+](CC(=O)c2cc(F)ccc2O)C1 in the molecule hydroxyl with a nitro.,CC1CCC[NH+](CC(=O)c2cc(F)ccc2NO)C1
DelComponent,Please remove a amide from the molecule CCC[NH2+]CC(=O)NCc1cccn1C.,CCC[NH2+]Cc1cccn1C
LogP,Modify the molecule O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(N2C(=O)CCC2=O)cc1 to have a lower LogP value.,O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(N2C(=O)CCC2=O)c(O)c1
MR,Please modify the molecule COCOC1C(=O)C2C3(C)C(CC4OC(=O)C(O)C(C1C)C42CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)=CC(=O)C3OC to decrease its MR value.,COCOC1C(=O)C2C3(C)C(CC4OC(=O)CC(C1C)C42CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)=CC(=O)C3OC
QED,Please optimize the molecule COc1ccc(OC)c(C2CCCN2C(=O)CCC(=O)c2ccc(Br)cc2)c1 to have a higher QED value.,COc1ccc(OC)c(C2CCC2CC(=O)c2ccc(Br)cc2)c1
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(CS(=O)(=O)c2ccccc2)o1
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",Cc1c(-c2cc(C(=O)N3CCOc4ccc(CO)cc4C3)[nH]n2)cnn1C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ketone group, and 1 amide group.",CC(=O)C1=CN=C2C(=O)N(c3ccccc3)N(C)C12C
AddComponent,Add a hydroxyl to the molecule C[NH2+]CC1CCCN1C(=O)C(C)Oc1ccccc1.,C[NH2+]CC1CC(O)CN1C(=O)C(C)Oc1ccccc1
SubComponent,Please substitute a nitrile in the molecule N#Cc1cccc(CNC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)c1 with a aldehyde.,CC(=O)c1cccc(CNC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)c1
DelComponent,Please remove a CC(O)(COC1CCC(NC(=O)c2cc(I)cc3cc[nH]c23)CC1)C1CC1 from the molecule amide.,CC(O)(COC1CCC(c23[nH]ccc2cc(I)c-3)CC1)C1CC1
LogP,Please optimize the molecule COc1ccc2nc(NC(=O)COC(=O)c3cc(I)ccc3O)sc2c1 to have a higher LogP value.,COc1ccc2nc(OC(=O)c3cc(I)ccc3O)sc2c1
MR,Please modify the molecule O=c1c(-c2ccccc2Cl)cc2cnc(NC3CCOCC3)nc2n1CCF to decrease its MR value.,O=c1c(Cl)cc2cnc(NC3CCOCC3)nc2n1CCF
QED,Modify the molecule O=C(Nc1cc(Cl)ncn1)C1CNc2ccccc2C1 to have a higher QED value.,O=C(Nc1ccncn1)C1CNc2ccccc2C1
AtomNum,"The molecule consists of 15 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=C1CCC2=C1C(c1ccc([N+](=O)[O-])s1)C1=C(CCNC1=O)N2
BondNum,"Please generate a molecule with 33 single bonds, and 15 rotatable bonds.",CCOCC(CC)C(C(C)CC(C)C(C1CCCCC1)C(CC)COC)C1CCCCC1
FunctionalGroup,There is a molecule composed of and 1 halo group.,Brc1ccc2c(c1)C=C(c1nnc(-c3cccnc3)o1)CO2
AddComponent,Please add a benzene ring to the molecule CCOC(=O)c1cc(C#N)c(C(=O)OCC)c(C(=O)OCC)c1C(=O)OCC.,CCOC(=O)c1cc(C#N)c(C(=O)OCCc2ccccc2)c(C(=O)OCC)c1C(=O)OCC
SubComponent,Substitute a Cc1cc(F)c(C(C)(Nc2ccccc2)C(=O)[O-])cc1F in the molecule halo with a nitro.,Cc1cc(NO)c(C(C)(Nc2ccccc2)C(=O)[O-])cc1F
DelComponent,Modify the molecule amine by removing a CC(C)C1CCNc2ccccc2N1C.,CC(C)C1CCc2ccccc2N1C
LogP,Modify the molecule c1ccc(CC([NH2+]CC2CCCO2)c2ccccc2)cc1 to decrease its LogP value.,CC([NH2+]CC1CCCO1)c1ccccc1
MR,Please optimize the molecule COc1ccccc1CCNC(=O)CC(Cn1cnnn1)c1ccc(Cl)cc1 to have a lower MR value.,COc1ccccc1CCNC(=O)CC(Cl)Cn1cnnn1
QED,Please modify the molecule CSCCC(NC(=O)C(CC(=O)[O-])NC(=O)C(CO)NC(=O)C([NH3+])C(C)O)C(=O)[O-] to increase its QED value.,CSCCC(NC(=O)C(CC(=O)[O-])NC(=O)C(CF)NC(=O)C([NH3+])C(C)O)C(=O)[O-]
AtomNum,"There is a molecule with 19 carbon atoms, 3 oxygen atoms, 7 nitrogen atoms, and 1 sulfur atom.",CC(C)c1ccc(-n2nnnc2SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",[NH3+]C(C(=O)[O-])c1cccc(CC(F)(F)F)c1
FunctionalGroup,"The molecule consists of 1 amide group, and 1 halo group.",CN(C)C(=O)c1cn(C(=O)N(C)C)c2cccc(Br)c12
AddComponent,Please add a aldehyde to the molecule CCCC1CCC(COC2CCC(CCC=CC#N)CC2)CC1.,CCCC1CCC(COC2CCC(CCC=CC#N)CC2)C(CC=O)C1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1cc(O)ccc1NC(=O)NC=Cc1ccccc1 with a halo.,Cc1cc(Cl)ccc1NC(=O)NC=Cc1ccccc1
DelComponent,Please remove a CCOC(=O)C1CCC(O)(C[NH+]2CCN(C)C(C)C2)CC1 from the molecule hydroxyl.,CCOC(=O)C1CCC(C[NH+]2CCN(C)C(C)C2)CC1
LogP,Modify the molecule Cc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)N(C)C)c3)CC2)ccc1NC(=O)c1ccccc1Cl to decrease its LogP value.,Cc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(O)c(C(=O)N(C)C)c3)CC2)ccc1NC(=O)c1ccccc1Cl
MR,Modify the molecule COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1CC(=O)Cc1nccs1 to increase its MR value.,COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1CC(=O)Cc1ncc(-c2ccccc2)s1
QED,Modify the molecule COc1cc(S(C)(=O)=O)ccc1C(N)C#N to decrease its QED value.,COc1cc(S(C)(=O)=O)ccc1CC#N
AtomNum,"The molecule contains 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CC1C[NH+](C)CCN1C(=O)c1sc2cccc(Cl)c2c1N
BondNum,"The molecule has 8 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",O=C(Oc1ccccc1I)c1ccc(OCCO)cc1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 1 hydroxyl group.",COc1ccc(OC)c(COCC(O)C[NH+]2CCN(Cc3ccccc3)CC2)c1
AddComponent,Please add a benzene ring to the molecule C[NH2+]CCCNC(=O)C1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1.,C[NH2+]C(CCNC(=O)C1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1
SubComponent,Substitute a halo in the molecule CC(C)(C)Sc1ncccc1-c1cc(F)c(OCCCC(=O)[O-])c(F)c1 with a thiol.,CC(C)(C)Sc1ncccc1-c1cc(F)c(OCCCC(=O)[O-])c(S)c1
DelComponent,Please remove a benzene ring from the molecule CCCOc1ccc(C(=O)Nc2cccc(C(=O)NC(C)C)c2)cc1.,CCCOC(=O)Nc1cccc(C(=O)NC(C)C)c1
LogP,Please optimize the molecule C=C(C)c1cc(C(C)(C)C)c(O)c2c1CC1CC3CC(=O)C(C(C)=O)=C([O-])C3(O)C(=O)C1=C2[O-] to have a higher LogP value.,C=C(C)c1cc(C(C)(C)C)cc2c1CC1CC3CC(=O)C(C(C)=O)=C([O-])C3(O)C(=O)C1=C2[O-]
MR,Optimize the molecule CN1CC[NH+](CCCNc2ccc(-n3cnn(CC4CC[NH+](CCOc5ccccc5)CC4)c3=O)cc2)CC1 to have a higher MR value.,CN1CC[NH+](CCCNc2ccc(-n3cnn(CC4CC[NH+](CC(N)Oc5ccccc5)CC4)c3=O)cc2)CC1
QED,Please modify the molecule CCCCc1ccc(C(=O)OC(C)C(C)OC(=O)c2ccc(CCCC)cc2)cc1 to increase its QED value.,CCCCC(=O)OC(C)C(C)OC(=O)c1ccc(CCCC)cc1
AtomNum,"The molecule consists of 19 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCS(=O)(=O)N1CC(c2ccc(OC)c(OC)c2)C(c2cc(=O)nc(C)[nH]2)C1
BondNum,"Please generate a molecule consisting 15 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC[NH+]1CCC(Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amide groups, 1 amine group, 2 sulfide groups, and 1 sulfone group.",Cc1csc(Sc2ccc(NS(=O)(=O)c3ccc4c(c3)C(=O)NC4=O)cc2)n1
AddComponent,Please add a benzene ring to the molecule CC(C)C(=O)N(CC(=O)N1CCc2sccc2C1c1ccc(C(C)(C)C)cc1)C1CC1.,CC(C)C(=O)N(CC(=O)N1CCc2sccc2C1(c1ccccc1)c1ccc(C(C)(C)C)cc1)C1CC1
SubComponent,Please substitute a halo in the molecule COc1cc(Cl)c(S(=O)(=O)N2CCC(C(C)[NH3+])CC2)cc1Cl with a nitrile.,COc1cc(C#N)c(S(=O)(=O)N2CCC(C(C)[NH3+])CC2)cc1Cl
DelComponent,Please remove a amine from the molecule COc1ncccc1S(=O)(=O)Nc1ccnc(Cl)c1.,COc1ncccc1S(=O)(=O)c1ccnc(Cl)c1
LogP,Please optimize the molecule O=C([O-])CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S to have a lower LogP value.,O=C([O-])CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCc2ccccc2)SC1=S
MR,Optimize the molecule CNC(=O)c1cc(COc2cc(C(=O)Nc3ccccc3CC(=O)[O-])cc(-c3cc(F)cc(C[NH3+])c3)c2)ccn1 to have a higher MR value.,CC(=O)c1cc(C[NH3+])cc(-c2cc(OCc3ccnc(C(=O)NC)c3)cc(C(=O)Nc3ccccc3CC(=O)[O-])c2)c1
QED,Optimize the molecule COCC(CO)[NH2+]C(C)c1ccc(OCC(C)C)cc1 to have a higher QED value.,CC(=O)CC(COC)[NH2+]C(C)c1ccc(OCC(C)C)cc1
AtomNum,"The molecule consists of 18 carbon atoms, 7 oxygen atoms, and 2 nitrogen atoms.",COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc2c(c1)OCO2
BondNum,"The molecule consists of 15 single bonds, 2 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",Cc1ccccc1C=C1Oc2cc(OCc3cc(Cl)cc4c3OCOC4)ccc2C1=O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 amide groups, 1 halo group, 2 thioether groups, and 1 sulfide group.",O=C1CSCN1CC(=O)N(Cc1cccc(Br)c1)C1CC1
AddComponent,Modify the molecule CC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC([NH+]2CCCC2)CC1 by adding a hydroxyl.,CC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC([NH+]2CCCC2O)CC1
SubComponent,Modify the molecule hydroxyl by substituting a CCCCCN(CC)c1ccc(C2(c3cc(Nc4ccccc4)c(C)cc3OC)OC(=O)c3ccccc32)c(O)c1 with a nitro.,CCCCCN(CC)c1ccc(C2(c3cc(Nc4ccccc4)c(C)cc3OC)OC(=O)c3ccccc32)c(NO)c1
DelComponent,Please remove a Fc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(C[NH+]7CCCCC7)c6)cc45)nc23)s1 from the molecule halo.,c1csc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(C[NH+]7CCCCC7)c6)cc45)nc23)c1
LogP,Please modify the molecule CC(C)c1ccc(F)c(OCC2CCCCC2)c1 to decrease its LogP value.,CC(C)c1cccc(OCC2CCCCC2)c1
MR,Please modify the molecule O=C(CCC(F)(F)F)N1CC=C(c2cccn3nc(Nc4ccc(C(=O)N5CCC[NH2+]CC5)cc4)nc23)CC1 to increase its MR value.,O=C(CCC(O)(F)F)N1CC=C(c2cccn3nc(Nc4ccc(C(=O)N5CCC[NH2+]CC5)cc4)nc23)CC1
QED,Modify the molecule CC(C)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 to decrease its QED value.,CC(C)CN(CC(=O)O)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 3 fluorine atoms.",Cc1ccn2c(C(=O)NN=Cc3ccccc3C(F)(F)F)c(C)nc2c1
BondNum,"The molecule consists of 13 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",O=C(c1ccncc1Cl)N1CCC2(CC[NH2+]C2)C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 sulfone group.",Cc1[nH]c2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3N(C)C)cc2c1C
AddComponent,Modify the molecule CCCCC1CCCc2ccccc2C1[NH2+]C by adding a hydroxyl.,CCCCC1CCCc2ccc(O)cc2C1[NH2+]C
SubComponent,Modify the molecule CCOc1cc(O)ccc1C(=O)C(C)Br by substituting a halo with a carboxyl.,CCOc1cc(O)ccc1C(=O)C(C)C(=O)[OH]
DelComponent,Remove a O=C(c1ccnc(-c2ccc(C3CCCC3)cc2)c1)N1CCCC1 from the molecule benzene ring.,O=C(c1ccnc(C2CCCC2)c1)N1CCCC1
LogP,Optimize the molecule Cc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c(C)c1 to have a higher LogP value.,Cc1ccc(S(=O)(=O)c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c(C)c1
MR,Please modify the molecule CC([NH3+])Cc1ccc(Sc2ccccc2)c(Cl)c1 to increase its MR value.,CC([NH3+])Cc1ccc(Sc2cccc(O)c2)c(Cl)c1
QED,Modify the molecule Cn1c(SCC#CCOc2ccccc2Cl)cc2ccccc21 to increase its QED value.,Cn1c(SCC#CCOc2ccccc2)cc2ccccc21
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",Nc1ccc(C(=O)NCc2ccc(Cl)s2)c(Cl)c1
BondNum,"Please generate a molecule consisting 12 single bonds, 3 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",COc1ccc(CNC(=O)C(=O)NCCc2ccc(C(C)=O)s2)cc1
FunctionalGroup,The molecule has and 1 halo group.,C=CC1OC(=O)N2CC(c3nc(Br)n4ccncc34)CCC12
AddComponent,Modify the molecule Cc1cccc2c(=O)n(CC(=O)NC(C)c3ccccn3)cnc12 by adding a thiol.,Cc1cccc2c(=O)n(CC(=O)NC(C)c3cccc(S)n3)cnc12
SubComponent,Please substitute a halo in the molecule C[NH2+]C1C(C(=O)[O-])C(=O)c2c(ccc(F)c2F)N1OC with a aldehyde.,CC(=O)c1ccc2c(c1F)C(=O)C(C(=O)[O-])C([NH2+]C)N2OC
DelComponent,Please remove a amide from the molecule CS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC2(CC1)C[NH+]=C(NC(=O)c1nc(I)c(N)nc1N)N2.,CS(=O)(=O)c1ccc2c(c1)CC2CC(=O)N1CCC2(CC1)C[NH+]=C(NC(=O)c1nc(I)c(N)nc1N)N2
LogP,Please modify the molecule CC[NH+](CCCO)CC(=O)Nc1ccc(OC)cc1N to increase its LogP value.,CC[NH+](CCCO)c1ccc(OC)cc1N
MR,Modify the molecule COc1ccc(C(NC(=O)C[NH+](C)CC(=O)Nc2ccc(C)cn2)c2ccc(OC)cc2)cc1 to increase its MR value.,COc1ccc(C(NC(=O)C(c2ccccc2)[NH+](C)CC(=O)Nc2ccc(C)cn2)c2ccc(OC)cc2)cc1
QED,Please optimize the molecule O=C1NC(Cc2ccccc2)(C(=O)OCc2ccccc2)CO1 to have a lower QED value.,COC(=O)C1(Cc2ccccc2)COC(=O)N1
AtomNum,"The molecule consists of 23 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",O=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2CCS2(=O)=O)cc1Cl
BondNum,"There is a molecule composed of 12 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCC[NH2+]C1CCC(c2ccc(I)cc2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, 3 amine groups, and 1 sulfide group.",NC1=[NH+]C(c2ccc(O)cc2)NS1
AddComponent,Please add a hydroxyl to the molecule CC1SCCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1C.,CC1SCCN(C(=O)c2c(I)ccc([N+](=O)[O-])c2O)C1C
SubComponent,Please substitute a halo in the molecule O=C([O-])C1Sc2ccc(Cl)c(Cl)c2NC1=O with a carboxyl.,O=C([OH])c1ccc2c(c1Cl)NC(=O)C(C(=O)[O-])S2
DelComponent,Please remove a hydroxyl from the molecule O=C([O-])CC(O)C[NH2+]C1CCC([NH2+]CC(O)CC(=O)[O-])CC1.,O=C([O-])CCC[NH2+]C1CCC([NH2+]CC(O)CC(=O)[O-])CC1
LogP,Modify the molecule CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)Cc1ccccc1Cl to have a higher LogP value.,CS(=O)(=O)N(CCC[NH+]1CCCCCC1)Cc1ccccc1Cl
MR,Please modify the molecule Cc1nnsc1C(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 to increase its MR value.,Cc1nnsc1C(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])(c2ccccc2)CC1
QED,Please modify the molecule CCC[NH2+]CC(C)COC(C)C(F)(F)F to decrease its QED value.,CCC[NH2+]CC(C)COC(C)C(F)F
AtomNum,"The molecule has 17 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCOc1ccc(C(O)C[NH+]2CCC(C)(C)CC2)cc1
BondNum,"The molecule is composed of 14 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1CC(=O)OC(C)C(=O)N1CC(=O)Nc2ccccc21
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 1 sulfone group.",CCCCS(=O)(=O)N1CCC(C(=O)N(Cc2ccccc2OC)CC2CCCO2)CC1
AddComponent,Add a hydroxyl to the molecule O=C([O-])c1ccc2c(c1)N(C(=O)C[NH+]1CCN(c3ccccc3)CC1)CC(=O)N2CCC[NH+]1CCOCC1.,O=C([O-])c1ccc2c(c1)N(C(=O)C[NH+]1CCN(c3ccccc3)C(O)C1)CC(=O)N2CCC[NH+]1CCOCC1
SubComponent,Substitute a hydroxyl in the molecule CCSc1cccc(NC(C)C(C)CO)c1C(=O)[O-] with a carboxyl.,CCSc1cccc(NC(C)C(C)CC(=O)[OH])c1C(=O)[O-]
DelComponent,Remove a halo from the molecule Cc1cc(NC2CCCCCC2)nc(Nc2ccccc2Br)n1.,Cc1cc(NC2CCCCCC2)nc(Nc2ccccc2)n1
LogP,Modify the molecule CC(C)NC(=O)C(=O)N1C(C)(C)CC([NH3+])CC1(C)C to have a higher LogP value.,CC(C)NC(=O)C(=O)N1C(C)(C)CC([NH3+])C(c2ccccc2)C1(C)C
MR,Please modify the molecule CC(c1ccc2ccccc2c1)[NH+](C)CC1CC(c2ccc(CO)cc2)OC(c2ccc(-c3cccc(CNC(=O)CCCCCC(=O)Nc4ccccc4N)c3)cc2)O1 to increase its MR value.,CC(c1ccc2ccccc2c1)[NH+](C)CC1CC(c2ccc(CO)cc2)OC(c2ccc(-c3cccc(CNC(=O)C(N)CCCCC(=O)Nc4ccccc4N)c3)cc2)O1
QED,Modify the molecule O=Cc1ccccc1C1(O)CC[NH2+]CC1 to have a higher QED value.,CC(=O)C1(c2ccccc2C=O)CC[NH2+]CC1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CC(C)(Nc1c(F)cccc1C(=O)[O-])c1nccs1
BondNum,"Please generate a molecule consisting 6 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",O=C([O-])c1cccc(CBr)c1CBr
FunctionalGroup,"There is a molecule composed of 2 sulfide groups, and 1 sulfone group.",Cc1cc2c(s1)SN(C)S2(=O)=O
AddComponent,Add a aldehyde to the molecule CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(Br)ccn1.,CCOc1cc(NC(=O)c2cc(Br)ccn2)c(OCC)c(CC=O)c1N1CCOCC1
SubComponent,Substitute a O=C([O-])C=Cc1cnc(NC(=O)c2ccc(F)cn2)s1 in the molecule halo with a nitro.,ONc1ccc(C(=O)Nc2ncc(C=CC(=O)[O-])s2)nc1
DelComponent,Modify the molecule Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](CC(C)c4ccccc4)CC3)cc2)n1 by removing a amide.,Cc1cc(C)n(-c2ccc(C3CC[NH+](CC(C)c4ccccc4)C3)cc2)n1
LogP,Optimize the molecule CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(Cl)cc1 to have a lower LogP value.,CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(O)cc1
MR,Modify the molecule Nc1nc(C(=NOCc2ncc([O-])c(=O)[nH]2)C(=O)NC2C(=O)N3C(C(=O)[O-])=C(CSc4nc(-c5ccccc5)ncc4-c4ccc(O)c(O)c4)CSC23)cs1 to increase its MR value.,Nc1nc(C(=NOCc2ncc([O-])c(=O)[nH]2)C(=O)NC2C(=O)N3C(C(=O)[O-])=C(CSc4nc(-c5ccccc5)ncc4-c4ccc(NO)c(O)c4)CSC23)cs1
QED,Modify the molecule O=C(NCCSc1[nH]c(-c2ccc(F)cc2)c[nH+]1)c1ccc2c(c1)OCO2 to have a lower QED value.,O=C([OH])c1ccc(-c2c[nH+]c(SCCNC(=O)c3ccc4c(c3)OCO4)[nH]2)cc1
AtomNum,"Please generate a molecule composed of 28 carbon atoms, and 6 oxygen atoms.",C=C(C)C(CC=C(C)CCC=C(C)C)Cc1c([O-])cc(=O)c2c([O-])c3ccc(O)c(O)c3oc1-2
BondNum,"The molecule has 9 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",CCC1CSC(c2ccc(Cl)c3cccnc23)[NH2+]1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amine group, 3 halo groups, and 1 nitrile group.",Cc1ccc(C)c(Nc2ccc(C(F)(F)F)cc2C#N)c1
AddComponent,Modify the molecule CCOC(=O)C1=C(C(=O)OCC)N2C=C[NH+](C)C2OC1c1ccccn1 by adding a hydroxyl.,CCOC(=O)C1=C(C(=O)OCC)N2C(O)=C[NH+](C)C2OC1c1ccccn1
SubComponent,Modify the molecule halo by substituting a CC1CC([NH3+])CCN1S(=O)(=O)c1c(Cl)cnn1C with a carboxyl.,CC1CC([NH3+])CCN1S(=O)(=O)c1c(C(=O)[OH])cnn1C
DelComponent,Please remove a CCN1CCCC([NH3+])C1c1ccc(C)cc1C from the molecule benzene ring.,CCC1C([NH3+])CCCN1CC
LogP,Modify the molecule C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(OC(C)=O)C=CC2(C)OC(C)(C)OC2C(C)CC=CC3C1O to have a higher LogP value.,C=C1C(C)C(CCc2ccccc2)C2(C=CCC(C)C3OC(C)(C)OC3(C)C=CC2OC(C)=O)C1O
MR,Optimize the molecule CCc1ncc(CC=CCOS(N)(=O)=O)s1 to have a higher MR value.,NS(=O)(=O)OCC=CCc1cnc(CCCC=O)s1
QED,Modify the molecule N=c1c2c(=O)ccn(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4-n4cnnc4)cc3)c2ncn1O to increase its QED value.,CC(=O)n1cnc2c(c(=O)ccn2-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3cnnc3)cc2)c1=N
AtomNum,"The molecule contains 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(C)CCC(C)N1C(=O)C(C(C)(C)C)NC(=O)C1C
BondNum,"Please generate a molecule with 15 single bonds, 1 double bond, 7 rotatable bonds, and 23 aromatic bonds.",CCc1nc(-c2ccc(N3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)nc2)no1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ketone group, and 1 halo group.",O=C(CCc1ccccc1)c1ccccc1Cl
AddComponent,Please add a benzene ring to the molecule Cc1c(C)n(C(=O)c2c(Cl)cccc2Cl)c2ccc(N)cc12.,Cc1c(C)n(C(=O)c2c(Cl)cc(-c3ccccc3)cc2Cl)c2ccc(N)cc12
SubComponent,Please substitute a halo in the molecule Fc1cc(Br)cc(-c2n[nH]c(C3CCCCC3)n2)c1 with a nitro.,ONc1cc(Br)cc(-c2n[nH]c(C3CCCCC3)n2)c1
DelComponent,Please remove a amide from the molecule CC([NH3+])CNC(=O)C1CCOC(C)C1.,CC1CC(C(C)[NH3+])CCO1
LogP,Please optimize the molecule CCCn1ccc2cc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)ccc21 to have a higher LogP value.,CCCn1ccc2cc(Oc3cccc(NC(=O)C4CC4)c3)ccc21
MR,Modify the molecule CCCCCCC1OC(=O)CCCC1O to have a higher MR value.,CC(O)CCCCC1OC(=O)CCCC1O
QED,Modify the molecule Cc1cccc(CC(CCl)Cc2cccc(Cl)c2F)c1 to increase its QED value.,CC(=O)CC(Cc1cccc(C)c1)Cc1cccc(Cl)c1F
AtomNum,"The molecule has 24 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)C1c1cccnc1)c1cc2cc(Cl)ccc2o1
BondNum,"Please generate a molecule composed of 15 single bonds, and 5 rotatable bonds.",CCC([NH2+]CC1CCCCN1C)C(C)C
FunctionalGroup,"There is a molecule consisting of 1 thioether group, and 2 sulfide groups.",Cc1csc2[nH+]c(CSc3ncccn3)cn12
AddComponent,Add a hydroxyl to the molecule Cc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)on1.,Cc1cc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)on1
SubComponent,Modify the molecule halo by substituting a NNc1ncc(Br)cc1C(=O)NCCn1ccnc1 with a aldehyde.,CC(=O)c1cnc(NN)c(C(=O)NCCn2ccnc2)c1
DelComponent,Modify the molecule halo by removing a CC(C)CC([NH3+])C(=O)N(CC#N)c1nscc1-c1ccc(Br)cc1.,CC(C)CC([NH3+])C(=O)N(CC#N)c1nscc1-c1ccccc1
LogP,Please modify the molecule CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccccc1Cl to decrease its LogP value.,CC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2cc(OC)ccc2OC)n1CC
MR,Please modify the molecule Cc1cc(Br)c(F)cc1NCCNC(=O)OC(C)(C)C to decrease its MR value.,Cc1cc(O)c(F)cc1NCCNC(=O)OC(C)(C)C
QED,Modify the molecule CC(C)CCCC(C)CC[O+]=C1C=CC(=c2ccc(=C=C=C3C=CC(=[N+]([O-])O)C=C3)cc2)C=C1 to have a higher QED value.,CC(C)CCCC(C)CC[O+]=C1C=CC(=c2ccc(=C=C=C3C=CC(=[N+][O-])C=C3)cc2)C=C1
AtomNum,"There is a molecule composed of 19 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 1 fluorine atom.",CC(=O)Nc1cn2nc(-c3cnc(N)c(-c4ccccc4F)c3)ccc2[nH+]1
BondNum,"There is a molecule with 16 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",Cc1cccc(NC(=O)N2CCC(C3OCCO3)CC2)c1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 2 halo groups, 1 thioether group, and 1 sulfide group.",COc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)n1-c1cccc(C)c1
AddComponent,Modify the molecule CCCC1(C(=O)[O-])CCCN(C(=O)N2CCCC2CO)C1 by adding a benzene ring.,CCCC1(C(=O)[O-])CCCN(C(=O)N2CCCC2CO)C1c1ccccc1
SubComponent,Please substitute a CC(C)Nc1cnn(Cc2cccc(F)c2)c(=O)c1 in the molecule halo with a nitrile.,CC(C)Nc1cnn(Cc2cccc(C#N)c2)c(=O)c1
DelComponent,Modify the molecule halo by removing a [NH3+]C1CCCc2c1ccc(F)c2Cl.,[NH3+]C1CCCc2cc(F)ccc21
LogP,Modify the molecule CC(=O)NCc1csc2c1S(=O)(=O)N=C(C1C(=O)C3C4CCC(C4)C3N(Cc3ccc(F)cc3)C1=O)N2 to have a lower LogP value.,CC(=O)NCc1csc2c1S(=O)(=O)N=C2C1C(=O)C2C3CCC(C3)C2N(Cc2ccc(F)cc2)C1=O
MR,Please optimize the molecule CC[NH+]1CCOC(C(Cc2cccnc2)[NH2+]C)C1 to have a higher MR value.,CC[NH+]1CCOC(C(Cc2cnccc2-c2ccccc2)[NH2+]C)C1
QED,Please modify the molecule C[NH+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)Cc1ccccc1N1CCOCC1 to decrease its QED value.,CC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)C[NH+](C)Cc2ccccc2N2CCOCC2)cc1
AtomNum,"The molecule is composed of 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CCN(Cc1cccs1)C(=O)C1([NH3+])CCCC(C)C1
BondNum,"There is a molecule consisting of 20 single bonds, 2 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",CC[NH+]1CCC2OCCN(S(=O)(=O)c3c(C(F)F)c(C)nn3C)C2C1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 1 nitro group, and 1 halo group.",O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(F)cc2)nc(=O)[nH]1
AddComponent,Add a hydroxyl to the molecule Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(F)cc2)c2c(n1CC(=O)[O-])CCCC2.,Cc1c(C(O)c2ccccc2S(=O)(=O)c2ccc(F)cc2)c2c(n1CC(=O)[O-])CCCC2
SubComponent,Modify the molecule halo by substituting a CN(c1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1)S(=O)(=O)c1ccccc1 with a aldehyde.,CC(=O)C(F)(F)Oc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1
DelComponent,Remove a amide from the molecule COCC(=O)NC1CCN(C(=O)CCC(C)C[NH3+])CC1.,COCC(=O)NC1CCC(CC(C)C[NH3+])C1
LogP,Please modify the molecule Cc1c(NS(=O)(=O)N2CCOCC2)cnn1C1CCCC1 to decrease its LogP value.,Cc1c(NS(=O)(=O)N2CCOCC2O)cnn1C1CCCC1
MR,Please modify the molecule CC(=O)OC[n+]1ccccc1 to increase its MR value.,CC(=O)OC[n+]1ccccc1C(=O)O
QED,Please modify the molecule CC1=C(c2ccc(F)c3sccc23)N2CC[NH+]=C2S1 to decrease its QED value.,CC1=C(c2ccc(S)c3sccc23)N2CC[NH+]=C2S1
AtomNum,"There is a molecule with 23 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCCn1c(COC(=O)c2ccc(-c3nc(C)no3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CC(C)CC(C)[NH2+]C(C)c1ccccc1[N+](=O)[O-]
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 thioether group, and 1 sulfide group.",Cc1ccc(SCCCC[NH3+])c(C)c1
AddComponent,Modify the molecule CCCc1ccc(Nc2ncnc(Cl)c2C(C)C)cc1 by adding a amine.,CCCc1ccc(Nc2nc(N)nc(Cl)c2C(C)C)cc1
SubComponent,Substitute a CC1=C(Br)C(=O)c2[nH]ncc2C1=O in the molecule halo with a hydroxyl.,CC1=C(O)C(=O)c2[nH]ncc2C1=O
DelComponent,Please remove a COc1ccc(C(=O)NC(=Cc2cccs2)C(=O)NCc2ccccc2C)cc1OC from the molecule amide.,COc1ccc(C(=O)NC(Cc2ccccc2C)c2cccs2)cc1OC
LogP,Optimize the molecule O=C(COc1ccccc1F)NCc1cn2cc(Br)ccc2[nH+]1 to have a higher LogP value.,Fc1ccccc1OCc1cn2cc(Br)ccc2[nH+]1
MR,Please modify the molecule O=C1OCC(=C([O-])c2cn(Cc3c(F)cccc3F)c3cc(Cl)ccc23)C1=O to increase its MR value.,O=C1OCC(=C([O-])c2cn(Cc3c(F)cc(-c4ccccc4)cc3F)c3cc(Cl)ccc23)C1=O
QED,Please optimize the molecule Cc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4Cl)CC3)[nH]c2=O)cc1 to have a lower QED value.,CC(=O)c1ccccc1N1CCN(c2cc(=O)n(-c3ccc(C)cc3)c(=O)[nH]2)CC1
AtomNum,"The molecule consists of 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 2 fluorine atoms.",Cc1cccc(C)c1NS(=O)(=O)c1cc(F)ccc1F
BondNum,"The molecule consists of 18 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",O=C(NCC1(OCCO)CCSCC1)C1c2ccccc2Oc2ccccc21
FunctionalGroup,"Please generate a molecule consisting 3 amide groups, 1 halo group, and 1 sulfide group.",CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1ccc(Br)s1
AddComponent,Add a hydroxyl to the molecule Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2nnc(C(C)C)s2)CC1.,Cc1cc(C(=O)Nc2c(F)cc(O)cc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2nnc(C(C)C)s2)CC1
SubComponent,Please substitute a nitrile in the molecule Cc1ccccc1CC1(C#N)CCS(=O)(=O)C1 with a halo.,Cc1ccccc1CC1(Cl)CCS(=O)(=O)C1
DelComponent,Remove a NC(=O)c1ccccc1NC(=O)CCc1csc(NC(=O)c2ccsc2)n1 from the molecule benzene ring.,NC(=O)NC(=O)CCc1csc(NC(=O)c2ccsc2)n1
LogP,Please optimize the molecule CC(C(=O)NCCc1n[nH]c(=S)n1C1CC1)C1CCOCC1 to have a lower LogP value.,CC(C(=O)NCCc1n[nH]c(=S)n1C1CC1C(=O)O)C1CCOCC1
MR,Please modify the molecule CCn1nc(C)c(N)c1C(=O)OCCCC(=O)NC to increase its MR value.,CCn1nc(C)c(N)c1C(=O)OCC(O)CC(=O)NC
QED,Please optimize the molecule CC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2ccc(C)c(C)c2)c1=O to have a higher QED value.,CC(=O)Nc1cc(-c2ccc(C)cc2)nn(-c2ccc(C)c(C)c2)c1=O
AtomNum,"Please generate a molecule with 22 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",COc1ccc(C(=O)COC(=O)C(C)NC(=O)C=Cc2ccccc2)c(OC)c1
BondNum,"The molecule is composed of 14 single bonds, 2 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CC[NH2+]Cc1cc(S(=O)(=O)N2CCC(C)CC2)c(Br)o1
FunctionalGroup,There is a molecule with and 1 amide group.,CC(C(=O)N1CCCC(Cn2ccnn2)C1)[NH+]1CCN(C)CC1
AddComponent,Modify the molecule Cc1ccnc2c1[nH]c(=S)n2CC(C)(C)C[NH+](C)C by adding a amine.,Cc1c(N)cnc2c1[nH]c(=S)n2CC(C)(C)C[NH+](C)C
SubComponent,Substitute a halo in the molecule CNC(=O)c1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)N4CCC(C)CC4)c3)CC2)ccc1Cl with a nitrile.,CNC(=O)c1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(C#N)c(C(=O)N4CCC(C)CC4)c3)CC2)ccc1Cl
DelComponent,Please remove a COCCNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 from the molecule amine.,COCCc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3
LogP,Modify the molecule CCC(C)N(CC(=O)[O-])C(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 to increase its LogP value.,CCC(C)C1C(CC(=O)[O-])CCN1S(=O)(=O)c1ccc(C)cc1
MR,Please optimize the molecule CCc1ccccc1N(CC(=O)NCCOc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 to have a higher MR value.,Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)cc2C)c2ccccc2CCC#N)cc1
QED,Optimize the molecule CC(C)(C)OC(=O)NCCC(Nc1nccc(-c2[nH]nc3nc(NC4CCC(NC(=O)OC(C)(C)C)CC4)ncc23)n1)c1cccc(Cl)c1 to have a higher QED value.,CC(C)(C)OC(=O)NCCC(Cl)Nc1nccc(-c2[nH]nc3nc(NC4CCC(NC(=O)OC(C)(C)C)CC4)ncc23)n1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 3 nitrogen atoms, and 1 bromine atom.",CCc1nn(CC)c(C[NH+](C)CC(C)CC)c1Br
BondNum,"The molecule has 8 single bonds, 5 rotatable bonds, and 15 aromatic bonds.",CCn1nc(CC(NN)c2cn(C)cn2)c2ccccc21
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 halo group.",O=C([O-])c1c(-c2ccccc2F)noc1C[NH+]1CCCC1
AddComponent,Add a benzene ring to the molecule Clc1nc(NCC2CCOC2)nc(N2CCCCC2)n1.,Clc1nc(NCC2CCOC2)nc(N2CCC(c3ccccc3)CC2)n1
SubComponent,Modify the molecule Oc1cccc(-c2nncs2)c1O by substituting a hydroxyl with a halo.,Oc1c(F)cccc1-c1nncs1
DelComponent,Remove a CCCCNC(=O)C1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 from the molecule halo.,CCCCNC(=O)C1CCCN(S(=O)(=O)Cc2ccccc2)C1
LogP,Optimize the molecule O=C(CCOC1CC[NH2+]CC1)NCC(F)(F)CO to have a lower LogP value.,O=C(CCOC1CC[NH2+]CC1)NCC(F)CO
MR,Please optimize the molecule CCOc1cc(CNn2c(CC)n[nH]c2=S)cc(Cl)c1OC to have a higher MR value.,CCOc1cc(CNn2c(CC)n[nH]c2=S)cc(NO)c1OC
QED,Optimize the molecule CCCCOc1ccc(CNC(=O)Oc2cccc(C(F)(F)F)c2)cc1 to have a lower QED value.,CCCCOc1ccc(CNC(=O)Oc2ccc(N)c(C(F)(F)F)c2)cc1
AtomNum,"There is a molecule composed of 17 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",O=C(NC1(CO)CCOCC1)c1ccc2c(c1)CCC=C2
BondNum,"The molecule consists of 6 single bonds, 5 rotatable bonds, and 17 aromatic bonds.",OCc1ccccc1NCc1cccc(-n2cccn2)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 4 halo groups.",CN(CC(=O)[O-])c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1
AddComponent,Add a hydroxyl to the molecule CNC(CC(F)(F)F)c1c(Br)cnn1C(C)C.,CNC(c1c(Br)cnn1C(C)C)C(O)C(F)(F)F
SubComponent,Substitute a [NH3+]CCN(CC(F)(F)F)c1cc[nH+]c2ccccc12 in the molecule halo with a nitro.,[NH3+]CCN(CC(F)(F)NO)c1cc[nH+]c2ccccc12
DelComponent,Modify the molecule amide by removing a CC(=O)NCCC[Si]12OCC[NH+](CCO1)CCO2.,CCC[Si]12OCC[NH+](CCO1)CCO2
LogP,Modify the molecule Nc1ccc(Br)cc1SCc1cc(Cl)c2c(c1)OCCO2 to increase its LogP value.,Nc1ccc(Br)cc1SC(CC=O)c1cc(Cl)c2c(c1)OCCO2
MR,Please optimize the molecule OCc1cccc(SCc2cccc(Cl)c2Cl)c1 to have a lower MR value.,Cc1cccc(SCc2cccc(Cl)c2Cl)c1
QED,Please modify the molecule COC(=O)C(CO)Nc1nc(OC)ns1 to increase its QED value.,COC(=O)C(CO)c1nc(OC)ns1
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 3 oxygen atoms, and 2 iodine atoms.",CC(C)(C)c1cccc(OCC2C(I)CC(I)C2c2ccc(CCC(=O)[O-])cc2)c1
BondNum,"There is a molecule composed of 15 single bonds, 7 rotatable bonds, and 10 aromatic bonds.",CCCCCc1nc2ccc(C)cn2c1NC(C)(C)CC(C)(C)C
FunctionalGroup,"The molecule contains 1 ester group, 1 amide group, 1 amine group, and 2 sulfide groups.",CCOC(=O)Cc1csc(NC(=O)Cc2csc(Nc3cc(C)ccn3)n2)n1
AddComponent,Add a benzene ring to the molecule CC[NH2+]C(CCc1ccc2c(c1)CCO2)C(C)(CC)OC.,CC[NH2+]C(CCc1ccc2c(c1)CCO2)C(C)(OC)C(C)c1ccccc1
SubComponent,Modify the molecule halo by substituting a Nc1nc(N)c(Cc2ccc(Cl)cc2)c(Cc2ccc(Cl)cc2)n1 with a nitro.,Nc1nc(N)c(Cc2ccc(NO)cc2)c(Cc2ccc(Cl)cc2)n1
DelComponent,Remove a COCCOc1nc(C(F)(F)F)ccc1C(N)=[NH2+] from the molecule amine.,COCCOc1nc(C(F)(F)F)ccc1CN
LogP,Optimize the molecule Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CC1 to have a lower LogP value.,Cc1ccc(C(=O)Nc2ccc(C(=O)[OH])c(F)c2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CC1
MR,Please optimize the molecule CCCN(CCCOCc1ccccc1)C(=O)Cc1cccc(C(=O)[O-])c1 to have a lower MR value.,CCCN(CCCOC)C(=O)Cc1cccc(C(=O)[O-])c1
QED,Modify the molecule CCOc1cc(C2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc(Br)c1O to increase its QED value.,CCOc1cc(C2NC(=O)C(O)=C2c2ccc(Cl)cc2)cc(Br)c1O
AtomNum,"The molecule contains 17 carbon atoms, 5 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CC(=NNc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1)c1ccccc1
BondNum,"The molecule consists of 9 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CS(=O)CCCNC(=O)c1ccc(N)cc1N
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,Cc1cc(C)cc(-n2ncc(=O)[nH]c2=O)c1
AddComponent,Add a hydroxyl to the molecule c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6ccc7c8cccc9cccc(c%10cccc6c%107)c98)cc2c5c34)cc1.,Oc1cc2c(-c3cc4c5c(ccc6cccc(c65)C4(c4ccccc4)c4ccccc4)c3)ccc3c4cccc5cccc(c(c1)c23)c54
SubComponent,Substitute a CC1SCCN1S(=O)(=O)c1c(F)cccc1F in the molecule halo with a carboxyl.,CC1SCCN1S(=O)(=O)c1c(F)cccc1C(=O)[OH]
DelComponent,Modify the molecule O=C(CCn1cnc2ccccc2c1=O)NCCN1CC[NH+](Cc2ccccc2)CC1 by removing a benzene ring.,C[NH+]1CCN(CCNC(=O)CCn2cnc3ccccc3c2=O)CC1
LogP,Optimize the molecule Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2C#N)n1 to have a higher LogP value.,Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3ccccc3)c(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2C#N)n1
MR,Please optimize the molecule CCCc1n[nH]c(=S)n1CC(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1 to have a higher MR value.,CCCc1n[nH]c(=S)n1CC(=O)NC(CO)c1ccc(NC(=O)C2CC2)cc1
QED,Optimize the molecule CC(=O)c1ccccc1OCCOc1ccc2c(c1)CCC2 to have a lower QED value.,CC(=O)OCCOc1ccc2c(c1)CCC2
AtomNum,"The molecule contains 17 carbon atoms, 2 oxygen atoms, and 1 bromine atom.",COCCc1ccc(C(Br)c2cccc(OC)c2)cc1
BondNum,"The molecule has 19 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCc1ccc(N2CCSCC2)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amine group, and 1 nitrile group.",CC(C)CC(Nc1ccccc1C#N)c1ccccc1
AddComponent,Add a hydroxyl to the molecule CCc1ccc(C(C(=O)NC(Cc2ccccc2)C(=O)OC(C)(C)C)N(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(C)CC)cc1.,CCc1ccc(C(C(=O)NC(Cc2ccccc2)C(=O)OC(C)(C)C)N(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(C)C(C)O)cc1
SubComponent,Substitute a CSc1sc(C(N)=[NH2+])cc1S(=O)(=O)c1cc(Br)c2ncn(Cc3cc(NC(=O)CSCCC(=O)[O-])ccc3F)c2c1 in the molecule halo with a carboxyl.,CSc1sc(C(N)=[NH2+])cc1S(=O)(=O)c1cc(C(=O)[OH])c2ncn(Cc3cc(NC(=O)CSCCC(=O)[O-])ccc3F)c2c1
DelComponent,Please remove a amide from the molecule CCC(C)(C)NC(=O)COc1cccc2c1CCCC2.,CCC(C)(C)Oc1cccc2c1CCCC2
LogP,Optimize the molecule CCC1C=Nc2cc(OCCCC(=O)Nc3cc(C(=O)Nc4ccc(-c5cc(C(=O)OCC[NH2+]C)n(C)c5)cc4)n(C)c3)c(OC)cc2C(=O)N1CC to have a higher LogP value.,CCC1C=Nc2cc(OCCCC(=O)Nc3cc(C(=O)Nc4ccc(-c5cc(C(=O)OCC[NH2+]C)n(C)c5)cc4)n(C)c3-c3ccccc3)c(OC)cc2C(=O)N1CC
MR,Modify the molecule CCNC(=NCC(C)[NH+]1CCOCC1C)NCC1C[NH+](CC(C)C)CCO1 to decrease its MR value.,CCNC(CC1C[NH+](CC(C)C)CCO1)=NCC(C)[NH+]1CCOCC1C
QED,Modify the molecule C=S(=O)([N-]C(=O)OCC)c1ccc(N)cc1 to increase its QED value.,C=S(=O)([N-]C(=O)OCC)c1ccccc1
AtomNum,"The molecule has 35 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 3 fluorine atoms.",CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1-c1ccc(C(F)(F)F)nc1)C(=O)[O-]
BondNum,"The molecule has 9 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",Cc1cc(C(=O)NC(C)c2onc(-c3cccnc3)c2C(=O)[O-])no1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 3 halo groups.",COc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1OC(F)F
AddComponent,Add a hydroxyl to the molecule C=CCC1CCC(C)N(C(=O)OC(C)(C)C)C1CC=C.,C=CCC1CCC(C)N(C(=O)OC(C)(C)CO)C1CC=C
SubComponent,Please substitute a COc1ccc([N+](=O)[O-])cc1OCC(=O)NCc1ccc(Cl)cc1 in the molecule halo with a nitro.,COc1ccc([N+](=O)[O-])cc1OCC(=O)NCc1ccc(NO)cc1
DelComponent,Remove a amide from the molecule CN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)C1CCS(=O)(=O)C1.,CN(C(=O)C1CCCCCCC1)C1CCS(=O)(=O)C1
LogP,Modify the molecule CCOc1ccc(-c2nc(CNS(=O)(=O)CC)c(C)o2)cc1 to decrease its LogP value.,CCOc1nc(CNS(=O)(=O)CC)c(C)o1
MR,Please modify the molecule CC(O)C1CC[NH+](Cc2sccc2C#CCCO)CC1 to increase its MR value.,CC(=O)C(C)C1CC[NH+](Cc2sccc2C#CCCO)CC1
QED,Please optimize the molecule CC(C)COCCNC(=O)NC1C=CC(C(=O)[O-])C1 to have a lower QED value.,CC(CN)COCCNC(=O)NC1C=CC(C(=O)[O-])C1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CC(=O)NCc1ccc(C2=NNC(=[NH+]C3CC3)SC2)cc1
BondNum,"The molecule consists of 14 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=C(NCCCC(=O)N1CC(C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1
FunctionalGroup,"There is a molecule composed of 2 amide groups, 1 amine group, and 2 sulfone groups.",Cn1cc(NC(=O)c2cc3cc(N)ccc3n2C)cc1C(=O)Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1
AddComponent,Please add a benzene ring to the molecule CC(C)(C)OC(=O)N1CC[NH2+]C(c2cccc(F)c2)C1.,CC(C)(C)OC(=O)N1CC(c2ccccc2)[NH2+]C(c2cccc(F)c2)C1
SubComponent,Substitute a halo in the molecule COc1ccc(Nc2nc(-c3ccccc3)cc(N3CCSC(=O)C3=O)n2)cc1F with a aldehyde.,CC(=O)c1cc(Nc2nc(-c3ccccc3)cc(N3CCSC(=O)C3=O)n2)ccc1OC
DelComponent,Modify the molecule amide by removing a CC(C)(C)C(=O)N1CCN(C(=O)c2cnccn2)CC1.,CCCC1CCN(C(=O)c2cnccn2)C1
LogP,Please optimize the molecule CCCCCCCCCCCCS(=O)(=O)c1ccc([O-])c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 to have a lower LogP value.,CCCCCCCCCCCCS(=O)(=O)c1c-c([O-])(-c2ccc(C(F)(F)F)cc2)cc1
MR,Modify the molecule Fc1ccc(C#CC(=C(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1 to have a higher MR value.,Fc1ccc(C#CC(=C(c2ccccc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1
QED,Please optimize the molecule CC[NH2+]Cc1ccnc(-c2cc(F)ccc2Br)n1 to have a lower QED value.,OCC[NH2+]Cc1ccnc(-c2cc(F)ccc2Br)n1
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COC1(C(=O)NCCc2nc(C(C)(C)C)cs2)CC[NH2+]CC1
BondNum,"There is a molecule composed of 10 single bonds, 2 double bonds, 2 rotatable bonds, and 11 aromatic bonds.",O=C(Cn1cnc2ccccc2c1=O)N1CC2(CC2)C1
FunctionalGroup,The molecule has and 1 amide group.,CCC1COCCN1C(=O)C1CCCC1[NH3+]
AddComponent,Modify the molecule COCSc1nnnn1CC[NH2+]C1CC1 by adding a hydroxyl.,COC(O)Sc1nnnn1CC[NH2+]C1CC1
SubComponent,Substitute a CN(Cc1nccn1C(F)F)S(=O)(=O)CCC1CC1 in the molecule halo with a carboxyl.,CN(Cc1nccn1C(F)C(=O)[OH])S(=O)(=O)CCC1CC1
DelComponent,Please remove a hydroxyl from the molecule CC([NH2+]CC(O)CP(=O)([O-])Cc1ccccc1)c1ccc(CC(=O)[O-])cc1.,CC([NH2+]CCCP(=O)([O-])Cc1ccccc1)c1ccc(CC(=O)[O-])cc1
LogP,Please optimize the molecule COc1cc(OC)c(Nc2nc(=O)c(-c3cccs3)n[nH]2)cc1Br to have a higher LogP value.,COc1c(Br)cc(Nc2nc(=O)c(-c3cccs3)n[nH]2)c(OC)c1-c1ccccc1
MR,Optimize the molecule CCOc1ccc(Br)cc1S(=O)(=O)NCc1cccnc1 to have a lower MR value.,CCOc1ccccc1S(=O)(=O)NCc1cccnc1
QED,Please optimize the molecule C=CCC(CC)CC[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 to have a lower QED value.,C=CCC(CC)CC[NH2+]Cc1ccc(OCc2cccc(C(=O)[OH])c2)cc1
AtomNum,"Please generate a molecule with 30 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 4 fluorine atoms, and 1 chlorine atom.",COc1ccc(COc2ccc(C(=O)NCN(c3ccc(OC)c(-c4ccc(F)c(Cl)c4)n3)C(F)(F)F)cc2OC)cc1
BondNum,"The molecule contains 7 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 17 aromatic bonds.",N#Cc1ccccc1C(=O)NCC(O)c1ccc2ccccc2c1
FunctionalGroup,Please generate a molecule with and 1 ketone group.,CC(=O)c1ccc2n(c1=O)CC1CC2N(C(=O)OC(C)(C)C)C1
AddComponent,Add a nitrile to the molecule CCCCCC1CN(Cc2cc(C)cc(C(=O)OC)c2)C(=O)c2cc(-c3ccc(Cl)cc3)nn21.,CCCCCC1CN(C(C#N)c2cc(C)cc(C(=O)OC)c2)C(=O)c2cc(-c3ccc(Cl)cc3)nn21
SubComponent,Please substitute a halo in the molecule COc1ccc(F)cc1NCC(C)(C)C#N with a carboxyl.,COc1ccc(C(=O)[OH])cc1NCC(C)(C)C#N
DelComponent,Please remove a amide from the molecule CCCCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(OC)cc2)cc1.,CCCCc1ccc(Sc2nnc(-c3cccc(C)c3)n2-c2ccc(OC)cc2)cc1
LogP,Modify the molecule CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1ncnc2ccccc12 to decrease its LogP value.,CN(CC(=O)Nc1ccccc1NO)C(=O)CSc1ncnc2ccccc12
MR,Modify the molecule COc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1N to increase its MR value.,COc1ccc(-c2nc(-c3ccc(Br)cc3O)no2)cc1N
QED,Modify the molecule C[NH+](C)CCNc1ccc(NC(=O)c2ccc(F)c(F)c2)cn1 to decrease its QED value.,C[NH+](C)CCNc1ccc(NC(=O)c2ccc(F)c(F)c2-c2ccccc2)cn1
AtomNum,"The molecule contains 15 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCCOCCCNC(=O)c1ccc(S(=O)(=O)NC)cc1
BondNum,"The molecule consists of 20 single bonds, 3 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",COCC(C(=O)OC)N1Cc2ccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc2C1=O
FunctionalGroup,"The molecule has 1 amide group, 1 amine group, and 1 halo group.",Cc1ccc2oc3c(Br)c2c1C1(N=NNN1C1CCCC1C(=O)NC(C(=O)[O-])C(C)C)c1ccccc1-3
AddComponent,Please add a benzene ring to the molecule CCC[NH+](CCN(C)C)Cc1cc(C(C)[NH3+])ccc1OC.,CCC[NH+](Cc1cc(C(C)[NH3+])ccc1OC)C(CN(C)C)c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CCCCCCCCCCCCCCC(=O)OCC(COCC(CO)OP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCC with a carboxyl.,CCCCCCCCCCCCCCC(=O)OCC(COCC(CC(=O)[OH])OP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCC
DelComponent,Please remove a NC(=O)C1COCCN1C(=O)CC1CCCCC1[NH3+] from the molecule amide.,[NH3+]C1CCCCC1CC(=O)N1CCOC1
LogP,Modify the molecule Oc1c(OC(F)(F)F)ncc(C(F)F)c1CBr to have a lower LogP value.,Cc1c(C(F)F)cnc(OC(F)(F)F)c1O
MR,Optimize the molecule CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)NCc3ccco3)c2)cc1 to have a lower MR value.,CCOc1ccc(C(=O)NC(=S)NC(=O)NCc2ccco2)cc1
QED,Please optimize the molecule O=C([O-])c1cn(Cc2ccc(Br)o2)nn1 to have a lower QED value.,O=C([O-])c1cn(Cc2ccc(S)o2)nn1
AtomNum,"The molecule consists of 9 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 sulfur atoms.",CC(C)(C)SCc1csc(C(=O)NN)n1
BondNum,"There is a molecule with 14 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]C(C)c1ccc(NC(=O)NC2CCOC2)cc1
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,C[NH+](CCc1ccc2c(c1)CC(=O)N2)CC(=O)[O-]
AddComponent,Modify the molecule CCC(C)CCC(C)Nc1ccc(Nc2ccccc2)cc1 by adding a benzene ring.,CCC(C)CC(c1ccccc1)C(C)Nc1ccc(Nc2ccccc2)cc1
SubComponent,Please substitute a hydroxyl in the molecule O=P([O-])([O-])OC(O)c1ccccc1 with a halo.,O=P([O-])([O-])OC(I)c1ccccc1
DelComponent,Modify the molecule hydroxyl by removing a COCC(O)C[NH2+]CC(O)COc1cc(Cl)ccc1Cl.,COCCC[NH2+]CC(O)COc1cc(Cl)ccc1Cl
LogP,Please modify the molecule CC[NH2+]C(Cc1cccc(Cl)c1Cl)c1c(C)nn(C)c1C to decrease its LogP value.,CC(=O)c1cccc(CC([NH2+]CC)c2c(C)nn(C)c2C)c1Cl
MR,Modify the molecule CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCc1ccc2ccccc2c1 to have a higher MR value.,CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)c(Cl)c(-c3ccccc3)c2)c(Br)cc1OCc1ccc2ccccc2c1
QED,Please optimize the molecule Cc1noc(C)c1NC(=O)Nc1cccc2c1OC(CN(C)C(=O)NC1CCCCC1)C(C)CN(C(C)CO)C2=O to have a higher QED value.,Cc1noc(C)c1NC(=O)Nc1cccc2c1OC(CN(C)C(=O)NC1CCCCC1)C(C)CN(C(C)CC#N)C2=O
AtomNum,"There is a molecule consisting of 23 carbon atoms, and 6 oxygen atoms.",OCc1cc(CO)c(O)c(Cc2cc(Cc3cccc(CO)c3O)ccc2O)c1
BondNum,"There is a molecule composed of 13 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",COC(=O)c1cccc(C[NH+]2CCN(S(C)(=O)=O)CC2)c1
FunctionalGroup,"There is a molecule consisting of 2 thioether groups, and 1 sulfide group.",CC[N+](C)(C)CCSCC[N+](CC)(CC)CC
AddComponent,Add a carboxyl to the molecule CCCCCCCCCCCCOc1cc(CO)cc(OCCOCCOCCOCCN(C)c2ccc(N=Nc3ccc(CCCC)cc3)cc2)c1.,CCCCCCCCCCCCOc1cc(CO)cc(OCCOCCOCCOCCN(C)c2ccc(N=Nc3ccc(CC(CC)C(=O)O)cc3)cc2)c1
SubComponent,Please substitute a halo in the molecule C=C(C=CC1=C(C)OC(C2=CCCC=C2)[NH+]2C1=C(F)C1=CC(c3c[nH+]c(C4CC(F)CN4C(=O)C(NC(=O)OC)C(C)C)[nH]3)=CCC12)c1c[nH+]c(C2CC(F)CN2C(=O)C(NC(=O)OC)C(C)C)[nH]1 with a nitro.,C=C(C=CC1=C(C)OC(C2=CCCC=C2)[NH+]2C1=C(NO)C1=CC(c3c[nH+]c(C4CC(F)CN4C(=O)C(NC(=O)OC)C(C)C)[nH]3)=CCC12)c1c[nH+]c(C2CC(F)CN2C(=O)C(NC(=O)OC)C(C)C)[nH]1
DelComponent,Modify the molecule benzene ring by removing a CC(=O)c1cccc(N(CCC(=O)Nc2ccccc2C)C(C)=O)c1.,CC(=O)N(CCC(=O)Nc1ccccc1C)C(C)=O
LogP,Please optimize the molecule CC1(C)CCC(NC(=O)CCCOc2ccc(Br)cc2Cl)C1 to have a higher LogP value.,CC1(C)CCC(NC(=O)CCC(Oc2ccc(Br)cc2Cl)c2ccccc2)C1
MR,Modify the molecule Oc1c(C=NNc2nc3ccccc3s2)cc2c3c1CCCN3CCC2 to have a lower MR value.,C(=NNc1nc2ccccc2s1)c1cc2c3c(c1)CCCN3CCC2
QED,Modify the molecule O=C(Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1Br)c1ccc(COc2ccc(Cl)cc2)cc1 to increase its QED value.,O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Br)c1ccc(COc2ccc(Cl)cc2)cc1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 2 sulfur atoms, and 1 fluorine atom.",COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(F)cc4C)n3n2)cc1
BondNum,"The molecule has 11 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",[NH3+]C1(CCOc2ccc3ccccc3c2)CCCCC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 1 halo group.",CC(C)(C)CC(CO)NC(=O)CCc1ccccc1F
AddComponent,Add a hydroxyl to the molecule CC1CC2CC(C1)CC([NH+]1C3CCCC1CC(n1c(=O)c(CCP(=O)([O-])[O-])nc4ccccc41)C3)C2.,CC1CC2CC(C1)CC([NH+]1C3CCCC1CC(n1c(=O)c(CCP(=O)([O-])[O-])nc4c(O)cccc41)C3)C2
SubComponent,Substitute a CC(C)(C)C1CCC(C(=O)c2scc(Br)c2Br)CC1 in the molecule halo with a aldehyde.,CC(=O)c1csc(C(=O)C2CCC(C(C)(C)C)CC2)c1Br
DelComponent,Please remove a hydroxyl from the molecule CCS(=O)(=O)CC1CCC(O)(Nc2nc(NCC3CC3)nc(C)c2-c2nc3c(C4CC4)nccc3s2)C1O.,CCS(=O)(=O)CC1CCC(O)(Nc2nc(NCC3CC3)nc(C)c2-c2nc3c(C4CC4)nccc3s2)C1
LogP,Optimize the molecule CC(Nc1c[nH+]ccc1N)C(C)(F)F to have a lower LogP value.,CC(Nc1c[nH+]ccc1N)C(C)(O)F
MR,Modify the molecule CCCOc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C[NH+]4CCN(C)CC4)cc3)C2=O)cc1 to decrease its MR value.,CCCOc1ccc(N2C(=O)C(Cl)=C(c3ccc(C[NH+]4CCN(C)CC4)cc3)C2=O)cc1
QED,Please modify the molecule CCC(O)CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 to decrease its QED value.,CCC(O)CC[NH2+]Cc1cn(C)nc1-c1ccccc1
AtomNum,"Please generate a molecule consisting 8 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=[N+]([O-])c1cnc(NC2CC2)c(Cl)c1
BondNum,"Please generate a molecule composed of 14 single bonds, 12 rotatable bonds, and 25 aromatic bonds.",COCCOc1ccc(NCC[NH2+]CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1
FunctionalGroup,"Please generate a molecule composed of 1 thioether group, and 1 sulfide group.",CC(C)Sc1nnc(-c2cccnc2)n1C
AddComponent,Modify the molecule Cc1nccn1Cc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1 by adding a carboxyl.,Cc1nccn1Cc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3cc(C(=O)O)ccc23)cc1
SubComponent,Substitute a halo in the molecule Cc1ccc(C)c(C(C)NS(=O)(=O)c2ccc(Cl)nc2)c1 with a carboxyl.,Cc1ccc(C)c(C(C)NS(=O)(=O)c2ccc(C(=O)[OH])nc2)c1
DelComponent,Remove a benzene ring from the molecule O=C(C(c1ccccc1)C1(Oc2ccc(Cc3ccccc3)cc2)C=CC=CC1)C(c1ccccc1)C1(Oc2ccc(Cc3ccccc3)cc2)C=CC=CC1.,O=C(CC1(Oc2ccc(Cc3ccccc3)cc2)C=CC=CC1)C(c1ccccc1)C1(Oc2ccc(Cc3ccccc3)cc2)C=CC=CC1
LogP,Optimize the molecule CCOc1ccc(NC(=O)CCCc2ccccc2)cc1F to have a higher LogP value.,CCOc1ccc(NC(=O)CCCc2cccc(-c3ccccc3)c2)cc1F
MR,Optimize the molecule CCCn1ccc(CNc2cc(Br)ccc2N(C)C)c1 to have a lower MR value.,CCCn1ccc(CNc2cc(C#N)ccc2N(C)C)c1
QED,Optimize the molecule CCC1C[NH+](Cc2ccc(I)cc2)CCC1O to have a lower QED value.,CCC1C[NH+](Cc2ccc(I)cc2-c2ccccc2)CCC1O
AtomNum,"Please generate a molecule composed of 23 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)[NH+](CC(C)S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2)C(C)(C)C
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cc1cc(S(=O)(=O)N(Cc2ccsc2)CC(F)(F)F)c(Cl)cc1Cl
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 hydroxyl groups, and 2 halo groups.",CCCC(OCC1CCC2C(CC(O)C2C=CC(O)COc2cccc(F)c2F)OC1)C(=O)[O-]
AddComponent,Please add a benzene ring to the molecule OC(CNC1=[NH+]CCCN1)c1ccc(Cl)cc1.,OC(CNC1=[NH+]CCC(c2ccccc2)N1)c1ccc(Cl)cc1
SubComponent,Substitute a COC(=O)c1ccc(C)c(NC(=O)CC#N)c1 in the molecule nitrile with a hydroxyl.,COC(=O)c1ccc(C)c(NC(=O)CO)c1
DelComponent,Modify the molecule benzene ring by removing a c1ccc(-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5c4oc4ccc6ccccc6c45)c3)c3ccccc23)cc1.,c1cc(-c2c3ccccc3cc3ccccc23)cc(-c2cc3ccccc3c3c2oc2ccc4ccccc4c23)c1
LogP,Please modify the molecule Cc1ncn(Cc2ccc(F)cc2)c1CC(=O)[O-] to increase its LogP value.,CC(=O)c1ccc(Cn2cnc(C)c2CC(=O)[O-])cc1
MR,Please modify the molecule ClC=CCOCn1c(Br)nc(Cl)c1Cl to decrease its MR value.,C=CCOCn1c(Br)nc(Cl)c1Cl
QED,Please optimize the molecule Cc1cc(C2NC(=O)N(C3CC4CCC(C3)[NH+]4C)C2=O)ccc1F to have a lower QED value.,Cc1cc(C2(C(=O)O)NC(=O)N(C3CC4CCC(C3)[NH+]4C)C2=O)ccc1F
AtomNum,"The molecule has 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 3 fluorine atoms.",[NH3+]CC(Oc1cccc(F)c1F)c1ccc(F)cc1
BondNum,"There is a molecule with 17 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",Cn1cc(F)cc(C2CCCN2c2ccn3ncc(OC(=O)NCC4CC4)c3n2)c1=O
FunctionalGroup,There is a molecule consisting of and 2 ester groups.,CCCCC(CCC)OC(=O)CCCCCC(=O)OC(C)CC(C)C
AddComponent,Add a amine to the molecule CN1C2C(OCI)C3CC(C2S3)S1(=O)=O.,NCN1C2C(OCI)C3CC(C2S3)S1(=O)=O
SubComponent,Substitute a N#Cc1cc[n+](Cc2ccccc2Bc2ccccc2)cc1 in the molecule nitrile with a thiol.,Sc1cc[n+](Cc2ccccc2Bc2ccccc2)cc1
DelComponent,Modify the molecule halo by removing a COC1CN(S(=O)(=O)c2cnc(NN)c(Cl)c2)CC1OC.,COC1CN(S(=O)(=O)c2ccc(NN)nc2)CC1OC
LogP,Optimize the molecule Cn1cc(C[NH+]2CC(C(=O)Nc3nccs3)CC2c2cccc(C(F)(F)F)c2)cn1 to have a lower LogP value.,Cn1cc(C[NH+]2CC(C(=O)Nc3nccs3)CC2c2ccc(CC=O)c(C(F)(F)F)c2)cn1
MR,Modify the molecule O=C([O-])C1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1Cl to increase its MR value.,O=C([O-])C1(c2ccccc2)C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1Cl
QED,Optimize the molecule O=C(CCCCCCc1ccnc2ccccc12)NO to have a higher QED value.,OCCCCCc1ccnc2ccccc12
AtomNum,"There is a molecule with 24 carbon atoms, and 6 oxygen atoms.",CCCCOCC(COC(C(C)OCCCC)C(CO)OCCCC)OCCCC
BondNum,"The molecule is composed of 9 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",FC(F)(F)c1ccc(C[NH2+]Cc2cccc(Br)c2)cc1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 amine group.",COc1ccc(Nc2cc(C)ccc2C)c(C)c1
AddComponent,Please add a benzene ring to the molecule CCCOc1cccc(NC2CC[NH+]3CCCCC23)c1N.,CCCOc1ccc(-c2ccccc2)c(NC2CC[NH+]3CCCCC23)c1N
SubComponent,Substitute a CC(C)(C)C(C)(C)Cc1c(-c2ccc(F)cc2Cl)nc2ncccn12 in the molecule halo with a thiol.,CC(C)(C)C(C)(C)Cc1c(-c2ccc(S)cc2Cl)nc2ncccn12
DelComponent,Please remove a halo from the molecule CSc1c(I)ccc2scc(Cl)c12.,CSc1cccc2scc(Cl)c12
LogP,Modify the molecule O=C(NCCc1ccc(F)cc1)N(Cc1cccs1)CC1CCCO1 to decrease its LogP value.,O=C(NCCF)N(Cc1cccs1)CC1CCCO1
MR,Optimize the molecule O=C(CCc1ccc(F)cc1)Nc1ccccc1SCC(F)(F)F to have a higher MR value.,O=C(CCc1ccc(C(=O)[OH])cc1)Nc1ccccc1SCC(F)(F)F
QED,Please optimize the molecule COc1ccc(C)cc1N(C(C)C(=O)Nc1cccc(Cl)c1)S(C)(=O)=O to have a lower QED value.,CC(=O)c1cccc(NC(=O)C(C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1
AtomNum,"The molecule contains 12 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C([NH3+])C1CCOCC1)N1CC[NH2+]CC1
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CC(C)CN(CC(C)C)C(=O)NCc1ccc(Br)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",CC(C)C(=O)NCCNS(=O)(=O)c1ccc(CCCl)cc1
AddComponent,Please add a hydroxyl to the molecule [NH3+]CC(c1ccco1)c1cccs1.,[NH3+]CC(c1ccco1)c1ccc(O)s1
SubComponent,Modify the molecule COCC(C)(NC(=O)c1cc(C)cc(F)c1)C(=O)[O-] by substituting a halo with a nitro.,COCC(C)(NC(=O)c1cc(C)cc(NO)c1)C(=O)[O-]
DelComponent,Modify the molecule halo by removing a CCOC(=O)C(O)=Cc1cc(OC)nnc1Cl.,CCOC(=O)C(O)=Cc1cnnc(OC)c1
LogP,Modify the molecule CN(CCc1ccccn1)C(=O)CCCO to increase its LogP value.,CN(CCc1ccccn1)C(=O)CCCCl
MR,Modify the molecule NC1=[NH+]C2(c3c(F)cc(F)cc3F)COC(C3CC3)CC2CS1 to have a higher MR value.,NC1=[NH+]C2(c3c(F)cc(F)c(-c4ccccc4)c3F)COC(C3CC3)CC2CS1
QED,Please optimize the molecule C#CCN(CC1CC1)S(=O)(=O)C(C)C#N to have a higher QED value.,C#CCN(CC1CC1)S(=O)(=O)C(C)C(=O)[OH]
AtomNum,"There is a molecule composed of 20 carbon atoms, and 3 oxygen atoms.",CCC(O)CC=COC(C1CCCCC1)C(O)C1CCCCC1
BondNum,"The molecule is composed of 24 single bonds, 5 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CCC1OC(Oc2ccc(-c3cccc(C(=O)NC)c3)cc2C)C(CN=[N+]=[N-])(OC(C)=O)C(OC(C)=O)C1C
FunctionalGroup,"Please generate a molecule consisting 4 hydroxyl groups, 2 ester groups, 2 amide groups, 2 thioether groups, and 1 sulfide group.",CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)Nc1cn(C2OC(CO)C(O)C(O)C2O)nn1
AddComponent,Add a amine to the molecule Cc1cccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(Br)cc2)c1C.,Cc1cccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(Br)c(N)c2)c1C
SubComponent,Modify the molecule nitrile by substituting a C=CCN(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2cccc(C)c2)n1CC with a aldehyde.,CC(=O)c1ccc(CN(CC=C)C(=O)CSc2nnc(-c3cccc(C)c3)n2CC)cc1
DelComponent,Modify the molecule benzene ring by removing a CCCC([NH2+]CCCN(C)c1ccccc1)C(=O)OCC.,CCCC([NH2+]CCCNC)C(=O)OCC
LogP,Modify the molecule CCCCCCCCc1cnc(-c2ccc(OCC(F)CC(C)CCCC)cc2)nc1 to have a higher LogP value.,CCCCCCCCc1cnc(-c2ccc(OCCCC(C)CCCC)cc2)nc1
MR,Modify the molecule O=C(Cn1nc(-c2ccco2)oc1=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 to have a higher MR value.,O=C(Cn1nc(-c2ccco2)oc1=O)Nc1cc(-c2cccc(O)c2)nn1-c1ccccc1
QED,Modify the molecule Cc1cc(C)cc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 to decrease its QED value.,Cc1cc(C)cc(NC(=O)C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[OH])c1
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 2 nitrogen atoms, and 2 bromine atoms.",CCCCC(CC)Cn1c[n+](C)c(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
BondNum,"Please generate a molecule composed of 9 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",Cn1ccnc1SCc1ccc(OC(F)(F)F)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 2 halo groups, and 1 sulfide group.",COc1cc(I)c(C(=O)NC(C)c2ccc(Cl)s2)cc1OC
AddComponent,Add a carboxyl to the molecule COCCNC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1.,COCCNC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C(=O)O)c1
SubComponent,Substitute a COc1c(N)ccc(C)c1I in the molecule halo with a nitrile.,COc1c(N)ccc(C)c1C#N
DelComponent,Remove a CC=P(OCC)(OCC)C(O)C(O)C1OC(n2cc(C)c(=O)[nH]c2=O)C(OCCOC)C1OC(=O)c1ccccc1 from the molecule hydroxyl.,CC=P(CC(O)C1OC(n2cc(C)c(=O)[nH]c2=O)C(OCCOC)C1OC(=O)c1ccccc1)(OCC)OCC
LogP,Optimize the molecule Cc1ccc(S(=O)(=O)NCC2CCC(NS(=O)(=O)c3ccc(C)cc3)C(OC3C(O)C(OC4OC(CO)C(O)C(N=[N+]=[N-])C4OCc4ccccc4)C(NS(=O)(=O)c4ccc(C)cc4)C(O)C3NS(=O)(=O)c3ccc(C)cc3)O2)cc1 to have a higher LogP value.,Cc1ccc(S(=O)(=O)NCC2CCC(NS(=O)(=O)c3ccc(C)cc3)C(OC3C(NS(=O)(=O)c4ccc(C)cc4)C(O)C(NS(=O)(=O)c4ccc(C)cc4)C(OC4OC(CO)C(O)C(N=[N+]=[N-])C4OCc4ccccc4)C3C(=O)[OH])O2)cc1
MR,Modify the molecule CCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccco1 to increase its MR value.,CC(=O)c1ccc(S(=O)(=O)NC(CC)C(=O)NCc2ccco2)cc1
QED,Please optimize the molecule CSC1(CNC(=O)c2ccnc(N)c2)CCC1 to have a lower QED value.,CSC1(CNC(=O)c2ccnc(N)c2)CC(N)C1
AtomNum,"The molecule consists of 22 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCN(C(=O)COC(=O)CCNC(=O)c1n[nH]c2ccccc12)c1nc2ccccc2s1
BondNum,"There is a molecule composed of 11 single bonds, 2 double bonds, 6 rotatable bonds, and 32 aromatic bonds.",Cc1c(C(=O)Nc2ccc(Oc3ncnn4ccc(-c5nccs5)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 nitrile group.",COc1cccc(C#N)c1NC(=O)NC1CCCC1
AddComponent,Modify the molecule COc1cc(C=C(C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc(Cl)cc1 by adding a benzene ring.,COc1cc(C=C(C#N)c2ccc(Cl)c(-c3ccccc3)c2Cl)cc(I)c1OCc1ccc(Cl)cc1
SubComponent,Please substitute a halo in the molecule C[NH+]1CCC(O)(c2cc(Cl)ccc2NC(=O)C(C)(C)C)CC1 with a carboxyl.,C[NH+]1CCC(O)(c2cc(C(=O)[OH])ccc2NC(=O)C(C)(C)C)CC1
DelComponent,Please remove a C[NH+]=C(NCCC[NH+]1CCCC1C(=O)N(C)C)NCc1cccc(F)c1 from the molecule amine.,C[NH+]=C(CCC[NH+]1CCCC1C(=O)N(C)C)NCc1cccc(F)c1
LogP,Please optimize the molecule C=CCCOc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)C)cc1 to have a higher LogP value.,C=CCCOc1ccc(S(=O)(=O)NC(C(=O)NC#N)C(C)C)cc1
MR,Modify the molecule CCc1cccc(C)c1NC(=O)c1ccc(NC(=O)C2=CSCCO2)cc1 to increase its MR value.,Cc1cccc(CCc2ccccc2)c1NC(=O)c1ccc(NC(=O)C2=CSCCO2)cc1
QED,Please modify the molecule CCCCC(CC)C([NH2+]C)c1cc(F)ccc1C to decrease its QED value.,CCCCC(CC)C([NH2+]C)c1ccccc1C
AtomNum,"There is a molecule consisting of 25 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc2c(c1)OC(=O)CN2CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
BondNum,"The molecule has 9 single bonds, 2 rotatable bonds, and 10 aromatic bonds.",COc1ccc2onc(C3CCC[NH2+]C3)c2c1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 hydroxyl group, 1 ester group, and 5 halo groups.",COC(=O)c1ccc(Oc2ccc(C(C)C(O)(c3cc(C)c(=O)n(C)c3)C(F)(F)F)c(Cl)c2)cc1Cl
AddComponent,Modify the molecule O=C1CCCCCN1CC(=O)N1CC(O)C2(CCCO2)C1 by adding a benzene ring.,O=C1CCCCCN1CC(=O)N1CC(O)C2(C1)OCCC2c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule COc1cc(C=C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1O with a carboxyl.,COc1cc(C=C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1C(=O)[OH]
DelComponent,Please remove a O=S1(=O)CCC(n2c(CCCl)nc3ccc(Cl)cc32)CC1 from the molecule halo.,O=S1(=O)CCC(n2c(CCCl)nc3ccccc32)CC1
LogP,Please optimize the molecule COCCN(CC(=O)Nc1[nH+]c(-c2ccc(Cl)cc2)cn1-c1ccc(C)c(C)c1)C(=O)Cc1ccccc1 to have a lower LogP value.,CC(=O)c1ccc(-c2cn(-c3ccc(C)c(C)c3)c(NC(=O)CN(CCOC)C(=O)Cc3ccccc3)[nH+]2)cc1
MR,Optimize the molecule CN(Cc1ccccc1Cl)C(=O)C=Cc1ccc(OCC#N)cc1 to have a lower MR value.,CN(CCl)C(=O)C=Cc1ccc(OCC#N)cc1
QED,Modify the molecule Cn1c(C2CCCN(S(C)(=O)=O)C2)nn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c1=O to have a higher QED value.,Cn1c(C2CCCN(S(C)(=O)=O)C2)nn(CC(=O)Nc2cccc([SH]=O)c2)c1=O
AtomNum,"The molecule is composed of 23 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(C)C(NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1nc(C2CC2)no1
BondNum,"The molecule consists of 11 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(F)cc1C(COC(C)(C)C)NN
FunctionalGroup,"There is a molecule with 1 amide group, and 1 sulfide group.",Cc1nn(C)c(C)c1CCCN(C)C(=O)c1cc2cn(C(C)C)cc2s1
AddComponent,Add a benzene ring to the molecule CSCCC([NH3+])c1nc2ccc(Br)cc2s1.,CSCCC([NH3+])(c1ccccc1)c1nc2ccc(Br)cc2s1
SubComponent,Modify the molecule Cc1cc(Br)ccc1NCC1(C[NH3+])CC1 by substituting a halo with a nitrile.,Cc1cc(C#N)ccc1NCC1(C[NH3+])CC1
DelComponent,Remove a amine from the molecule O=S1(=O)CCC(n2cc(Nc3nc(NC4CCC([NH+]5CCOCC5)CC4)c4c5c(sc4n3)COCC5)cn2)CC1.,O=S1(=O)CCC(n2cc(-c3nc(NC4CCC([NH+]5CCOCC5)CC4)c4c5c(sc4n3)COCC5)cn2)CC1
LogP,Please optimize the molecule CC(NC(=O)Nc1cc(N)c(C(=N)OC2CCOC2)c[nH+]1)c1ccccc1 to have a lower LogP value.,CC(NC(=O)Nc1cc(N)c(C(=N)OC2CCOC2)c[nH+]1)c1ccccc1O
MR,Optimize the molecule CCCCS(=O)Cc1ccc(C[NH3+])cc1 to have a lower MR value.,CCCCS(=O)CC[NH3+]
QED,Optimize the molecule CNC(=O)C1C[NH2+]CCN1C(=O)c1cc(Br)cc(Br)c1 to have a lower QED value.,CNC(=O)C1C[NH2+]CCN1C(=O)c1cc(Br)cc(Br)c1O
AtomNum,"There is a molecule composed of 22 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 3 fluorine atoms.",Cc1cc(C#N)ccc1C([NH3+])C1=C(Nc2cccc(C(F)(F)F)c2)CCCC1=O
BondNum,"There is a molecule with 15 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCc1nn(CC)c(CN2CC[NH2+]CC2CC)c1Cl
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,COc1cc(NC(=O)NC2CCN(c3nc4ccccc4n(C)c3=O)CC2)cc(OC)c1
AddComponent,Please add a hydroxyl to the molecule Cc1nn(Cc2cc(F)cc(Br)c2)c(C)c1C(C)O.,Cc1c(C(C)O)c(CO)nn1Cc1cc(F)cc(Br)c1
SubComponent,Substitute a O=S1(=O)CCC(C(Cl)c2c(F)cccc2F)C1 in the molecule halo with a carboxyl.,O=C([OH])C(c1c(F)cccc1F)C1CCS(=O)(=O)C1
DelComponent,Modify the molecule amide by removing a CC[NH+]1CC(=O)N2CCCC1C2.,CC[NH+]1C2CCCC21
LogP,Modify the molecule Cc1nc2ncccc2c(=O)n1C(C)Cc1ccc(Cl)cc1 to decrease its LogP value.,Cc1nc2ncccc2c(=O)n1C(C)Cc1ccc(Cl)c(O)c1
MR,Modify the molecule O=C([O-])c1cc(NCc2cc(F)ccc2F)ccc1Cl to have a lower MR value.,O=C([O-])c1cc(Cc2cc(F)ccc2F)ccc1Cl
QED,Optimize the molecule COCC(=O)N(CCCCCC(=O)[O-])CCC(=O)[O-] to have a higher QED value.,COC(CCCCC(=O)[O-])CCC(=O)[O-]
AtomNum,"Please generate a molecule with 17 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",COc1ncccc1CNC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
BondNum,"The molecule has 10 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",Cc1ccc2nc3n(c2c1)C(c1ccccc1OC(F)F)S(=O)C3
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 1 thioether group, and 1 sulfide group.",COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(C)cc2)cc1
AddComponent,Modify the molecule O=C(COCc1ccccc1)[NH+]=C(N1CCOCC1)n1nnc2ccccc21 by adding a benzene ring.,O=C(COCc1ccccc1)[NH+]=C(N1CCOC(c2ccccc2)C1)n1nnc2ccccc21
SubComponent,Substitute a halo in the molecule C[NH+](C)C=CC(=O)c1ccc(OCc2ccc3cc(F)ccc3n2)cc1C(c1ccccc1)C(C)(C)C with a carboxyl.,C[NH+](C)C=CC(=O)c1ccc(OCc2ccc3cc(C(=O)[OH])ccc3n2)cc1C(c1ccccc1)C(C)(C)C
DelComponent,Modify the molecule benzene ring by removing a COCCOCCN(CCOCCOC)c1ccc(C2=C([O-])C(c3ccc(N(CCOCCOC)CCOCCOC)cc3)C2=O)cc1.,COCCOCCN(CCOCCOC)C1=C([O-])C(c2ccc(N(CCOCCOC)CCOCCOC)cc2)C1=O
LogP,Please optimize the molecule Oc1ccccc1C(=NCCSc1ccccc1)c1ccccc1 to have a higher LogP value.,Oc1ccccc1C(=NCCSc1ccccc1-c1ccccc1)c1ccccc1
MR,Optimize the molecule O=C(C(=O)C(O)C1CCCO1)C(O)C(O)CO to have a higher MR value.,O=C(C(=O)C(O)(c1ccccc1)C1CCCO1)C(O)C(O)CO
QED,Modify the molecule COc1ccc(CCC(=O)Nc2ccc(OC)cc2)cc1 to have a lower QED value.,COc1ccc(Cc2ccc(OC)cc2)cc1
AtomNum,"There is a molecule with 13 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 fluorine atoms.",CC(F)(F)CC1CN(C(=O)OC(C)(C)C)CC1C(=O)[O-]
BondNum,"There is a molecule composed of 21 single bonds, 3 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CC1CN(S(=O)(=O)CCNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC(C)O1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",Cc1cc(N2CCOCC2C(N)=O)ccc1C(=O)[O-]
AddComponent,Please add a amine to the molecule O=C([O-])C1CC1C(=O)NCC1CCC(O)C1.,NC1(C(=O)NCC2CCC(O)C2)CC1C(=O)[O-]
SubComponent,Substitute a hydroxyl in the molecule CC(C)C1CC(O)(C2=CCCCC2)C1 with a carboxyl.,CC(C)C1CC(C(=O)[OH])(C2=CCCCC2)C1
DelComponent,Remove a NS(=O)(=O)Cc1ccc2c(c1)C(c1cc(O)cc(F)c1)Oc1cccc(OC(F)F)c1-2 from the molecule hydroxyl.,NS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(OC(F)F)c1-2
LogP,Optimize the molecule O=S(=O)(Nc1ccccc1F)c1cc(C[NH2+]C2CC2)cs1 to have a higher LogP value.,O=S(=O)(Nc1ccccc1F)c1scc(C[NH2+]C2CC2)c1-c1ccccc1
MR,Optimize the molecule CCc1ccsc1CNC(=O)Cc1ccc(N)cn1 to have a higher MR value.,CCc1ccsc1C(N)NC(=O)Cc1ccc(N)cn1
QED,Modify the molecule CC1=C(CCCCC[NH+]2CCN(S(=O)(=O)c3ccccc3F)CC2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O to increase its QED value.,CC1=C(CCCCC[NH+]2CCN(S(=O)(=O)c3ccccc3F)CC2)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O
AtomNum,"The molecule has 14 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",O=C(NCc1ccncc1)NCc1nc(-c2cccs2)no1
BondNum,"The molecule contains 13 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC(=O)N1CCc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, and 2 amide groups.",CN(C)C(=O)NCC(=O)N1CCC(NC(=O)c2cccnc2)C(O)C1
AddComponent,Modify the molecule CC([NH2+]CCCCCC(=O)[O-])c1cccc(Cl)c1 by adding a benzene ring.,CC([NH2+]CCCCCC(=O)[O-])c1ccc(-c2ccccc2)c(Cl)c1
SubComponent,Modify the molecule halo by substituting a O=C(Nc1ccc(F)cc1)c1nnc(CSc2ccc3c(c2)OCCO3)s1 with a nitrile.,N#Cc1ccc(NC(=O)c2nnc(CSc3ccc4c(c3)OCCO4)s2)cc1
DelComponent,Please remove a benzene ring from the molecule CCN(C(=O)C1C[NH2+]CCO1)c1ccccc1.,CCNC(=O)C1C[NH2+]CCO1
LogP,Optimize the molecule C#CCCC(=O)Nc1cc(C(=O)[O-])ccn1 to have a lower LogP value.,C#CCc1cc(C(=O)[O-])ccn1
MR,Please optimize the molecule Cc1cncc(C(O)C2C[NH+](C)CCO2)c1 to have a higher MR value.,C[NH+]1CCOC(C(O)c2cncc(CO)c2)C1
QED,Please modify the molecule CCC(CC)C(=O)NC1CCN(C(=O)c2cccnc2)CC1 to decrease its QED value.,CCC(C)C1CCN(C(=O)c2cccnc2)CC1
AtomNum,"The molecule consists of 13 carbon atoms, 2 nitrogen atoms, and 1 chlorine atom.",Cn1cc(CCCCC(Cl)C(C)(C)C)cn1
BondNum,"The molecule has 19 single bonds, 4 double bonds, 11 rotatable bonds, and 18 aromatic bonds.",CCC(C)NC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 3 halo groups, and 1 sulfone group.",CC1CCC(Oc2ccc(S(=O)(=O)Cl)c(Cl)c2Cl)CC1C
AddComponent,Please add a hydroxyl to the molecule [NH3+]C1(Cc2c(F)cc(Cl)cc2F)CC1.,[NH3+]C1(C(O)c2c(F)cc(Cl)cc2F)CC1
SubComponent,Modify the molecule nitrile by substituting a N#CCCNC(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1 with a hydroxyl.,O=C(COC(=O)c1ccccc1NC(=O)Cc1ccccc1)NCCO
DelComponent,Remove a halo from the molecule CC(C)SC1=NC=[NH+]C(=O)C1I.,CC(C)SC1=NC=[NH+]C(=O)C1
LogP,Modify the molecule O=C(C[NH+]1CCC(CN2CC[NH2+]CC2)(C(=O)NC2C=c3c(-c4ccncc4)n[nH]c3=CC2)C1)N1CCN(c2ccc(-c3ncc(F)cn3)cc2)CC1 to have a lower LogP value.,N#Cc1cnc(-c2ccc(N3CCN(C(=O)C[NH+]4CCC(CN5CC[NH2+]CC5)(C(=O)NC5C=c6c(-c7ccncc7)n[nH]c6=CC5)C4)CC3)cc2)nc1
MR,Optimize the molecule CC(=O)OC(CCOP(N)(=O)N(CCCl)CCCl)OC(C)=O to have a higher MR value.,CC(=O)OC(CCOP(N)(=O)N(CCS)CCCl)OC(C)=O
QED,Modify the molecule Cn1ncc(NCc2ccccc2C(F)(F)F)c(Br)c1=O to decrease its QED value.,Cn1ncc(NCC(F)(F)F)c(Br)c1=O
AtomNum,"There is a molecule consisting of 26 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)cc1
BondNum,"The molecule contains 15 single bonds, 3 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",Cc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(F)c(F)c4)C3)c2)no1
FunctionalGroup,The molecule contains and 2 amide groups.,CC(C(=O)N(C)CC(=O)NC1CC[NH+](C2CCCCC2)CC1)n1cccn1
AddComponent,Please add a hydroxyl to the molecule CC(C)(C)[NH2+]CC(=O)NCc1ccccc1.,CC(C)(CO)[NH2+]CC(=O)NCc1ccccc1
SubComponent,Substitute a halo in the molecule O=C([O-])COCCNC(=O)C=Cc1cc(Cl)cc(Cl)c1 with a nitro.,ONc1cc(Cl)cc(C=CC(=O)NCCOCC(=O)[O-])c1
DelComponent,Please remove a amine from the molecule CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(O)COc1cccc(C)c1.,CCc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(O)COc1cccc(C)c1
LogP,Optimize the molecule CCOc1ncccc1NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 to have a lower LogP value.,CCOc1ncccc1NC(=O)NCCc1coc(-c2ccc(NO)cc2)n1
MR,Modify the molecule CC(C)COCC[NH+]1CCCCC1CCO to have a lower MR value.,CCC1CCCC[NH+]1CCOCC(C)C
QED,Modify the molecule CCOC(=O)Cc1cc(C(=O)C2CCCCC2)sc1-c1ccccc1 to decrease its QED value.,CCOC(=O)Cc1cc(C(=O)C2CCC(c3ccccc3)CC2)sc1-c1ccccc1
AtomNum,"There is a molecule with 12 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",CN(Cc1ncc[nH]1)C(=O)c1c(N)cccc1Cl
BondNum,"There is a molecule with 13 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC1CN(S(=O)(=O)c2cccc(Cl)c2)CC[NH+]1CCc1ccccc1
FunctionalGroup,"The molecule contains 1 amide group, and 1 sulfone group.",O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
AddComponent,Modify the molecule COCCOCC(=O)NC1CCSC1 by adding a benzene ring.,COCCOCC(=O)NC1CCSC1c1ccccc1
SubComponent,Please substitute a CC[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 in the molecule halo with a nitrile.,CC[NH2+]C(c1ccc(Cl)cc1)c1ccc(C#N)cc1
DelComponent,Remove a C=CCCCCn1c(NC)nc(=O)c2ccccc21 from the molecule amine.,C=CCCCCn1c(C)nc(=O)c2ccccc21
LogP,Please modify the molecule CCCCCCC(=O)N1CCCC(NC(=O)COC)C1 to increase its LogP value.,CCCCCCC(=O)N1CCCC(OC)C1
MR,Please optimize the molecule OC1c2cc(F)c(F)cc2C=CC1F to have a higher MR value.,OC1c2cc(F)c(F)c(-c3ccccc3)c2C=CC1F
QED,Modify the molecule C#CC(CCC)Nc1ncc(C)cc1Br to decrease its QED value.,C#CC(CCC)Nc1ncc(C)c(O)c1Br
AtomNum,"The molecule is composed of 8 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",C[NH2+]C(C)(CSc1ncco1)C(N)=O
BondNum,"Please generate a molecule composed of 14 single bonds, 1 double bond, 9 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(OCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, 1 thioether group, and 1 sulfide group.",NC(=O)CSc1nnc(-c2ccccc2)n1Nc1ccccc1
AddComponent,Modify the molecule CCOCc1cc(C(=O)OCC(=O)c2ccc(OC)c(Cl)c2)ccc1OC by adding a benzene ring.,CCOCc1cc(C(=O)OCC(=O)c2ccc(OC)c(Cl)c2-c2ccccc2)ccc1OC
SubComponent,Modify the molecule Cc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(CC[NH+](C(C)C)C(C)C)c2ccccc2)c1 by substituting a halo with a nitrile.,Cc1ccc(OS(=O)(=O)C(F)(C#N)C(F)(F)C(F)(F)C(F)(F)F)c(C(CC[NH+](C(C)C)C(C)C)c2ccccc2)c1
DelComponent,Please remove a Cc1c(CC(=O)OC2CSC2)cccc1[N+](=O)[O-] from the molecule benzene ring.,CC(C(=O)OC1CSC1)[N+](=O)[O-]
LogP,Modify the molecule COc1c(F)ccc(F)c1C#CCCl to have a lower LogP value.,COc1c(O)ccc(F)c1C#CCCl
MR,Modify the molecule Cc1c(NCc2ccc(OCc3ccccc3)c(Br)c2)cccc1C(=O)[O-] to have a lower MR value.,Cc1c(NCc2ccc(OCc3ccccc3)c(S)c2)cccc1C(=O)[O-]
QED,Modify the molecule CSc1cc(C(=O)NCCOCC(=O)[O-])c(Cl)cc1Cl to have a lower QED value.,CSc1cc(C(=O)NCCOCC(=O)[O-])c(C(=O)[OH])cc1Cl
AtomNum,"The molecule is composed of 16 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",CC(C)(C)n1ncc2c1C(=O)C(Br)C1(CCN(C(=O)[O-])CC1)C2
BondNum,"The molecule has 20 single bonds, 4 double bonds, 12 rotatable bonds, and 24 aromatic bonds.",O=C(NC1CCCC1)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 hydroxyl groups, 1 aldehyde group, 2 amide groups, and 1 halo group.",COc1cc(C=O)cc(I)c1OC1C=C(C(=O)NCCO)CC(N(CCc2cc3ccccc3[nH]2)C(=O)CC2CCCC2)C1O
AddComponent,Please add a hydroxyl to the molecule CCc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(OC)cc3)C(=O)NC2=S)cc1.,CCc1ccc(N2C(=O)C(=Cc3c(O)ccn3-c3ccc(OC)cc3)C(=O)NC2=S)cc1
SubComponent,Please substitute a OCC1(CNc2nc(Cl)ncc2Cl)CCCCC1 in the molecule hydroxyl with a nitrile.,N#CCC1(CNc2nc(Cl)ncc2Cl)CCCCC1
DelComponent,Remove a amide from the molecule Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cc(C)cc(C)c2)cc1.,Cc1ccc(S(=O)(=O)N(c2ccc(N3CCCC3=O)cc2)c2cc(C)cc(C)c2)cc1
LogP,Optimize the molecule Cc1[nH]c2ccccc2c1NC(=O)C1(CO)COC1 to have a higher LogP value.,Cc1[nH]c2ccccc2c1NC(=O)C1(C)COC1
MR,Optimize the molecule Cc1ccc(C(C)[NH+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 to have a lower MR value.,CC(C)[NH+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O
QED,Modify the molecule Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)N4CCCC4C(=O)Nc4ccc(NC(=O)c5ccccc5C)cc4)CC3)c2C)cc1F to increase its QED value.,Cc1ccc(NC(=O)N(C)C(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(NC(=O)c4ccccc4C)cc3)CC2)cc1F
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",O=S1(=NCC2C3C[NH2+]C2C3)CCCC1
BondNum,"Please generate a molecule consisting 11 single bonds, 3 double bonds, and 2 rotatable bonds.",CCC1(C(=O)N(C)C)C=CC=CC1[NH3+]
FunctionalGroup,There is a molecule with and 4 benzene ring groups.,Cc1cc(C)nc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)n1
AddComponent,Add a carboxyl to the molecule COc1ccc(CCC(=O)[O-])cc1B(O)O.,COc1ccc(CC(C(=O)[O-])C(=O)O)cc1B(O)O
SubComponent,Substitute a hydroxyl in the molecule Cc1ccc2nc(-c3cncc(O)c3)sc2c1 with a halo.,Cc1ccc2nc(-c3cncc(Br)c3)sc2c1
DelComponent,Please remove a halo from the molecule CCc1nc(Br)cc(N(Cc2ccccc2)Cc2ccccc2)n1.,CCc1nccc(N(Cc2ccccc2)Cc2ccccc2)n1
LogP,Modify the molecule CCC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(C(C)O)CC1 to have a higher LogP value.,CC(=O)C(C)C1CCN(C(=O)C(NC(=O)c2ccccc2)C(C)CC)CC1
MR,Please optimize the molecule CCC(=O)OC1(C(=O)COC(C)=O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C to have a higher MR value.,CCC(=O)OC1(C(=O)COC(C)=O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(C#N)CC21C
QED,Modify the molecule CC1CN(C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC[NH2+]1 to increase its QED value.,CC1CN(C(=O)c2ccc(CC3C4CC5CC(C4)C3C5)cc2)CC[NH2+]1
AtomNum,"The molecule consists of 10 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)C(C)c1nnc(CCC[NH3+])s1
BondNum,"Please generate a molecule with 13 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",COC1(CNS(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)CCC1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 1 thioether group, and 1 sulfide group.",CSc1nc(C)c(CCC(=O)NCc2ccccc2COCc2ccccc2)c(C)n1
AddComponent,Add a carboxyl to the molecule CCc1nc(C2CCOCC2)c(N)n1CC(C)C.,CCc1nc(C2CCOCC2)c(N)n1CC(C)(C)C(=O)O
SubComponent,Substitute a CCOC(C)(O)CC(C)(C)COCC(C)(C)CC(=O)[O-] in the molecule hydroxyl with a nitrile.,CCOC(C)(C#N)CC(C)(C)COCC(C)(C)CC(=O)[O-]
DelComponent,Remove a benzene ring from the molecule O=C(Cc1ccccc1)NCCNC(=O)NCc1cccnc1.,CC(=O)NCCNC(=O)NCc1cccnc1
LogP,Optimize the molecule NC1C([NH3+])C(O)OC(COC2OC(CO)C(O)C(N)C2[NH3+])C1O to have a higher LogP value.,CC1OC(OCC2OC(O)C([NH3+])C(N)C2O)C([NH3+])C(N)C1O
MR,Please optimize the molecule Oc1ccc(Cl)c2c1CC[NH2+]C2C1CCCO1 to have a higher MR value.,Oc1ccc(Cl)c2c1CC[NH2+]C2(c1ccccc1)C1CCCO1
QED,Please optimize the molecule c1cc(-c2nc3c(c(NC4CC5CCC4C5)n2)CC[NH2+]C3)ccn1 to have a lower QED value.,OC1C2CCC(C2)C1Nc1nc(-c2ccncc2)nc2c1CC[NH2+]C2
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 4 oxygen atoms, and 1 chlorine atom.",Cc1c(C)c2cc(Cl)c(OCC(=O)C(C)(C)C)cc2oc1=O
BondNum,"There is a molecule composed of 13 single bonds, 3 double bonds, and 5 rotatable bonds.",CC(=CC(=O)[O-])[NH2+]CCNC(=O)OC(C)(C)C
FunctionalGroup,Please generate a molecule with and 3 halo groups.,O=C([O-])Cc1ccc(CC(F)(F)F)o1
AddComponent,Add a amine to the molecule O=C(Cl)c1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)s1.,Nc1cc(Cl)c(Cl)cc1CNC(=O)c1ccc(C(=O)Cl)s1
SubComponent,Substitute a halo in the molecule CC(=O)Nc1ccc(S(=O)(=O)N(CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2cccc(C(F)(F)F)c2)cc1 with a nitro.,CC(=O)Nc1ccc(S(=O)(=O)N(CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2cccc(C(F)(F)NO)c2)cc1
DelComponent,Remove a CCCn1nc(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)ccc1=O from the molecule amide.,CCCn1c(=O)cc-n1Cc1ccccc1-c1ccc(Cn2cccn2)cc1
LogP,Modify the molecule CC1=[N+](CCCCCC(=O)O)c2ccc(-c3cccs3)cc2C1(C)C to decrease its LogP value.,CC1=[N+](CCCCCO)c2ccc(-c3cccs3)cc2C1(C)C
MR,Please optimize the molecule CNS(=O)(=O)c1cc(N)ccc1OCCC(F)(F)F to have a higher MR value.,CNS(=O)(=O)c1cc(N)ccc1OCCC(F)(F)S
QED,Please optimize the molecule Cn1c(-c2ccc(N)c(Br)c2)nc2cccnc21 to have a lower QED value.,Cn1c(-c2cc(Br)c(N)cc2C(=O)O)nc2cccnc21
AtomNum,"There is a molecule with 29 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",COC(=O)c1cc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)c2c(OC(C)C)nn(C3CCCCC3)c2n1
BondNum,"The molecule has 11 single bonds, 2 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",CCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(C)c2nnc(C)n2c1
FunctionalGroup,"There is a molecule composed of 2 hydroxyl groups, 2 halo groups, and 4 sulfide groups.",CCCOc1c2cccc1Sc1cc(Br)cc(c1O)Sc1cccc(c1OCCC)Sc1cc(Br)cc(c1O)S2
AddComponent,Modify the molecule CC(OC(=O)CNS(=O)(=O)C=Cc1ccccc1)C(=O)c1ccc(F)cc1 by adding a benzene ring.,CC(OC(=O)CNS(=O)(=O)C=Cc1cccc(-c2ccccc2)c1)C(=O)c1ccc(F)cc1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)C(=O)OCC(=O)C12OC(C3CCCCC3)OC1CC1C3C[CH]C4=CC(=O)C=CC4(C)C3C(O)CC12C with a halo.,CC(C)C(=O)OCC(=O)C12OC(C3CCCCC3)OC1CC1C3C[CH]C4=CC(=O)C=CC4(C)C3C(Br)CC12C
DelComponent,Please remove a CCCOc1ccccc1OCC(O)c1ccc(C#N)cc1 from the molecule hydroxyl.,CCCOc1ccccc1OCCc1ccc(C#N)cc1
LogP,Optimize the molecule N#CC1CCC(Oc2ccccc2F)CC1 to have a lower LogP value.,N#Cc1ccccc1OC1CCC(C#N)CC1
MR,Modify the molecule O=C([O-])CCN(CC[NH+]1CCCC1)c1ccc(F)cc1 to increase its MR value.,O=C([O-])CCN(CC[NH+]1CCCC1)c1ccc(F)cc1O
QED,Please optimize the molecule CCCC[N+]1(c2ccccc2OC)CCC(c2noc3cc(F)ccc23)CC1 to have a higher QED value.,CCCC[N+]1(OC)CCC(c2noc3cc(F)ccc23)CC1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 fluorine atom.",CCC(C)(C)C1CCC(Nc2ccc(F)c(OC)c2)CC1
BondNum,"Please generate a molecule with 7 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C)nc(Sc2cc(S(N)(=O)=O)ccc2N)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 nitro group.",COc1ccc(OCCC[NH2+]C(C)C)c([N+](=O)[O-])c1
AddComponent,Modify the molecule O=C([O-])C=Cc1cc(O)c(O)c2c([O-])c(=O)cc(C(=O)[O-])cc12 by adding a benzene ring.,O=C([O-])C=Cc1c(-c2ccccc2)c(O)c(O)c2c([O-])c(=O)cc(C(=O)[O-])cc12
SubComponent,Please substitute a hydroxyl in the molecule O=C(OCc1cc(O)ccc1OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1 with a thiol.,O=C(OCc1cc(S)ccc1OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1
DelComponent,Remove a COC(C)CNS(=O)(=O)CCCCl from the molecule halo.,CCCS(=O)(=O)NCC(C)OC
LogP,Please optimize the molecule [NH3+]C(Cc1ccc(O)cc1)C(=O)NC(CC(=O)[O-])C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-] to have a lower LogP value.,[NH3+]C(CO)C(=O)NC(CC(=O)[O-])C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]
MR,Optimize the molecule CCSc1nnc(NC(=O)C=C(C)c2cc3c4c(oc3c(C)c2OC)CCCC4)s1 to have a lower MR value.,CCSc1nnc(C(C)c2cc3c4c(oc3c(C)c2OC)CCCC4)s1
QED,Please modify the molecule NS(=O)(=O)c1cc(F)cc(NC(=O)c2cncnc2)c1 to decrease its QED value.,N#Cc1cc(NC(=O)c2cncnc2)cc(S(N)(=O)=O)c1
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CC(C)C([NH3+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NC(CS)C(=O)[O-]
BondNum,"There is a molecule with 19 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",C[NH+](C)CC1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1
FunctionalGroup,"The molecule has 3 benzene ring groups, 1 hydroxyl group, and 1 amide group.",CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)C2c2ccc(OCC(C)C)c(OC)c2)cc1
AddComponent,Modify the molecule CC(Sc1nccn1C)C([NH3+])c1ccc(F)cc1 by adding a hydroxyl.,CC(Sc1nccn1C)C([NH3+])c1ccc(F)cc1O
SubComponent,Please substitute a halo in the molecule O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCc1ccsc1 with a nitro.,ONC(F)(CCC(=O)OCCc1ccsc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
DelComponent,Remove a CC(C(=O)c1ccccc1)S(=O)(=O)Cc1ccc(N)cc1 from the molecule amine.,CC(C(=O)c1ccccc1)S(=O)(=O)Cc1ccccc1
LogP,Please optimize the molecule Cc1ccc(C2=NN3C(C2)c2ccccc2OC3c2ccc(O)cc2)cc1 to have a lower LogP value.,Cc1ccc(C2=NN3C(C2)c2ccccc2OC3c2ccc(C(=O)[OH])cc2)cc1
MR,Please optimize the molecule CCCCN(CCO)c1ncc(C(=O)[O-])cc1N to have a higher MR value.,CC(=O)CCN(CCCC)c1ncc(C(=O)[O-])cc1N
QED,Please optimize the molecule Cc1nn(C)c2ncc(NCc3ccc(C#N)s3)cc12 to have a lower QED value.,Cc1nn(C)c2ncc(NCc3ccc(NO)s3)cc12
AtomNum,"The molecule contains 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 fluorine atom, and 1 bromine atom.",CC(Oc1cc(Br)ccc1F)c1ccc(N)cc1
BondNum,"Please generate a molecule consisting 16 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(-n2nc(C(=O)N(C)CC(C)(C)C[NH3+])c3c2CCCC3)cc1
FunctionalGroup,Please generate a molecule consisting and 2 halo groups.,O=C1N=CC(Cl)=C2CC(Cl)=CN=C12
AddComponent,Please add a carboxyl to the molecule C[NH2+]CC1CC[NH+](C2CCC(C)(C)c3ccccc32)C1.,C[NH2+]CC1CC[NH+](C2CCC(C)(C)c3ccc(C(=O)O)cc32)C1
SubComponent,Modify the molecule CC([NH2+]CC1CSCCS1)c1c(F)cccc1F by substituting a halo with a nitro.,CC([NH2+]CC1CSCCS1)c1c(F)cccc1NO
DelComponent,Modify the molecule hydroxyl by removing a Cc1ccc(F)c(C(O)c2c(C(C)C)nn(C)c2Cl)c1.,Cc1ccc(F)c(Cc2c(C(C)C)nn(C)c2Cl)c1
LogP,Please modify the molecule CCCn1ccnc(NC(C)c2ccco2)c1=O to decrease its LogP value.,CCCn1ccnc(C(C)c2ccco2)c1=O
MR,Please modify the molecule CCc1cccc(CC)c1NC(=O)CCc1nc(-c2cccc(F)c2)no1 to increase its MR value.,CCc1cccc(CC)c1NC(=O)CCc1nc(-c2cccc(O)c2)no1
QED,Modify the molecule Cc1ccc(N2CCCC(NC(=O)N(C3CC3)C(C)C(C)C)C2)nn1 to decrease its QED value.,Cc1ccc(N2CC(N)CC(NC(=O)N(C3CC3)C(C)C(C)C)C2)nn1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",COc1ccccc1N1CC[NH+](CCCNC=O)CC1
BondNum,"The molecule contains 13 single bonds, 1 double bond, and 4 rotatable bonds.",C=C(C)CCN1CCCC(C)C1C[NH3+]
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amine group.",CC1=[N+](CCNC(=O)Nc2cc(C)cc(C)c2)CCN1
AddComponent,Please add a nitrile to the molecule CCO[Si](CCCNC(=O)c1c(I)c(N)c(I)c(C(=O)NCCC[Si](OCC)(OCC)OCC)c1I)(OCC)OCC.,CCO[Si](CCCNC(=O)c1c(I)c(N)c(I)c(C(=O)NCCC[Si](OCC)(OCC)OC(C)C#N)c1I)(OCC)OCC
SubComponent,Substitute a O=S([O-])Nc1cc2c(cc1Cl)NC(C1CCCCC1)NS2(=O)=O in the molecule halo with a nitrile.,N#Cc1cc2c(cc1NS(=O)[O-])S(=O)(=O)NC(C1CCCCC1)N2
DelComponent,Remove a COc1ccc(CCC(=O)c2c(OC(=O)OCc3ccccc3)cccc2OC2OC(CO)C(O)C(OC(=O)OCc3ccccc3)C2OC(=O)OCc2ccccc2)cc1 from the molecule benzene ring.,COC(=O)OC1C(O)C(CO)OC(Oc2cccc(OC(=O)OCc3ccccc3)c2C(=O)CCc2ccc(OC)cc2)C1OC(=O)OCc1ccccc1
LogP,Please modify the molecule O=C(CC(F)(F)F)Nc1cc(N2CCOCC2)n2nccc2n1 to increase its LogP value.,O=C(CC(F)(F)F)Nc1cc(N2CCOC(S)C2)n2nccc2n1
MR,Please optimize the molecule Cc1c(-c2ccccc2)c2ccc(Cl)cc2c2ccccc12 to have a higher MR value.,CC(=O)c1ccc2c(-c3ccccc3)c(C)c3ccccc3c2c1
QED,Please optimize the molecule CCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1ccc(Br)o1 to have a higher QED value.,CCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1ccco1
AtomNum,"There is a molecule composed of 18 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CN(CC1CC2CCC1C2)C(=O)C(C)([NH3+])c1ccccc1
BondNum,"Please generate a molecule composed of 38 single bonds, 5 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cc(C(=O)NCC(C)C)ccc3Cl)CC2)cccc1C(=O)N1CCCC(C)C1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, 1 amine group, and 1 halo group.",CN1CC[NH+](Cc2ccc(Nc3cc(-c4cccc(-n5ncc6cc(C(C)(C)C)cc(F)c6c5=O)c4O)nn4ccnc34)nc2)CC1
AddComponent,Add a hydroxyl to the molecule CCOC(=O)c1c(N)sc(N=Cc2cc(-c3ccc(OCC4(C)COC4)cc3)c(C=Nc3sc(N)c(C(=O)OCC)c3C(=O)OCC)s2)c1C(=O)OCC.,CCOC(=O)c1c(N)sc(N=Cc2cc(-c3ccc(OCC4(C)COC4)cc3)c(C(O)=Nc3sc(N)c(C(=O)OCC)c3C(=O)OCC)s2)c1C(=O)OCC
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc(Cl)cc1NC(=O)CSc1[nH+]cc(CO)n1CC(=O)NC(C)C with a nitro.,COc1ccc(Cl)cc1NC(=O)CSc1[nH+]cc(CNO)n1CC(=O)NC(C)C
DelComponent,Modify the molecule O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1nnc(-c2ccsc2)s1 by removing a amide.,O=S(=O)(NCc1nnc(-c2ccsc2)s1)c1ccc2ccccc2c1
LogP,Modify the molecule N#Cc1nccnc1OC1CCC(NC(=O)c2ncn[nH]2)CC1 to have a higher LogP value.,O=C(NC1CCC(Oc2nccnc2S)CC1)c1ncn[nH]1
MR,Please modify the molecule O=C(C1CCSC1)N1CC(O)C(O)C1 to increase its MR value.,O=C(C1CCSC1)N1CC(O)C(I)C1
QED,Please optimize the molecule Cc1cc(C)cc(OCC(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2O)c1 to have a lower QED value.,Cc1cc(C)cc(OCC(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2Br)c1
AtomNum,"The molecule consists of 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC12OC(=O)C=C1CC([NH2+]C1CC1)CN1CCCCC12
BondNum,"The molecule consists of 6 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(-c2cc(CCO)on2)c(C)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 hydroxyl group.",COc1ccc(COC2OCC(O)C3OC(C)(C)OC23)cc1
AddComponent,Please add a benzene ring to the molecule C[NH+]=C(NCCCCOc1ccccc1)NCc1ccc(C)cc1OCC1CCOC1.,C[NH+]=C(NCCCCOc1cccc(-c2ccccc2)c1)NCc1ccc(C)cc1OCC1CCOC1
SubComponent,Modify the molecule O=C(CC1(O)CCCCC1)NC(c1cccc(F)c1)c1ccccn1 by substituting a halo with a hydroxyl.,O=C(CC1(O)CCCCC1)NC(c1cccc(O)c1)c1ccccn1
DelComponent,Modify the molecule CC1(C)C(=O)C(Br)C1CCl by removing a halo.,CC1(C)C(=O)CC1CCl
LogP,Modify the molecule Cc1cc(F)ccc1C(Cc1ccc2c(c1)CCC2)NN to decrease its LogP value.,CC(F)(Cc1ccc2c(c1)CCC2)NN
MR,Please modify the molecule CC(O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)cc2)C1 to increase its MR value.,CC(C#N)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)cc2)C1
QED,Optimize the molecule O=C([O-])c1ccc(C=CC(=O)c2cc(F)ccc2F)cc1 to have a lower QED value.,ONc1ccc(F)c(C(=O)C=Cc2ccc(C(=O)[O-])cc2)c1
AtomNum,"Please generate a molecule consisting 28 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 1 fluorine atom.",CNc1nccc(-c2[nH]c(C3OCC(C)(CNC(=O)Cc4ccccc4)CO3)nc2-c2ccc(F)cc2)n1
BondNum,"The molecule contains 10 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",Cn1c(CNC(=O)c2ccccc2)nc2c1CCCC2
FunctionalGroup,The molecule consists of and 1 ketone group.,CC(C)C1CCC2(C(=O)[O-])CCC3(C)C(CCC4C5(C)CC(N=[N+]=[N-])C(=O)C(C)(C)C5CCC43C)C12
AddComponent,Modify the molecule COc1ccc([NH+]=C(SC)N2CCC(O)CC2)cn1 by adding a benzene ring.,COc1ccc([NH+]=C(SC)N2CCC(O)CC2c2ccccc2)cn1
SubComponent,Modify the molecule halo by substituting a COc1ccc(C(C)[NH2+]CCCNS(C)(=O)=O)cc1F with a nitro.,COc1ccc(C(C)[NH2+]CCCNS(C)(=O)=O)cc1NO
DelComponent,Modify the molecule amine by removing a C[NH+]=C(NCCCn1ccc2ccccc21)NCc1ccc(OC)cc1.,C[NH+]=C(CCCn1ccc2ccccc21)NCc1ccc(OC)cc1
LogP,Optimize the molecule CC(C)(C)OC(=O)NCc1ccc(S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 to have a lower LogP value.,CC(C)(C)OC(=O)NCc1ccc(S(=O)(=O)C(=O)[O-])s1
MR,Please optimize the molecule COc1cccc2c(C(N)=S)cn(CC3CCCCC3)c12 to have a lower MR value.,COc1cccc2c(C=S)cn(CC3CCCCC3)c12
QED,Please modify the molecule CN(Cc1ccccc1)C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 to decrease its QED value.,CN(C)C(=O)N1CCC2(CCC2)S(=O)(=O)CC1
AtomNum,"There is a molecule with 20 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",O=C(c1cncc2ccccc12)N1CCCC(O)(C(=O)N2CCCC2)C1
BondNum,"Please generate a molecule with 10 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCCCCNC(=O)NC=Cc1cccc(C)c1
FunctionalGroup,"The molecule has 3 benzene ring groups, 2 hydroxyl groups, 1 amide group, and 1 halo group.",Cc1c(COc2cc(OCc3cncc(C(N)=O)c3)c(C[NH2+]C(C)(CO)C(=O)[O-])cc2Cl)cccc1-c1cccc(OCCC[NH+]2CCC(O)(C(=O)[O-])C2)c1C
AddComponent,Please add a aldehyde to the molecule COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC(CC[NH3+])C1.,COc1cc(CC=O)c(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC(CC[NH3+])C1
SubComponent,Modify the molecule CCC1Cc2c(C(F)F)nn(CC(=O)NC(Cc3cc(F)cc(F)c3)c3nc(C)c(N)cc3-c3ccc(Cl)c4c(NS(C)(=O)=O)nn(C)c34)c2C1(F)F by substituting a halo with a aldehyde.,CC(=O)C(F)c1nn(CC(=O)NC(Cc2cc(F)cc(F)c2)c2nc(C)c(N)cc2-c2ccc(Cl)c3c(NS(C)(=O)=O)nn(C)c23)c2c1CC(CC)C2(F)F
DelComponent,Remove a benzene ring from the molecule c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2cc3ccc(-c4ccc(-c5cn6cccnc6[nH+]5)cc4)cc3cc21.,c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2cc3ccc(-c4cn5cccnc5[nH+]4)cc3cc21
LogP,Modify the molecule Cc1ccncc1NC(=O)C(C)(C)[NH3+] to decrease its LogP value.,CC(C)([NH3+])C(=O)Nc1cnccc1CO
MR,Modify the molecule CC(C)(C)[NH2+]CC(=O)N(CC(=O)[O-])c1ccccc1 to have a lower MR value.,CC(C)(C)[NH2+]CC(=O)NCC(=O)[O-]
QED,Modify the molecule COC(=O)C1C2CCC(NC(=O)C(CCSC)NC(=O)OC(C)(C)C)(C(=O)OC)C21 to decrease its QED value.,COC(=O)C1C2CCC(NC(=O)C(CCSC)NC(=O)OC(C)(C)CC(=O)O)(C(=O)OC)C21
AtomNum,"There is a molecule composed of 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 6 fluorine atoms.",O=C([O-])COC1CCN(c2ccc(C(F)(F)F)cc2C(F)(F)F)C1
BondNum,"The molecule is composed of 16 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCC[NH2+]Cc1cc(F)cnc1N(C)C1CCC[NH+](C)C1
FunctionalGroup,"Please generate a molecule composed of 2 hydroxyl groups, and 1 ketone group.",CC1=CC(=O)C2C(C)(C)CCCC2(C)C1(O)CO
AddComponent,Modify the molecule O=C(CN1C(=O)SC(=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)C1=O)Nc1ccccc1F by adding a amine.,Nc1cc(COc2c(Br)cc(C=C3SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc2Br)cc2ccccc12
SubComponent,Please substitute a nitrile in the molecule C[NH+](C)C1(CNc2ncccc2C#N)CCOCC1 with a halo.,C[NH+](C)C1(CNc2ncccc2Cl)CCOCC1
DelComponent,Please remove a CC(CC(C)N(C)C(=O)c1ccc(F)c(F)c1)C[NH+]1CC(O)C1 from the molecule hydroxyl.,CC(CC(C)N(C)C(=O)c1ccc(F)c(F)c1)C[NH+]1CCC1
LogP,Please optimize the molecule Cc1noc(C)c1Cn1cc(NC(=O)c2scc(S(C)(=O)=O)c2Cl)cn1 to have a lower LogP value.,Cc1noc(C)c1Cn1cc(-c2(Cl)c(S(C)(=O)=O)cs-2)cn1
MR,Optimize the molecule Cc1ncc(-c2ccc(C(=O)Nc3nc4cc(N(C)C(=O)c5ncco5)ccc4n3CC(C)(C)O)s2)o1 to have a higher MR value.,Cc1ncc(-c2ccc(C(=O)Nc3nc4cc(N(C)C(=O)c5ncco5)ccc4n3CC(C)(C)C#N)s2)o1
QED,Please optimize the molecule COc1ccc(Cl)cc1N(CC(=O)NCCCSCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 to have a higher QED value.,COc1ccc(Cl)cc1N(CC(=O)NCCCSCCl)S(=O)(=O)c1ccccc1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",Nc1ncnc2c1ncn2C1OC(COC(=O)c2ccccc2)CC1O
BondNum,"The molecule has 8 single bonds, 4 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",Cc1ccc2nc(COC(=O)C=Cc3ccccc3[N+](=O)[O-])cc(=O)n2c1
FunctionalGroup,The molecule has and 1 halo group.,Cc1nc(-n2cc(I)cn2)n[nH]1
AddComponent,Modify the molecule O=C1CCN(C(=O)C[NH+]2CCN(CC3CC3)CC2)CC1 by adding a hydroxyl.,O=C1CCN(C(=O)C[NH+]2CCN(CC3CC3)CC2O)CC1
SubComponent,Modify the molecule halo by substituting a C=CCCCCOc1ccc(I)cc1 with a carboxyl.,C=CCCCCOc1ccc(C(=O)[OH])cc1
DelComponent,Remove a amide from the molecule CCC1C[NH+]2CCCC2CN1C(=O)NCC1CCCN(C(C)=O)C1.,CCC1C[NH+]2CCCC2CN1C(=O)NCC1CCCC1
LogP,Please optimize the molecule CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC to have a higher LogP value.,CC(=O)C(=Cc1ccc(OCCCCCC)c(OC)c1)C(=O)Nc1ccc2c(c1)OCCO2
MR,Optimize the molecule CNC(c1ccccc1Br)C1(C#N)CCC1 to have a lower MR value.,CNC(c1ccccc1S)C1(C#N)CCC1
QED,Modify the molecule O=[N+]([O-])c1cnn(C2C[NH2+]CC(F)C2)c1Cl to decrease its QED value.,O=[N+]([O-])c1cnn(C2C[NH2+]CC(F)C2)c1
AtomNum,"There is a molecule composed of 9 carbon atoms, 4 nitrogen atoms, and 3 fluorine atoms.",[NH3+]CCc1cccc2nc(C(F)(F)F)nn12
BondNum,"Please generate a molecule with 27 single bonds, 1 double bond, 21 rotatable bonds, and 36 aromatic bonds.",COc1ccc(OP(N[P+](N=[P+](Oc2ccc(OC)cc2)Oc2ccc(OC)cc2)(Oc2ccc(OC)cc2)Oc2ccc(OC)cc2)Oc2ccc(OC)cc2)cc1
FunctionalGroup,"Please generate a molecule consisting 1 ester group, 1 halo group, and 1 sulfide group.",CCOC(=O)Cn1c(=NC(=O)c2cc3ccccc3cc2OC)sc2cc(Cl)ccc21
AddComponent,Modify the molecule Cc1ncsc1C1[NH2+]CCc2cc(O)ccc21 by adding a benzene ring.,Cc1ncsc1C1[NH2+]CCc2cc(O)c(-c3ccccc3)cc21
SubComponent,Modify the molecule Cc1ccc(NC(=O)COC(=O)CSCC(=O)N(C)C2CCCCC2)cc1Cl by substituting a halo with a hydroxyl.,Cc1ccc(NC(=O)COC(=O)CSCC(=O)N(C)C2CCCCC2)cc1O
DelComponent,Please remove a benzene ring from the molecule CCNC(NCC(C)C(=O)OC)=[NH+]Cc1ccccc1CC.,CCC[NH+]=C(NCC)NCC(C)C(=O)OC
LogP,Please optimize the molecule CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(N3CCCC3)c(Cl)c2)cc1 to have a lower LogP value.,CS(=O)(=O)c1ccc(-n2cnc(C#N)c2-c2ccc(N3CCCC3)c(Cl)c2)cc1
MR,Modify the molecule S=c1[nH]c2cc(I)ccc2n1-c1ccc(Cl)c(Cl)c1 to have a higher MR value.,S=c1[nH]c2cc(I)c(-c3ccccc3)cc2n1-c1ccc(Cl)c(Cl)c1
QED,Optimize the molecule O[P+](c1ccc2ccccc2c1)(c1cnc2ccccc2c1)c1cccc2c1nc1c3cc(P(c4ccccc4)c4ccccc4)ccc3c3ccccc3n21 to have a higher QED value.,O[P+](c1ccc2ccccc2c1)(c1cnc2ccccc2c1)c1cccc2c1nc1c3cc(Pc4ccccc4)ccc3c3ccccc3n21
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 3 sulfur atoms.",Cn1c(=O)n(CC(S)CS)c(=O)c2sccc21
BondNum,"Please generate a molecule consisting 11 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(O)CN(C)C(=O)C1COc2ccccc21
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 sulfide group.",O=C(NCCc1ccco1)c1cc2sccc2n1Cc1ccccc1
AddComponent,Modify the molecule CCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)[NH2+]C(C)(C)C1 by adding a hydroxyl.,CCCCN(c1nc(Cl)nc(N(CC(O)CC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)[NH2+]C(C)(C)C1
SubComponent,Please substitute a halo in the molecule Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c(=O)n(C)c1=O with a aldehyde.,CC(=O)c1ccccc1-c1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2n1
DelComponent,Please remove a benzene ring from the molecule CC(=O)NCC1OC(C(=O)NCc2ccccc2)C(OC(C)=O)C1OC(C)=O.,CNC(=O)C1OC(CNC(C)=O)C(OC(C)=O)C1OC(C)=O
LogP,Modify the molecule CC(C)(C)C1C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2Cl)C(=O)N1Cc1ccc(F)cn1 to decrease its LogP value.,CC(C)(C)C1C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)C(=O)N1Cc1ccc(F)cn1
MR,Please optimize the molecule CCNC(NCc1ccc(F)cc1CSC)=[NH+]Cc1cccnc1OCCOC to have a higher MR value.,CC(=O)c1ccc(CNC(NCC)=[NH+]Cc2cccnc2OCCOC)c(CSC)c1
QED,Optimize the molecule N#CCCn1cc(CNc2ncccn2)c(-c2ccccc2)n1 to have a higher QED value.,CCn1cc(CNc2ncccn2)c(-c2ccccc2)n1
AtomNum,"The molecule is composed of 19 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(NS(C)(=O)=O)CC1
BondNum,"There is a molecule with 11 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(NC(=O)CC(O)c2ccc(Cl)cc2)c(N(C)C)n1
FunctionalGroup,Please generate a molecule with and 3 halo groups.,Cn1c(C(F)(F)F)c[nH+]c1CC(=O)[O-]
AddComponent,Modify the molecule O=C(NCCN1CCCOC1=O)c1cnn2c1CCCC2 by adding a hydroxyl.,O=C(NCCN1CCCOC1=O)c1c(O)nn2c1CCCC2
SubComponent,Substitute a halo in the molecule Cc1ccc(Nc2ccnc(NC(C)c3ccccc3)n2)c(Br)c1 with a nitro.,Cc1ccc(Nc2ccnc(NC(C)c3ccccc3)n2)c(NO)c1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)-c2ccccc2C2c4c(cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C)cn5)c5c4oc4ccccc45)C4(c5ccccc5-c5ccccc54)C32)nc1.,Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)C2c4ccccc4-c4cc(N(c5ccc(C)cn5)C(C)(C)C)ccc4C2C32c3ccccc3-c3ccccc32)nc1
LogP,Optimize the molecule O=C(NCc1cnn(-c2ccc(Cl)cc2)c1)NC1CCSc2ccc(F)cc21 to have a lower LogP value.,O=C(NCc1cnn(-c2ccc(C(=O)[OH])cc2)c1)NC1CCSc2ccc(F)cc21
MR,Modify the molecule CC1C=C(C=NO)C=C2C(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)=[NH+]C=[NH+]C21 to increase its MR value.,OCC1C=C(C=NO)C=C2C(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)=[NH+]C=[NH+]C21
QED,Optimize the molecule COc1c(C(=O)[O-])oc(C)c(Br)c1=O to have a higher QED value.,Cc1oc(C(=O)[O-])c(OCc2ccccc2)c(=O)c1Br
AtomNum,"The molecule has 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",C[NH+]=C(NC1C2CCOC2C1(C)C)N(C)Cc1ccc2c(c1)OCO2
BondNum,"The molecule consists of 7 single bonds, 3 rotatable bonds, and 16 aromatic bonds.",c1ccc(CNc2nc3c(s2)CCc2occc2-3)cc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 ketone group, 1 amine group, 1 halo group, and 1 sulfide group.",CC(=O)c1cccc(Nc2nc(Cl)nc3scc(-c4ccccc4)c23)c1
AddComponent,Please add a benzene ring to the molecule Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl.,Cc1cc(-c2ccccc2)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl
SubComponent,Modify the molecule hydroxyl by substituting a CC1C[NH+](Cc2ccccc2C#CCO)CC(C)S1 with a nitrile.,CC1C[NH+](Cc2ccccc2C#CCC#N)CC(C)S1
DelComponent,Remove a halo from the molecule COc1cc(Cl)c(CC(=O)NCC(=O)c2ccco2)cc1C1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.,COc1ccc(CC(=O)NCC(=O)c2ccco2)cc1C1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
LogP,Modify the molecule Fc1cccc(C[NH+]2CC3CC3(c3ccccc3)C2)c1 to have a higher LogP value.,Sc1cccc(C[NH+]2CC3CC3(c3ccccc3)C2)c1
MR,Please modify the molecule O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(OS(=O)(=O)[O-])c1)c1cc(O)c(O)c(O)c1 to increase its MR value.,N#Cc1cc(O)cc2c1CC(OC(=O)c1cc(O)c(O)c(O)c1)C(c1ccc(O)c(OS(=O)(=O)[O-])c1)O2
QED,Modify the molecule Cc1cccc(CCN2CC[NH2+]C(c3ccccc3)C2)c1 to have a lower QED value.,CCCN1CC[NH2+]C(c2ccccc2)C1
AtomNum,"There is a molecule with 15 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",O=C(COCc1nc(-c2ccncc2)no1)N1CCCCC1
BondNum,"Please generate a molecule with 16 single bonds, 2 rotatable bonds, and 16 aromatic bonds.",CC1CCc2ccccc2N1c1n[nH]c2nc(N3CCC(C)([NH3+])CC3)cnc12
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 3 amine groups.",C[NH+]=C(NCc1nc(C)c(C)o1)NCc1ccc(C)cc1OC(C)CC(C)C
AddComponent,Add a benzene ring to the molecule O=C1CC=NC1=C1[NH2+]CC=C1O.,O=C1CC=NC1=C1[NH2+]C(c2ccccc2)C=C1O
SubComponent,Substitute a CC(C(N)=S)N(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 in the molecule halo with a thiol.,CC(C(N)=S)N(C)S(=O)(=O)c1cccc(C(F)(F)S)c1
DelComponent,Remove a halo from the molecule CCOP(=O)(OCC)C(F)Sc1ncccn1.,CCOP(=O)(CSc1ncccn1)OCC
LogP,Please optimize the molecule COc1cccc(C2C=C(c3ccc(F)cc3)Nc3nnnn32)c1OC(F)F to have a lower LogP value.,COc1cccc(C2C=C(c3ccc(F)cc3)c3nnnn32)c1OC(F)F
MR,Please modify the molecule CC1CN(C(=O)Nc2nc3ccsc3s2)CC(C)[NH+]1CCO to decrease its MR value.,CC[NH+]1C(C)CN(C(=O)Nc2nc3ccsc3s2)CC1C
QED,Modify the molecule COC1=CC(=O)N(c2c(F)cccc2F)C(C)[NH+]1CCc1ccccc1 to have a lower QED value.,COC1=CC(=O)N(c2c(O)cccc2F)C(C)[NH+]1CCc1ccccc1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC1CC1N1CC(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1=O
BondNum,"The molecule contains 7 single bonds, 2 double bonds, 4 rotatable bonds, and 17 aromatic bonds.",Cc1cc(OCc2ccccc2)c(C)c2oc(=O)c(C(=O)[O-])cc12
FunctionalGroup,There is a molecule consisting of and 1 amine group.,Cc1ccc(C(=O)[O-])c(NC(C)C2CCC2)n1
AddComponent,Modify the molecule CC(C)c1cccc(C(C)C)c1NC(C)c1ccnc(C(C)Nc2c(C(C)C)cccc2C(C)C)n1 by adding a benzene ring.,CC(C)c1cccc(C(C)C)c1NC(C)c1cc(-c2ccccc2)nc(C(C)Nc2c(C(C)C)cccc2C(C)C)n1
SubComponent,Please substitute a NCCNCc1[nH]c(SC(F)(F)F)c[nH+]1 in the molecule halo with a hydroxyl.,NCCNCc1[nH]c(SC(O)(F)F)c[nH+]1
DelComponent,Please remove a benzene ring from the molecule CCOc1ccc(C2=NC(=CC=Cc3ccccc3OC)C(=O)O2)cc1.,CCOc1ccc(C2=NC(=CC=COC)C(=O)O2)cc1
LogP,Modify the molecule Cc1ccc(-c2nc(C(=O)NC3C=CC(CO)C3)cs2)cc1 to increase its LogP value.,Cc1ccc(-c2nc(C(=O)NC3C=CC(C)C3)cs2)cc1
MR,Please optimize the molecule COCC(C)n1c(CCCl)nc2cc(OC)c(OC)cc21 to have a lower MR value.,CCc1nc2cc(OC)c(OC)cc2n1C(C)COC
QED,Please modify the molecule CCC(C)CN(C)S(=O)(=O)c1ccc(F)cc1C#CCO to decrease its QED value.,CC(O)C(C)CN(C)S(=O)(=O)c1ccc(F)cc1C#CCO
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 3 nitrogen atoms, and 3 fluorine atoms.",N#Cc1c(N2CC[NH2+]CC2)cccc1C(F)(F)F
BondNum,"The molecule consists of 8 single bonds, 2 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",CNS(=O)(=O)c1ccccc1NCCCc1ncn[nH]1
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 1 amide group, and 2 halo groups.",O=C(CO)N1CCCC(F)(F)C1
AddComponent,Add a benzene ring to the molecule CN(C)c1ccc(N=Nc2ccc(C(=O)NCCCn3cnc4c(OCc5ccc(C[NH3+])cc5)nc(N)nc43)cc2)cc1.,CN(C)c1ccc(N=Nc2ccc(C(=O)NCCCn3cnc4c(OCc5ccc(C[NH3+])cc5-c5ccccc5)nc(N)nc43)cc2)cc1
SubComponent,Please substitute a halo in the molecule CCOC(=O)C(C)(C)CCOC(=O)N1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CC1CC with a nitro.,CCOC(=O)C(C)(C)CCOC(=O)N1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)NO)c2)c2ncc(-c3cnn(C)c3)cn2)CC1CC
DelComponent,Please remove a benzene ring from the molecule Cc1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)N(C)C)c3C)CC2)ccc1NC(=O)c1cccc(Cl)c1.,Cc1c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)N(C)NC(=O)c3cccc(Cl)c3)CC2)cccc1C(=O)N(C)C
LogP,Please optimize the molecule Cc1ccc(C2=NN(c3ccccc3)C34CCCCC(=O)C23CCC4)cc1 to have a lower LogP value.,CC1=NN(c2ccccc2)C23CCCCC(=O)C12CCC3
MR,Modify the molecule Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3n(Cc3cnn(C)c3)c2=O)cn1 to increase its MR value.,Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3n(C(O)c3cnn(C)c3)c2=O)cn1
QED,Modify the molecule NNC(CCc1ccccn1)Cc1ccc(F)c(F)c1 to increase its QED value.,NC(CCc1ccccn1)Cc1ccc(F)c(F)c1
AtomNum,"There is a molecule composed of 14 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",COc1ncnc2c1nc(CCl)n2-c1cc(F)ccc1C
BondNum,"The molecule contains 7 single bonds, 3 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",O=C([O-])COc1ccc(NS(=O)(=O)c2cc[nH]c2)cc1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 2 amide groups, and 4 halo groups.",O=C1C2ON(c3ccc(Cl)cc3)C(C3(c4ccccc4)CC3(Cl)Cl)C2C(=O)N1c1ccc(Cl)cc1
AddComponent,Please add a nitrile to the molecule O=C(NCc1cc(S(=O)(=O)[O-])cc(O)c1O)c1cc(C(=O)NCc2cc(S(=O)(=O)[O-])cc(O)c2O)cc(C(=O)NCc2cc(S(=O)(=O)[O-])cc(O)c2O)c1.,N#CC(NC(=O)c1cc(C(=O)NCc2cc(S(=O)(=O)[O-])cc(O)c2O)cc(C(=O)NCc2cc(S(=O)(=O)[O-])cc(O)c2O)c1)c1cc(S(=O)(=O)[O-])cc(O)c1O
SubComponent,Please substitute a halo in the molecule Cc1ccc(-n2cnnn2)cc1NC(=O)c1cc(F)cc2nc(C)c(C)nc12 with a thiol.,Cc1ccc(-n2cnnn2)cc1NC(=O)c1cc(S)cc2nc(C)c(C)nc12
DelComponent,Remove a COc1c(N2CC3COCCC3([NH3+])C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3F)c12 from the molecule halo.,COc1c(N2CC3COCCC3([NH3+])C2)ccc2c(=O)c(C(=O)[O-])cn(C3CC3F)c12
LogP,Optimize the molecule Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)N1CC[NH+](C)CC1 to have a higher LogP value.,CC(C)n1cc(-c2nc(C)(C3CC[NH+](C)C3)-s2)c2cccnc21
MR,Modify the molecule CC(c1ccccc1)[NH+]1CCC(NC(=O)C2CC2c2cccnc2)CC1 to increase its MR value.,CC(c1cccc(C(=O)O)c1)[NH+]1CCC(NC(=O)C2CC2c2cccnc2)CC1
QED,Optimize the molecule Cc1ccccc1CN(C(=O)CCc1ccc2c(c1)OCCO2)C(C)C(=O)NC(C)C to have a higher QED value.,CCN(C(=O)CCc1ccc2c(c1)OCCO2)C(C)C(=O)NC(C)C
AtomNum,"The molecule is composed of 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 1 fluorine atom, and 1 bromine atom.",CCOC(=O)CCc1csc(-c2cc(F)cc(Br)c2)n1
BondNum,"There is a molecule composed of 7 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",NC(=[NH+]O)c1ccc(C(=O)NCc2nccs2)cc1
FunctionalGroup,"Please generate a molecule with 1 amine group, and 1 halo group.",Nc1nc(Cl)ccc1C(=O)[O-]
AddComponent,Modify the molecule CCCC(C)(CCOP(=O)([O-])[O-])OP(=O)([O-])OCC(CO)CC(C)NF by adding a benzene ring.,CC(CC(CO)COP(=O)([O-])OC(C)(CCOP(=O)([O-])[O-])CC(C)c1ccccc1)NF
SubComponent,Please substitute a CC1CN(C(=O)NC2CCC(=O)NC2C2CCCO2)CCN1CC(F)(F)F in the molecule halo with a thiol.,CC1CN(C(=O)NC2CCC(=O)NC2C2CCCO2)CCN1CC(F)(F)S
DelComponent,Remove a CC1C(=O)NCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 from the molecule benzene ring.,CC1C(=O)NCCN1S(=O)(=O)C(F)(F)F
LogP,Modify the molecule C[NH2+]CC1CCCCN1C(C)c1ccc(Cl)cc1 to have a lower LogP value.,C[NH2+]CC1CCCCN1C(C)c1ccc(Cl)cc1O
MR,Please modify the molecule Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1C to decrease its MR value.,Cc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)n1C
QED,Please optimize the molecule CC[NH+](CCNC(=O)c1cc2ccccc2cc1O)C(C)C to have a higher QED value.,CC[NH+](CCNC(=O)c1ccc2ccccc2c1)C(C)C
AtomNum,"Please generate a molecule with 10 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 chlorine atom.",Nc1nc(Cl)nc2c(C3CC(O)C(CO)O3)[nH]nc12
BondNum,"There is a molecule composed of 17 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",c1cc(N2CCCCC2)ccc1-c1noc(C2CC23CC[NH2+]C3)n1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",[NH3+]CC(CO)CCc1ccccc1Cl
AddComponent,Please add a aldehyde to the molecule CCCC(CC[NH3+])CNS(=O)(=O)C1CCOCC1.,CC(CC=O)CC(CC[NH3+])CNS(=O)(=O)C1CCOCC1
SubComponent,Modify the molecule halo by substituting a CC[NH2+]Cc1cccc(F)c1N1CCC([NH+](C)C)C1 with a thiol.,CC[NH2+]Cc1cccc(S)c1N1CCC([NH+](C)C)C1
DelComponent,Modify the molecule amide by removing a CCOc1ccc(C(CNC(=O)CSc2ccc(Cl)cc2)[NH+]2CCOCC2)cc1OC.,CCOc1ccc(C(CSc2ccc(Cl)cc2)[NH+]2CCOCC2)cc1OC
LogP,Please modify the molecule CCOc1cc(C=C2NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 to decrease its LogP value.,CCOc1cc(C=C2NC(=O)N(CC(=O)Nc3c(O)cccc3OC)C2=O)cc(Cl)c1OCc1ccc(Br)cc1
MR,Please optimize the molecule CCCC1CN(c2ncnn3cc(-c4cnn(CC5CN(C(=O)OC(C)(C)C)CCO5)c4)cc23)CCN1c1ncc(Sc2ccccc2F)cn1 to have a higher MR value.,CCCC1CN(c2ncnn3cc(-c4cnn(CC5CN(C(=O)OC(C)(C)C)CCO5)c4)cc23)CCN1c1ncc(Sc2ccccc2F)c(N)n1
QED,Optimize the molecule CCC(CSC)N(C)c1ncc(Br)cc1C to have a lower QED value.,CCC(CSC)N(C)c1ncc(S)cc1C
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CCOC(=O)c1nc2ccccc2n(CC[NH+]2CCOCC2)c1=O
BondNum,"The molecule has 9 single bonds, 1 double bond, 7 rotatable bonds, and 21 aromatic bonds.",CCCc1noc(CCC(=O)Nc2ccc(-c3cn4ccccc4[nH+]3)cc2)n1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 sulfone group.",CCCC[Sn](C=CC(CC=C(C)CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
AddComponent,Please add a benzene ring to the molecule CC(C)(C)OC(=O)N1CC(C(=O)[O-])C(c2cccnc2)C1.,CC(C)(Cc1ccccc1)OC(=O)N1CC(C(=O)[O-])C(c2cccnc2)C1
SubComponent,Substitute a hydroxyl in the molecule CN(CC1CCCC1O)C(=O)C1COc2ccccc21 with a aldehyde.,CC(=O)C1CCCC1CN(C)C(=O)C1COc2ccccc21
DelComponent,Remove a benzene ring from the molecule CCC(C)C(NC(=O)C(NC(C)=O)c1ccccc1)C(=O)NC1CC2c3[nH]c4ccccc4c3CC(C(=O)NC(C(=O)NC(CC(C)C)C(N)=O)C(C)C)N2C1=O.,CCC(C)C(NC(=O)CNC(C)=O)C(=O)NC1CC2c3[nH]c4ccccc4c3CC(C(=O)NC(C(=O)NC(CC(C)C)C(N)=O)C(C)C)N2C1=O
LogP,Modify the molecule C[NH+]1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3O)c3ccccc3n2)CC1 to have a lower LogP value.,C[NH+]1CCN(c2nc(C3=C(c4c[nH]c5ccc(N)cc45)C(=O)NC3O)c3ccccc3n2)CC1
MR,Please modify the molecule CNC(=O)c1ccc(CCC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5ccccn5)cc(C)nc34)c2Cl)cc1 to increase its MR value.,CNC(=O)c1ccc(CCC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5cccc(O)n5)cc(C)nc34)c2Cl)cc1
QED,Modify the molecule COc1ccc(C(=O)N2CCCC(NS(=O)(=O)c3ccc(C)c(C)c3)C2)cc1 to have a lower QED value.,COc1ccc(C(=O)N2CCCC(NS(=O)(=O)c3ccc(C)c(Cc4ccccc4)c3)C2)cc1
AtomNum,"The molecule consists of 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",Cc1cnc(NC(=O)CC(C)c2ccc(N)cc2)s1
BondNum,"Please generate a molecule with 11 single bonds, 3 rotatable bonds, and 16 aromatic bonds.",CCc1ncc2c(n1)C[NH+](Cc1nc3cc(Cl)ccc3n1C)CC2
FunctionalGroup,The molecule contains and 2 ester groups.,CCCCCCCCC(C)OC(=O)CCCC(=O)OCCCCC
AddComponent,Please add a hydroxyl to the molecule C[NH+]=C(NCCc1ccc(S(N)(=O)=O)cc1)NCc1nc(C(C)C)cs1.,C[NH+]=C(NCCc1ccc(S(N)(=O)=O)c(O)c1)NCc1nc(C(C)C)cs1
SubComponent,Modify the molecule halo by substituting a CC1CC(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)=CC=C1Br with a thiol.,CC1CC(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)=CC=C1S
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(CC(N)=O)cc3)cc2)c1.,CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1
LogP,Please optimize the molecule CCCN(c1ccc(C(CC)CC(=O)OC)cc1[N+](=O)[O-])C1CCS(O)(O)CC1 to have a lower LogP value.,CCC(CC(=O)OC)c1ccc(N(CC(C)C(=O)O)C2CCS(O)(O)CC2)c([N+](=O)[O-])c1
MR,Modify the molecule Cc1ccccc1C1=CS(=O)(=O)C=CCS1(=O)=O to have a lower MR value.,CC1=CS(=O)(=O)C=CCS1(=O)=O
QED,Modify the molecule C1=CC([NH+]2CCCC3(C2)OCCO3)CCC1 to have a lower QED value.,OC1CCC=CC1[NH+]1CCCC2(C1)OCCO2
AtomNum,"Please generate a molecule consisting 63 carbon atoms, 2 nitrogen atoms, and 2 silicon atoms.",CN1c2ccccc2[Si]2(CCCC2)c2ccc(C=Cc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(C=Cc5ccc6c(c5)N(C)c5ccccc5[Si]65CCCC5)ccc3-4)cc21
BondNum,"Please generate a molecule consisting 7 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",NC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",CNC(=O)c1cc(OC)cc(N)c1F
AddComponent,Modify the molecule Cc1cc(NC(=O)CNC(=O)Cc2cccc3ccccc23)ccc1Br by adding a hydroxyl.,Cc1cc(NC(=O)CNC(=O)Cc2ccc(O)c3ccccc23)ccc1Br
SubComponent,Modify the molecule halo by substituting a NC(=S)c1cc(Cl)ccc1NC1(C(F)(F)F)CC1 with a hydroxyl.,NC(=S)c1cc(O)ccc1NC1(C(F)(F)F)CC1
DelComponent,Remove a hydroxyl from the molecule CC(=O)NCC=C1CCOC2(C(O)C(C)(O)CO)NC(=O)C1(O)NC2=O.,CC(=O)NCC=C1CCOC2(CC(C)(O)CO)NC(=O)C1(O)NC2=O
LogP,Modify the molecule Cn1cnnc1C1CCCCN1C(=O)C[NH+]1CCC2(CCCCc3ccccc3OCCCNC2=O)CC1 to have a lower LogP value.,Cn1cnnc1C1CCCCN1C(=O)C[NH+]1CCC2(CCCCc3ccccc3OCCCNC2=O)C(O)C1
MR,Modify the molecule O=C(COc1cccc(F)c1)NNC(=O)COc1cccc(C(F)(F)F)c1 to have a higher MR value.,ONc1cccc(OCC(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)c1
QED,Please modify the molecule COc1cccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)c1 to increase its QED value.,CONc1nc(Nc2cc(C3CC3)[nH]n2)c2ccccc2n1
AtomNum,"The molecule is composed of 20 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",O=C(c1ccc(Br)o1)N1CCCC(c2ccnc(Nc3ccccc3F)n2)C1
BondNum,"The molecule is composed of 5 single bonds, 2 triple bonds, 3 rotatable bonds, and 42 aromatic bonds.",N#Cc1ccc(C#N)c(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc32)c1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ketone group, 2 ester groups, 1 amine group, and 3 halo groups.",COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c(N)n(Cc2ccccc2)c1=O
AddComponent,Add a hydroxyl to the molecule Nc1ncc(-c2nc(N3CCOCC3)c3cc(-c4cccc(C(F)CCNS(=O)[O-])c4F)cc(N4CCOCC4)c3n2)cn1.,Nc1ncc(-c2nc(N3CCOCC3)c3cc(-c4cccc(C(F)CC(O)NS(=O)[O-])c4F)cc(N4CCOCC4)c3n2)cn1
SubComponent,Substitute a halo in the molecule CCN(CC(C)(C)O)c1cccc(F)c1C(C)[NH2+]C with a nitro.,CCN(CC(C)(C)O)c1cccc(NO)c1C(C)[NH2+]C
DelComponent,Please remove a benzene ring from the molecule CN1C(=O)CC(=NNc2ccccc2)c2ccccc21.,CN1C(=O)CC(=NN)c2ccccc21
LogP,Optimize the molecule C[NH+](Cc1ccc(F)cc1)Cc1csc(C[NH2+]C2CC2)n1 to have a lower LogP value.,C[NH+](Cc1ccc(C#N)cc1)Cc1csc(C[NH2+]C2CC2)n1
MR,Optimize the molecule CC(OCCOC(C)Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1 to have a higher MR value.,CC(OCCOC(C)Oc1ccc2cccc(N)c2c1)Oc1ccc2ccccc2c1
QED,Please modify the molecule Cc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)Nc3ccccc3C(F)(F)F)c3ccccc23)c1 to decrease its QED value.,Cc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)Nc3ccccc3C(F)(F)S)c3ccccc23)c1
AtomNum,"There is a molecule composed of 24 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(=O)N1CC(C)(C)Oc2ccc(S(=O)(=O)Nc3ccc(N4CCC(C)CC4)cc3)cc21
BondNum,"There is a molecule consisting of 18 single bonds, 3 double bonds, 9 rotatable bonds, and 22 aromatic bonds.",CCCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C(C)C)cc4s3)C2c2ccccn2)cc1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 hydroxyl groups, and 1 ester group.",O=C(OCCOc1ccccc1)c1ccc(O)c(O)c1
AddComponent,Add a hydroxyl to the molecule O=C(NC1CCC(O)CC1)C1(c2cccc(Cl)c2)CC1.,O=C(NC1CCC(O)CC1)C1(c2ccc(O)c(Cl)c2)CC1
SubComponent,Please substitute a halo in the molecule COc1cccc(C(=O)n2c(=S)[nH]c3c(Cl)cc(Cl)cc3c2=O)c1 with a thiol.,COc1cccc(C(=O)n2c(=S)[nH]c3c(S)cc(Cl)cc3c2=O)c1
DelComponent,Remove a benzene ring from the molecule CCCO[SiH](Cc1ccccc1)OCCC.,CCCO[SiH](C)OCCC
LogP,Please optimize the molecule [O-]N1CCC(c2cc(F)cc(Cl)c2)C1 to have a lower LogP value.,N#Cc1cc(Cl)cc(C2CCN([O-])C2)c1
MR,Modify the molecule COC(=O)C(Cc1ccc(O)cc1)=NN to increase its MR value.,COC(=O)C(Cc1ccc(Br)cc1)=NN
QED,Optimize the molecule CCCc1c(CO)nnn1Cc1ccc(C(C)(C)C)cc1 to have a lower QED value.,CCCc1c(CO)nnn1Cc1ccc(C(C)(C)CO)cc1
AtomNum,"The molecule contains 17 carbon atoms, 5 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",CC1(c2cccc(NC(=S)Nc3ccc(Cl)cn3)c2)CCSC(N)=[NH+]1
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC1(C)OC2C(C[NH3+])OC(c3c[nH]c(=O)[nH]c3=O)C2O1
FunctionalGroup,"The molecule contains 3 benzene ring groups, 1 amide group, 1 halo group, 1 thioether group, 1 sulfide group, and 1 sulfone group.",CSc1cccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1
AddComponent,Modify the molecule Nc1ccc2c(c1)CCCC2NC(=O)C1C2C3CCC(C3)C12 by adding a benzene ring.,Nc1ccc2c(c1)CCCC2NC(=O)C1C2C3CC(c4ccccc4)C(C3)C12
SubComponent,Substitute a halo in the molecule CCNC(=O)c1c([Si](C)(C)C)ccc(Cl)c1F with a nitro.,CCNC(=O)c1c([Si](C)(C)C)ccc(NO)c1F
DelComponent,Remove a COc1ccc(C(=O)NC(C)c2ccc(Cl)cc2)c(N)c1 from the molecule amide.,COc1cc-c(N)(C(C)c2ccc(Cl)cc2)c1
LogP,Please optimize the molecule C#CCCC[NH2+]CC(O)c1cccc(F)c1 to have a lower LogP value.,C#CCCC[NH2+]CC(O)c1ccccc1
MR,Please modify the molecule Cc1nc(C[NH2+]C(C)c2ccc(Cl)cc2Cl)oc1C to decrease its MR value.,Cc1nc(C[NH2+]C(C)(Cl)Cl)oc1C
QED,Modify the molecule CCCC1CCn2c(c(C3CCCCC3F)c3ccc(C(=O)[O-])cc32)-c2ccc(Oc3nccs3)cc2N1 to have a lower QED value.,CCCC1CCn2c(c(C3CCCCC3F)c3ccc(C(=O)[O-])cc32)-c2ccc(Oc3nccs3)cc21
AtomNum,"The molecule is composed of 22 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",CCCOc1ccc(C2NC(=O)c3oc4ccc(Br)cc4c(=O)c32)cc1OCC
BondNum,"Please generate a molecule consisting 14 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCCNC(=O)C(=C(O)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 halo group.",CCOc1ccc(CC2CC[NH2+]CC2)cc1Cl
AddComponent,Modify the molecule Cc1ccc(C)c(C(=O)C(C)OCC2CC2)c1 by adding a benzene ring.,Cc1ccc(Cc2ccccc2)cc1C(=O)C(C)OCC1CC1
SubComponent,Please substitute a CCNc1nc(C2CC2)nc(-c2ccc(Cl)cc2Cl)c1C in the molecule halo with a nitrile.,CCNc1nc(C2CC2)nc(-c2ccc(C#N)cc2Cl)c1C
DelComponent,Please remove a CCC(C)C(=O)N1CCCC(C(=O)NCC(C(=O)[O-])c2ccccc2)C1 from the molecule benzene ring.,CCC(C)C(=O)N1CCCC(C(=O)NCCC(=O)[O-])C1
LogP,Please modify the molecule Clc1ccc(-n2nnnc2C=CNc2ccccc2)cc1 to decrease its LogP value.,Oc1ccc(-n2nnnc2C=CNc2ccccc2)cc1
MR,Modify the molecule CN(CCC(F)(F)F)C1CC(C(C)(C)C)CCC1C[NH3+] to have a lower MR value.,CN(CCC(F)F)C1CC(C(C)(C)C)CCC1C[NH3+]
QED,Optimize the molecule COC(=O)c1c(O)c(O)c2c(c1O)OCO2 to have a higher QED value.,COC(=O)c1c(O)c2c(c(O)c1I)OCO2
AtomNum,"There is a molecule consisting of 20 carbon atoms, 6 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",NC(=O)c1c(NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)sc2c1CCC2
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",CC1(c2cccnc2)[NH2+]CCNC1=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ketone group, 1 ester group, and 1 amine group.",COC(=O)C(=CNc1ccc(C(C)=O)cc1)C(=O)[O-]
AddComponent,Modify the molecule Cc1ccccc1C(C)NC(=O)NC1CCOC1C1CC1 by adding a hydroxyl.,Cc1ccccc1C(C)NC(=O)NC1CCOC1C1CC1O
SubComponent,Modify the molecule halo by substituting a COCCCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)SC1=S with a nitro.,COCCCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(NO)c(Cl)c3)c(OC)c2)SC1=S
DelComponent,Remove a COC1CCCC1NC(=O)c1cc(Br)c[nH]1 from the molecule halo.,COC1CCCC1NC(=O)c1ccc[nH]1
LogP,Please modify the molecule Cc1cnc2c(S(=O)(=O)Nc3cc(-c4nc(=O)[nH][nH]4)cc(C(F)(F)F)c3)cccc2c1 to decrease its LogP value.,Cc1cnc2c(S(=O)(=O)Nc3cc(-c4nc(=O)[nH][nH]4)cc(C(F)F)c3)cccc2c1
MR,Modify the molecule CCN(c1ccc(C#N)nc1)c1cccc(O)c1 to have a lower MR value.,CCN(c1cccnc1)c1cccc(O)c1
QED,Modify the molecule Oc1c(-c2ccccc2)ccc(-c2ccccc2)c1C=NC1CCCCC1 to have a higher QED value.,Oc1ccccc1-c1ccc(-c2ccccc2)c(O)c1C=NC1CCCCC1
AtomNum,"The molecule contains 18 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 3 sulfur atoms.",CSc1cccc(-n2c(SC)nc3sc4c(c3c2=O)CCCC4)c1
BondNum,"Please generate a molecule consisting 7 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(-c2noc(CNC(=O)c3ccc(I)cc3)n2)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 halo group.",Cc1cc(F)cc(C2CCCN2c2ccn3ncc(C(=O)[O-])c3c2C)c1
AddComponent,Modify the molecule CC1CC[NH2+]CC1CNS(=O)(=O)N1CCCC1 by adding a amine.,CC1CC[NH2+]CC1CNS(=O)(=O)N1CCC(N)C1
SubComponent,Please substitute a CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)N1CC(C)CC(C(=O)[O-])C1 in the molecule halo with a thiol.,CCCC(NC(=O)NCc1ccc(S)cc1)C(=O)N1CC(C)CC(C(=O)[O-])C1
DelComponent,Please remove a COc1ccc(NC(NC(=O)c2ccccc2)=[NH+]CCc2c(C)nn(C)c2C)cc1OC from the molecule amine.,COc1ccc(NC(CCc2c(C)nn(C)c2C)NC(=O)c2ccccc2)cc1OC
LogP,Please optimize the molecule C=CCC(CC)(NC(C)=O)C(=O)[O-] to have a higher LogP value.,C=CCC(CC)C(=O)[O-]
MR,Please modify the molecule CCOc1cc(C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)ccc1OC to increase its MR value.,CC(=O)c1cc(C=NNC(=O)c2ccc(OC)c(OCC)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
QED,Modify the molecule O=C(Nc1c(F)cccc1F)C1CC1C(=O)NC1CC1 to decrease its QED value.,CC(C(=O)Nc1c(F)cccc1F)C1CC1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1ccc(C(=O)NCCOc2cc(N3CCOCC3)ncn2)cc1
BondNum,"The molecule contains 10 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CC(C)[NH2+]CC1(Cc2cscn2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 sulfide group.",[NH3+]C1CC1C(=O)Nc1nc2c(s1)CCC2
AddComponent,Modify the molecule FC(F)(F)CCOB1OB(OCCC(F)(F)F)OB(OCCC(F)(F)F)O1 by adding a hydroxyl.,OC(CC(F)(F)F)OB1OB(OCCC(F)(F)F)OB(OCCC(F)(F)F)O1
SubComponent,Substitute a halo in the molecule COc1ccc(S(=O)(=O)C2CS(=O)(=O)CC2NCc2ccccc2Cl)cc1OC with a nitrile.,COc1ccc(S(=O)(=O)C2CS(=O)(=O)CC2NCc2ccccc2C#N)cc1OC
DelComponent,Please remove a CCOC(=O)c1nc(NC2CCCCC2)c2ccccc2n1 from the molecule amine.,CCOC(=O)c1nc(C2CCCCC2)c2ccccc2n1
LogP,Modify the molecule CC(C)C1[NH2+]C(c2ccsc2)N(CC(C)[NH+](C)C)C1=O to decrease its LogP value.,CC(C)C1[NH2+]C(c2ccsc2)N(C(C(=O)O)C(C)[NH+](C)C)C1=O
MR,Please optimize the molecule CCC(C)OP(=O)([O-])CC(N)=O to have a higher MR value.,CCC(C)OP(=O)([O-])C(C(N)=O)c1ccccc1
QED,Please optimize the molecule CN(C)c1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nn1 to have a higher QED value.,CN(C)c1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nn1
AtomNum,"The molecule consists of 23 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Nc1[nH]nc2nc(-c3ccc(O)cc3)nc(-c3ccc(Oc4ccccc4)cc3)c12
BondNum,"There is a molecule consisting of 16 single bonds, 4 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)CC2)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 2 halo groups.",O=C(c1ccc(Br)o1)N1CCCC1Cc1cccc(F)c1
AddComponent,Add a amine to the molecule CC(Nc1nc2c([N+](=O)[O-])cccc2o1)c1ncc[nH]1.,CC(Nc1nc2c([N+](=O)[O-])c(N)ccc2o1)c1ncc[nH]1
SubComponent,Substitute a halo in the molecule Cc1c(Br)cccc1C(=O)c1cnccc1C(F)(F)F with a aldehyde.,CC(=O)c1cccc(C(=O)c2cnccc2C(F)(F)F)c1C
DelComponent,Please remove a CCOC(=O)NC(CNC(=O)c1nc(-c2cccs2)oc1C)CC(C)C from the molecule amide.,CCOC(=O)NC(CC(C)C)Cc1(C)oc(-c2cccs2)n-1
LogP,Optimize the molecule NC(=O)c1cccc(CNC(=O)C2(C[NH3+])CCC2)c1 to have a lower LogP value.,NC(=O)CNC(=O)C1(C[NH3+])CCC1
MR,Modify the molecule COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc3c(F)cccc3n2C)cc1 to have a higher MR value.,COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc3c(F)cccc3n2C)cc1O
QED,Please modify the molecule N#Cc1c[nH]c(C(=O)NCC[NH+]2CCCCC2CO)c1 to decrease its QED value.,O=C(NCC[NH+]1CCCCC1CO)c1cc(S)c[nH]1
AtomNum,"There is a molecule with 11 carbon atoms, and 1 oxygen atom.",CC(=CC=O)c1ccccc1C
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",O=C(CCSCC(O)c1ccccc1)NC(=O)NCc1ccccc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amine group.",CCCCCCCC([NH3+])c1ccc(N)cc1
AddComponent,Please add a benzene ring to the molecule CC[NH+]1CCOC(C[NH+]2CCC(C[NH2+]C3CC3)C2)C1.,CC[NH+]1CCOC(C[NH+]2CCC(C[NH2+]C3CC3)C2c2ccccc2)C1
SubComponent,Substitute a O=C(C[NH2+]CC1CCCO1)NCC(F)(F)F in the molecule halo with a thiol.,O=C(C[NH2+]CC1CCCO1)NCC(F)(F)S
DelComponent,Remove a halo from the molecule Cc1ccc(OCc2cc(Br)cs2)c(C(C)(C)C)c1.,Cc1ccc(OCc2cccs2)c(C(C)(C)C)c1
LogP,Please modify the molecule COc1cccc2c(Nc3ccc(N4CCCCC4)cc3)cc(C)nc12 to decrease its LogP value.,COc1cccc2c(NN3CCCCC3)cc(C)nc12
MR,Please optimize the molecule CC(C)c1cccc([P+](=O)O)c1Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 to have a higher MR value.,CC(=O)[P+](=O)c1cccc(C(C)C)c1Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
QED,Modify the molecule CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(-c2ccccn2)cc1 to have a lower QED value.,CC(=O)C1=C(C(=O)C(C)(C)C)C(c2ccc(-c3ccccn3)cc2)N(c2ccc3nc[nH]c3c2)C1=O
AtomNum,"The molecule consists of 23 carbon atoms, 6 oxygen atoms, and 5 fluorine atoms.",CC1(COCCCCOc2ccc(C(=O)Oc3cc(F)c(OC(F)(F)F)c(F)c3)cc2)COC1
BondNum,"Please generate a molecule with 10 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",Cc1cc(Cl)ccc1Nc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-]
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ester group, and 1 sulfone group.",C=C(C)c1cc(S(C)(=O)=O)cc(C(=O)OC)c1C
AddComponent,Add a benzene ring to the molecule CC1CN(c2cc[nH+]c(C(=O)NC3(CO)CCCC3)c2)CC(C)O1.,CC1CN(c2cc[nH+]c(C(=O)NC3(CO)CCCC3)c2)C(c2ccccc2)C(C)O1
SubComponent,Please substitute a CCCn1c(O)c2ccccc2c1O in the molecule hydroxyl with a carboxyl.,CCCn1c(O)c2ccccc2c1C(=O)[OH]
DelComponent,Modify the molecule benzene ring by removing a O=c1c(=Cc2ccc(OCc3ccccc3)cc2)sc2nc(-c3ccco3)nn12.,COc1ccc(C=c2sc3nc(-c4ccco4)nn3c2=O)cc1
LogP,Modify the molecule COCCNc1nc(C[NH+]2CCCC(C(N)=O)C2)nc2ccc(Cl)cc12 to have a higher LogP value.,COCCc1nc(C[NH+]2CCCC(C(N)=O)C2)nc2ccc(Cl)cc12
MR,Modify the molecule O=S(=O)(c1cccnc1)N(C1CC1)C(F)(F)F to decrease its MR value.,O=S(=O)(c1cccnc1)N(C(F)F)C1CC1
QED,Optimize the molecule Cc1cccc(-c2nnc(CNc3cccc(Br)c3)o2)c1 to have a lower QED value.,Cc1cccc(-c2nnc(CNc3cccc(S)c3)o2)c1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCOC(F)F
BondNum,"There is a molecule with 37 single bonds, 9 double bonds, 25 rotatable bonds, and 20 aromatic bonds.",CCC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(=O)[O-])NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C([NH3+])CC(=O)[O-])C(=O)[O-]
FunctionalGroup,The molecule has and 1 amine group.,CC1Cc2ccccc2N1c1cccnc1N
AddComponent,Please add a carboxyl to the molecule COC(=O)c1ccc(N)cc1S(=O)(=O)N1CCC(C)C1.,COC(=O)c1cc(C(=O)O)c(N)cc1S(=O)(=O)N1CCC(C)C1
SubComponent,Substitute a Cc1ccsc1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1O in the molecule hydroxyl with a aldehyde.,CC(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)CCC1c1sccc1C
DelComponent,Remove a halo from the molecule CCOc1cc(OC2CC(C(=O)NC3(C(=O)OS(=O)(=O)OC4(C)CC4)CC3CC)N(C(=O)C(C)(NC(=O)OC(C)(C)C)C(C)C)C2)c2cccc(Cl)c2n1.,CCOc1cc(OC2CC(C(=O)NC3(C(=O)OS(=O)(=O)OC4(C)CC4)CC3CC)N(C(=O)C(C)(NC(=O)OC(C)(C)C)C(C)C)C2)c2ccccc2n1
LogP,Please optimize the molecule CN1CCN(C(C[NH3+])c2ccccc2C2CC2)CC1 to have a lower LogP value.,CN1CCN(C(C[NH3+])c2ccccc2C2CC2)C(N)C1
MR,Please optimize the molecule CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 to have a higher MR value.,CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1CC=O
QED,Please optimize the molecule CCc1cc2c3c(c1OC)OC1CC(O)C=CC31CC[NH+](C)C2 to have a lower QED value.,CCc1cc2c3c(c1OC)OC1CC(Cl)C=CC31CC[NH+](C)C2
AtomNum,"There is a molecule composed of 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 2 fluorine atoms, and 1 iodine atom.",O=C(Nc1cccc(I)c1)c1cccn1CC(F)F
BondNum,"The molecule contains 10 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",Nc1cc(Cl)cnc1NC1CCCCC1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, and 1 amine group.",Nc1nc2ccc3ccccc3c2c(=O)n1CO
AddComponent,Modify the molecule COc1c(Cl)cc(C2=C(O)C(=O)N(c3ccc(C)cc3)C2c2cccnc2)cc1Cl by adding a benzene ring.,COc1c(Cl)cc(C2=C(O)C(=O)N(c3ccc(C)c(-c4ccccc4)c3)C2c2cccnc2)cc1Cl
SubComponent,Please substitute a O=C(CSCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1F in the molecule halo with a hydroxyl.,O=C(CSCc1ccc(O)cc1)Nc1cc(Cl)ccc1F
DelComponent,Please remove a amide from the molecule CCC(C)[NH2+]CC(=O)NC1(C(=O)[O-])CCCC(C)C1.,CCC(C)[NH2+]C1(C(=O)[O-])CCCC(C)C1
LogP,Please optimize the molecule CCOc1ccc(-c2ccc(CC#N)cc2)cc1C(=O)NC(CO)Cc1c[nH]c2ccccc12 to have a lower LogP value.,CCOc1cc(C(=O)O)c(-c2ccc(CC#N)cc2)cc1C(=O)NC(CO)Cc1c[nH]c2ccccc12
MR,Please optimize the molecule COc1ccc([Si](C)(C)C2C(CCO)OC3(C(=O)N(Cc4ccc(NC(=O)C5OC(O)C(O)C(O)C5O)cc4)c4ccccc43)C2C)cc1 to have a lower MR value.,COc1ccc([Si](C)(C)C2C(CCO)OC3(C(=O)N(Cc4ccc(NC(=O)C5OCC(O)C(O)C5O)cc4)c4ccccc43)C2C)cc1
QED,Modify the molecule COc1ccc(NCS)c(C)n1 to have a higher QED value.,Cc1nc(OCc2ccccc2)ccc1NCS
AtomNum,"There is a molecule consisting of 13 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC[NH2+]C(C)(CCCCOCCCOC)C(=O)[O-]
BondNum,"There is a molecule composed of 15 single bonds, 10 rotatable bonds, and 6 aromatic bonds.",CCOC(C)(C)C[NH2+]CC(O)COc1cccc(CC)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 1 sulfide group.",Cc1ccc(-c2nc(C(=O)N3CC(C)OC4(CCCOC4)C3)cs2)c(C)c1
AddComponent,Add a benzene ring to the molecule CC[NH2+]Cc1coc(NC(C)C)n1.,CC[NH2+]Cc1coc(NC(C)(C)c2ccccc2)n1
SubComponent,Modify the molecule hydroxyl by substituting a COCCOCC(CSCCO)SCCO with a carboxyl.,COCCOCC(CSCCC(=O)[OH])SCCO
DelComponent,Modify the molecule C[NH+](C)CCCc1c[nH]c2ccc(O)cc12 by removing a hydroxyl.,C[NH+](C)CCCc1c[nH]c2ccccc12
LogP,Modify the molecule CCC(C)CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C to increase its LogP value.,CCC(C)CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC(CCCC(C)C)c1ccccc1)OC(=O)CCCCCCCCCCC(C)C
MR,Modify the molecule COc1cc(F)ccc1-c1ccc(=O)n(C[NH+]2CCN(S(=O)(=O)N(C)C)CC2)n1 to have a higher MR value.,COc1cc(O)ccc1-c1ccc(=O)n(C[NH+]2CCN(S(=O)(=O)N(C)C)CC2)n1
QED,Please modify the molecule Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(C(N)=O)cc1 to decrease its QED value.,Cc1c(O)c2ccccc2n1CC(=O)Nc1ccc(C(N)=O)cc1
AtomNum,"There is a molecule with 17 carbon atoms, 6 oxygen atoms, and 2 nitrogen atoms.",CCOC(=O)C[NH+](CCCCC#N)C(CC(=O)[O-])C(=O)OC(C)CC
BondNum,"Please generate a molecule consisting 9 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1ccc(Br)cc1C(C)CC(C)[NH3+]
FunctionalGroup,The molecule is composed of and 1 amide group.,O=C(NN=Cc1c2ccccc2cc2ccccc12)c1cc2ccccc2[nH]1
AddComponent,Modify the molecule O=C(CCc1nc(-c2ccccn2)no1)NCC1CCC[NH2+]1 by adding a benzene ring.,O=C(CCc1nc(-c2ccccn2)no1)NC(c1ccccc1)C1CCC[NH2+]1
SubComponent,Modify the molecule halo by substituting a CC1(C)C[NH2+]CCN1c1ccccc1S(=O)(=O)C(F)F with a thiol.,CC1(C)C[NH2+]CCN1c1ccccc1S(=O)(=O)C(F)S
DelComponent,Please remove a benzene ring from the molecule C=CCNC(=O)C(=Cc1cccnc1)NC(=O)c1ccccc1.,C=CCNC(=O)C(=Cc1cccnc1)NC=O
LogP,Optimize the molecule C[Si](C)(c1ccccc1F)c1ccccc1F to have a lower LogP value.,C[Si](C)(F)c1ccccc1F
MR,Optimize the molecule Cc1cc(C(CCc2[nH+]ccn2C)NN)ccc1Cl to have a lower MR value.,Cc1cc(C(CCc2[nH+]ccn2C)NN)ccc1O
QED,Modify the molecule [NH3+]CCCc1coc2cc(C(F)(F)F)ccc12 to decrease its QED value.,[NH3+]CCCc1coc2cc(C(F)(F)S)ccc12
AtomNum,"There is a molecule composed of 7 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 chlorine atoms.",O=C([O-])N1Cc2nc(Cl)nc(Cl)c2C1
BondNum,"The molecule consists of 14 single bonds, 2 double bonds, and 5 rotatable bonds.",CC(=CC(=O)[O-])C[NH2+]CC1C[NH+](C)CCO1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, and 1 sulfone group.",CCN(C(=S)NCc1cccc(OC)c1)C1CCS(=O)(=O)C1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(OCc2nnc(-c3ccc(C)c(Br)c3)o2)c(Br)c1.,Cc1ccc(-c2nnc(COc3ccc(C)c(-c4ccccc4)c3Br)o2)cc1Br
SubComponent,Please substitute a COC(=O)CCCC(=O)c1ccc(C(F)(F)F)cc1 in the molecule halo with a carboxyl.,COC(=O)CCCC(=O)c1ccc(C(F)(F)C(=O)[OH])cc1
DelComponent,Please remove a benzene ring from the molecule Cc1cc(C)c(C)c(OCc2csc(C(=O)Nc3ncn(Cc4cccc(Cl)c4)n3)c2)c1.,Cc1cc(C)c(C)c(OCc2csc(C(=O)Nc3ncn(CCl)n3)c2)c1
LogP,Modify the molecule CCCC(CC(=O)[O-])NC(=O)N1CCC(C(C)C)CC1 to decrease its LogP value.,CCCC(CC(=O)[O-])NC(=O)N1CCC(CC=O)(C(C)C)CC1
MR,Optimize the molecule CC1(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CCCOC1 to have a lower MR value.,CC1C(C2CCOC2)C1S(=O)(=O)N1CCc2ccccc21
QED,Modify the molecule CC(C)(C)c1ccc(OCCC2CCCC2O)cc1 to have a lower QED value.,CC(C)(CC(=O)O)c1ccc(OCCC2CCCC2O)cc1
AtomNum,"The molecule contains 19 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(S(=O)(=O)N2CCc3[nH]c4ccccc4c3C2)cc1C
BondNum,"Please generate a molecule consisting 27 single bonds, 2 double bonds, and 17 rotatable bonds.",CCCCCCCCOC1C=C(C[NH+](CCCC)CCCC)C(=O)C(C(C)C)O1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 2 amine groups.",Cc1ncc2c(c1CNC(=O)C1CC(c3ccc(O)cc3)NN1)CC[NH2+]C2
AddComponent,Please add a amine to the molecule CCOC(=O)c1ccn(-c2ccc(NC(=O)NCCc3ccccc3)cc2)n1.,CCOC(=O)c1ccn(-c2ccc(NC(=O)NCCc3ccccc3N)cc2)n1
SubComponent,Substitute a halo in the molecule Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)c1C with a nitrile.,Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)C(=O)Nc2ccc(C#N)cc2)c1C
DelComponent,Remove a amine from the molecule CCNC(=[NH+]Cc1coc(-c2ccc(C)cc2)n1)N1CCC(c2ncn[nH]2)CC1.,CCNC(Cc1coc(-c2ccc(C)cc2)n1)N1CCC(c2ncn[nH]2)CC1
LogP,Modify the molecule CC(C)c1noc(NCC(c2ccccc2)C(C)(C)CO)n1 to have a higher LogP value.,CC(C)c1noc(NCC(c2ccccc2)C(C)(C)CC#N)n1
MR,Optimize the molecule O=C(CCC1C[NH+](Cc2ccc(Cl)cc2)CCC1[NH+]1CCOCC1)Nc1ccc(F)cc1 to have a higher MR value.,O=C(CCC1C[NH+](Cc2ccc(Cl)cc2)CCC1[NH+]1CCOCC1)Nc1ccc(F)cc1-c1ccccc1
QED,Please optimize the molecule O=c1nc(-c2ncccc2Cl)[nH]o1 to have a lower QED value.,O=c1nc(-c2ncc(O)cc2Cl)[nH]o1
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2c3ccccc3nc3ccccc23)CC1
BondNum,"There is a molecule with 10 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",COCCCNC(=O)c1cc(Br)ccc1OC
FunctionalGroup,"The molecule has 1 ester group, and 1 amide group.",CCOC(=O)CNC(=O)N1CCC2NC(=O)CCC2C1
AddComponent,Modify the molecule CC[NH2+]C(Cc1cncc(Br)c1)c1ccccc1OC by adding a carboxyl.,CC[NH2+]C(Cc1cncc(Br)c1)c1cc(C(=O)O)ccc1OC
SubComponent,Please substitute a C[Sn](C)(C)c1ccc(C(F)(F)F)cn1 in the molecule halo with a carboxyl.,C[Sn](C)(C)c1ccc(C(F)(F)C(=O)[OH])cn1
DelComponent,Remove a hydroxyl from the molecule O=C(NC1c2ccccc2CC1O)c1nn(CC2CCOCC2)c2ncccc12.,O=C(NC1CCc2ccccc21)c1nn(CC2CCOCC2)c2ncccc12
LogP,Modify the molecule CC(C)(NC(=O)CC([NH3+])c1ccccc1)c1cn(-c2ccccc2)nn1 to have a higher LogP value.,CC(C)(c1cn(-c2ccccc2)nn1)C([NH3+])c1ccccc1
MR,Please modify the molecule CC([NH3+])C=Cc1cc(Br)c2c(c1)OCCO2 to increase its MR value.,CC([NH3+])C(S)=Cc1cc(Br)c2c(c1)OCCO2
QED,Please modify the molecule CC[NH2+]Cc1cc(C)ccc1OCC1CCC(C)O1 to decrease its QED value.,CC[NH2+]C(C)OCC1CCC(C)O1
AtomNum,"The molecule consists of 15 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",C#CCNS(=O)(=O)c1ccc(C(=O)NCCOCCOC)cc1
BondNum,"The molecule contains 17 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",C[NH+]=C(NCc1ccc(C[NH+](C)C)cc1)NC1CCN(c2ncccc2Cl)C1
FunctionalGroup,"There is a molecule consisting of 1 amide group, 1 amine group, 1 nitro group, and 1 halo group.",NNC(=O)c1coc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1
AddComponent,Please add a hydroxyl to the molecule [NH3+]Cc1nc(C(=O)Nc2ccc(NCC3CCCO3)c(F)c2)cs1.,[NH3+]Cc1nc(C(=O)Nc2cc(F)c(NCC3CCCO3)cc2O)cs1
SubComponent,Please substitute a halo in the molecule CC1(CNC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)COC1 with a thiol.,CC1(CNC(=O)NCc2cc(S)c3c(c2)OCCCO3)COC1
DelComponent,Modify the molecule amine by removing a CN(C)C(=O)C1(N(CCOC2CCCCO2)S(=O)(=O)c2ccc3c(N(Cl)C(=N)N)cncc3c2)CCCC1.,CN(C)C(=O)C1(N(CCOC2CCCCO2)S(=O)(=O)c2ccc3c(N(Cl)C=N)cncc3c2)CCCC1
LogP,Modify the molecule COC1(C(=O)NCC(C)c2ccc(C)cc2)CC[NH2+]CC1 to decrease its LogP value.,COC1(C(=O)NCC(C)c2ccc(C)cc2O)CC[NH2+]CC1
MR,Optimize the molecule CC(C)(C)C(=O)N1CCCC(C(=O)N2CCCCC2CNC(=O)CC[NH3+])C1 to have a lower MR value.,CCCC1CCC(C(=O)N2CCCCC2CNC(=O)CC[NH3+])C1
QED,Modify the molecule CCCCCCCCCCCCCOc1cccc(CC(COP(O)OCCC[NH2+]C)OC(=O)CC)c1 to have a lower QED value.,CCCCCCCCCCCCCOc1cccc(CC(COP(NO)OCCC[NH2+]C)OC(=O)CC)c1
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",CC1(COc2ccc(C(C[NH3+])C(=O)[O-])cc2Br)COC1
BondNum,"The molecule has 13 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CSc1ccc(C(=O)NCC(=O)N(C)CCc2ccccc2)cc1[N+](=O)[O-]
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, and 1 ester group.",COC(=O)C(O)c1ccc(OC)c(OC2CCOCC2)c1
AddComponent,Modify the molecule C=C(C(=O)[O-])C(OCC)(OCC)C1CC(C)(C)[NH2+]C(C)(C)C1 by adding a benzene ring.,C=C(C(=O)[O-])C(OCC)(OCC)C1CC(C)(C)[NH2+]C(C)(Cc2ccccc2)C1
SubComponent,Please substitute a Fc1cc(Br)ccc1CNc1ccc(OC(F)F)c(F)c1 in the molecule halo with a hydroxyl.,Oc1cc(Br)ccc1CNc1ccc(OC(F)F)c(F)c1
DelComponent,Remove a amide from the molecule O=C(CC1CC2CCC1C2)Nc1ccn(Cc2ccccc2Cl)n1.,Clc1ccccc1Cn1ccc(C2CC3CCC2C3)n1
LogP,Please modify the molecule ClCCN(c1ncnc2ccccc12)C1CC1 to decrease its LogP value.,N#CCCN(c1ncnc2ccccc12)C1CC1
MR,Modify the molecule COC(=O)c1c(NC(=O)CC(=O)[O-])sc2c1CCC2 to have a higher MR value.,COC(=O)c1c(NC(=O)CC(=O)[O-])sc2c1C(c1ccccc1)CC2
QED,Please optimize the molecule CC[NH2+]C(CC)COc1ccccc1F to have a lower QED value.,CC[NH2+]C(CC)COc1ccccc1NO
AtomNum,"Please generate a molecule with 18 carbon atoms, 1 oxygen atom, and 2 sulfur atoms.",S=C1OC(c2ccccc2)(c2ccccc2)c2ccsc21
BondNum,"Please generate a molecule consisting 11 single bonds, 3 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)C3CCS(=O)(=O)C3)c12
FunctionalGroup,There is a molecule consisting of and 1 amide group.,Cc1nc2n(n1)CC(NC(=O)C1(C)CC3CCC1O3)CC2
AddComponent,Modify the molecule CC(C)c1nnc2n1CC(NC(=O)N1CCOCC1C1CCCO1)CC2 by adding a carboxyl.,CC(C)c1nnc2n1CC(NC(=O)N1CCOCC1C1CCCO1)C(C(=O)O)C2
SubComponent,Modify the molecule halo by substituting a NC(=O)Cn1cc(NS(=O)(=O)c2cnc(Cl)nc2)cn1 with a thiol.,NC(=O)Cn1cc(NS(=O)(=O)c2cnc(S)nc2)cn1
DelComponent,Please remove a amine from the molecule CC[NH+](CC)C1=CC(C)C(N)([NH3+])C=C1.,CC[NH+](CC)C1=CC(C)C([NH3+])C=C1
LogP,Modify the molecule C=CC[n+]1c2n(c3ccc(F)c(F)c31)CCCCC2 to have a lower LogP value.,C=CC[n+]1c2n(c3ccc(NO)c(F)c31)CCCCC2
MR,Modify the molecule CCn1nc(C)cc1C(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 to have a higher MR value.,CCn1nc(C)cc1C(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)C#N)c1
QED,Please modify the molecule CCc1ccc2c(c1)S(=O)(=O)NC(=NC(CC)CO)N2 to increase its QED value.,CCc1ccc2c(c1)S(=O)(=O)NC(=NC(CC)CC#N)N2
AtomNum,"The molecule contains 34 carbon atoms, 12 oxygen atoms, and 6 nitrogen atoms.",CC(=O)NC1C(OCCCCC(=O)ON2C(=O)CCC2=O)OC(Cn2cc(COc3cccc4ccc(C)nc34)nn2)C(OC(C)=O)C1OC(C)=O
BondNum,"The molecule is composed of 15 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",O=C(CCCNC(=O)C1CNNC1c1ccccc1)Nc1ccc(Cl)cc1
FunctionalGroup,"The molecule contains 2 amine groups, and 1 sulfide group.",CCn1c(Sc2nc(NN)nc(OC(C)C)n2)n[nH]c1=O
AddComponent,Please add a nitrile to the molecule CNC(=O)COCC1C[NH+](C2CCCC2)CC1c1ccccn1.,CNC(=O)COCC1C[NH+](C2CCCC2)CC1c1ncccc1C#N
SubComponent,Substitute a N#CC(=Cc1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1 in the molecule nitrile with a halo.,O=C(Nc1ccc(I)cc1)C(Br)=Cc1cc(Br)ccc1OCc1cccc2ccccc12
DelComponent,Modify the molecule benzene ring by removing a CCCOC(=O)CC(C)(CCC[NH+]1CCC(NC(=O)c2ccccc2-c2ccc(OC)cc2)CC1)c1ccccc1.,CCCOC(=O)CC(C)(CCC[NH+]1CCC(NC(=O)c2ccc(OC)cc2)CC1)c1ccccc1
LogP,Optimize the molecule [NH3+]C1CCCN2c3c(Br)cccc3CC12 to have a lower LogP value.,[NH3+]C1CCCN2c3ccccc3CC12
MR,Please optimize the molecule CCOc1ccc(C(NN)c2cc3ccccc3s2)cc1 to have a higher MR value.,NNC(c1ccc(OCCO)cc1)c1cc2ccccc2s1
QED,Optimize the molecule O=C(C=Cc1ccc(C[NH2+]CCc2cccc3occc23)c(F)c1)NO to have a higher QED value.,NC(=O)C=Cc1ccc(C[NH2+]CCc2cccc3occc23)c(F)c1
AtomNum,"Please generate a molecule with 16 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 fluorine atoms.",O=C(c1cccc(F)c1F)c1ccnc2ccccc12
BondNum,"The molecule has 8 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(CCC(=O)Nc2n[nH]c(C)c2N)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 2 amide groups, and 3 halo groups.",O=C(CC(=O)Nc1c(Cl)cccc1Cl)NCc1ccc(F)cc1
AddComponent,Add a benzene ring to the molecule CCN(CC(C)C(=O)[O-])C(=O)C(C)Oc1cccc(Cl)c1.,CCN(CC(C)C(=O)[O-])C(=O)C(C)Oc1cc(Cl)cc(-c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a CC1CC(C)C[NH+](CC(C)NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 with a nitro.,CC1CC(C)C[NH+](CC(C)NC(=O)CCNC(=O)c2ccc(NO)cc2)C1
DelComponent,Modify the molecule CC(Br)N1C(=O)CCC1=O by removing a halo.,CCN1C(=O)CCC1=O
LogP,Modify the molecule CCc1c(-c2cc(Nc3cc(C)n(CC)n3)c(=O)n(C)c2)ccnc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O to decrease its LogP value.,CCc1c(-c2cc(Nc3cc(C)n(CC)n3)c(=O)n(C)c2)cc(C(=O)O)nc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O
MR,Please optimize the molecule Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c(C)c1 to have a higher MR value.,Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)c1
QED,Please optimize the molecule CCOC(=O)N1CCN(c2ccc(C)cc2Cl)C(c2ccc(C)cc2)C1CN=[N+]=[N-] to have a lower QED value.,CCOC(=O)N1CCN(c2c(Cl)cc(C)cc2-c2ccccc2)C(c2ccc(C)cc2)C1CN=[N+]=[N-]
AtomNum,"The molecule has 25 carbon atoms, 3 oxygen atoms, and 2 fluorine atoms.",CC(CCCc1ccc2c(c1)CCC1=C2CCC2(C)C(=O)CC(=C(F)F)C12)C(=O)[O-]
BondNum,"The molecule contains 12 single bonds, 1 triple bond, 2 rotatable bonds, and 11 aromatic bonds.",N#Cc1cc2ccccc2nc1NC1C([NH3+])C2CCOC21
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 ketone group, 1 amide group, and 1 sulfone group.",O=C(c1nc2ccccc2o1)C(CCNC(=O)C(CNC(=O)N1CCOCC1)S(=O)(=O)Cc1ccccc1)c1ccccc1
AddComponent,Modify the molecule CCCCCCCCOc1cc2c(cc1OCCCCCCCC)-c1nc-2nc2nc(nc3nc([nH]c4[nH]c(n1)c1cc(OCCCCCCCC)c(OCCCCCCCC)cc41)-c1cc(OCCCCCCCC)c(OCCCCCCCC)cc1-3)-c1c(CCCCCCCC)c3c(c(CCCCCCCC)c1-2)SC1(SC(SC)=C(SC)S1)S3 by adding a hydroxyl.,CCCCCCCCOc1cc2c(cc1OCCCCCCCC)-c1nc-2nc2nc(nc3nc([nH]c4[nH]c(n1)c1cc(OCCCCCCCC)c(OCCCCCCCC)cc41)-c1cc(OCCCCCCCC)c(OCCCCCCCC)cc1-3)-c1c(CCCCCCCC)c3c(c(C(O)CCCCCCC)c1-2)SC1(SC(SC)=C(SC)S1)S3
SubComponent,Modify the molecule halo by substituting a COC(=O)COc1c(I)cc(C=C2N=C(c3ccc4ccccc4c3)OC2=O)cc1I with a nitro.,COC(=O)COc1c(I)cc(C=C2N=C(c3ccc4ccccc4c3)OC2=O)cc1NO
DelComponent,Modify the molecule CC(c1cc(Br)ccc1O)[NH+](C)C1CCC(C)(C)CC1 by removing a halo.,CC(c1ccccc1O)[NH+](C)C1CCC(C)(C)CC1
LogP,Please modify the molecule CC(Cc1ccc(F)c(Cl)c1)(C(=O)[O-])c1ccccc1 to decrease its LogP value.,CC(C(=O)[O-])(c1ccccc1)C(F)Cl
MR,Modify the molecule Cc1cccc(C)c1Nc1c(-c2ccccc2O)nc2cnc(Br)cn12 to decrease its MR value.,Cc1cccc(C)c1-c1c(-c2ccccc2O)nc2cnc(Br)cn12
QED,Modify the molecule COc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCC(C)C4)cc1 to have a lower QED value.,COc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCC(Cc2ccccc2)C4)cc1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",CCCc1nc2ccc(C)cn2c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
BondNum,"The molecule consists of 21 single bonds, 7 double bonds, 11 rotatable bonds, and 5 aromatic bonds.",O=C(CCCCC1C=CC2=CCC[NH+]=C2N1)NCC(NS(=O)(=O)c1cccs1)C(=O)[O-]
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",OC1C[NH+](C2CCOCC2)CC1Oc1cccc(F)c1
AddComponent,Add a benzene ring to the molecule CCNc1nc(OC)c(C(=O)N(C)CC[NH+](CC)CC)nc1Cl.,CCNc1nc(OC)c(C(=O)N(C)CC[NH+](CC)CCc2ccccc2)nc1Cl
SubComponent,Substitute a halo in the molecule CCOCCn1c(=NC(=O)C=Cc2ccccc2)sc2cc(Cl)cc(Cl)c21 with a hydroxyl.,CCOCCn1c(=NC(=O)C=Cc2ccccc2)sc2cc(O)cc(Cl)c21
DelComponent,Modify the molecule benzene ring by removing a Cc1cc(C(C)(C)C)ccc1OC(=O)c1cccc(S(C)(=O)=O)c1.,Cc1cc(C(C)(C)C)ccc1OC(=O)S(C)(=O)=O
LogP,Modify the molecule CC(C)(C)C1CCCN(c2nnccc2C(N)=[NH+]O)CC1 to have a higher LogP value.,CC(C)(C)C1CCCN(c2nnccc2C(N)=[NH+]C#N)CC1
MR,Optimize the molecule O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccnn1Cc1ccccc1Br to have a lower MR value.,ONc1ccccc1Cn1nccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O
QED,Please modify the molecule CCc1ccc(C(O)c2ccc(SC)cc2)s1 to decrease its QED value.,CCc1ccc(C(NO)c2ccc(SC)cc2)s1
AtomNum,"The molecule consists of 18 carbon atoms, 2 nitrogen atoms, and 1 bromine atom.",CN(Cc1ccc(Br)cc1)c1ccc(C[NH2+]C2CC2)cc1
BondNum,"Please generate a molecule composed of 36 single bonds, 6 double bonds, and 16 rotatable bonds.",O=C(CCCCCNC(=O)N1CCCCCC1=O)OCCCOC(=O)CCCCCNC(=O)N1CCCCCC1=O
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amine groups, and 1 nitrile group.",Cc1nc(Nc2ccc(C#N)cc2)cc(Nc2cc(C)on2)n1
AddComponent,Add a hydroxyl to the molecule COc1cc(C=Nn2c(CCc3ccccc3)nnc2SCc2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1[O-].,COc1cc(C(O)=Nn2c(CCc3ccccc3)nnc2SCc2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1[O-]
SubComponent,Substitute a Clc1ccc(COc2ccccc2C[NH2+]CCOc2ccccn2)cc1Cl in the molecule halo with a nitrile.,N#Cc1ccc(COc2ccccc2C[NH2+]CCOc2ccccn2)cc1Cl
DelComponent,Modify the molecule Cn1ncc2c(C(=O)c3cccc(F)c3)ncnc21 by removing a benzene ring.,Cn1ncc2c(C(=O)F)ncnc21
LogP,Optimize the molecule C#Cc1ccc(C(C(=O)NC(C)(C)C)N(CC=C)C(=O)C(NC(=O)OC(C)(C)C)C(C)CC)cc1 to have a higher LogP value.,C#Cc1ccc(C(CC=C)(C(=O)NC(C)(C)C)N(C(=O)OC(C)(C)C)C(C)CC)cc1
MR,Please modify the molecule [NH3+]C(CNC(=O)C(Cc1ccccc1)NC(=O)c1cccs1)C1CC1 to decrease its MR value.,CC(NC(=O)c1cccs1)C(=O)NCC([NH3+])C1CC1
QED,Modify the molecule CCC(C)C(NC(=O)C1CCCC[NH+]1C)C(=O)N(Cc1ccccc1)C(CC(OCOC)c1nc(C(=O)NC(Cc2ccc(O)cc2)CC(C)C(=O)[O-])cs1)C(C)C to decrease its QED value.,CCC(C)C(NC(=O)C1CCCC[NH+]1C)C(=O)N(Cc1ccccc1)C(CC(OCOC)c1nc(C(=O)NC(Cc2ccc(NO)cc2)CC(C)C(=O)[O-])cs1)C(C)C
AtomNum,"The molecule consists of 19 carbon atoms, 4 oxygen atoms, 10 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",[N-]=[N+]=NS(=O)(=O)c1ccc(N=Nc2cc(Nc3nc(Cl)nc(N4CCOCC4)n3)ccc2O)cc1
BondNum,"The molecule is composed of 10 single bonds, 3 double bonds, 3 rotatable bonds, and 10 aromatic bonds.",CS(=O)(=O)c1ccc2nc(C3CCC(C(=O)[O-])O3)[nH]c2c1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 1 halo group.",COc1cccc(CCNC(=O)Nc2cc(OC)c(Cl)cc2OC)c1
AddComponent,Please add a hydroxyl to the molecule [NH3+]C1CCCC(Oc2ccc([N+](=O)[O-])c3ncccc23)C1.,[NH3+]C1CC(O)CC(Oc2ccc([N+](=O)[O-])c3ncccc23)C1
SubComponent,Substitute a CC(C)Oc1c(F)ccc2ccccc12 in the molecule halo with a nitrile.,CC(C)Oc1c(C#N)ccc2ccccc12
DelComponent,Modify the molecule CCCCCOC(=O)C(C=Nc1ccc(OCC)cc1)C(=O)OCC by removing a benzene ring.,CCCCCOC(=O)C(C=NOCC)C(=O)OCC
LogP,Modify the molecule CC(O)C([NH3+])c1nc(C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)co1 to increase its LogP value.,CC(O)C([NH3+])c1nc(C(=O)NCc2c[nH]c3ccccc23)co1
MR,Please optimize the molecule CC1CN(CCC(C)(C)C)CC(C)[NH2+]1 to have a higher MR value.,CC1CN(CCC(C)(C)C)C(N)C(C)[NH2+]1
QED,Please modify the molecule CSCC(C)N(C)c1ccc(N)cc1C(F)(F)F to decrease its QED value.,CSCC(C)N(C)c1ccc(N)cc1C(F)F
AtomNum,"There is a molecule with 18 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC(C)(C)c1ccc(C(=O)Nc2noc3ccc(F)cc23)cc1
BondNum,"Please generate a molecule composed of 9 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",COc1cc(C)c(Br)cc1C(Cl)c1cccc(F)c1Cl
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",CCCn1c(=O)n(CC(=O)N2CCC(c3ccccc3)CC2)c2ccccc21
AddComponent,Modify the molecule C[NH+](C)CCN(CC(=O)[O-])S(=O)(=O)c1c(Cl)cccc1Cl by adding a benzene ring.,C[NH+](C)CCN(CC(=O)[O-])S(=O)(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl
SubComponent,Substitute a hydroxyl in the molecule CCc1cc2c(NCCC(O)COC)nc(N)nc2s1 with a aldehyde.,CC(=O)C(CCNc1nc(N)nc2sc(CC)cc12)COC
DelComponent,Remove a amide from the molecule C=C(C)CNC(=O)CC1CCC1.,C=C(C)CC1CCC1
LogP,Optimize the molecule CCCOc1ccccc1OCC(=O)Nc1ccc(Cl)cc1F to have a higher LogP value.,CCCOc1ccccc1Oc1ccc(Cl)cc1F
MR,Please modify the molecule O=C(NCC1CCC2[NH2+]C(C(=O)[O-])CC2C1)C1CCCCC1 to decrease its MR value.,O=C([O-])C1CC2CC(C3CCCCC3)CCC2[NH2+]1
QED,Modify the molecule O=CCc1cc(Cl)cc2ncsc12 to decrease its QED value.,Clc1ccc2scnc2c1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",C=CCOCC(O)C[NH+](CCCOC)Cc1ccco1
BondNum,"The molecule is composed of 23 single bonds, 2 double bonds, and 4 rotatable bonds.",CC(C(=O)NC(=O)NC1CC1)[NH+]1CCCC1C1COCCC1O
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ketone group, and 2 amide groups.",CC(=NCC(=O)CCCCCNC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1)c1ccc(OCCCC(=O)ON2C(=O)CCC2=O)cc1
AddComponent,Add a hydroxyl to the molecule C=C1SC(=S)N(c2ccc3cc(-c4ccc(OC)c(C(C)(C)C)c4)ccc3c2)C1=O.,C=C1SC(=S)N(c2ccc3cc(-c4ccc(OC)c(C(C)(C)CO)c4)ccc3c2)C1=O
SubComponent,Modify the molecule halo by substituting a O=C(Nc1cc(Br)ccc1CBr)C(F)(F)F with a nitrile.,N#Cc1ccc(CBr)c(NC(=O)C(F)(F)F)c1
DelComponent,Modify the molecule amide by removing a O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)c2ccccc2)cc1.,O=C(c1ccccc1)c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1
LogP,Please modify the molecule CCC1CCCC(C(O)c2cccc(COC)c2)C1 to increase its LogP value.,CCC1CCCC(C(O)(c2ccccc2)c2cccc(COC)c2)C1
MR,Modify the molecule CC1C(CSc2cccc[n+]2[O-])OC(c2cccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2)OC1c1ccc(CO)cc1 to have a higher MR value.,CC(=O)Cc1ccc(C2OC(c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)OC(CSc3cccc[n+]3[O-])C2C)cc1
QED,Modify the molecule O=C(CCCl)Nc1c2c(nc3c1CCC3)CCCC2 to have a lower QED value.,ClCc1c2c(nc3c1CCC3)CCCC2
AtomNum,"Please generate a molecule with 13 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",Cn1cc(CCNC(=O)C2(C(N)=S)CCCC2)cn1
BondNum,"There is a molecule consisting of 12 single bonds, 2 double bonds, 1 triple bond, 7 rotatable bonds, and 18 aromatic bonds.",Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(Oc2cccc(F)c2)nc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, and 1 sulfone group.",CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)NCCOC)c1
AddComponent,Modify the molecule C[NH+](C)CCNC(=O)C1CC1C(=O)N1CCCCCC1 by adding a benzene ring.,C[NH+](CCNC(=O)C1CC1C(=O)N1CCCCCC1)Cc1ccccc1
SubComponent,Substitute a nitrile in the molecule Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccc(C#N)cc3)c12 with a nitro.,Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccc(NO)cc3)c12
DelComponent,Modify the molecule halo by removing a CCC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(OC)c(C)c1.,CCC(NS(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1
LogP,Please modify the molecule Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F to decrease its LogP value.,Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)C#N
MR,Please optimize the molecule Fc1cccc(N2CCC3C[NH+](Cc4cccnc4)CCOC3C2)c1 to have a higher MR value.,ONc1cccc(N2CCC3C[NH+](Cc4cccnc4)CCOC3C2)c1
QED,Please optimize the molecule O=C(Cc1ccc(Oc2ccc(OC3CCC(NS(=O)(=O)c4cccc(F)c4)CC3)cc2)nc1)Nc1ccccc1C(=O)[O-] to have a higher QED value.,O=C(Cc1ccc(OOC2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)nc1)Nc1ccccc1C(=O)[O-]
AtomNum,"The molecule is composed of 16 carbon atoms, and 3 oxygen atoms.",CCOC(=O)C1=C(OCC)C=C(c2ccccc2)C1
BondNum,"The molecule consists of 12 single bonds, 4 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",CN1CC(=O)N(Cc2sccc2C=CC(=O)[O-])CC1=O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 amine groups, and 1 sulfone group.",CCN(Cc1cccc(N)c1)S(=O)(=O)NC1CC1
AddComponent,Please add a aldehyde to the molecule O=C(c1ccc2c(c1)C1(CC[NH+](CC3CC3)C1)CN2Cc1ccccc1)N1CCOCC1.,O=CCC1[NH+](CC2CC2)CCC12CN(Cc1ccccc1)c1ccc(C(=O)N3CCOCC3)cc12
SubComponent,Please substitute a hydroxyl in the molecule CC(C)(C)c1ccc(-c2cc(NCC[NH+]3CCCC3)nc(-c3ccc(O)cc3)c2)cc1 with a aldehyde.,CC(=O)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(NCC[NH+]3CCCC3)n2)cc1
DelComponent,Please remove a COc1cc(OC)c(NC(=O)c2n[nH]c(C)c2N)cc1Cl from the molecule halo.,COc1ccc(NC(=O)c2n[nH]c(C)c2N)c(OC)c1
LogP,Modify the molecule N#CCNc1cc[nH+]c2sc3c(=O)nc[nH]c3c12 to have a higher LogP value.,O=c1nc[nH]c2c1sc1[nH+]ccc(NCS)c12
MR,Please modify the molecule CC1(C)Oc2ccc(C(=O)Cc3ccccc3)cc2C2OC21 to decrease its MR value.,CC(=O)c1ccc2c(c1)C1OC1C(C)(C)O2
QED,Please optimize the molecule COc1cc(Cl)c(C(=O)C=Cc2ccc3c(c2)OCCO3)cc1OC to have a lower QED value.,CC(=O)c1cc(OC)c(OC)cc1C(=O)C=Cc1ccc2c(c1)OCCO2
AtomNum,"There is a molecule with 37 carbon atoms, 6 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",COc1nc(OCc2cccc(-c3cccc(COc4ccc(C[NH2+]CCNC(C)=O)c(OC)n4)c3Cl)c2C)ccc1C[NH2+]CCNC(C)=O
BondNum,"There is a molecule with 14 single bonds, 1 double bond, 12 rotatable bonds, and 6 aromatic bonds.",CCCCCCCCCCCC(=O)c1ccc(CC)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",CC(C)(CC(=O)[O-])NC(=O)c1ccc(-n2cccc2)cc1
AddComponent,Modify the molecule CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 by adding a benzene ring.,CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1c1ccccc1
SubComponent,Modify the molecule halo by substituting a NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1 with a carboxyl.,NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)[OH])cc2)c1
DelComponent,Remove a benzene ring from the molecule COc1ccc(C2OC23CCc2ccccc2C3=O)cc1.,COC1OC12CCc1ccccc1C2=O
LogP,Modify the molecule N#CC(C#N)(Cc1ccc(Cl)cc1)N=Nc1ccccc1 to have a higher LogP value.,N#CC(Cc1ccc(Cl)cc1)N=Nc1ccccc1
MR,Modify the molecule Cc1cc(OCC(=O)Nc2cnc(-c3ccccc3)nc2)ccc1Cl to decrease its MR value.,Cc1cc(OCC(=O)Nc2cncnc2)ccc1Cl
QED,Please optimize the molecule CC(=O)c1cccc(-n2nnnc2-c2ccc(F)c(F)c2)c1 to have a lower QED value.,CC(=O)c1cccc(-n2nnnc2-c2ccc(F)cc2)c1
AtomNum,"There is a molecule with 13 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CN(C(=O)C[NH+](CCO)CCO)c1ccccc1
BondNum,"There is a molecule consisting of 16 single bonds, 5 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COC(=O)C1=C(C)[NH2+]C(c2cccc([N+](=O)[O-])c2)N(N=O)C1c1cccc([N+](=O)[O-])c1
FunctionalGroup,There is a molecule consisting of and 2 benzene ring groups.,Cc1ccc(-n2c(-c3nc4ccccc4c(=O)n3-c3ccc(C)cc3C)nc3ccccc3c2=O)cc1
AddComponent,Please add a benzene ring to the molecule COCC(O)C[NH2+]CC(O)COC1CCCC1.,COCC(O)C[NH2+]C(c1ccccc1)C(O)COC1CCCC1
SubComponent,Please substitute a Fc1nc(F)c(Br)cc1Br in the molecule halo with a aldehyde.,CC(=O)c1nc(F)c(Br)cc1Br
DelComponent,Remove a O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCCCc1ccccc1 from the molecule benzene ring.,CCCOC(=O)CCCC(=O)Oc1c(F)cccc1Cl
LogP,Please modify the molecule CCOC(=O)CC(=Nc1cccc(N2CC[NH+](C)CC2)c1)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1 to decrease its LogP value.,CCOC(=O)CC(=Nc1cccc(N2CC[NH+](C)CC2)c1)c1ccc(Cc2ccc(OC(F)(F)S)cc2)cc1
MR,Optimize the molecule Fc1c(Cl)cccc1-c1cc(CBr)on1 to have a higher MR value.,O=C([OH])c1c(Cl)cccc1-c1cc(CBr)on1
QED,Optimize the molecule CCCC(=O)NCC(c1ccco1)N1CCc2ccccc21 to have a lower QED value.,CCCC(c1ccco1)N1CCc2ccccc21
AtomNum,"Please generate a molecule consisting 74 carbon atoms, 17 oxygen atoms, and 2 phosphorus atoms.",CC(C)CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)C)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C
BondNum,"There is a molecule with 19 single bonds, 2 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3cccnc3SCc3c(C)noc3C)CC2)c1
FunctionalGroup,There is a molecule composed of and 1 halo group.,COCCc1nnc(I)o1
AddComponent,Modify the molecule CCC(C(=O)NCCNc1ccc2ccccc2n1)c1ccccc1 by adding a hydroxyl.,CCC(C(=O)NCCNc1ccc2ccc(O)cc2n1)c1ccccc1
SubComponent,Substitute a O=C([O-])CNC(=O)C1=C([O-])CCN(Cc2ccc(Oc3ccc(C(F)(F)F)nc3)cc2)C1=O in the molecule halo with a nitrile.,N#CC(F)(F)c1ccc(Oc2ccc(CN3CCC([O-])=C(C(=O)NCC(=O)[O-])C3=O)cc2)cn1
DelComponent,Remove a CCOc1cc2nc(Nc3c(Cl)cncc3Cl)[nH]c2cc1C(=O)NCC(F)(F)F from the molecule halo.,CCOc1cc2nc(Nc3c(Cl)cncc3Cl)[nH]c2cc1C(=O)NCC(F)F
LogP,Please modify the molecule O=S(=O)(Cc1cc(F)cc(F)c1)N1CCN(S(=O)(=O)N2CCCC2)CC1 to decrease its LogP value.,O=S(=O)(Cc1cc(F)cc(F)c1)N1CCN(S(=O)(=O)N2CCC(S)C2)CC1
MR,Optimize the molecule O=C(c1s[nH]c(=O)c1Cl)N1CCSCC1 to have a higher MR value.,O=C([OH])c1c(C(=O)N2CCSCC2)s[nH]c1=O
QED,Modify the molecule CCc1cc(C[NH2+]C)cc(Oc2cc(Br)ccc2Cl)n1 to increase its QED value.,CCc1cc(C[NH2+]C)cc(Oc2cc(O)ccc2Cl)n1
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 2 bromine atoms.",CCOc1c(Br)cc(Br)cc1C[NH2+]CC(=O)[O-]
BondNum,"The molecule has 14 single bonds, 4 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2=CC3CCCC3C2=O)cc1
FunctionalGroup,Please generate a molecule consisting and 2 aldehyde groups.,CN1c2nccc(C=O)c2N(C)c2c(C=O)ccnc21
AddComponent,Modify the molecule Cn1ncc(NC(=O)NCC[NH3+])c1NC(c1ccccc1)(c1ccccc1)c1ccccc1 by adding a amine.,Cn1ncc(NC(=O)NCC[NH3+])c1NC(c1ccccc1)(c1ccccc1)c1cccc(N)c1
SubComponent,Please substitute a thiol in the molecule Cc1ccccc1C(C(=O)NC(C)(C)C)N(C(=O)C(CS)NC(=O)OC(C)(C)C)C1CC1 with a nitrile.,Cc1ccccc1C(C(=O)NC(C)(C)C)N(C(=O)C(CC#N)NC(=O)OC(C)(C)C)C1CC1
DelComponent,Please remove a CC(=O)N1CC(=O)N(Cc2ccncc2)CC(OCc2cccc(F)c2)C1 from the molecule benzene ring.,CC(=O)N1CC(=O)N(Cc2ccncc2)CC(OCF)C1
LogP,Optimize the molecule Cc1ccc(C(CC(=O)[O-])NC(=O)c2ccc(N3CCCN(C(=O)c4cccnc4)CC3)c(NC(=O)c3cccc(Cl)c3)c2)cc1 to have a lower LogP value.,Cc1ccc(C(CC(=O)[O-])NC(=O)c2ccc(N3CCCN(C(=O)c4cccnc4)CC3)c(NC(=O)Cl)c2)cc1
MR,Please optimize the molecule CCC[NH+]1CCC(Nc2ccc(N)c(OC)c2)CC1 to have a higher MR value.,CCC[NH+]1CCC(Nc2cc(O)c(N)c(OC)c2)CC1
QED,Please modify the molecule CCOc1cccc(C[NH2+]C)c1OCC(C)O to increase its QED value.,CC(=O)C(C)COc1c(C[NH2+]C)cccc1OCC
AtomNum,"Please generate a molecule with 24 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",CC(C)(C)OC(=O)C(c1ccc(Cl)cc1)[NH+]1CCC(c2noc3cc(Br)ccc23)CC1
BondNum,"There is a molecule with 14 single bonds, 1 double bond, and 4 rotatable bonds.",C[NH2+]C(C)C(=O)N1CCCC(COC)C1
FunctionalGroup,Please generate a molecule with and 1 halo group.,O=C([O-])C(Cc1ccc(Br)cn1)C1CCCC1
AddComponent,Add a nitrile to the molecule C#CCNC(=O)CNC(NC1CC1)=[NH+]C.,C#CCNC(=O)C(C#N)NC(NC1CC1)=[NH+]C
SubComponent,Please substitute a halo in the molecule O=C(CCC1CC[NH2+]CC1)Nc1c(F)cc(F)cc1Br with a nitrile.,N#Cc1cc(F)cc(Br)c1NC(=O)CCC1CC[NH2+]CC1
DelComponent,Remove a halo from the molecule O=C([O-])c1cn(CCCF)nc1C(F)F.,CCCn1cc(C(=O)[O-])c(C(F)F)n1
LogP,Please modify the molecule O=C([O-])c1ccc2scc(Cl)c2c1CO to increase its LogP value.,Cc1c(C(=O)[O-])ccc2scc(Cl)c12
MR,Optimize the molecule O=C(c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1)N1CCCCC1 to have a lower MR value.,O=C(c1cccc(NC2=C(O)C(=O)N(CCc3ccccc3)C2=O)c1)N1CCCCC1
QED,Please optimize the molecule O=C1C=C(c2cc(Br)cs2)C(C(=O)[O-])CC1 to have a lower QED value.,CC(=O)c1csc(C2=CC(=O)CCC2C(=O)[O-])c1
AtomNum,"There is a molecule composed of 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(C)N1C(=O)C(C)(C)Nc2cccc(CO)c21
BondNum,"The molecule consists of 24 single bonds, 3 double bonds, 13 rotatable bonds, and 17 aromatic bonds.",[NH3+]CCN(CC[NH3+])C(=O)CCC([NH3+])C(=O)NC(C(=O)Nc1ccc2ncccc2c1)C(O)c1ccc(C(F)(F)F)cc1
FunctionalGroup,"The molecule has 1 hydroxyl group, and 4 ester groups.",CCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC
AddComponent,Add a amine to the molecule O=C(CSc1nc(=O)[nH]c2c1CCCC2)N1CCc2ccccc21.,NC1CCc2[nH]c(=O)nc(SCC(=O)N3CCc4ccccc43)c2C1
SubComponent,Please substitute a halo in the molecule O=C(c1ccc(Br)cc1Br)N1CC2CCC(C1)O2 with a thiol.,O=C(c1ccc(S)cc1Br)N1CC2CCC(C1)O2
DelComponent,Remove a hydroxyl from the molecule CC1(C)CCN(C(=O)c2cc(Br)ccc2O)C1.,CC1(C)CCN(C(=O)c2cccc(Br)c2)C1
LogP,Please modify the molecule CCOc1ccc(C(CC)[NH2+]C2CCC(O)CC2)cc1OCC to increase its LogP value.,CCOc1ccc(C(CC)[NH2+]C2CCC(C#N)CC2)cc1OCC
MR,Modify the molecule Cc1c(NC(=O)c2cccc(I)c2)cccc1C(=O)[O-] to increase its MR value.,Cc1c(NC(=O)c2cccc(I)c2-c2ccccc2)cccc1C(=O)[O-]
QED,Please modify the molecule CC(C[NH+]1CCCC1C)c1cc2cc(-c3cncnc3)ccc2[nH]1 to decrease its QED value.,CC(c1cc2cc(-c3cncnc3)ccc2[nH]1)C(O)[NH+]1CCCC1C
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 5 nitrogen atoms, and 1 sulfur atom.",CN(C)c1cc(NC2CCC(NC(=S)Nc3cccc4ccccc34)CC2)[nH+]c2ccccc12
BondNum,"There is a molecule composed of 11 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCC[NH2+]C(c1ccc(Cl)c(OC)c1)c1snnc1CC
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, and 1 halo group.",COc1cc2c(=O)n(Cc3ccc(C(=O)NC(C)C)cc3)c(=O)n(Cc3ccc(Cl)cc3)c2cc1OC
AddComponent,Please add a carboxyl to the molecule [NH3+]CC1CCCCC1NC(=O)c1ccc[nH]c1=O.,[NH3+]CC1CC(C(=O)O)CCC1NC(=O)c1ccc[nH]c1=O
SubComponent,Please substitute a nitrile in the molecule CSc1nc(N)c(C#N)c(-c2ccccc2)c1C#N with a thiol.,CSc1nc(N)c(S)c(-c2ccccc2)c1C#N
DelComponent,Please remove a CC(C)CN(CCC(N)=S)c1ccc(C(N)=O)cn1 from the molecule amine.,CC(C)CN(CCC=S)c1ccc(C(N)=O)cn1
LogP,Please optimize the molecule CCOC1=C(OCC)C(C(O)CO)OC1=O to have a lower LogP value.,CCOC1=C(OCCC#N)C(=O)OC1C(O)CO
MR,Please optimize the molecule Cn1ccnc1C(=O)C1CCCN(c2nncc(-c3ccc(C(F)(F)F)cc3)n2)C1 to have a lower MR value.,Cn1ccnc1C(=O)C1CCCN(c2nncc(C(F)(F)F)n2)C1
QED,Modify the molecule Cn1c([O-])c(N=Nc2n[nH]c(C(C)(C)C)c2C#N)c(=O)n(-c2ccccc2)c1=O to have a lower QED value.,Cn1c([O-])c(N=Nc2n[nH]c(C(C)(C)C)c2C#N)c(=O)n(-c2ccccc2-c2ccccc2)c1=O
AtomNum,"There is a molecule consisting of 19 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",Cc1cc(CNC(=O)C=Cc2ccccc2Cl)nc(N2CCCC2)n1
BondNum,"The molecule consists of 11 single bonds, and 7 rotatable bonds.",CC(CO)CSCC[NH2+]C(C)C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 3 amine groups, and 4 halo groups.",Cc1ccc(F)cc1Nc1cc(NN)nc(C(F)(F)F)n1
AddComponent,Modify the molecule CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 by adding a amine.,CC(N)N(Cc1ccc(Cl)s1)C(=O)Nc1cccc(NC(=O)C2CC2)c1
SubComponent,Substitute a nitrile in the molecule N#CCC1C2CCC1CN(c1cc(C(F)(F)F)cc3cncn13)C2 with a nitro.,ONCC1C2CCC1CN(c1cc(C(F)(F)F)cc3cncn13)C2
DelComponent,Please remove a thiol from the molecule SCCCCc1ccc(N=Nc2ccccc2)cc1.,CCCCc1ccc(N=Nc2ccccc2)cc1
LogP,Modify the molecule CCc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)C2c2ccc(F)cc2)s1 to decrease its LogP value.,CCc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)C2c2ccccc2)s1
MR,Modify the molecule Cc1cc(C)c(Nc2nc3cccc(N(Cc4ccc(C#N)cc4)CC4CC4)c3n2C)c(C)c1 to increase its MR value.,Cc1cc(C)c(Nc2nc3cccc(N(Cc4ccc(C#N)c(C(=O)O)c4)CC4CC4)c3n2C)c(C)c1
QED,Modify the molecule CC(C)CCCCNc1nc2cc(F)ccc2s1 to decrease its QED value.,CC(C)CCCCNc1nc2cc(O)ccc2s1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",O=C(NCC1(CO)CCC1)c1cc(-c2ccc(Cl)cc2)on1
BondNum,"The molecule has 18 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(C([O-])=C2C(=O)C(=O)N(CC[NH+](CC)CC)C2c2cccc(O)c2)cc1
FunctionalGroup,"The molecule contains 2 nitrile groups, and 1 sulfide group.",CCCCCCCCCCCCCCOc1sc(C#N)c(C#N)c1OCCCCCCCCCCCCCC
AddComponent,Add a carboxyl to the molecule Cc1nc(-c2ccc(-c3cncnc3)cc2)c2c(n1)C1(c3ccccc3)CC(C#N)C(=O)C(C)C1CC2.,Cc1nc(-c2ccc(-c3cncnc3)cc2C(=O)O)c2c(n1)C1(c3ccccc3)CC(C#N)C(=O)C(C)C1CC2
SubComponent,Substitute a halo in the molecule COc1ccc(Cl)cc1NC(=O)Cc1cccc(C)c1 with a nitro.,COc1ccc(NO)cc1NC(=O)Cc1cccc(C)c1
DelComponent,Remove a amine from the molecule CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(N)nc2)o1.,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cccnc2)o1
LogP,Please modify the molecule CNC(=O)N1CCOC(C[NH3+])C1 to decrease its LogP value.,CNC(=O)N1CCOC(C([NH3+])O)C1
MR,Please optimize the molecule N#Cc1ccsc1NC(=O)c1ccc(CC[NH3+])cc1 to have a higher MR value.,[NH3+]CCc1ccc(C(=O)Nc2sccc2C(=O)[OH])cc1
QED,Please optimize the molecule CCC(CSC)N(C)C(=O)c1cncc(Br)c1 to have a lower QED value.,CC(=O)c1cncc(C(=O)N(C)C(CC)CSC)c1
AtomNum,"There is a molecule composed of 23 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",Cc1cccc(COc2ccc(CNn3c(-c4ccccc4)n[nH]c3=S)cc2)c1
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 7 rotatable bonds, and 15 aromatic bonds.",CCOC(=O)c1sc(NC(=O)CSc2nc(CC)nc3sc(C)c(C)c23)nc1C
FunctionalGroup,"The molecule contains 3 benzene ring groups, 2 amide groups, 1 amine group, and 1 halo group.",CCOc1cccc(NC2=C(c3ccc(C)cc3)C(=O)N(Cc3ccccc3F)C2=O)c1
AddComponent,Modify the molecule CS(=O)(=O)N1CCC([NH+]2CC3CC(O)CC3C2)CC1 by adding a benzene ring.,CS(=O)(=O)N1CCC([NH+]2CC3CC(O)CC3C2c2ccccc2)CC1
SubComponent,Substitute a CC(C)C1CCCN(C(=O)c2c(O)cccc2F)CC1 in the molecule hydroxyl with a thiol.,CC(C)C1CCCN(C(=O)c2c(F)cccc2S)CC1
DelComponent,Please remove a aldehyde from the molecule N#Cc1cnc(N2CCCCC2C=O)cn1.,N#Cc1cnc(N2CCCC2)cn1
LogP,Please modify the molecule Cc1noc(C2CCCN2C(=O)NC2CCCC(C)(C)C2)n1 to increase its LogP value.,Cc1noc(C2CCCN2C(=O)NC2CCCC(C)(Cc3ccccc3)C2)n1
MR,Optimize the molecule COc1ccc(CCC(=O)N2CCOC(c3ccc(Br)cc3)C2)c(OC)c1OC to have a higher MR value.,CC(=O)c1ccc(C2CN(C(=O)CCc3ccc(OC)c(OC)c3OC)CCO2)cc1
QED,Modify the molecule Fc1cccc2nc(N3CC4(CCCOC4)C3)sc12 to decrease its QED value.,c1ccc2sc(N3CC4(CCCOC4)C3)nc2c1
AtomNum,"The molecule contains 27 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 bromine atom.",CSc1nc(-c2ccccc2F)n(-c2ccc(Br)cc2)c(=O)c1CN=Nc1ccc2ccccc2n1
BondNum,"Please generate a molecule with 10 single bonds, 1 rotatable bond, and 10 aromatic bonds.",Cc1ccc2c(c1)nc(N)n2C1CCCC(C)C1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 hydroxyl groups, 1 amine group, 1 sulfone group, and 1 borane group.",CC(C)(C)OC(=O)NC(CCCCNS(=O)(=O)c1ccc(B(O)O)cc1)C(=O)[O-]
AddComponent,Modify the molecule CCCCCCCCCCCCCCC(O)C(O)C(C)COC1OC(CO)C(O)C(O)C1O by adding a thiol.,CCCCCCCCCCCCCCC(O)C(O)C(C)COC1OC(CO)C(O)(S)C(O)C1O
SubComponent,Modify the molecule halo by substituting a O=C(CCC(c1cccnc1Cl)[NH+]1CCC(F)(F)CC1)c1cccc2ncccc12 with a carboxyl.,O=C([OH])c1ncccc1C(CCC(=O)c1cccc2ncccc12)[NH+]1CCC(F)(F)CC1
DelComponent,Please remove a CC1CC(C(=O)Nc2cccc(F)c2)NN1 from the molecule amine.,CC1CC(C(=O)Nc2cccc(F)c2)N1
LogP,Modify the molecule Cc1c(OC(=O)c2ccccc2Cl)ccc2c1OC(=Cc1ccccc1)C2=O to have a lower LogP value.,Cc1c(OC(=O)c2ccccc2NO)ccc2c1OC(=Cc1ccccc1)C2=O
MR,Optimize the molecule COc1ccc(C(N)=[NH+]O)cc1CNc1cn(C)nc1C to have a lower MR value.,COc1ccc(C(N)=[NH+]O)cc1Cc1cn(C)nc1C
QED,Modify the molecule CC(=O)c1nnn(CC(=O)OCc2ccccc2)c1C to decrease its QED value.,COC(=O)Cn1nnc(C(C)=O)c1C
AtomNum,"The molecule consists of 18 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",COc1ccc(C2Nc3cc(Cl)ccc3-c3ccnn32)cc1OC
BondNum,"Please generate a molecule with 7 single bonds, 2 rotatable bonds, and 16 aromatic bonds.",Fc1cc2c(cc1Br)nc(CCl)n2-c1ccc(Br)cc1Br
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 3 amine groups.",COc1ccc(NC(N)=[NH+]Cc2noc3c2CCCC3)cc1OC
AddComponent,Add a hydroxyl to the molecule COc1c(C)cc(Br)c(C(=O)N(C(C)C)C(C)C)c1I.,COc1c(C)cc(Br)c(C(=O)N(C(C)C)C(C)CO)c1I
SubComponent,Please substitute a halo in the molecule CCCCN(C)C(=O)c1cnc(Nc2ccc(F)cc2)nc1 with a carboxyl.,CCCCN(C)C(=O)c1cnc(Nc2ccc(C(=O)[OH])cc2)nc1
DelComponent,Please remove a C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)ccc1F from the molecule halo.,C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1
LogP,Please optimize the molecule O=C(Cn1ncc2c(N3CCOCC3)ncnc21)NCc1ccc(Br)cc1 to have a lower LogP value.,CC(=O)c1ccc(CNC(=O)Cn2ncc3c(N4CCOCC4)ncnc32)cc1
MR,Please modify the molecule CCOc1ccc(Nc2cc(Nc3ccc(F)cc3F)ncn2)cc1 to increase its MR value.,CCOc1ccc(Nc2cc(Nc3ccc(F)cc3)ncn2)cc1
QED,Modify the molecule OCc1ccc(Cl)nc1-c1cccc(C(F)(F)F)c1 to decrease its QED value.,Cc1ccc(Cl)nc1-c1cccc(C(F)(F)F)c1
AtomNum,"The molecule is composed of 23 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",COC(=O)C([NH3+])CCC(CCc1ccccc1)CC1OC(OC)C2OC(C)(C)OC12
BondNum,"The molecule has 10 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 6 aromatic bonds.",C#CCN(C)S(=O)(=O)c1cccc(C[NH2+]C(C)C)c1
FunctionalGroup,The molecule contains and 2 halo groups.,CCCCCCCCCCCn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21
AddComponent,Please add a carboxyl to the molecule Cc1oc2c3c(c(C)c(C)c2c1C)OC1(OC(C)(C)C(C)(C)O1)C(C)(C)C3(C)C.,Cc1oc2c3c(c(C)c(C)c2c1C)OC1(OC(C)(C)C(C)(CC(=O)O)O1)C(C)(C)C3(C)C
SubComponent,Modify the molecule halo by substituting a O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1 with a nitrile.,N#Cc1cc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1N1CCCCC1
DelComponent,Please remove a halo from the molecule CC(=O)ON=C(c1ccccc1)c1cc(C)c(Br)cc1O.,CC(=O)ON=C(c1ccccc1)c1cc(C)ccc1O
LogP,Please modify the molecule Cc1nc(NCCc2ccc(S(N)(=O)=O)cc2)c2c(CC(C)C)csc2n1 to decrease its LogP value.,Cc1nc(NCCS(N)(=O)=O)c2c(CC(C)C)csc2n1
MR,Optimize the molecule CC(CC[NH+](C)C)Nc1ccc(C(N)=S)cc1F to have a higher MR value.,CC(CC[NH+](C)C)Nc1ccc(C(N)=S)cc1
QED,Optimize the molecule CC(=COc1ccccc1)C(=Nc1ccccc1)Oc1cccc(F)c1 to have a higher QED value.,CC(=CO)C(=Nc1ccccc1)Oc1cccc(F)c1
AtomNum,"The molecule consists of 7 carbon atoms, 2 nitrogen atoms, and 1 bromine atom.",C=CC(C)n1ccc(Br)n1
BondNum,"There is a molecule with 7 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CCN(CCC(=O)[O-])c1ncns1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 thioether group, and 1 sulfide group.",CCSc1cccc(N(CC)C(C)C[NH+](C)C)c1C(=O)[O-]
AddComponent,Please add a nitrile to the molecule O=C(NCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccsc1.,N#Cc1ccccc1C(c1ccccc1)[NH+]1CCN(CCCNC(=O)c2ccsc2)CC1
SubComponent,Please substitute a O=C([O-])C1CCN(C(=O)c2cnc(OCC3CC3)c(Cl)c2)CC1 in the molecule halo with a nitrile.,N#Cc1cc(C(=O)N2CCC(C(=O)[O-])CC2)cnc1OCC1CC1
DelComponent,Remove a CC1CCC(CCNC(=O)c2ccc(C(N)=S)cn2)CC1 from the molecule amine.,CC1CCC(CCNC(=O)c2ccc(C=S)cn2)CC1
LogP,Optimize the molecule CN(CC(O)COCc1ccccc1)C(=O)c1ccccc1Cl to have a higher LogP value.,CN(CC(O)COCc1ccccc1-c1ccccc1)C(=O)c1ccccc1Cl
MR,Please optimize the molecule CNc1nc(NCC[NH+](C)C2CC2)c2ccsc2n1 to have a lower MR value.,CNc1nc(CC[NH+](C)C2CC2)c2ccsc2n1
QED,Please optimize the molecule CCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 to have a lower QED value.,CCCNC(=O)C1CCC(O)N(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1
AtomNum,"There is a molecule composed of 14 carbon atoms, and 2 nitrogen atoms.",C[NH2+]C(C)c1cc2ccccc2n1C(C)C
BondNum,"The molecule consists of 9 single bonds, 6 rotatable bonds, and 18 aromatic bonds.",CN(Cc1cnccn1)c1ncc(Cl)c(N(C)Cc2cnccn2)n1
FunctionalGroup,Please generate a molecule with and 1 amide group.,CCCCCCCCCCCCCC(=O)N(CC[NH2+]CC)OC(C)=O
AddComponent,Add a hydroxyl to the molecule Cc1cc2ccccc2c(-c2ccc3c4c2NCCC4CCO3)c1CC(=O)[O-].,Cc1cc2ccccc2c(-c2ccc3c4c2NC(O)CC4CCO3)c1CC(=O)[O-]
SubComponent,Please substitute a halo in the molecule O=C(NCc1ccnc(F)c1)n1c2c(c3ccc(OC(F)(F)F)cc31)C[NH+](CC=Cc1ccc(F)cc1F)CC2 with a nitro.,ONc1cc(CNC(=O)n2c3c(c4ccc(OC(F)(F)F)cc42)C[NH+](CC=Cc2ccc(F)cc2F)CC3)ccn1
DelComponent,Modify the molecule amide by removing a COc1ccc(-n2cccn2)cc1S(=O)(=O)NCC1CC(=O)N(C2CCCC2)C1.,COc1ccc(-n2cccn2)cc1S(=O)(=O)NCCCC1CCCC1
LogP,Modify the molecule CCCC(C)(C[NH2+]CC(C)C)C[NH+](CC)CCOC to have a higher LogP value.,CC[NH+](CCOC)CC(C)(CCCc1ccccc1)C[NH2+]CC(C)C
MR,Modify the molecule CCCOc1ncccc1CNC(NCCn1cccc1)=[NH+]C to increase its MR value.,CCCOc1ncccc1CNC(NCCn1cccc1)=[NH+]Cc1ccccc1
QED,Modify the molecule COC(=O)c1c(N)c2cc([N+](=O)[O-])ccc2[nH]c1=O to have a higher QED value.,COC(=O)c1c(N)c2cc([SH]=O)ccc2[nH]c1=O
AtomNum,"The molecule contains 14 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CC1CCCN(C(=O)NCCCc2[nH]cc[nH+]2)C1C(=O)[O-]
BondNum,"There is a molecule composed of 19 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(C(C)C)c1NC(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 ketone group, 2 ester groups, and 1 amine group.",O=C(CNc1ccc2nc3n(c(=O)c2c1)-c1ccccc1C3=O)OCCOC(=O)c1ccc2ccc3cccc4ccc1c2c34
AddComponent,Modify the molecule CC1(C)OCC2C[NH2+]CC21C(=O)NCc1ccn2ccnc2c1 by adding a benzene ring.,CC1(C)OC(c2ccccc2)C2C[NH2+]CC21C(=O)NCc1ccn2ccnc2c1
SubComponent,Modify the molecule halo by substituting a Clc1ccccc1-c1nc(Br)cnc1N1CCCC1 with a hydroxyl.,Oc1ccccc1-c1nc(Br)cnc1N1CCCC1
DelComponent,Modify the molecule CC(CO)(CO)NC(=O)CN1CCN(c2cccc(Cl)c2)C1=O by removing a amide.,CC(CO)(CO)N1CCN(c2cccc(Cl)c2)C1=O
LogP,Modify the molecule CC1CCN(C(=O)Cc2sc(NC3CCCCCC3)nc2O)CC1 to increase its LogP value.,CC1CCC(c2sc(NC3CCCCCC3)nc2O)C1
MR,Modify the molecule Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)CC1 to have a higher MR value.,Cc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)CC1
QED,Optimize the molecule [NH3+]CC1(c2nnc(C(F)F)s2)CC1 to have a lower QED value.,[NH3+]CC1(c2nnc(CF)s2)CC1
AtomNum,"Please generate a molecule with 9 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",C=CC(=O)N1CCOC(C)(C)C1
BondNum,"There is a molecule consisting of 12 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCC(C)N(C(C)CC)S(=O)(=O)c1ccc(C)cc1C
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 amide group, and 3 halo groups.",O=C(Cn1ccc(C(F)(F)F)n1)NC1CCCCC1O
AddComponent,Add a benzene ring to the molecule C=CC(C)C1NC(=O)C1C(C)O.,C=CC(C)(c1ccccc1)C1NC(=O)C1C(C)O
SubComponent,Substitute a hydroxyl in the molecule CC(C)c1cccc2c(CCCO)c[nH]c12 with a halo.,CC(C)c1cccc2c(CCCCl)c[nH]c12
DelComponent,Modify the molecule halo by removing a CC(C)=CC[NH+]1CCC(C(O)C(F)(F)F)CC1.,CC(C)=CC[NH+]1CCC(C(O)C(F)F)CC1
LogP,Please optimize the molecule CCC[NH2+]C(CC(C)CCC)c1ccc(Br)cc1C to have a lower LogP value.,CC(=O)c1ccc(C(CC(C)CCC)[NH2+]CCC)c(C)c1
MR,Modify the molecule CCCCOc1ccc(C(=O)N2CCC(Oc3nccs3)C2)cc1 to have a higher MR value.,CCCCOc1ccc(C(=O)N2CCC(Oc3nccs3)C2)c(S)c1
QED,Please modify the molecule Cc1cnc(C)c(NCCN2C(=O)CCC2=O)n1 to increase its QED value.,Cc1cnc(C)c(NCCN2C(=O)CC(C#N)C2=O)n1
AtomNum,"The molecule consists of 15 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COc1ccc(NC2CCCCCC2O)cc1OC
BondNum,"The molecule is composed of 12 single bonds, 3 rotatable bonds, and 17 aromatic bonds.",Cc1cccc(N2CC[NH+](Cc3nc4ccccc4c(C)c3Cl)CC2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfide group.",O=C(NCc1cccs1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1
AddComponent,Modify the molecule CC(C(=O)NC(=O)NC1CCCCC1)[NH+]1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1 by adding a aldehyde.,CC(C(=O)NC(=O)NC1CCCC(CC=O)C1)[NH+]1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
SubComponent,Please substitute a hydroxyl in the molecule CS(=O)(=O)Nc1cccc(C(O)C[NH2+]CCOc2ccc3c(c2)[nH]c2cc(Oc4ccccc4)ccc23)c1 with a carboxyl.,CS(=O)(=O)Nc1cccc(C(C[NH2+]CCOc2ccc3c(c2)[nH]c2cc(Oc4ccccc4)ccc23)C(=O)[OH])c1
DelComponent,Modify the molecule amine by removing a [NH3+]C(CCNc1nc2ccc(F)cn2n1)c1ccccc1.,[NH3+]C(CCc1nc2ccc(F)cn2n1)c1ccccc1
LogP,Modify the molecule CC1(C)C(C(=O)OCc2cccc(Oc3ccccc3)c2)C12C=CC=C2 to have a lower LogP value.,CC1(C)C(C(=O)OCc2cccc(O)c2)C12C=CC=C2
MR,Modify the molecule C=C1CC(=O)N(CC(O)COCCOCC(COCCOCC(O)CN2C(=O)CC(=C)C2=O)OCCOCC(O)CN2C(=O)CC(=C)C2=O)C1=O to have a lower MR value.,C=C1CC(=O)N(CC(O)COCCOCC(COCCOCC(O)CC(=O)CC)OCCOCC(O)CN2C(=O)CC(=C)C2=O)C1=O
QED,Please optimize the molecule CCCCCC(C)NC(NC1CCN(C(=O)OCC)CC1)=[NH+]CC(=O)N(C)C to have a higher QED value.,CCCCCC(C)NC(NC1CCN(C(=O)OCC)CC1)=[NH+]CC
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, 1 fluorine atom, 2 chlorine atoms, and 1 bromine atom.",Fc1cccc(COc2cc(Cl)ccc2Cl)c1Br
BondNum,"There is a molecule composed of 74 single bonds, 2 double bonds, and 24 rotatable bonds.",O=C(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 ketone group.",CCCCCCCCC(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
AddComponent,Modify the molecule COc1cc(OC)c(OC)cc1C[NH+]1CCc2c([nH]c(-c3cccnc3)nc2=O)C1 by adding a hydroxyl.,COc1cc(OC)c(OC)cc1C[NH+]1CCc2c([nH]c(-c3cccnc3)nc2=O)C1O
SubComponent,Please substitute a halo in the molecule Nc1cc(S(=O)(=O)Cl)c(C(F)F)c(Br)n1 with a hydroxyl.,Nc1cc(S(=O)(=O)O)c(C(F)F)c(Br)n1
DelComponent,Remove a benzene ring from the molecule CC(=NNC(=O)c1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1.,CC(=NNC(=O)c1ccc(F)cc1)c1cccc(NC=O)c1
LogP,Modify the molecule CC(C)(C)C([NH3+])C(N)c1ccc(Br)c(F)c1 to have a lower LogP value.,CC(C)(C)C([NH3+])C(N)c1ccc(C#N)c(F)c1
MR,Modify the molecule C=C1CC=C2C13C=C(OS(=O)(=O)c1ccc(C)cc1)C1(C)C2(C)COC1(OC)C3O to increase its MR value.,CC(=O)C1C23C=C(OS(=O)(=O)c4ccc(C)cc4)C4(C)C(C)(COC14OC)C2=CCC3=C
QED,Please modify the molecule COc1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1OC to decrease its QED value.,COc1ccc(NC(=O)c2ccccc2OCc2ccc(C(=O)[OH])cc2)cc1OC
AtomNum,"Please generate a molecule with 19 carbon atoms, 7 nitrogen atoms, and 1 bromine atom.",CC(C)[NH+]1CC2CC1CN2c1ccc(Nc2ncc(Br)n3ncnc23)cc1
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC1(C)CC(C(=O)c2cc(Br)ccc2F)C(C)(C)O1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 2 amide groups.",CCC(CCO)CNC(=O)C1CCCCN1C(=O)c1ccccc1
AddComponent,Please add a benzene ring to the molecule CCC1CN(C(=O)c2cc[nH]c(=O)c2)CCC1=O.,O=C1CCN(C(=O)c2cc[nH]c(=O)c2)CC1CCc1ccccc1
SubComponent,Please substitute a halo in the molecule N#Cc1ccccc1-c1nc(Br)cs1 with a hydroxyl.,N#Cc1ccccc1-c1nc(O)cs1
DelComponent,Remove a benzene ring from the molecule COc1cc2nc(-c3ccc(Br)cc3)nc(NCCC[NH+]3CCOCC3)c2cc1OC.,COc1cc2nc(Br)nc(NCCC[NH+]3CCOCC3)c2cc1OC
LogP,Modify the molecule O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCC2CCCC21 to increase its LogP value.,O=C(C1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2)CC1)N1CCC2CCCC21
MR,Modify the molecule CCc1oc2ccccc2c1CN(C)C(=O)C=Cc1nc2ccccc2o1 to have a higher MR value.,CN(Cc1c(CCN)oc2ccccc12)C(=O)C=Cc1nc2ccccc2o1
QED,Optimize the molecule Nc1ccc(I)cc1OC1CC1 to have a higher QED value.,Ic1cccc(OC2CC2)c1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",CC(C)CC([NH3+])C(=O)[N-]C(=O)Oc1nccc(OCCOc2ccccc2)c1O
BondNum,"The molecule is composed of 6 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",COc1ccc(NS(=O)(=O)c2ccccc2)cc1-n1cnnn1
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, and 1 amide group.",O=C1c2cc(O)ccc2CN1CC1CCCCCC1
AddComponent,Modify the molecule CC1Cc2cccc(CN3CC[NH2+]CC3)c2N1 by adding a hydroxyl.,OCC1Cc2cccc(CN3CC[NH2+]CC3)c2N1
SubComponent,Please substitute a CC(C)N(C)C(=O)C(C)([NH3+])c1ccc(Br)cc1 in the molecule halo with a thiol.,CC(C)N(C)C(=O)C(C)([NH3+])c1ccc(S)cc1
DelComponent,Modify the molecule halo by removing a Fc1ccc(NCc2cccc3cnccc23)c(Cl)c1.,Fc1ccc(NCc2cccc3cnccc23)cc1
LogP,Modify the molecule CC(=O)NC(CCCOC(C)=O)C(=O)[O-] to have a lower LogP value.,CC(=O)OCCCC(NC(=O)CCC=O)C(=O)[O-]
MR,Modify the molecule O=C(NCc1nnc2ccc(C(F)(F)F)cn12)C1([NH+]2CCOCC2)CCC1 to have a higher MR value.,O=C([OH])C(F)(F)c1ccc2nnc(CNC(=O)C3([NH+]4CCOCC4)CCC3)n2c1
QED,Optimize the molecule CC(C[NH2+]C(C)(C)CO)C(=O)[O-] to have a higher QED value.,CC(C[NH2+]C(C)(C)CC(=O)[OH])C(=O)[O-]
AtomNum,"Please generate a molecule consisting 8 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 5 fluorine atoms, and 1 iodine atom.",O=Cc1c(I)cc(C(F)F)nc1OC(F)(F)F
BondNum,"The molecule is composed of 6 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",[NH3+]C(CO)c1cncn1-c1cccc(Cl)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 2 halo groups.",Cc1cc(Br)c(-n2nnc(C(=O)[O-])c2C2CC2)cc1Cl
AddComponent,Please add a hydroxyl to the molecule CCC[NH2+]C(C)c1nnc(-c2ccncc2Cl)o1.,CCC[NH2+]C(CO)c1nnc(-c2ccncc2Cl)o1
SubComponent,Please substitute a Cc1cc(C(=O)c2ccoc2Br)ccc1F in the molecule halo with a nitrile.,Cc1cc(C(=O)c2ccoc2C#N)ccc1F
DelComponent,Modify the molecule benzene ring by removing a O=c1[nH]ncc2nc(-c3ccccc3)nc(Nc3ccc(C(c4cc(-c5nc(Nc6ccc(CN7CC[NH2+]CC7)cc6)c6c(=O)[nH]ncc6n5)cs4)[NH+]4CCC5(CC4)COC5)cc3)c12.,O=c1[nH]ncc2ncnc(Nc3ccc(C(c4cc(-c5nc(Nc6ccc(CN7CC[NH2+]CC7)cc6)c6c(=O)[nH]ncc6n5)cs4)[NH+]4CCC5(CC4)COC5)cc3)c12
LogP,Please optimize the molecule CCOc1ccccc1NC(=O)N1CCc2nn(C)c(C(=O)[O-])c2C1 to have a lower LogP value.,CC(O)Oc1ccccc1NC(=O)N1CCc2nn(C)c(C(=O)[O-])c2C1
MR,Please optimize the molecule CCCOc1ccc(N(CC(=O)NC(CC)c2ccc(C)cc2)S(C)(=O)=O)cc1 to have a lower MR value.,CCCOc1ccc(N(C(CC)c2ccc(C)cc2)S(C)(=O)=O)cc1
QED,Modify the molecule [CH2]C(CC(Cl)C(Cl)C(Cl)CCCC)C(F)(F)F to increase its QED value.,[CH2]C(CC(O)C(Cl)C(Cl)CCCC)C(F)(F)F
AtomNum,"The molecule is composed of 17 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 6 fluorine atoms, and 1 chlorine atom.",O=C1C(Cl)=C(Nc2ccccc2C(F)(F)F)C(=O)N1c1ccc(F)c(F)c1F
BondNum,"Please generate a molecule composed of 8 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 12 aromatic bonds.",N#CC(C(=O)c1cc(Br)ccc1Br)c1cc(F)cc(F)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 3 amide groups, and 1 halo group.",O=C(CNC(=O)C1c2ccccc2C(=O)N1C1CC1)NCC(O)c1cccc(F)c1
AddComponent,Add a benzene ring to the molecule CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(OCc2ccccc2)c1.,CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(OCc2ccc(-c3ccccc3)cc2)c1
SubComponent,Substitute a COC(=O)C(O)c1cc2c(cc1Br)OC(F)(F)C(F)(F)O2 in the molecule hydroxyl with a thiol.,COC(=O)C(S)c1cc2c(cc1Br)OC(F)(F)C(F)(F)O2
DelComponent,Remove a amine from the molecule Cc1nnc(NCc2cccc(C)c2F)s1.,Cc1nnc(Cc2cccc(C)c2F)s1
LogP,Modify the molecule CC(O)(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 to have a higher LogP value.,CC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
MR,Modify the molecule CC(Oc1cnc(N2CCC(NCl)C2)nc1)C1CCN(c2nc(C(C)(C)O)no2)CC1 to have a lower MR value.,CC(Oc1cnc(N2CCC(Cl)C2)nc1)C1CCN(c2nc(C(C)(C)O)no2)CC1
QED,Modify the molecule OC1COCC1[NH2+]C1CCCOCC1 to have a higher QED value.,O=CCC1([NH2+]C2CCCOCC2)COCC1O
AtomNum,"The molecule has 25 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 2 sulfur atoms.",CC(C)[NH+]1CCc2c(sc(NC(=O)CCNc3cccnc3)c2-c2nc3ccccc3s2)C1
BondNum,"Please generate a molecule consisting 11 single bonds, 3 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccccc1
FunctionalGroup,"The molecule contains 1 ketone group, and 1 amide group.",CCN1C(=O)COc2ccc(C(=O)Cn3c(C)cccc3=O)cc21
AddComponent,Add a hydroxyl to the molecule COc1ccc(COC(=O)C2=C(C)CSC3C(N4C(=O)c5ccccc5C4=O)C(=O)N23)cc1.,COc1ccc(COC(=O)C2=C(CO)CSC3C(N4C(=O)c5ccccc5C4=O)C(=O)N23)cc1
SubComponent,Modify the molecule halo by substituting a CC(C)NC(=O)c1ccc(NC(=O)CNc2ccccc2Cl)cc1 with a carboxyl.,CC(C)NC(=O)c1ccc(NC(=O)CNc2ccccc2C(=O)[OH])cc1
DelComponent,Remove a amide from the molecule O=C(C=Cc1ccccc1)Nc1[nH]c(-c2ccccc2)c[nH+]1.,c1ccc(Cc2[nH]c(-c3ccccc3)c[nH+]2)cc1
LogP,Modify the molecule COC(=O)CC(NS(=O)C(C)(C)C)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 to have a lower LogP value.,COC(=O)CC(NS(=O)C(C)(C)C)(c1cc(NO)cc(C(F)(F)F)c1)c1ccc(Cl)cn1
MR,Please modify the molecule COc1cc(C[NH+](C)CC(C)(C)O)ccc1C(N)=[NH+]O to decrease its MR value.,COc1cc(C[NH+](C)CC(C)(C)F)ccc1C(N)=[NH+]O
QED,Modify the molecule COc1ccccc1NC(=O)C(C)OC(=O)CCCOc1ccc(Cl)c(C)c1 to decrease its QED value.,COc1ccccc1NC(=O)C(C)OC(=O)CCCOc1ccc(S)c(C)c1
AtomNum,"There is a molecule consisting of 15 carbon atoms, and 6 nitrogen atoms.",Nc1ccc2[nH]nc(-c3cn[nH]c3-c3cccnc3)c2c1
BondNum,"There is a molecule with 4 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",COC(=O)Cc1ccc2ncsc2c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 nitrile group.",Cc1cc(C)c(C)c(C2(C#N)CC2)c1C
AddComponent,Modify the molecule CSC(COCCC#N)OC(COCCC#N)SC by adding a carboxyl.,CSC(COCCC#N)OC(COCCC#N)(SC)C(=O)O
SubComponent,Modify the molecule halo by substituting a Cc1cc(C(=O)Nc2ccccc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)CC1 with a carboxyl.,Cc1cc(C(=O)Nc2ccccc2C(=O)[OH])ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)CC1
DelComponent,Remove a halo from the molecule O=C(Nc1nccs1)c1c[nH]c(=O)n(Cc2ccccc2Cl)c1=O.,O=C(Nc1nccs1)c1c[nH]c(=O)n(Cc2ccccc2)c1=O
LogP,Modify the molecule [NH3+]C(c1ccccc1)C(NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 to decrease its LogP value.,NC(NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)(c1ccccc1)C([NH3+])c1ccccc1
MR,Modify the molecule CN(CC1CCCO1)C(=O)C[NH+]1CCN(S(C)(=O)=O)CC1 to increase its MR value.,CN(CC1OCCC1C#N)C(=O)C[NH+]1CCN(S(C)(=O)=O)CC1
QED,Please optimize the molecule CN(C)C(=O)NCCCn1c(-c2ccc(N3CCOCC3)cc2)csc1=Nc1ccc(F)cc1 to have a lower QED value.,CN(C)C(=O)NCCCn1c(-c2ccc(N3CCOCC3)cc2)csc1=Nc1ccc(C(=O)[OH])cc1
AtomNum,"There is a molecule composed of 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 3 fluorine atoms.",CCCC(C[NH3+])C(=O)NC(C)c1ccc(C(F)(F)F)cc1
BondNum,"The molecule is composed of 17 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCCNC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2OC)CC1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 1 halo group.",Cc1ccn2ncnc(Oc3ccc(NC(=O)c4ccc(N(C)C)cc4)cc3F)c12
AddComponent,Add a hydroxyl to the molecule CC(C1CCCCC1)C1CCC(CN2Cc3ccc(O)cc3C2=O)CC1.,CC(C1CCC(CN2Cc3ccc(O)cc3C2=O)CC1)C1(O)CCCCC1
SubComponent,Modify the molecule CCCN(CCC)c1cnc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(C)cc5)CC4)cc3F)c2n1 by substituting a halo with a hydroxyl.,CCCN(CCC)c1cnc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(C)cc5)CC4)cc3O)c2n1
DelComponent,Remove a COCCNC(=S)c1cccc(OCc2ccccc2)c1 from the molecule amine.,COCCC(=S)c1cccc(OCc2ccccc2)c1
LogP,Optimize the molecule COCC[NH+]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OCC1c1ccc(F)cc1 to have a lower LogP value.,CC(=O)C(F)(F)c1cc(C2C[NH+](CCOC)C(c3ccc(F)cc3)CO2)cc(C(F)(F)F)c1
MR,Please optimize the molecule COCCCOc1ncc(F)cc1C[NH2+]C1CC1 to have a higher MR value.,COCCCOc1ncccc1C[NH2+]C1CC1
QED,Please modify the molecule C=CCc1ccc(Oc2cc3c(cc2Oc2ccc(CC=C)cc2OC)-c2nc-3nc3nc([nH]c4nc(nc5[nH]c(n2)c2cc(Oc6ccc(CC=C)cc6OC)c(Oc6ccc(CC=C)cc6OC)cc52)-c2cc(Oc5ccc(CC=C)cc5OC)c(Oc5ccc(CC=C)cc5OC)cc2-4)-c2cc(Oc4ccc(CC=C)cc4OC)c(Oc4ccc(CC=C)cc4OC)cc2-3)c(OC)c1 to decrease its QED value.,C=CCc1ccc(Oc2cc3c(cc2Oc2ccc(CC=C)cc2OC)-c2nc-3nc3nc([nH]c4nc(nc5[nH]c(n2)c2cc(Oc6ccc(CC=C)cc6OC)c(Oc6ccc(CC=C)cc6OC)cc52)-c2cc(Oc5ccc(CC=C)cc5OC)c(Oc5ccc(CC=C)cc5OC)cc2-4)-c2cc(Oc4ccc(CC=C)c(C(=O)O)c4OC)c(Oc4ccc(CC=C)cc4OC)cc2-3)c(OC)c1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCN(Cc1nc(-c2ccccc2)no1)c1ccccc1
BondNum,"Please generate a molecule composed of 14 single bonds, 3 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",COc1ccc(NC(=O)CN(Cc2ccccc2)c2cccc(C)c2)cc1S(=O)(=O)N(C)C
FunctionalGroup,"There is a molecule with 1 benzene ring group, 5 ketone groups, and 1 halo group.",O=C(Cl)C(=O)C(=O)C(=O)C(=O)C(=O)c1ccccc1
AddComponent,Modify the molecule COC(=O)N1CC[NH+](Cc2noc(-c3cccc(C)c3)n2)CC1 by adding a hydroxyl.,COC(=O)N1CC[NH+](Cc2noc(-c3ccc(O)c(C)c3)n2)CC1
SubComponent,Modify the molecule halo by substituting a O=C(COc1ccc(Br)cc1Cl)NCCN1C(=O)CSC1=O with a thiol.,O=C(COc1ccc(S)cc1Cl)NCCN1C(=O)CSC1=O
DelComponent,Remove a benzene ring from the molecule Cc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc(C(=O)Nc3cc(C(C)(C)C)[nH]n3)cs2)CC1.,Cc1oncc1C(=O)N1CCC(c2nc(C(=O)Nc3cc(C(C)(C)C)[nH]n3)cs2)CC1
LogP,Modify the molecule COCCNCc1[nH]c(-c2cc(F)c(C)cc2F)c[nH+]1 to have a higher LogP value.,COCCNCc1[nH]c(-c2cc(F)c(C)cc2F)c(-c2ccccc2)[nH+]1
MR,Please optimize the molecule CCC(C)C(NC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-] to have a higher MR value.,CC(=O)CC(NC(=O)C(NC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(C)CC)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]
QED,Please modify the molecule O=C(O)C[Te]CC(=O)O to decrease its QED value.,N#CC[Te]CC(=O)O
AtomNum,"Please generate a molecule with 24 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cn1cc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)c2ccccc21
BondNum,"The molecule has 15 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",Cc1[nH]c2ccc(F)cc2c1CC(=O)NC1C[NH+]2CCC1CC2
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 5 amide groups, and 2 halo groups.",CCCNC(=O)c1cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)N4CCCCC4)ccc3Cl)CC2)ccc1Cl
AddComponent,Please add a nitrile to the molecule CCC(C)Nc1ccc(C(=O)[O-])cc1Cl.,CC(CCC#N)Nc1ccc(C(=O)[O-])cc1Cl
SubComponent,Substitute a hydroxyl in the molecule CCCCc1ccc(Oc2ccccc2O)c(CCCC)c1CCCC with a nitrile.,CCCCc1ccc(Oc2ccccc2C#N)c(CCCC)c1CCCC
DelComponent,Remove a CC1(C)OC(=O)C(Cc2ccccc2)=C1[O-] from the molecule benzene ring.,CC1=C([O-])C(C)(C)OC1=O
LogP,Please optimize the molecule COc1cc(NC(C(=O)c2cn(C)c3ccccc23)c2ccccc2)cc[nH+]1 to have a lower LogP value.,COc1cc(C(C(=O)c2cn(C)c3ccccc23)c2ccccc2)cc[nH+]1
MR,Optimize the molecule CCCOC1C([NH2+]C)CC1Oc1ccc([N+](=O)[O-])c(Cl)c1 to have a lower MR value.,CCCOC1C([NH2+]C)CC1Oc1ccc([N+](=O)[O-])cc1
QED,Modify the molecule COCCN(CCO)C(=O)c1ccc(N)cc1 to decrease its QED value.,COCCN(CCO)C(N)=O
AtomNum,"The molecule is composed of 11 carbon atoms, 1 nitrogen atom, 1 bromine atom, and 1 silicon atom.",C[Si](C)(C)N(CCBr)c1ccccc1
BondNum,"Please generate a molecule consisting 17 single bonds, 2 double bonds, and 11 rotatable bonds.",CCCC(CC[NH3+])CCC(=O)N(CC(N)=O)CC(C)C
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 2 hydroxyl groups, 2 amide groups, 1 nitro group, and 1 borane group.",CCCC(=Cc1ccc(O)cc1)CCC1OB(O)CC2C1=C(COC)CC1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C12
AddComponent,Modify the molecule [NH3+]C1CCCCNc2nc(ncc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)NCC=CC=CCNC1=O by adding a hydroxyl.,[NH3+]C1CCCCNc2nc(ncc2C(=O)NC2CC[NH+](Cc3ccccc3)C(O)C2)NCC=CC=CCNC1=O
SubComponent,Modify the molecule hydroxyl by substituting a CC(=CCO)c1ccccc1C(C)C with a thiol.,CC(=CCS)c1ccccc1C(C)C
DelComponent,Please remove a amine from the molecule CNc1cccc(C(C)O)n1.,Cc1cccc(C(C)O)n1
LogP,Please optimize the molecule CCCC(Br)C1=CCC(C(N)=O)(S(=O)(=O)[O-])C=C1Cl to have a lower LogP value.,CC(=O)C(CCC)C1=CCC(C(N)=O)(S(=O)(=O)[O-])C=C1Cl
MR,Please optimize the molecule Cc1cc(Cl)ccc1C#CCCCC1(S(=O)(=O)c2ccc(I)cc2)SC(=O)[N-]C1=O to have a lower MR value.,Cc1ccccc1C#CCCCC1(S(=O)(=O)c2ccc(I)cc2)SC(=O)[N-]C1=O
QED,Modify the molecule CC(C[NH+]1CCN(c2ccccc2)CC1)C1(O)CCCCC1c1ccccc1 to have a lower QED value.,CC(C[NH+]1CCN(c2ccccc2)CC1O)C1(O)CCCCC1c1ccccc1
AtomNum,There is a molecule with 54 carbon atoms.,CC(C)(C)C#CC#Cc1c(C#CC#CC(C)(C)C)c(C#CC#CC(C)(C)C)c(C#CC#CC(C)(C)C)c(C#CC#CC(C)(C)C)c1C#CC#CC(C)(C)C
BondNum,"There is a molecule composed of 13 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1cnc(C)c(NCC2(c3ccccc3Cl)CCOCC2)n1
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 1 ketone group, 2 amine groups, and 1 nitrile group.",N#Cc1cc(N)ccc1Nc1ccc(C(=O)c2ccccc2)cc1
AddComponent,Modify the molecule Cc1cc2[nH]c(N)nc2c2cccnc12 by adding a amine.,Cc1cc2[nH]c(N)nc2c2c(N)ccnc12
SubComponent,Please substitute a halo in the molecule CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Br)cc32)c1 with a aldehyde.,CC(=O)c1ccc2c3ccccc3n(-c3cc(C(C)(C)C)ccn3)c2c1
DelComponent,Modify the molecule halo by removing a C#CCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1.,C#CCNC(=O)c1cccc(S(N)(=O)=O)c1
LogP,Modify the molecule CC1CC(=O)NC(C(=O)NCc2nccn2C)C1 to increase its LogP value.,CC1CC1C(=O)NCc1nccn1C
MR,Modify the molecule CCC1(CC)CN(c2ccc(OC(C)C)cc2)C(C)C[NH2+]1 to have a lower MR value.,CCC1(CC)CN(OC(C)C)C(C)C[NH2+]1
QED,Modify the molecule COc1cc(OC)cc(-c2c(CC#N)nnc(Cl)c2-c2c(F)cccc2F)c1 to have a lower QED value.,COc1cc(OCO)cc(-c2c(CC#N)nnc(Cl)c2-c2c(F)cccc2F)c1
AtomNum,"The molecule is composed of 13 carbon atoms, and 10 oxygen atoms.",COC1OC(C(=O)OC(C)=O)C(O)C(OC(C)=O)C1OC(C)=O
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",Cc1n[nH]c(C)c1NC(=O)C(C)CCC[NH3+]
FunctionalGroup,The molecule has and 1 amide group.,Cc1ccnc(-c2cncc(C(N)=O)c2)c1
AddComponent,Please add a amine to the molecule Cc1c(C(=O)NCC2(C(=O)[O-])CCC(C)CC2)cnn1C.,Cc1c(C(=O)NCC2(C(=O)[O-])CCC(C)C(N)C2)cnn1C
SubComponent,Modify the molecule halo by substituting a C[NH+]=C(NCc1ccccc1Cl)NCC1CCN(C(=O)OC(C)(C)C)CC1 with a hydroxyl.,C[NH+]=C(NCc1ccccc1O)NCC1CCN(C(=O)OC(C)(C)C)CC1
DelComponent,Remove a amine from the molecule COc1ccc(Cn2cc(CN)[nH+]c2C)cc1C(C)C.,COc1ccc(Cn2cc(C)[nH+]c2C)cc1C(C)C
LogP,Modify the molecule CCCc1nc(N(C)C)sc1C[NH2+]CC(C)C to have a higher LogP value.,CCC(C#N)c1nc(N(C)C)sc1C[NH2+]CC(C)C
MR,Optimize the molecule O=C([O-])COc1cc(Br)c(Oc2ccc3[nH]cc(S(=O)(=O)c4ccc(Cl)cc4)c3c2)c(Br)c1 to have a lower MR value.,O=C([O-])COc1cc(Br)c(Oc2ccc3[nH]cc(S(=O)(=O)c4ccccc4)c3c2)c(Br)c1
QED,Please optimize the molecule COc1ccc(Br)c(C)c1C([NH3+])CCO to have a lower QED value.,COc1ccc(Br)c(C)c1C([NH3+])CCC(=O)[OH]
AtomNum,"There is a molecule with 42 carbon atoms, 9 oxygen atoms, 9 nitrogen atoms, and 1 sulfur atom.",CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C([NH3+])CCSC)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)[O-]
BondNum,"There is a molecule with 13 single bonds, 2 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",Cn1c(Cc2cccs2)nnc1SCC(=O)c1cccc(N2CCCC2=O)c1
FunctionalGroup,There is a molecule with and 1 sulfide group.,CCC[NH2+]C(Cc1ccc(CC)cn1)c1snnc1C
AddComponent,Add a benzene ring to the molecule [NH3+]C1COc2c(F)ccc(I)c21.,[NH3+]C1(c2ccccc2)COc2c(F)ccc(I)c21
SubComponent,Modify the molecule halo by substituting a Cc1nc(Cl)c(-n2cc(C(N)=O)cn2)nc1C with a carboxyl.,Cc1nc(C(=O)[OH])c(-n2cc(C(N)=O)cn2)nc1C
DelComponent,Please remove a CC=CC=CC1[NH2+]CCc2c1cccc2C(F)(F)F from the molecule halo.,CC=CC=CC1[NH2+]CCc2c(C(F)F)cccc21
LogP,Modify the molecule C=CCCCc1nc2cc(N(CCC)CCCl)ccc2n1C to decrease its LogP value.,C=CCCCc1nc2cc(N(CCC)CCCl)ccc2n1CO
MR,Please optimize the molecule Cc1nnc2sc(C(=O)NCc3ccc(OC(C)F)cn3)c(N)c2c1C to have a lower MR value.,Cc1nnc2sc(C(=O)NCc3ccc(OC(C)F)cn3)cc2c1C
QED,Please optimize the molecule COCCOCCOc1ccc(C[NH2+]C(C)(C)C)cc1F to have a lower QED value.,CC(C)(C)[NH2+]Cc1ccc(OCCOCCOCCC=O)c(F)c1
AtomNum,"The molecule has 25 carbon atoms, 7 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(Cc1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1)[NH2+]CC(O)c1cc(O)cc(O)c1
BondNum,"The molecule contains 18 single bonds, 4 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCN(CC)S(=O)(=O)c1ccc(N2CCC(NC(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1
FunctionalGroup,The molecule is composed of and 1 amine group.,CCCC(CC)[NH2+]C1CCNC1
AddComponent,Modify the molecule O=S1(=O)N=C(CN2CCC[NH2+]CC2)Nc2ccc(-c3cccs3)cc21 by adding a amine.,Nc1cc2c(cc1-c1cccs1)S(=O)(=O)N=C(CN1CCC[NH2+]CC1)N2
SubComponent,Please substitute a halo in the molecule NS(=O)(=O)c1ccc(NC(=O)CCl)c(I)c1 with a thiol.,NS(=O)(=O)c1ccc(NC(=O)CS)c(I)c1
DelComponent,Remove a C[NH+]=C(NCCNc1ncccc1C(F)(F)F)N1CCC(COCc2ccccc2)C1 from the molecule benzene ring.,C[NH+]=C(NCCNc1ncccc1C(F)(F)F)N1CCC(COC)C1
LogP,Please modify the molecule CSc1[nH+]cc(C(=O)N(C)Cc2ccccc2F)n1-c1ccc(F)cc1 to increase its LogP value.,CC(=O)c1ccccc1CN(C)C(=O)c1c[nH+]c(SC)n1-c1ccc(F)cc1
MR,Please modify the molecule COc1ccc(-n2c(=O)n(CC(=O)NCc3ccc(F)cc3F)c3cccnc32)cc1 to increase its MR value.,COc1ccc(-n2c(=O)n(CC(=O)NCc3ccc(NO)cc3F)c3cccnc32)cc1
QED,Optimize the molecule C[n+]1cnc(C=C2Sc3ccccc3N2CCCCS(=O)(=O)O)c2c1ncn2CCCI to have a higher QED value.,C[n+]1cnc(C=C2Sc3ccccc3N2CCCC[SH](=O)=O)c2c1ncn2CCCI
AtomNum,"The molecule consists of 12 carbon atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",C[NH+]1CCCC(Nc2cc(Br)ccc2F)C1
BondNum,"The molecule contains 9 single bonds, 1 triple bond, 6 rotatable bonds, and 12 aromatic bonds.",CCC[NH+](Cc1ccc(C#N)cc1)Cc1ccccc1N
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 1 thioether group, and 2 sulfide groups.",COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3OC)nc3sc4c(c3c2=O)CCCC4)cc1
AddComponent,Modify the molecule OCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 by adding a benzene ring.,OCCCSc1nnc(C[NH+]2CCC(c3ccccc3)CC2)n1-c1ccc(F)cc1
SubComponent,Modify the molecule halo by substituting a CCCC(Cc1ccc(Br)cc1Cl)NN with a aldehyde.,CC(=O)c1ccc(CC(CCC)NN)c(Cl)c1
DelComponent,Remove a hydroxyl from the molecule C=C(C)C(Oc1nc2ccccc2n1CCOCCOCCOC)C(O)C(C)C.,C=C(C)C(CC(C)C)Oc1nc2ccccc2n1CCOCCOCCOC
LogP,Please optimize the molecule COc1ccc(CNc2nc(CCC(=O)Cl)nc3sc4c(c23)CCCC4)cc1Cl to have a lower LogP value.,COc1ccc(CNc2nc(CCC(=O)C#N)nc3sc4c(c23)CCCC4)cc1Cl
MR,Optimize the molecule COC(=O)C(C[NH2+]CC1(C)CCCS1)NC(C)=O to have a higher MR value.,COC(=O)C(C[NH2+]CC1(C)CCC(c2ccccc2)S1)NC(C)=O
QED,Modify the molecule COc1ccc(NC(=S)NC2CC(C)(C)Oc3ccc(Cl)cc32)cc1 to decrease its QED value.,COc1ccc(NC(=S)C2CC(C)(C)Oc3ccc(Cl)cc32)cc1
AtomNum,"Please generate a molecule with 11 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",O=[N+]([O-])c1cncc(Br)c1N1CCCC(CO)C1
BondNum,"The molecule consists of 11 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",OCCC1(C[NH2+]Cc2cccc(O)c2)CC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, and 2 halo groups.",COc1cc(C[NH2+]C(C)Cc2ccccc2F)cc(Cl)c1OCC(N)=O
AddComponent,Modify the molecule CC(C)C(NC(=O)C(CCC(=O)[O-])NC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-] by adding a benzene ring.,CC(C)C(NC(=O)C(CCC(=O)[O-])NC(=O)C([NH3+])Cc1c(-c2ccccc2)[nH]c2ccccc12)C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-]
SubComponent,Substitute a Clc1nc(Nc2ccc(-c3cn[nH]c3)cc2)c2ccncc2n1 in the molecule halo with a nitro.,ONc1nc(Nc2ccc(-c3cn[nH]c3)cc2)c2ccncc2n1
DelComponent,Remove a amide from the molecule CN1C(=O)CC2(CC(=O)N(Cc3ccccc3)C2)C1=O.,CC(=O)CC1CN(Cc2ccccc2)C1=O
LogP,Please modify the molecule CCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cc1 to decrease its LogP value.,CCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1
MR,Please modify the molecule O=C(Cl)C1(c2c(F)c(F)c(F)c(F)c2F)CCC1 to decrease its MR value.,ONC(=O)C1(c2c(F)c(F)c(F)c(F)c2F)CCC1
QED,Modify the molecule C=C(C[NH2+]C)Cn1cc(-c2ccccc2)cn1 to have a lower QED value.,C=C(C[NH2+]C)Cn1cccn1
AtomNum,"There is a molecule with 25 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cc1cc(N2CC([NH3+])CC2=O)ccc1-c1c[nH+]c2ccc(NC(C)c3ccccc3)nn12
BondNum,"Please generate a molecule consisting 7 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cc1nn(C)c(NS(=O)(=O)c2cccc(Cl)c2)c1N
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 amine group, and 2 halo groups.",COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCC(N)=O
AddComponent,Add a benzene ring to the molecule O=C(Cn1nc(C2CC2)nc1C1CC1)NC1CCCc2ccccc21.,O=C(Cn1nc(C2CC2)nc1C1CC1)NC1CCCc2c(-c3ccccc3)cccc21
SubComponent,Modify the molecule halo by substituting a Cc1ccc(NC(=O)C[NH2+]CCc2ccccc2F)cc1 with a nitrile.,Cc1ccc(NC(=O)C[NH2+]CCc2ccccc2C#N)cc1
DelComponent,Remove a amide from the molecule Cc1nc2c(=O)n(c1C)O[Ga]1On3c(C)c(C)nc(c3=O)CCC(=O)NC(CC(C)C)C(=O)NCCC(=O)NCCN(CCNC(=O)CCNC(=O)C(CC(C)C)NC(=O)CC2)CCNC(=O)CCNC(=O)C(CC(C)C)NC(=O)CCc2nc(C)c(C)n(c2=O)O1.,Cc1nc2c(=O)n(c1C)O[Ga]1On3c(C)c(C)nc(c3=O)CCC(=O)NC(CC(C)C)C(=O)NCCC(=O)NCCN(CCNC(=O)CCNC(=O)C(CC(C)C)NC(=O)CCc3nc(C)c(C)n(c3=O)O1)CCNC(=O)CC(CC(C)C)NC(=O)CC2
LogP,Modify the molecule CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2c1CCCC2 to decrease its LogP value.,CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)NO)cc2)sc2c1CCCC2
MR,Please modify the molecule CCc1ccc(NC(=O)Nc2cccc(S(=O)(=O)[O-])c2)cc1 to decrease its MR value.,CCNC(=O)Nc1cccc(S(=O)(=O)[O-])c1
QED,Optimize the molecule O=C(C1CCCC(C(F)(F)F)C1)N1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 to have a lower QED value.,O=C(O)c1cc2nc(C[NH+]3CCN(C(=O)C4CCCC(C(F)(F)F)C4)CC3)cn2cc1Cl
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",Cc1ccccc1CCNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
BondNum,"Please generate a molecule with 13 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)OC(=O)NC1=C(c2ccccc2)CCCC1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 ester group, and 1 amide group.",COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C=Cc1cccc(Oc2ccccc2)c1
AddComponent,Please add a benzene ring to the molecule CCc1ccc(-n2c(=O)c3c(n2CC(=O)Nc2ccc(C(C)C)cc2)Oc2ccc(Cl)cc2C3)cc1.,CCc1ccc(-n2c(=O)c3c(n2CC(=O)Nc2ccc(C(C)C)cc2)Oc2ccc(Cl)cc2C3c2ccccc2)cc1
SubComponent,Modify the molecule halo by substituting a Cc1cc(Oc2ccc(Br)c(C)c2)nc(Cl)n1 with a hydroxyl.,Cc1cc(Oc2ccc(O)c(C)c2)nc(Cl)n1
DelComponent,Remove a COc1ccc(-c2nc(-c3ccccc3)c3ncn(Cc4ccccc4)c3n2)cc1 from the molecule benzene ring.,COc1ccc(-c2nc(-c3ccccc3)c3ncn(C)c3n2)cc1
LogP,Please optimize the molecule CCCCCCSC(=S)N(CCCCCC)SN(CC)P(=O)(SC(C)CC)N(CC)C(=O)CC(C)C(=O)OCC to have a lower LogP value.,CCCCCCSC(=S)N(CCCCCC)SN(CC)[PH](=O)(CC)(SC(C)CC)C(C)C(=O)OCC
MR,Please modify the molecule CC(C(=O)NCc1cn2ccsc2[nH+]1)N(c1ccccc1)S(C)(=O)=O to decrease its MR value.,CC(NS(C)(=O)=O)C(=O)NCc1cn2ccsc2[nH+]1
QED,Modify the molecule CCCNc1c2c([nH+]c3c(I)cccc13)CCC2 to decrease its QED value.,CCCc1c2c([nH+]c3c(I)cccc13)CCC2
AtomNum,"The molecule is composed of 18 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",COc1cc(C=C(C#N)C(=O)NC2CCCCC2C)cc([N+](=O)[O-])c1[O-]
BondNum,"There is a molecule consisting of 4 single bonds, 2 rotatable bonds, and 16 aromatic bonds.",Cc1cccc(Cn2ccc3cc(N)ccc32)n1
FunctionalGroup,Please generate a molecule with and 2 ketone groups.,C=CC(C)(C)n1cc(CC2=C([O-])C(=O)C(Cc3c[nH]c4c(CC=C(C)C)cccc34)=C([O-])C2=O)c2ccccc21
AddComponent,Please add a aldehyde to the molecule C#CCOc1c(Br)cc(C=C2SC(Nc3ccccc3)N(C3CCCCC3C)C2=O)cc1OC.,C#CCOc1c(Br)cc(C=C2SC(CC=O)(Nc3ccccc3)N(C3CCCCC3C)C2=O)cc1OC
SubComponent,Modify the molecule halo by substituting a COCC1C[NH2+]Cc2c(F)cccc21 with a thiol.,COCC1C[NH2+]Cc2c(S)cccc21
DelComponent,Remove a halo from the molecule COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCc1ccc(OC)cc1.,COC(=O)c1c(-c2ccccc2)csc1NC(=O)CCc1ccc(OC)cc1
LogP,Please modify the molecule Cc1ccc(C[NH+]2CCN(C(=O)c3ccn(COc4ccccc4Cl)n3)CC2)cc1 to decrease its LogP value.,Cc1ccc(C[NH+]2CCN(C(=O)c3ccn(COc4ccccc4C(=O)[OH])n3)CC2)cc1
MR,Please optimize the molecule CC(=O)c1ccc(N2CCN(C(=O)c3cccn3Cc3cccnc3)CC2)c(F)c1 to have a higher MR value.,CC(=O)c1ccc(N2CCN(C(=O)c3cccn3Cc3cccnc3)CC2)cc1
QED,Modify the molecule O=C([O-])c1ccnc(Oc2ccc(Br)cc2Cl)c1F to have a higher QED value.,O=C([O-])c1ccnc(Oc2ccc(O)cc2Cl)c1F
AtomNum,"Please generate a molecule composed of 37 carbon atoms, 10 oxygen atoms, 4 sulfur atoms, and 6 fluorine atoms.",CCC12C(=C3C(=C4c5ccc(-c6ccc(S(=O)(=O)[O-])cc6)cc5S(=O)(=O)C41CC)C(F)(F)C(F)(F)C3(F)F)c1ccc(-c3ccc(S(=O)(=O)[O-])cc3)cc1S2(=O)=O
BondNum,"The molecule has 12 single bonds, 2 double bonds, 6 rotatable bonds, and 5 aromatic bonds.",CCCC(C)NC(=O)COC(=O)c1cc(N)cn1C
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 sulfide group.",O=C1[N-]C(=O)C(=Cc2nccc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)S1
AddComponent,Please add a benzene ring to the molecule O=C(Nc1ccccc1CBr)C1CC1c1ccccc1.,O=C(Nc1cc(-c2ccccc2)ccc1CBr)C1CC1c1ccccc1
SubComponent,Modify the molecule O=C(Nc1ccc(F)cc1)C1CCCNN1 by substituting a halo with a nitrile.,N#Cc1ccc(NC(=O)C2CCCNN2)cc1
DelComponent,Modify the molecule amine by removing a CC(=O)c1sc(-c2nc(C)cs2)cc1N.,CC(=O)c1ccc(-c2nc(C)cs2)s1
LogP,Modify the molecule CSc1cc([O-])c2ccsc2c1C#N to have a higher LogP value.,CSc1cc([O-])c2ccsc2c1S
MR,Please optimize the molecule Cc1cc(Br)c(C)c(Cl)c1O[Si](C(C)C)(C(C)C)C(C)C to have a lower MR value.,Cc1cc(C#N)c(C)c(Cl)c1O[Si](C(C)C)(C(C)C)C(C)C
QED,Please optimize the molecule N#CCc1cc(C[NH3+])ncc1C(F)F to have a lower QED value.,N#CCc1cc(C[NH3+])ncc1C(F)S
AtomNum,"The molecule consists of 23 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCOc1ccc(CN(C)C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1
BondNum,"The molecule is composed of 19 single bonds, 4 double bonds, 11 rotatable bonds, and 12 aromatic bonds.",CCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
FunctionalGroup,The molecule has and 1 benzene ring group.,C[NH+]1CCC([NH+]2C=C(C(=O)[O-])c3ccccc3C2c2ccccc2)CC1
AddComponent,Modify the molecule COc1cccc(C2C(=C([O-])c3cc(OC)ccc3OC)C(=O)C(=O)N2c2cccc(C)c2C)c1 by adding a benzene ring.,COc1ccc(OC)c(C([O-])=C2C(=O)C(=O)N(c3cccc(C)c3C)C2c2cc(OC)ccc2-c2ccccc2)c1
SubComponent,Modify the molecule hydroxyl by substituting a CCOc1ccc(NC2=[NH+]C(=S)SC2=Cc2cccc(O)c2)cc1 with a aldehyde.,CC(=O)c1cccc(C=C2SC(=S)[NH+]=C2Nc2ccc(OCC)cc2)c1
DelComponent,Please remove a Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(N)cc(=O)n1C from the molecule amine.,Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc(=O)n1C
LogP,Modify the molecule CC(C)[NH2+]CCn1nnnc1SCOCC(F)(F)F to have a lower LogP value.,CC(C)([NH2+]CCn1nnnc1SCOCC(F)(F)F)C(=O)O
MR,Modify the molecule CN(C(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1 to increase its MR value.,CC(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c(Cl)c1
QED,Modify the molecule CC1CC1C(=O)Nc1cccc(C(=O)N2CCN3CCOc4cccc2c43)c1 to have a lower QED value.,O=C(Nc1cccc(C(=O)N2CCN3CCOc4cccc2c43)c1)C1CC1Cc1ccccc1
AtomNum,"The molecule consists of 14 carbon atoms, 3 nitrogen atoms, 2 chlorine atoms, and 2 bromine atoms.",ClCCc1nc2cc(Br)cnc2n1-c1cc(Br)ccc1Cl
BondNum,"There is a molecule consisting of 12 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",Cn1nc(C(=O)N(Cc2cccs2)CC2CCCO2)c2ccccc2c1=O
FunctionalGroup,"The molecule contains 1 amide group, 1 amine group, 1 thioether group, and 1 sulfide group.",CCCCCCCCCCCC(=O)n1nc(SC)c(C(N)=O)c1N
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(-c2cc(C(=O)N(C)CCC(C)C)on2)cc1.,Cc1ccc(-c2cc(C(=O)N(C)C(O)CC(C)C)on2)cc1
SubComponent,Please substitute a halo in the molecule Nc1cc(N(CCc2cccc(F)c2)Cc2ccccc2)nc2nc(-c3ccco3)nn12 with a nitro.,Nc1cc(N(CCc2cccc(NO)c2)Cc2ccccc2)nc2nc(-c3ccco3)nn12
DelComponent,Please remove a benzene ring from the molecule CC(C(=O)[O-])N1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)C1c1ccc(C#N)cc1.,CC(C(=O)[O-])N1C(=O)N(C(F)(F)F)C2=C(C(=O)CCC2)C1c1ccc(C#N)cc1
LogP,Please modify the molecule [NH3+]CCCOC1CCN(C(=O)CCOCC(F)F)CC1 to decrease its LogP value.,[NH3+]CCCOC1CCN(C(=O)CCOCCF)CC1
MR,Please optimize the molecule Cc1ccc(C(C[NH+]2CCOCC2)NC(=O)c2ccc(-n3cnnn3)cc2)cc1 to have a higher MR value.,Cc1ccc(C(C[NH+]2CCOCC2)NC(=O)c2ccc(-n3cnnn3)c(O)c2)cc1
QED,Modify the molecule CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)c1 to have a lower QED value.,CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2NO)c1
AtomNum,"The molecule contains 20 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",C#CCn1nc(CNC(=O)c2ccc(C#N)cc2)c2ccccc2c1=O
BondNum,"The molecule contains 11 single bonds, 3 double bonds, 8 rotatable bonds, and 29 aromatic bonds.",O=C(NC(Cc1ccccc1)C(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)OCc1ccccc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",CCC1C(=O)NCCN1S(=O)(=O)c1cc(N)c(F)cc1C
AddComponent,Please add a hydroxyl to the molecule COC(=O)c1cccc(NC(=O)C2CC(=O)N(C(C)C)C2)c1O.,COC(=O)c1cccc(NC(=O)C2(O)CC(=O)N(C(C)C)C2)c1O
SubComponent,Please substitute a CCC(C#N)N(C)CCc1ccncc1 in the molecule nitrile with a nitro.,CCC(NO)N(C)CCc1ccncc1
DelComponent,Remove a amide from the molecule CC(C)C(SCCC[NH+]1CCOCC1)C(=O)N(C)C(C)C.,CC(C)[SH](CCC[NH+]1CCOCC1)C(C)(C)C
LogP,Modify the molecule COC(C)(C)Cc1nnc(S(=O)(=O)Cl)n1CC(C)C to decrease its LogP value.,COC(C)(C)Cc1nnc(S(=O)(=O)Cl)n1C(C(=O)O)C(C)C
MR,Optimize the molecule C=C(F)NC(=CC(=N)F)Nc1ccc(S(=O)(=O)[O-])c(N)c1 to have a lower MR value.,C=C(F)NC(=CC(=N)F)NNS(=O)(=O)[O-]
QED,Please optimize the molecule Cn1nc(C(=O)Nc2ccccc2C#N)cc1-c1cccs1 to have a lower QED value.,Cn1nc(C(=O)Nc2ccccc2C#N)cc1-c1ccc(O)s1
AtomNum,"There is a molecule composed of 14 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CCCCN(C)c1nnc(Cc2ccc(F)cc2)s1
BondNum,"The molecule contains 17 single bonds, 4 double bonds, 12 rotatable bonds, and 12 aromatic bonds.",CCOP(=O)(Cc1ccc(C(=O)NC(Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1)OCC
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 3 amide groups.",COc1ccc(CNC(=O)C(C)NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1
AddComponent,Modify the molecule CCC(CC)(C(=O)NN1C(C)CCCC1C)C(N)=S by adding a hydroxyl.,CCC(CCO)(C(=O)NN1C(C)CCCC1C)C(N)=S
SubComponent,Modify the molecule COC(=O)CC(O)CC(O)C=Cc1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c(C(=O)N(OCc2ccccc2)c2ccccc2)n1C(C)C by substituting a hydroxyl with a nitro.,COC(=O)CC(CC(O)C=Cc1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c(C(=O)N(OCc2ccccc2)c2ccccc2)n1C(C)C)NO
DelComponent,Modify the molecule aldehyde by removing a CC1=C(C)SC(=CC=CC=CC=O)S1.,CC=CC=C1SC(C)=C(C)S1
LogP,Modify the molecule Cc1ccccc1N(C)S(=O)(=O)CBr to decrease its LogP value.,CC(=O)CS(=O)(=O)N(C)c1ccccc1C
MR,Modify the molecule Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCc1ccccc1Cl to have a lower MR value.,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCc1ccccc1
QED,Modify the molecule COC(=O)c1cc(C)c(OC(=O)c2cccc(Cl)c2)c(C)c1 to have a lower QED value.,Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1cccc(Cl)c1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccsc1-c1cccc(NC(=O)C(=O)NCC2(O)CCC2)c1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(Oc2ccc(CO)cn2)c([N+](=O)[O-])c1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amine groups, and 3 halo groups.",NC(=[NH+]Cc1c(F)cc(F)cc1F)N1CCN(c2ncccn2)CC1
AddComponent,Please add a benzene ring to the molecule COc1cccc(NC(=O)COC(=O)C2CC(=O)N(NC(=O)c3c(OC)cccc3OC)C2)c1.,COc1cc(NC(=O)COC(=O)C2CC(=O)N(NC(=O)c3c(OC)cccc3OC)C2)ccc1-c1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1ccc(NC(=O)C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1C with a thiol.,Cc1ccc(NC(=O)C[NH+]2CCN(Cc3ccc(S)s3)CC2)cc1C
DelComponent,Remove a nitrile from the molecule N#Cc1ccccc1NCc1cccc(Br)c1.,Brc1cccc(CNc2ccccc2)c1
LogP,Modify the molecule CS(=O)(=O)c1cccc(NC2CC[NH+]3CCCC3C2)c1 to have a lower LogP value.,CS(=O)(=O)c1cccc(NC2CC3CCC[NH+]3C(C(=O)O)C2)c1
MR,Please modify the molecule CC(Cn1cccn1)Nc1c(F)cc(N)cc1F to increase its MR value.,CC(Cn1cccn1)Nc1ccc(N)cc1F
QED,Modify the molecule CCCN(C(=O)c1cnc2ccc(C)cn2c1=O)C1CC[NH2+]CC1 to have a lower QED value.,CCCN(C(=O)c1cnc2ccc(Cc3ccccc3)cn2c1=O)C1CC[NH2+]CC1
AtomNum,"There is a molecule consisting of 28 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",O=C(CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O)NCCc1c[nH]c2ccccc12
BondNum,"Please generate a molecule composed of 12 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(OC(C)=O)cc1
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,C[NH2+]C1CCCN(C(=O)Cc2cc(C)[nH]n2)C1
AddComponent,Modify the molecule CC[NH+]1CCC(O)(C(=O)N2CC[NH2+]CC2)CC1 by adding a benzene ring.,CC[NH+]1CCC(O)(C(=O)N2CC[NH2+]CC2c2ccccc2)CC1
SubComponent,Please substitute a halo in the molecule O=C1c2ccc(F)cc2CCC2CCC(c3nc(-c4ccsc4)cs3)CN12 with a carboxyl.,O=C([OH])c1ccc2c(c1)CCC1CCC(c3nc(-c4ccsc4)cs3)CN1C2=O
DelComponent,Remove a CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3ccc(Br)cc3)c2s1 from the molecule benzene ring.,CCCN(CCC)c1nc2ncnc(SCC(=O)NBr)c2s1
LogP,Modify the molecule NC1C[NH2+]C(COc2cc(Cl)c(Cl)cc2C[NH3+])C1 to decrease its LogP value.,NC1C[NH2+]C(COc2cc(Cl)c(Cl)c(O)c2C[NH3+])C1
MR,Please optimize the molecule CCC(C)n1nccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C to have a lower MR value.,CCC(C)n1nccc1-c1(C)ccc(S(=O)(=O)N(CC)CC)c-1
QED,Optimize the molecule CC(Oc1ccc(Cl)cc1)C(=O)NC1CCCCCCCCCCC1 to have a higher QED value.,CC(Oc1ccc(C(=O)[OH])cc1)C(=O)NC1CCCCCCCCCCC1
AtomNum,"The molecule contains 29 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 3 fluorine atoms.",COc1ccc2ncc(C[NH3+])c(CCCC3(CC(=O)[O-])CC[NH+](CCNc4c(F)cc(F)cc4F)CC3)c2c1
BondNum,"There is a molecule consisting of 9 single bonds, 3 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",CNS(=O)(=O)c1ccc(C(=O)N(C)C(C)c2cc3ccccc3o2)cc1
FunctionalGroup,"Please generate a molecule composed of 4 benzene ring groups, and 1 amide group.",COc1cccc(C(=O)N(CCCc2ccccc2)Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c1
AddComponent,Add a benzene ring to the molecule Cc1ccc(F)cc1CC(NN)c1ncc[nH]1.,Cc1ccc(F)cc1CC(NN)(c1ccccc1)c1ncc[nH]1
SubComponent,Please substitute a hydroxyl in the molecule CC(CO)(CNC(=O)c1ccc(OCC(F)(F)F)nn1)Cc1ccccc1 with a halo.,CC(CI)(CNC(=O)c1ccc(OCC(F)(F)F)nn1)Cc1ccccc1
DelComponent,Remove a amide from the molecule CNC(=O)C1CCC[NH+](CC(C)(C)C(=O)NN)C1.,CC1CCC[NH+]1CC(C)(C)C(=O)NN
LogP,Optimize the molecule CCOc1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 to have a lower LogP value.,CCOc1ccc(NC(=O)CN(c2ccc(OCC)cc2O)S(C)(=O)=O)cc1
MR,Please optimize the molecule CC(C)(C)[Si](C)(C)OCc1cccc(NC(=O)c2[nH]nc3ncc(Br)cc23)c1N to have a higher MR value.,CC(C)(C)[Si](C)(C)OCc1cc(C(=O)O)cc(NC(=O)c2[nH]nc3ncc(Br)cc23)c1N
QED,Please modify the molecule COc1cc(N2CC[NH+](CCc3ccc4c(c3)OCO4)CC2)ccc1Br to decrease its QED value.,COc1cc(N2CC[NH+](CCc3cc4c(c(-c5ccccc5)c3)OCO4)CC2)ccc1Br
AtomNum,"The molecule contains 17 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 bromine atom.",O=C(Nc1ccccc1[N+](=O)[O-])c1nn(-c2ccc(Br)cc2)c(=O)cc1[O-]
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 6 rotatable bonds, and 16 aromatic bonds.",Cc1cc(NC(=O)CSc2nc(NC3CC3)c3ccccc3n2)no1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, 5 halo groups, 1 nitrile group, and 2 sulfone groups.",N#Cc1ccc(S(=O)(=O)C23CCC(NS(=O)(=O)C(F)(F)F)CC2COc2c(F)ccc(F)c23)cc1
AddComponent,Please add a hydroxyl to the molecule CC(C)CC(C[NH3+])(CC(C)C)N(C)C1CCCN(C)C1.,CC(C)CC(C[NH3+])(CC(C)CO)N(C)C1CCCN(C)C1
SubComponent,Modify the molecule hydroxyl by substituting a CS(=O)(=O)N1CCCC(CC(O)C2CC=CCC2)C1 with a halo.,CS(=O)(=O)N1CCCC(CC(F)C2CC=CCC2)C1
DelComponent,Please remove a hydroxyl from the molecule CCC[NH+](C)CCCC(O)(CC)C[NH3+].,CCC[NH+](C)CCCC(CC)C[NH3+]
LogP,Please modify the molecule CC(c1ccc(-c2ccccc2)c(F)c1)c1nc(N)no1 to increase its LogP value.,CC(=O)c1cc(C(C)c2nc(N)no2)ccc1-c1ccccc1
MR,Please modify the molecule C[NH+](C)CCc1ncc(Br)c(Cl)n1 to increase its MR value.,CC(=O)c1cnc(CC[NH+](C)C)nc1Cl
QED,Modify the molecule O=Cc1c(I)ccc2cncn12 to have a lower QED value.,O=Cc1cccc2cncn12
AtomNum,"There is a molecule with 31 carbon atoms, 7 oxygen atoms, 4 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1
BondNum,"There is a molecule consisting of 32 single bonds, 5 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",COc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)N(C)C)cc3C)CC2)cc1NC(=O)c1ccc(C)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, 1 ester group, 1 amine group, and 1 halo group.",COC(=O)c1cc(N)cc(Cl)c1N1CCC(CCO)C1
AddComponent,Add a hydroxyl to the molecule CCCCC(=O)CCCCC(=O)CCC[NH3+].,CCCCC(=O)CCCCC(=O)CC(O)C[NH3+]
SubComponent,Please substitute a nitrile in the molecule CC1(O)CC(C#N)(c2ccc(CO)cc2)C1 with a halo.,CC1(O)CC(Cl)(c2ccc(CO)cc2)C1
DelComponent,Modify the molecule C=C(C)CC(C)(C)CBr by removing a halo.,C=C(C)CC(C)(C)C
LogP,Optimize the molecule Cc1cccc(CCn2cncc2C[NH2+]CC(C)C)c1 to have a higher LogP value.,Cc1cccc(CCn2cncc2C[NH2+]CC(C)C)c1-c1ccccc1
MR,Please modify the molecule COc1ccc(CNc2nc(C)cc(NCc3ccc(F)cc3)n2)cc1 to increase its MR value.,COc1ccc(CNc2nc(Cc3ccccc3)cc(NCc3ccc(F)cc3)n2)cc1
QED,Please optimize the molecule CCCC(C=O)(CCCC=CCCC(C)=O)c1ccccc1Br to have a lower QED value.,CCCC(C=O)(CCCC=CCCC(C)=O)c1c(Br)cccc1-c1ccccc1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, and 1 sulfur atom.",CC(=O)CCc1sc2ccccc2c1C
BondNum,"Please generate a molecule composed of 8 single bonds, 3 double bonds, 1 rotatable bond, and 6 aromatic bonds.",O=C([O-])C=C1CCCc2ccccc2C1=O
FunctionalGroup,The molecule has and 2 hydroxyl groups.,N#[N+]c1c(O)n(CCCn2c(O)c([N+]#N)c3ccccc32)c2ccccc12
AddComponent,Please add a benzene ring to the molecule OCC1CCCC1[NH2+]C1CC2CCC1C2.,OCC1CCCC1([NH2+]C1CC2CCC1C2)c1ccccc1
SubComponent,Substitute a Cc1cccc(NC(=O)N2CCCC(C(=O)NC(C)c3ccc(Cl)c(Cl)c3)C2)c1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(C(C)NC(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1Cl
DelComponent,Modify the molecule halo by removing a FC1(F)Oc2ccc(NC3CCc4ccccc43)cc2O1.,FC1Oc2ccc(NC3CCc4ccccc43)cc2O1
LogP,Modify the molecule CCOc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 to have a lower LogP value.,CCOc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(C(=O)[OH])c1OCc1ccc(C(=O)[O-])cc1
MR,Modify the molecule CCCCCSc1ccc(S(=O)(=O)NC)c(N)c1 to have a higher MR value.,CCC(O)CCSc1ccc(S(=O)(=O)NC)c(N)c1
QED,Modify the molecule CCc1ccc(C(=O)CSc2nnc(-c3ccccc3F)o2)s1 to decrease its QED value.,CC(=O)c1ccccc1-c1nnc(SCC(=O)c2ccc(CC)s2)o1
AtomNum,"There is a molecule with 14 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",[NH3+]C(c1nc(CC2CCOC2)no1)c1ccccc1Cl
BondNum,"Please generate a molecule consisting 15 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",O=C(CC1CC[NH2+]CC1)CC1CCCc2ccccc21
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amine groups, and 1 sulfide group.",Cc1cccc(Sc2nc(C)cc(C)c2C(N)=[NH2+])c1
AddComponent,Please add a carboxyl to the molecule CCOC(=O)C1CCN(c2cc(Cl)ccc2C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1.,CCOC(=O)C1CCN(c2cc(Cl)ccc2C[NH+]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CC2C(=O)O)CC1
SubComponent,Modify the molecule halo by substituting a COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3F)C2c2ccc(OC(C)=O)cc2)cc1 with a hydroxyl.,COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(O)cc3F)C2c2ccc(OC(C)=O)cc2)cc1
DelComponent,Modify the molecule amine by removing a Cc1nc(N)ccc1C#Cc1c(-c2ccc(C(=O)N3CC[NH+](C4CCOCC4)CC3)c(F)c2)ccnc1C.,Cc1ncccc1C#Cc1c(-c2ccc(C(=O)N3CC[NH+](C4CCOCC4)CC3)c(F)c2)ccnc1C
LogP,Please optimize the molecule CC(C)C(c1ccc(F)cc1S(=O)(=O)C(F)(F)F)C(C)[NH3+] to have a higher LogP value.,CC(C)C(c1ccc(S)cc1S(=O)(=O)C(F)(F)F)C(C)[NH3+]
MR,Modify the molecule CC(=O)NCCn1c(N)nc2cccnc21 to decrease its MR value.,CCn1c(N)nc2cccnc21
QED,Please optimize the molecule CCC(CC(=O)[O-])NC(=O)N(C)CCC(C)O to have a lower QED value.,CCC(CC(=O)[O-])NC(=O)N(C)CC(N)C(C)O
AtomNum,"The molecule consists of 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 3 fluorine atoms.",O=C(CCC1CCCC[NH2+]1)Nc1ccccc1C(F)(F)F
BondNum,"The molecule is composed of 18 single bonds, 3 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCS(=O)(=O)N1CCC(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)CC1
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, and 3 halo groups.",CC(O)C1(CCCOCC(F)(F)F)CC1
AddComponent,Add a hydroxyl to the molecule COCC(C)(CC(=O)[O-])NC(=O)CCCc1cccs1.,COCC(C)(CC(=O)[O-])NC(=O)CCCc1ccc(O)s1
SubComponent,Modify the molecule Cc1cn(C(C)C)c2ncc(Cl)cc12 by substituting a halo with a hydroxyl.,Cc1cn(C(C)C)c2ncc(O)cc12
DelComponent,Modify the molecule amide by removing a N#CCCNC(=O)COc1ccc2c(c1)C(=O)CCC2.,N#CCCOc1ccc2c(c1)C(=O)CCC2
LogP,Please optimize the molecule COC(=O)C1(C(=C(C#N)C#N)c2ccc(OC)cc2)CC=CC1=O to have a higher LogP value.,COC(=O)C1(C(=CC#N)c2ccc(OC)cc2)CC=CC1=O
MR,Please optimize the molecule S=c1nc(SCc2nc(-c3ccc(Cl)cc3)no2)[nH]c2ccccc12 to have a lower MR value.,Oc1ccc(-c2noc(CSc3nc(=S)c4ccccc4[nH]3)n2)cc1
QED,Modify the molecule CCc1[nH]c(S(=O)(=O)N2CC(=O)NC(=O)C2)c[nH+]1 to increase its QED value.,CCc1[nH]c(S(=O)(=O)N2CC2=O)c[nH+]1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCn1ccnc1C1OCCCC1NC(=O)Cc1ccnn1C
BondNum,"Please generate a molecule consisting 54 single bonds, 6 double bonds, 16 rotatable bonds, and 34 aromatic bonds.",CC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)N1CCCC1c1[nH]c(-c2cc3c4c(c2)OCc2cc(-c5c[nH+]c(C6CCCN6C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OC(C)(C)C)c6ccccc6)[nH]5)cc(c2-4)OC3)c[nH+]1)c1ccccc1
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,COc1ccccc1[P+](=O)OC
AddComponent,Please add a nitrile to the molecule C#CCC1COc2cscc2OC1.,C#CCC1COc2cscc2OC1C#N
SubComponent,Modify the molecule COc1cc(C=CC(=O)OCC(=O)N(C)C(C)c2ccccc2)ccc1OC(F)F by substituting a halo with a nitrile.,COc1cc(C=CC(=O)OCC(=O)N(C)C(C)c2ccccc2)ccc1OC(F)C#N
DelComponent,Modify the molecule amine by removing a Cc1cc(C)n(-c2ccc(NCCNC(=O)c3ccc(OC(F)(F)F)cc3)nn2)n1.,Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc(OC(F)(F)F)cc3)nn2)n1
LogP,Modify the molecule CSc1ccc(C2C(C#N)=C([NH3+])N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)cc1 to increase its LogP value.,CSc1ccc(C2C=C([NH3+])N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)cc1
MR,Modify the molecule Cc1c(F)cccc1NC(C)c1ccnn1C to increase its MR value.,CC(Nc1cccc(F)c1CO)c1ccnn1C
QED,Modify the molecule CCCC[Si](C)(CCC(F)(F)F)OC to have a lower QED value.,CCCC[Si](C)(CCC(F)F)OC
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC1=C(C)CC2(C#N)C=CN(C)C(=O)C2C1
BondNum,"The molecule has 14 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccc(SCC2(CS)CCCCCC2)cc1
FunctionalGroup,The molecule is composed of and 1 sulfide group.,Cc1cc(-c2nnsc2C(=O)[O-])n(C)n1
AddComponent,Modify the molecule COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2C)cc1 by adding a amine.,COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3N)ccc2C)cc1
SubComponent,Please substitute a halo in the molecule CC(=O)C(C)(CC[NH3+])c1ccc(Cl)cc1 with a nitro.,CC(=O)C(C)(CC[NH3+])c1ccc(NO)cc1
DelComponent,Remove a CC(=Cc1cc(C)c(O)c(C)c1)CO from the molecule benzene ring.,CCC(O)=C(C)CO
LogP,Please optimize the molecule O=C(C1CCCS1)N1CCc2ccc(F)cc21 to have a higher LogP value.,O=C(C1CCCS1)N1CCc2ccc(S)cc21
MR,Modify the molecule CC(N)(C#N)CCOCC1CCOC1 to decrease its MR value.,CC(N)CCOCC1CCOC1
QED,Please optimize the molecule C=CCN(CNc1cccc(Cl)c1C)c1ncsn1 to have a lower QED value.,C=CCN(CNc1cccc(C(=O)[OH])c1C)c1ncsn1
AtomNum,"Please generate a molecule composed of 29 carbon atoms, 6 oxygen atoms, 6 nitrogen atoms, and 2 sulfur atoms.",COCCNC(=O)Oc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)sc2n1
BondNum,"The molecule has 4 single bonds, 1 rotatable bond, and 10 aromatic bonds.",CSc1c(Cl)sc2cccc(O)c12
FunctionalGroup,"There is a molecule with 3 benzene ring groups, and 1 halo group.",COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1
AddComponent,Modify the molecule CCc1nc(CC(=O)NCCCCCCC(=O)[O-])cs1 by adding a amine.,CCc1nc(CC(=O)NCCCCC(N)CC(=O)[O-])cs1
SubComponent,Substitute a hydroxyl in the molecule COc1ccc2c(c1)NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 with a nitro.,COc1ccc2c(c1)NC(=O)C2(c1ccc(O)cc1)c1ccc(NO)cc1
DelComponent,Remove a amine from the molecule CCOC1CC(NC(=[NH+]C)N2CCC([NH+]3CC=CC3)C2)C12CCCCC2.,CCOC1CC(NC(C)N2CCC([NH+]3CC=CC3)C2)C12CCCCC2
LogP,Optimize the molecule CC(CNC(=O)C1CC(=O)Nc2cc(F)ccc21)CC(=O)[O-] to have a lower LogP value.,CC(CNC(=O)C1CC(=O)Nc2cc(O)ccc21)CC(=O)[O-]
MR,Please optimize the molecule CC(C#N)Nc1ncc2c(n1)CCCCC2 to have a higher MR value.,CC(Nc1ncc2c(n1)CCCCC2)C(=O)[OH]
QED,Please optimize the molecule CC(C)(C)n1cc(C[NH2+]Cc2ccccc2Br)cn1 to have a lower QED value.,CC(C)(C)n1cc(C[NH2+]C(c2ccccc2)c2ccccc2Br)cn1
AtomNum,"The molecule consists of 20 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCOc1ccccc1CNC(=O)C(CC)N(c1ccc(Cl)cc1)S(C)(=O)=O
BondNum,"The molecule is composed of 20 single bonds, 2 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCCCN1C(=O)CCC(C(=O)N(C)CCCc2ccccc2)C1c1ccccc1OC
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 1 nitro group.",CCn1ncc(Cn2cc(NC(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)cn2)c1C
AddComponent,Please add a amine to the molecule NC(=O)c1cc(Cl)cnc1C([NH3+])c1ccccc1.,NC(=O)c1cc(Cl)cnc1C([NH3+])c1cccc(N)c1
SubComponent,Modify the molecule CCOC(=O)c1cnn(Cc2nc3ccccc3c(=O)n2C)c1C#N by substituting a nitrile with a carboxyl.,CCOC(=O)c1cnn(Cc2nc3ccccc3c(=O)n2C)c1C(=O)[OH]
DelComponent,Modify the molecule amide by removing a CCS(=O)(=O)NC(C[NH+]1CCC(CC(=O)NCCC2CNc3ccc(F)cc32)CC1)C(C)(C)C.,CCS(=O)(=O)NC(C[NH+]1CCC(CCC2CNc3ccc(F)cc32)CC1)C(C)(C)C
LogP,Modify the molecule CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(OC(F)(F)F)c3)C2c2cccs2)c1 to decrease its LogP value.,CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(OC(F)(F)NO)c3)C2c2cccs2)c1
MR,Modify the molecule CC(C)Nc1cc(N(C)CC#N)ncn1 to have a higher MR value.,CC(C)Nc1cc(N(C)CC(=O)[OH])ncn1
QED,Please optimize the molecule BrCc1nc2c3ccccc3c3ccccc3c2nc1CBr to have a higher QED value.,Cc1nc2c3ccccc3c3ccccc3c2nc1CBr
AtomNum,"Please generate a molecule with 12 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",O=C([O-])c1ccnnc1OCC1CCCCC1
BondNum,"Please generate a molecule consisting 15 single bonds, 2 double bonds, 3 rotatable bonds, and 22 aromatic bonds.",CC=c1[nH]c2c(-c3c(C)c(C)c(C)c(C)c3F)cc(-c3c(C)c(C)c(C)c(C)c3F)cc2c1=CCC
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 ester groups, and 2 halo groups.",COC(=O)C1=C(C)N(CCCc2ccccc2)C(C)=C(C(=O)OC)C1c1ccc(Cl)c(Cl)c1
AddComponent,Add a carboxyl to the molecule CCC(Oc1cccc(C)c1)C(=O)Nc1ccc(OCCOc2ccccc2)cc1.,CCC(Oc1cccc(C)c1)C(=O)Nc1ccc(OCCOc2ccccc2)cc1C(=O)O
SubComponent,Modify the molecule CCCOc1ccc(C(=O)NCC(C)(O)CO)cc1 by substituting a hydroxyl with a nitrile.,CCCOc1ccc(C(=O)NCC(C)(C#N)CO)cc1
DelComponent,Modify the molecule benzene ring by removing a CC(C)C(=O)N1CCC(NC(=O)C2(c3cccc(Cl)c3)CCC2)CC1.,CC(C)C(=O)N1CCC(NC(=O)C2(Cl)CCC2)CC1
LogP,Please optimize the molecule CC(Sc1nnc(SC(C)C(=O)Nc2ccc(C#N)cc2)s1)C(=O)Nc1ccc(C#N)cc1 to have a lower LogP value.,CC(Sc1nnc(SC(C)C(=O)Nc2ccc(C#N)cc2)s1)C(=O)NC#N
MR,Modify the molecule COC1(CO)OCC(CO)C(O)C1O to have a higher MR value.,CC(=O)CC1(OC)OCC(CO)C(O)C1O
QED,Optimize the molecule Cn1cccc1C1CCCCCN1C(=O)CCn1c(=O)oc2cc(Cl)ccc21 to have a higher QED value.,Cn1cccc1C1CCCCCN1C(=O)CCn1c(=O)oc2ccccc21
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCCOc1ccc(C=C2SC(=[NH+]c3ccc(C)cc3)N(C(C)C)C2=O)c2ccccc12
BondNum,"Please generate a molecule with 12 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CSCS(C)(Cc1ccccc1)OC(=O)C(F)(F)F
FunctionalGroup,"Please generate a molecule consisting 1 amine group, and 1 halo group.",CNc1cc(C(C)(C)C)[nH+]c2c(Br)c(C)ccc12
AddComponent,Add a amine to the molecule Nc1cc(N2CCCC2CO)ccc1[N+](=O)[O-].,Nc1cc(N2C(N)CCC2CO)ccc1[N+](=O)[O-]
SubComponent,Please substitute a halo in the molecule Nc1nc(=S)n(-c2ccc(Cl)cc2)c2nc3ccccc3cc12 with a hydroxyl.,Nc1nc(=S)n(-c2ccc(O)cc2)c2nc3ccccc3cc12
DelComponent,Remove a amide from the molecule COc1ccc(NC(=O)C2CC2C(=O)NCc2cccc(C)c2)cc1Cl.,COc1ccc(C(C)C(=O)NCc2cccc(C)c2)cc1Cl
LogP,Modify the molecule CCOc1ccc(SC2CCCc3cccnc32)cc1 to have a lower LogP value.,CCOSC1CCCc2cccnc21
MR,Modify the molecule CS(=O)(=O)c1ccc(-c2nc(I)no2)cc1 to have a lower MR value.,CS(=O)(=O)c1ccc(-c2nc(NO)no2)cc1
QED,Modify the molecule O=C(CCc1ccc2ccccc2c1)NC(CC(F)(F)F)C(=O)[O-] to have a lower QED value.,O=C(CCc1ccc2ccccc2c1)NC(CC(F)(F)C(=O)[OH])C(=O)[O-]
AtomNum,"Please generate a molecule composed of 19 carbon atoms, and 1 nitrogen atom.",C[NH2+]CC(Cc1ccc(C)cc1)Cc1ccccc1C
BondNum,"The molecule consists of 14 single bonds, 1 double bond, and 6 rotatable bonds.",COC(CNS(=O)C(C)(C)C)(OC)C(C)C
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amide groups, 1 nitrile group, and 1 sulfide group.",Cc1cc(C)c(C#N)c(SC2=C([NH+]3CCCCCC3)C(=O)N(c3ccc(C[NH+]4CCN(C)CC4)cc3)C2=O)n1
AddComponent,Modify the molecule Cc1ccccc1NC(=O)Nc1ccc(-c2snc(NCCC[NH+]3CCOCC3)c2C(N)=O)c(C)c1 by adding a benzene ring.,Cc1ccccc1NC(=O)Nc1ccc(-c2snc(NCCC[NH+]3CCOCC3)c2C(N)=O)c(Cc2ccccc2)c1
SubComponent,Substitute a Cc1cccc(C(C)Nc2ncc(F)c(N3C(=O)OCC3C(C)C)n2)c1 in the molecule halo with a carboxyl.,Cc1cccc(C(C)Nc2ncc(C(=O)[OH])c(N3C(=O)OCC3C(C)C)n2)c1
DelComponent,Modify the molecule benzene ring by removing a CCCCNC(=O)NNC(=O)C1=C(C)[NH+](Cc2ccccc2)[CH]N1[O-].,CCCCNC(=O)NNC(=O)C1=C(C)[NH+](C)[CH]N1[O-]
LogP,Optimize the molecule Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(Cl)c(C(=O)NC5CCCC5)c4)CC3)cc2Cl)cc1 to have a higher LogP value.,Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CCCC4C[NH+](C(C)C(=O)Nc5ccc(Cl)c(C(=O)NC6CCCC6)c5)CC43)cc2Cl)cc1
MR,Modify the molecule COCc1cc(COc2ccc(Br)c(C=O)c2)no1 to have a lower MR value.,COCc1cc(COc2cccc(C=O)c2)no1
QED,Please optimize the molecule Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3nc(C)ccc3O)CC2)c1 to have a lower QED value.,Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3nc(C)ccc3C(=O)[OH])CC2)c1
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 sulfur atoms.",CSCCCNC(=O)c1cc(N)c(C)s1
BondNum,"Please generate a molecule with 10 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",Cc1cc(C)cc(OCc2csc(C(=O)Nc3c(Cl)cccc3Cl)c2)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",Cc1cc(C(=O)N(Cc2ccccc2)C2CC2)c2cnn(C(C)C)c2n1
AddComponent,Modify the molecule C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 by adding a benzene ring.,CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC=Cc2ccccc2)Cc2cccs2)cc1
SubComponent,Modify the molecule Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1c(C#N)sc2c1CCCC2 by substituting a nitrile with a nitro.,Cc1cc(C=C(NO)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1c(C#N)sc2c1CCCC2
DelComponent,Remove a benzene ring from the molecule COc1ccccc1NC(=O)CSc1cccc(NC(=O)c2ccc(C)cc2)c1.,COc1ccccc1NC(=O)CSc1cccc(NC(C)=O)c1
LogP,Modify the molecule CCn1cc(CNc2ccccc2S(=O)(=O)C(F)F)cn1 to have a lower LogP value.,CCn1cc(Cc2ccccc2S(=O)(=O)C(F)F)cn1
MR,Optimize the molecule CC(NC(=O)N(C)C1CC[NH+](C)CC1)c1cccc(Cl)c1-c1ccccc1 to have a lower MR value.,CC(NC(=O)N(C)C1CC[NH+](C)CC1)c1ccccc1-c1ccccc1
QED,Please optimize the molecule OC(c1ccc(Br)c(Br)c1)C1CCOC2(CCCC2)C1 to have a lower QED value.,ClC(c1ccc(Br)c(Br)c1)C1CCOC2(CCCC2)C1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COC(=O)CC1C[NH2+]CC1c1cccc(OCC2=[NH+]C(c3ccccc3)ON2)c1
BondNum,"The molecule contains 19 single bonds, 1 double bond, 8 rotatable bonds, and 22 aromatic bonds.",CC(C)CC(=O)N1CCC(Cn2cc(-c3cnc4ccc(Nc5cc(C(C)C)cnn5)nc4c3)cn2)CC1
FunctionalGroup,There is a molecule composed of and 1 sulfide group.,CCOc1nc(-c2c[nH]c3ncc(C4CCCCC4)cc23)cs1
AddComponent,Modify the molecule Cc1cc(C)cc(C(=O)CC[NH+]2CCCOC(C)C2)c1 by adding a hydroxyl.,Cc1cc(CO)cc(C(=O)CC[NH+]2CCCOC(C)C2)c1
SubComponent,Substitute a CCOc1cc2scc(CBr)c2cc1I in the molecule halo with a thiol.,CCOc1cc2scc(CS)c2cc1I
DelComponent,Remove a benzene ring from the molecule Cc1ccc(C)c(-c2cnc(C[NH3+])o2)c1.,CCc1cnc(C[NH3+])o1
LogP,Modify the molecule Cc1cc(C)cc(N2C(=O)C(=O)C(=C([O-])c3cccc(OC(C)C)c3)C2c2cccc(OCc3ccccc3)c2)c1 to decrease its LogP value.,CCN1C(=O)C(=O)C(=C([O-])c2cccc(OC(C)C)c2)C1c1cccc(OCc2ccccc2)c1
MR,Optimize the molecule CC(C)c1cccc(Oc2nc3sccn3c2[N+](=O)[O-])c1 to have a lower MR value.,CC(C)Oc1nc2sccn2c1[N+](=O)[O-]
QED,Please optimize the molecule Cc1ccc(O)c(NC(=S)Nc2ccc(F)c(F)c2F)c1 to have a higher QED value.,CONC(=S)Nc1ccc(F)c(F)c1F
AtomNum,"Please generate a molecule composed of 10 carbon atoms, and 2 nitrogen atoms.",C#CC(C)[NH2+]CC1(CC#N)CC1
BondNum,"Please generate a molecule consisting 12 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",O=C(CCc1nc(-c2ccncc2)no1)NNC(=O)c1cc2c(s1)CCC2
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amine group.",Cc1cccc(C)c1CC(=[NH2+])N(C1CCCCC1)C1CCCCC1
AddComponent,Add a carboxyl to the molecule CCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-].,CCC(=O)Nc1cc(C(F)(F)F)c(C(=O)O)cc1C(=O)[O-]
SubComponent,Please substitute a Cc1nnc(SCc2cc(Cl)cc3c2OCOC3)n1C1CC1 in the molecule halo with a aldehyde.,CC(=O)c1cc2c(c(CSc3nnc(C)n3C3CC3)c1)OCOC2
DelComponent,Please remove a benzene ring from the molecule CCOc1ccccc1C(=O)CN(C)CCC(F)(F)F.,CCOC(=O)CN(C)CCC(F)(F)F
LogP,Please modify the molecule Cn1c2c(c3ccccc31)CC(CC#N)NC2CCO[Si](C)(C)C(C)(C)C to decrease its LogP value.,Cn1c2c(c3ccccc31)CC(CO)NC2CCO[Si](C)(C)C(C)(C)C
MR,Please optimize the molecule CC(Nc1ccc2c(c1)OCCCO2)c1cccc(F)c1 to have a higher MR value.,CC(Nc1ccc2c(c1)OCCCO2)c1cccc(NO)c1
QED,Modify the molecule CCCC(C#N)C(=O)c1ccc([N+](=O)[O-])cc1 to increase its QED value.,CCCC(C#N)C(=O)c1ccc([N+](=O)[O-])c(O)c1
AtomNum,"There is a molecule composed of 17 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 3 chlorine atoms.",O=C(Cc1csc(-c2ccc(F)cc2)n1)NNc1c(Cl)cc(Cl)cc1Cl
BondNum,"Please generate a molecule composed of 8 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",COC(=O)c1cc(Nc2ccc(F)cc2I)ccc1N
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 1 nitro group, and 1 halo group.",Cc1nn(Cn2ccc(C(=O)N3CC[NH+](Cc4ccc(F)cc4)CC3)n2)c(C)c1[N+](=O)[O-]
AddComponent,Please add a hydroxyl to the molecule COc1ncc(C#CC#Cc2ccc(C(=O)NC(C[NH3+])C(=O)CO)cc2)c(OC)n1.,COc1ncc(C#CC#Cc2ccc(C(=O)NC(C[NH3+])C(=O)CO)c(O)c2)c(OC)n1
SubComponent,Modify the molecule CC(N)C(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 by substituting a halo with a nitrile.,CC(N)C(C)S(=O)(=O)c1ccc(C(F)(F)C#N)cc1
DelComponent,Modify the molecule COC12CCC3(CC1COCc1ccc(Br)cc1)C1Cc4ccc(C)c5c4C3(CC[NH+]1CC1CC1)C2O5 by removing a benzene ring.,COC12CCC3(CC1COCBr)C1Cc4ccc(C)c5c4C3(CC[NH+]1CC1CC1)C2O5
LogP,Please modify the molecule CC(CNC(=O)C=Cc1ccccc1F)C(=O)[O-] to decrease its LogP value.,CC(CNC(=O)C=Cc1ccccc1C#N)C(=O)[O-]
MR,Optimize the molecule CCc1ccc(C(C)NC(=O)c2ccc3n[nH]nc3c2)cc1 to have a lower MR value.,CCC(C)NC(=O)c1ccc2n[nH]nc2c1
QED,Optimize the molecule CCC1(CC)NC(=O)N(CC(=O)Nc2cc(F)ccc2C)C1=O to have a lower QED value.,CCC1(CC)NC(=O)N(CC(=O)N(C)F)C1=O
AtomNum,"The molecule has 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 fluorine atom.",COc1cccnc1C([NH3+])c1ccc(F)cc1C
BondNum,"The molecule is composed of 24 single bonds, 2 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",Nc1nc(=O)c2c([nH]1)n(C1OC(CO)C(O)C1O)c(=O)n2CC(O)C[NH+]1CCN(c2ccc(F)cc2)CC1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, 1 amine group, and 2 sulfide groups.",COc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCCC3)cc1
AddComponent,Modify the molecule Cc1ccc(-c2ccc(C(=O)N3CC4CC(O)C(O)CC4C3)cc2)cc1Cl by adding a benzene ring.,Cc1ccc(-c2ccc(C(=O)N3CC4CC(O)C(O)CC4C3)cc2-c2ccccc2)cc1Cl
SubComponent,Modify the molecule Cc1cccc(C)c1CC([NH3+])c1cc(Cl)cc(Br)c1 by substituting a halo with a nitrile.,Cc1cccc(C)c1CC([NH3+])c1cc(Br)cc(C#N)c1
DelComponent,Modify the molecule halo by removing a O=c1c(Br)cncn1Cc1cncs1.,O=c1ccncn1Cc1cncs1
LogP,Please modify the molecule COc1ccc(N2C(C)CNC(=O)C2C[NH3+])cc1 to decrease its LogP value.,CON1C(C)CNC(=O)C1C[NH3+]
MR,Modify the molecule Cn1cc(C[NH+](C)CC(O)Cn2c3ccccc3c3ccccc32)cn1 to have a higher MR value.,Cn1cc(C[NH+](C)CC(O)C(O)n2c3ccccc3c3ccccc32)cn1
QED,Optimize the molecule Cc1ccc(Cn2nc(C)c(CCC(=O)N(C)C(C)CO)c2C)cc1 to have a higher QED value.,Cc1ccc(Cn2nc(C)c(CC(C)(C)CO)c2C)cc1
AtomNum,"Please generate a molecule with 26 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",O=C(c1ccccc1)c1ccc(C(=O)C2Nc3ccccc3Cn3cccc32)cc1
BondNum,"The molecule is composed of 17 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)NC1CCS(=O)(=O)C1
FunctionalGroup,"The molecule contains 1 amide group, and 1 amine group.",NC(=S)CC(=O)N1CCC[NH+]2CCCC2C1
AddComponent,Please add a benzene ring to the molecule CC1(C)c2cc(N(c3ccccc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)ccc2-c2c(-c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5c4sc4c(-c6ccccc6)cccc45)cc3c3cccc1c23.,CC1(C)c2cc(N(c3ccccc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)c(-c3ccccc3)cc2-c2c(-c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5c4sc4c(-c6ccccc6)cccc45)cc3c3cccc1c23
SubComponent,Please substitute a halo in the molecule CC[NH2+]C(C)c1ccc(-c2ccc(Br)c(Cl)c2)o1 with a aldehyde.,CC(=O)c1ccc(-c2ccc(C(C)[NH2+]CC)o2)cc1Cl
DelComponent,Modify the molecule CC(C)n1ncc(NCCOCC(F)F)c(Cl)c1=O by removing a amine.,CC(C)n1ncc(CCOCC(F)F)c(Cl)c1=O
LogP,Please optimize the molecule CSc1nc(=O)c2c([nH]1)CC[NH+](Cc1coc3c(Cl)cc(Cl)cc3c1=O)C2 to have a lower LogP value.,CSc1nc(=O)c2c([nH]1)CC[NH+](Cc1coc3ccc(Cl)cc3c1=O)C2
MR,Please modify the molecule CCOC1CCN(c2nc(C(F)(F)F)nc3nc[nH]c23)CC1 to decrease its MR value.,CCOC1CCN(c2nc(C(F)F)nc3nc[nH]c23)CC1
QED,Modify the molecule COc1ccc(C([O-])=C2C(=O)C(=O)N(CC[NH+](C)C)C2c2cccc(C)c2)cc1C to have a higher QED value.,COc1ccc(C([O-])=C2OC2(CC[NH+](C)C)c2cccc(C)c2)cc1C
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COC(=O)C1CC[NH+](Cc2ncoc2C)CC1
BondNum,"The molecule is composed of 20 single bonds, 2 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",CCCOc1ccc(N2C(=O)C(O)=C(c3ccc(OCCC)c(OC)c3)C2c2ccc(Cl)c(Cl)c2)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 halo group.",CN(CCc1ccccc1Br)C(=O)C=CC(=O)[O-]
AddComponent,Please add a nitrile to the molecule O=S(=O)(c1ccccc1)c1nc(-c2ccc(Br)cc2)oc1NCCCn1ccnc1.,N#Cc1cccc(S(=O)(=O)c2nc(-c3ccc(Br)cc3)oc2NCCCn2ccnc2)c1
SubComponent,Modify the molecule CC(NC(=O)C(=O)NN=Cc1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 by substituting a halo with a thiol.,CC(NC(=O)C(=O)NN=Cc1ccc(-c2cccc(S)c2)o1)c1ccccc1
DelComponent,Modify the molecule CC1CCC2(CC1)OCC(CNC(NCC(=O)N(C)C)=[NH+]Cc1ccccc1)O2 by removing a benzene ring.,C[NH+]=C(NCC(=O)N(C)C)NCC1COC2(CCC(C)CC2)O1
LogP,Optimize the molecule CC1(CCCCCN=[N+]=[N-])c2ccc([nH]2)C(C)(CCCCCN=[N+]=[N-])c2ccc([nH]2)C(C)(CCCCCN=[N+]=[N-])c2ccc([nH]2)C(C)(CCCCCN=[N+]=[N-])c2ccc1[nH]2 to have a lower LogP value.,CC1(CCCCCN=[N+]=[N-])c2ccc([nH]2)C(C)(CCCCCN=[N+]=[N-])c2ccc([nH]2)C(CO)(CCCCCN=[N+]=[N-])c2ccc([nH]2)C(C)(CCCCCN=[N+]=[N-])c2ccc1[nH]2
MR,Please modify the molecule CS(=O)(=O)c1cc(CBr)ccc1F to increase its MR value.,CS(=O)(=O)c1cc(CS)ccc1F
QED,Please optimize the molecule Oc1ccc(C2Nc3ccc(OCCCc4ccccc4)cc3C3C=CCC32)cc1 to have a higher QED value.,OC1Nc2ccc(OCCCc3ccccc3)cc2C2C=CCC12
AtomNum,"The molecule contains 20 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCOC1
BondNum,"There is a molecule with 16 single bonds, 2 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCCCOc1ccc(C(=O)OC(C)C(=O)Nc2cccc(Cl)c2)cc1OCC
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 4 amide groups.",Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2C)CC1
AddComponent,Please add a thiol to the molecule CCCCC(CC)COC1CCCC([NH2+]C)C1.,CCCCC(CC)COC1CCCC([NH2+]CS)C1
SubComponent,Substitute a CCN(CC)c1ccc(C=Cc2c(C#N)c(C=Cc3ccc(N(CC)CC)cc3)c(C#N)c(C=Cc3ccc(N(CC)CC)cc3)c2C#N)cc1 in the molecule nitrile with a hydroxyl.,CCN(CC)c1ccc(C=Cc2c(O)c(C=Cc3ccc(N(CC)CC)cc3)c(C#N)c(C=Cc3ccc(N(CC)CC)cc3)c2C#N)cc1
DelComponent,Remove a amide from the molecule Cc1cc(C)cc(-c2cc(NC(=O)c3cc(F)ccc3C)n[nH]2)c1.,Cc1cc(C)cc(-c2cc(-c3(C)ccc(F)c-3)n[nH]2)c1
LogP,Please modify the molecule N#Cc1ccc(-c2cnc3c(-c4ccc(C[NH3+])cc4)ccnc3c2)cc1 to decrease its LogP value.,[NH3+]Cc1ccc(-c2ccnc3cc(-c4ccc(O)cc4)cnc23)cc1
MR,Modify the molecule CCOCCC[NH2+]Cc1cc(OCC)c(OCc2c(Cl)cccc2Cl)cc1Br to decrease its MR value.,CCOCCC[NH2+]Cc1cc(OCC)c(OCc2c(O)cccc2Cl)cc1Br
QED,Modify the molecule CCC(C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O to have a higher QED value.,CCC(C(=O)NC(C)C)C(CCN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(OC)cc1
AtomNum,"There is a molecule composed of 26 carbon atoms, 8 nitrogen atoms, and 1 chlorine atom.",C[NH+]1Cc2cc(N=c3ncc4c(N)n(-c5ccccc5Cl)c5nccn5c-4n3)ccc2C(C)(C)C1
BondNum,"The molecule consists of 9 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCc1c(C)ccc(OB(O)O)c1CC
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, and 1 sulfide group.",CCOc1ccc(CNc2nnc(C3COc4ccccc4O3)s2)cc1
AddComponent,Please add a benzene ring to the molecule CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1c2ccccc2Oc2ccccc21.,CN(Cc1cnn(-c2ccc(-c3ccccc3)cc2)c1)C(=O)C1c2ccccc2Oc2ccccc21
SubComponent,Substitute a halo in the molecule COc1ccc(OCCCCCS)c(Br)c1 with a nitro.,COc1ccc(OCCCCCS)c(NO)c1
DelComponent,Please remove a amide from the molecule CNC(=O)c1cc(NCc2c(C)noc2C)cc[nH+]1.,Cc1noc(C)c1CNc1c-[nH+](C)cc1
LogP,Please modify the molecule CC1(C)C=CC=C(S(=O)(=O)NCC(O)CO)C=C1 to increase its LogP value.,CC1(C)C=CC=C(S(=O)(=O)CC(O)CO)C=C1
MR,Modify the molecule Nc1ccc2c(c1)N(CCOc1cccc(F)c1)CCC2 to decrease its MR value.,Nc1ccc2c(c1)N(CCOF)CCC2
QED,Modify the molecule CC[NH+](CC)CCN(C)Cc1cc(C)cc(C(=O)OC)c1 to have a lower QED value.,CC[NH+](CC)CCN(C)C(C)C(=O)OC
AtomNum,"The molecule has 16 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",OCC[NH+]1CCN(c2cc(Cl)nc(N3CC[NH+](CCO)CC3)n2)CC1
BondNum,"The molecule is composed of 17 single bonds, 1 double bond, and 6 rotatable bonds.",CC([NH2+]CCC1CCCCC1)(C(=O)[O-])C1CC1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, and 1 halo group.",OC(CCl)Cc1ccc2nc[nH]c2c1
AddComponent,Modify the molecule Cc1nn(CCCC[NH+]2CCC(Cc3cc(OC(F)F)ccc3Br)CC2)c(=O)n1Cc1ccccc1 by adding a benzene ring.,Cc1nn(CCCC[NH+]2CCC(Cc3cc(OC(F)F)ccc3Br)CC2)c(=O)n1Cc1ccc(-c2ccccc2)cc1
SubComponent,Please substitute a halo in the molecule C[NH2+]CC1(C)CC[NH+](Cc2c(Cl)c(C)nn2C)C1 with a nitrile.,C[NH2+]CC1(C)CC[NH+](Cc2c(C#N)c(C)nn2C)C1
DelComponent,Modify the molecule amine by removing a CC(C)OC1CN(C(=O)NC2CCCOc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1.,CC(C)OC1CN(C(=O)NC2CCCOc3cc(-c4ccnc(-c5cnn(C)c5)n4)ccc32)C1
LogP,Modify the molecule CCOC(=O)C=CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1Cc1ccccc1 to have a lower LogP value.,CCOC(=O)C=CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1Cc1ccccc1O
MR,Please optimize the molecule CC(=O)N1CCC2(CC1)Oc1ccccc1C1C=C(c3ccc(Sc4ccccc4)cc3)NN12 to have a lower MR value.,C1=C(c2ccc(Sc3ccccc3)cc2)NN2C1c1ccccc1OC21CCCC1
QED,Please optimize the molecule CC(C)(C)CC([NH2+]CC(=O)[O-])c1ccccc1 to have a lower QED value.,CC(C)(C)CC[NH2+]CC(=O)[O-]
AtomNum,"There is a molecule consisting of 14 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)N1CCC([NH2+]CC(=O)N2CCCCC2)C1
BondNum,"There is a molecule consisting of 9 single bonds, 1 double bond, 6 rotatable bonds, and 16 aromatic bonds.",CSc1nnc(C)n1N=Cc1ccc(COc2ccc(Br)cc2)o1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 halo groups.",Fc1ccc(Br)cc1CCC1CO1
AddComponent,Add a carboxyl to the molecule Nc1ncc(-c2ccccc2N=O)s1.,Nc1nc(C(=O)O)c(-c2ccccc2N=O)s1
SubComponent,Please substitute a Cc1ccc(C(=O)OC2C(O)C(SC3OC4COC(c5ccccc5)OC4C(OC(=O)c4ccc(C)cc4)C3O)OC3COC(c4ccccc4)OC32)cc1 in the molecule hydroxyl with a halo.,Cc1ccc(C(=O)OC2C(O)C(SC3OC4COC(c5ccccc5)OC4C(OC(=O)c4ccc(C)cc4)C3I)OC3COC(c4ccccc4)OC32)cc1
DelComponent,Remove a benzene ring from the molecule Fc1ccccc1Cn1cc(C[NH2+]CCCOc2ccccn2)c2ccccc21.,FCn1cc(C[NH2+]CCCOc2ccccn2)c2ccccc21
LogP,Please modify the molecule CCCCCC(CC)CC[NH+]1CCC(=O)CC1 to increase its LogP value.,CCC(CCCC(C)c1ccccc1)CC[NH+]1CCC(=O)CC1
MR,Modify the molecule CN(Cc1ccccc1)c1ncnc(Nc2ccccc2Br)c1N to increase its MR value.,CC(=O)c1ccccc1Nc1ncnc(N(C)Cc2ccccc2)c1N
QED,Please modify the molecule CCN(CC)c1cc(N2CC[NH+](CC(=O)C3(O)CCC4C5CCC6=CC(=O)CCC6(C)C5C(O)CC43C)CC2)nc(N(CC)CC)n1 to decrease its QED value.,CCN(CC)c1cc(N2CC[NH+](CC(=O)C3(O)C(c4ccccc4)CC4C5CCC6=CC(=O)CCC6(C)C5C(O)CC43C)CC2)nc(N(CC)CC)n1
AtomNum,"There is a molecule with 14 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCCc1nnsc1C([NH3+])Cc1ccc(C)cc1
BondNum,"The molecule contains 21 single bonds, 3 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(CC)cc4)CC3)cc2)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 ester group, and 2 halo groups.",COC(=O)c1c(O)c(CCCCl)c(C)c2c1-c1ccccc1C(c1ccc(Br)cc1)C2
AddComponent,Please add a hydroxyl to the molecule COc1cc(CN(C)c2cccc(F)c2)ccc1C(=O)[O-].,COc1cc(CN(C)c2ccc(O)c(F)c2)ccc1C(=O)[O-]
SubComponent,Modify the molecule halo by substituting a NS(=O)(=O)CCNC(=O)Cc1ccc(Br)cc1 with a nitrile.,N#Cc1ccc(CC(=O)NCCS(N)(=O)=O)cc1
DelComponent,Please remove a benzene ring from the molecule CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(C4=C(c5ccc(C)cc5)[NH+](CC(CC)CCCC)CN4C)cc3)cc21.,CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(C4=C(C)[NH+](CC(CC)CCCC)CN4C)cc3)cc21
LogP,Modify the molecule O=C([O-])COc1cccc(C=c2sc3ncnn3c2=O)c1 to have a lower LogP value.,O=C([O-])COC=c1sc2ncnn2c1=O
MR,Optimize the molecule Cc1cccn(CC(=O)Nc2nnc(C3CCCCC3)s2)c1=O to have a lower MR value.,Cc1cccn(-c2nnc(C3CCCCC3)s2)c1=O
QED,Please modify the molecule Cc1c(Cc2cc(O)cc(C3(C)CCCCC3)c2C)cc(O)cc1C1(C)CCCCC1 to increase its QED value.,Cc1c(Cc2cc(O)cc(C3(C)CCCCC3)c2C)cccc1C1(C)CCCCC1
AtomNum,"There is a molecule composed of 20 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 iodine atom.",COc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1I
BondNum,"The molecule has 13 single bonds, 1 double bond, and 2 rotatable bonds.",COC1CC2CC1N(C(=O)CO)C2
FunctionalGroup,The molecule has and 1 amine group.,Nc1nc(=O)c2[nH]c(-c3cc[nH]c(=O)c3)nc2[nH]1
AddComponent,Add a hydroxyl to the molecule CC(C)(C)OC(=O)N1CCC([NH+]2CCC2)CC1.,CC(C)(CO)OC(=O)N1CCC([NH+]2CCC2)CC1
SubComponent,Please substitute a halo in the molecule COCCN1C(=O)SC(=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O with a hydroxyl.,COCCN1C(=O)SC(=Cc2cc(O)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O
DelComponent,Please remove a hydroxyl from the molecule C=C1CC2CCC34CC5(C)OC6C(CC5O3)OC3CCC(CC(=O)CC5C(CC7OC(CCC1O2)CC(C)C7=C)OC(CC(O)C[NH3+])C5C)OC3C6O4.,C=C1CC2CCC34CC5(C)OC6C(CC5O3)OC3CCC(CC(=O)CC5C(CC7OC(CCC1O2)CC(C)C7=C)OC(CCC[NH3+])C5C)OC3C6O4
LogP,Modify the molecule C[NH2+]Cc1c(Cl)cccc1SCc1cccc(C)c1 to have a lower LogP value.,C[NH2+]Cc1c(Cl)cc(N)cc1SCc1cccc(C)c1
MR,Please modify the molecule Nc1ccc2c(c1)CCC2[NH+]1CCCC1c1ccccc1 to increase its MR value.,Nc1ccc2c(c1)CCC2[NH+]1CCC(O)C1c1ccccc1
QED,Please optimize the molecule Cc1cc(OCC2CN(C(=O)Cc3c(F)ccc(C)c3F)CCO2)ccc1Cl to have a lower QED value.,Cc1cc(OCC2CN(C(=O)Cc3c(NO)ccc(C)c3F)CCO2)ccc1Cl
AtomNum,"The molecule has 14 carbon atoms, 2 oxygen atoms, and 2 sulfur atoms.",O=C(OCc1csc2ccccc12)c1ccsc1
BondNum,"The molecule consists of 8 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 2 amine groups.",COc1ccc(CNc2cc(C(N)=O)ccn2)cc1N
AddComponent,Modify the molecule CCOC(=O)c1ccc2n1CC[NH2+]C2 by adding a hydroxyl.,CCOC(=O)c1ccc2n1CC(O)[NH2+]C2
SubComponent,Substitute a halo in the molecule COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 with a nitro.,COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3NO)c2)cc1
DelComponent,Please remove a amine from the molecule OC(CNc1ccc(OC(F)(F)F)cn1)c1ccccc1F.,OC(Cc1ccc(OC(F)(F)F)cn1)c1ccccc1F
LogP,Modify the molecule CON(C)c1ccc(Br)c(C)n1 to have a lower LogP value.,CON(C)c1ccc(C#N)c(C)n1
MR,Modify the molecule CCC(CC)(CS)CN1CCS(=O)CC1 to increase its MR value.,CCC(CC)(CN1CCS(=O)CC1)C(O)S
QED,Optimize the molecule CC(C)c1ccn(-c2ccc(CC[NH3+])cc2F)n1 to have a lower QED value.,CC(C)c1ccn(-c2cc(C(=O)O)c(CC[NH3+])cc2F)n1
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 3 fluorine atoms.",[NH3+]C1CC(CF)(CF)Oc2cc(F)ccc21
BondNum,"There is a molecule composed of 15 single bonds, 2 double bonds, and 11 rotatable bonds.",CCCCCCCCCC(NN)C(C)S(C)(=O)=O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, and 2 halo groups.",COc1cc(C)c(C(F)(F)C(C)N)cc1C
AddComponent,Please add a hydroxyl to the molecule COC(=O)C1(C(=O)OC)CCON(c2ccccc2)C12C(=O)N(C)c1cc(Cl)ccc12.,COC(=O)C1(C(=O)OC)CCON(c2ccccc2O)C12C(=O)N(C)c1cc(Cl)ccc12
SubComponent,Please substitute a halo in the molecule Cc1ccc2nc(SC(C)C(=O)Nc3ccc(Cl)cn3)[nH]c2c1 with a carboxyl.,Cc1ccc2nc(SC(C)C(=O)Nc3ccc(C(=O)[OH])cn3)[nH]c2c1
DelComponent,Please remove a amine from the molecule CCNC(NC1CCN(c2ccc(F)cc2F)C1)=[NH+]CCC(=O)NC(C)C.,CCC(NC1CCN(c2ccc(F)cc2F)C1)=[NH+]CCC(=O)NC(C)C
LogP,Modify the molecule Nc1cc(F)ccc1OCc1ccncc1 to increase its LogP value.,Nc1cc(S)ccc1OCc1ccncc1
MR,Please modify the molecule Cc1cc(C)cc(N(C)C(C)CCc2ccc(O)cc2)c1 to increase its MR value.,Cc1cc(C)cc(N(C)C(C)CCc2ccc(Cl)cc2)c1
QED,Modify the molecule CCn1nc(C)cc1C(=O)NCc1cccc(OCC[NH+](C)C2CCOCC2)c1 to decrease its QED value.,CCn1nc(C)cc1C(=O)NCc1cccc(OCC[NH+](C)C2CCOCC2c2ccccc2)c1
AtomNum,"The molecule consists of 21 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCOC(=O)c1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1
BondNum,"Please generate a molecule with 7 single bonds, 1 rotatable bond, and 16 aromatic bonds.",Brc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",CCCc1cc(C(=O)Nc2cccc(F)c2)cc(NC)n1
AddComponent,Please add a hydroxyl to the molecule CC(C(=O)NC1CC1)[NH+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1.,CC(C(=O)NC1CC1)[NH+]1CCN(C(O)C(=O)N(C)C2(C#N)CCCCC2)CC1
SubComponent,Modify the molecule nitrile by substituting a N#Cc1snc(-c2ccccc2)c1O with a hydroxyl.,Oc1snc(-c2ccccc2)c1O
DelComponent,Remove a O=c1[nH]c(=O)n(C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C2O)cc1-c1cc2ccccc2s1 from the molecule hydroxyl.,O=c1[nH]c(=O)n(C2CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)cc1-c1cc2ccccc2s1
LogP,Modify the molecule CCNC(NCc1c(C)nn(C)c1C)=[NH+]Cc1ccc(OC)c(C)c1 to decrease its LogP value.,COc1ccc(C[NH+]=C(NCc2c(C)nn(C)c2C)NC(C)C#N)cc1C
MR,Modify the molecule O=C(Nc1ccccc1)Nc1ccc(C2(c3ccc(NC(=O)Nc4ccccc4)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1 to have a lower MR value.,O=C(Nc1ccccc1)Nc1ccc(C2(NC(=O)Nc3ccccc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
QED,Please modify the molecule CCOc1ccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCC(C(C)(C)C)C3)cc1 to increase its QED value.,CCONC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCC(C(C)(C)C)C2
AtomNum,"Please generate a molecule composed of 27 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccccc1N1C(=O)C(Nc2ccc3ccccc3c2)=C(Sc2ccccc2)C1=O
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 7 rotatable bonds, and 10 aromatic bonds.",CC(NC(=O)CSc1n[nH]c(CC2CCCC2)n1)c1ccco1
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,CC(C)C1CCC(C)[NH+]1CCOCc1ccccc1
AddComponent,Please add a hydroxyl to the molecule CC1=Cc2c(Br)cc(P(c3ccccc3)c3ccccc3)cc2C1CCC1C(C)=Cc2c(Br)cc(P(c3ccccc3)c3ccccc3)cc21.,CC1=Cc2c(Br)cc(P(c3ccccc3)c3ccccc3)cc2C1CCC1(O)C(C)=Cc2c(Br)cc(P(c3ccccc3)c3ccccc3)cc21
SubComponent,Please substitute a COC1CCCC1[NH2+]CC(O)COc1cc(Cl)ccc1Cl in the molecule hydroxyl with a nitro.,COC1CCCC1[NH2+]CC(COc1cc(Cl)ccc1Cl)NO
DelComponent,Modify the molecule amide by removing a [C-]#[N+]C1=C(C)C(=C2Sc3c(O)c4c(c(O)c3S2)SC(=C2C(=O)NC(=O)C(C#N)=C2C)S4)C(=O)NC1=O.,[C-]#[N+]C1(C)C(=O)C1=C1Sc2c(O)c3c(c(O)c2S1)SC(=C1C(=O)NC(=O)C(C#N)=C1C)S3
LogP,Please optimize the molecule Cc1cccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)n1 to have a lower LogP value.,Cc1cccc(NC(=O)CCS(C)(=O)=O)n1
MR,Please modify the molecule CN1CC[NH+](C2COCC2NC(=O)Cc2cccnc2)CC1 to decrease its MR value.,CN1CC[NH+](C2COCC2c2cccnc2)CC1
QED,Optimize the molecule CCCCOc1ccc(C2C(=C([O-])c3cc(Cl)ccc3OC)C(=O)C(=O)N2CCOC)cc1 to have a higher QED value.,CCCCOc1ccc(C2C(=C([O-])c3ccccc3OC)C(=O)C(=O)N2CCOC)cc1
AtomNum,"The molecule is composed of 16 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",CSC1CC[NH+](C(C)C(=O)c2ccc(C)cc2)CC1
BondNum,"The molecule has 10 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",O=[N+]([O-])c1ccc(NC(c2ccc(F)cc2)C2CC2)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 1 halo group.",O=C(CC1COCC[NH2+]1)NCC1CCN(c2ccc(F)cc2)C1
AddComponent,Modify the molecule CN1CCn2ccc(=O)c([O-])c2C1=O by adding a amine.,CN1CC(N)n2ccc(=O)c([O-])c2C1=O
SubComponent,Please substitute a halo in the molecule CC(NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccc(-c2ccccc2)cc1 with a hydroxyl.,CC(NC(=O)c1cc(S(C)(=O)=O)ccc1O)c1ccc(-c2ccccc2)cc1
DelComponent,Please remove a benzene ring from the molecule CC(C)CC(NC(=O)C([NH3+])Cc1ccccc1)C(=O)NC(C(=O)[O-])C(C)C.,CC(C)CC(NC(=O)C(C)[NH3+])C(=O)NC(C(=O)[O-])C(C)C
LogP,Modify the molecule Cc1cc(OC2CC[NH2+]CC2)ccc1NC(=O)CNc1ccc(F)c(F)c1 to have a lower LogP value.,Cc1cc(OC2CC[NH2+]CC2)c(N)cc1NC(=O)CNc1ccc(F)c(F)c1
MR,Please optimize the molecule N#Cc1cc2cc(O)c(O)cc2cc1C#N to have a higher MR value.,N#Cc1cc2cc(O)c(O)c(O)c2cc1C#N
QED,Optimize the molecule O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)c1ccc(Cl)cc1 to have a higher QED value.,O=C(Cl)CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3
AtomNum,"The molecule contains 25 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",Cc1cccc(OCC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c(-c3c(Cl)cnn3C)c2)c1
BondNum,"The molecule contains 16 single bonds, and 5 rotatable bonds.",CC1CCC(C[NH+](CCO)C2CC2)CC1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amine group, and 1 nitro group.",CCc1ccc(CN(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)cc1
AddComponent,Add a amine to the molecule O=CC1C[NH+](Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4[nH]3)c(F)c2)C1.,Nc1c(-c2ccc(C[NH+]3CC(C=O)C3)cc2F)[nH]c2ccc(Cc3ccccc3)cc12
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ccc(-c2ccc3[nH]c(O)c(-c4ccc5ccccc5n4)c3c2)cc1 with a nitro.,Cc1ccc(-c2ccc3[nH]c(NO)c(-c4ccc5ccccc5n4)c3c2)cc1
DelComponent,Remove a hydroxyl from the molecule CCc1cccc(OCC(O)Cn2c(N3CC[NH+](C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1.,CCc1cccc(OCCCn2c(N3CC[NH+](C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1
LogP,Modify the molecule O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3COCc4cc(Br)ccc43)CC2)cc1 to decrease its LogP value.,O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(N3COCc4cc(O)ccc43)CC2)cc1
MR,Please optimize the molecule C=C(C)OC(=O)N1CCC(C(CC(C)C)Oc2ccc(Cl)nc2C)C1 to have a higher MR value.,C=C(C)OC(=O)N1CCC(C(CC(C)C)Oc2cc(-c3ccccc3)c(Cl)nc2C)C1
QED,Optimize the molecule Cc1cc(Br)cc(CBr)c1OCc1cc(F)cc(F)c1 to have a lower QED value.,CC(=O)c1cc(C)c(OCc2cc(F)cc(F)c2)c(CBr)c1
AtomNum,"The molecule contains 18 carbon atoms, and 6 oxygen atoms.",C=CCOC(=O)Cc1c(C(=O)OCC=C)oc2ccccc2c1=O
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCN1C(=O)CCCC(C(=O)[O-])C1c1ccccc1OC
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 3 halo groups, and 1 sulfide group.",Cc1nc(Cl)ccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
AddComponent,Modify the molecule CCOc1ccc(NC(=O)N2CCN(c3ccc(-c4ccccc4Cl)nn3)CC2)cc1OCC by adding a benzene ring.,CCOc1ccc(NC(=O)N2CCN(c3ccc(-c4ccccc4Cl)nn3)C(c3ccccc3)C2)cc1OCC
SubComponent,Substitute a NC(=S)c1ccc(F)cc1C[NH+]1C2CCC1CC(O)C2 in the molecule halo with a thiol.,NC(=S)c1ccc(S)cc1C[NH+]1C2CCC1CC(O)C2
DelComponent,Modify the molecule amine by removing a CCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccccn1.,CCOC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccccn1
LogP,Modify the molecule Cc1cc(C2C(c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Br)cc1 to decrease its LogP value.,Cc1cc(C2C(c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(O)cc1
MR,Please modify the molecule Cc1c(NC(=O)OC(C)c2ccccc2Cl)c(-c2ccc(COC(CC3CC3)C(=O)[O-])cc2)nn1C to decrease its MR value.,Cc1c(NC(=O)OC(C)c2ccccc2Cl)c(COC(CC2CC2)C(=O)[O-])nn1C
QED,Modify the molecule NC(=O)CCNc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 to increase its QED value.,NC(=O)CCc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1
BondNum,"The molecule contains 17 single bonds, 2 double bonds, 9 rotatable bonds, and 23 aromatic bonds.",CCOc1cc2cnc(Nc3ccc(OC4CCC[NH2+]C4)cc3)nc2n(Cc2ccc(S(C)=O)cc2)c1=O
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,COc1ccc(NC(=O)N2CCCC(c3nn(C)c(=O)n3C3CCCC3)C2)cc1
AddComponent,Please add a amine to the molecule COCCOc1ccc(CCCN(C(=O)[O-])S(=O)(=O)c2ccc(C)cc2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1.,COCCOc1ccc(CCC(N)N(C(=O)[O-])S(=O)(=O)c2ccc(C)cc2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1
SubComponent,Please substitute a CN(C)C(=O)C1CNc2cc(F)ccc2C1 in the molecule halo with a thiol.,CN(C)C(=O)C1CNc2cc(S)ccc2C1
DelComponent,Please remove a Cc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1 from the molecule amide.,Cc1ccc(C2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1
LogP,Optimize the molecule OC1CCCCC1[NH2+]Cc1cccc(C(F)F)c1 to have a lower LogP value.,O=C([OH])C(F)c1cccc(C[NH2+]C2CCCCC2O)c1
MR,Optimize the molecule CCNc1nc(C2CC3CCC2O3)nc(CC)c1Br to have a lower MR value.,CCNc1nc(C2CC3CCC2O3)nc(CC)c1C(=O)[OH]
QED,Please optimize the molecule CCCC1=NN2C(=[NH2+])C(=Cc3cc(Br)c(OCCOc4ccccc4)c(OC)c3)C(=O)[NH+]=C2S1 to have a higher QED value.,CCCC1=NN2C(=[NH2+])C(=Cc3cc(Br)c(OCCO)c(OC)c3)C(=O)[NH+]=C2S1
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",COc1cc(OC)cc(-c2nnc(SCc3ccc(F)c(F)c3)n2-c2ccc(C)cc2)c1
BondNum,"Please generate a molecule consisting 9 single bonds, 4 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)o1
FunctionalGroup,"Please generate a molecule consisting 1 amine group, and 1 halo group.",Nc1ccc(N2CCN(c3ccc(Br)cn3)CC2)nc1
AddComponent,Modify the molecule CCc1cc(NCC[NH+](C(C)C)C(C)C)ncn1 by adding a carboxyl.,CCc1cc(NC(C[NH+](C(C)C)C(C)C)C(=O)O)ncn1
SubComponent,Substitute a CCCNC(COC)CS(=O)c1ccccc1Cl in the molecule halo with a hydroxyl.,CCCNC(COC)CS(=O)c1ccccc1O
DelComponent,Remove a amide from the molecule C=CCn1c(SCC(=O)NC(C)c2ccccc2Cl)nnc1-c1ccccc1.,C=CCn1c(SC(C)c2ccccc2Cl)nnc1-c1ccccc1
LogP,Please modify the molecule CCC([NH2+]CC(O)c1ccsc1)c1ccc(N(C)C)cc1 to decrease its LogP value.,CCC([NH2+]CC(O)c1ccsc1)N(C)C
MR,Optimize the molecule N#Cc1cc(Nc2nc(NC3CC3)n3cc(C#N)[nH+]c3n2)c(Cl)c(N2CCN(C(=O)C3C[NH2+]CCO3)CC2)c1 to have a lower MR value.,N#Cc1cn2c(NC3CC3)nc(Nc3cccc(N4CCN(C(=O)C5C[NH2+]CCO5)CC4)c3Cl)nc2[nH+]1
QED,Optimize the molecule COc1ccc(C2CC([NH2+]CC3CCC(=O)N3)C2)cc1 to have a lower QED value.,COC1CC([NH2+]CC2CCC(=O)N2)C1
AtomNum,"There is a molecule consisting of 29 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CCOC(=O)C1=C(C)N=c2sc(=Cc3c(-c4ccccc4)[nH]c4ccccc34)c(=O)n2C1c1cccs1
BondNum,"There is a molecule with 15 single bonds, 3 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",COc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4C3C2)cc1Cl
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,COc1ccc(C2(C[NH2+]C(C)C)CCCC2C)cc1
AddComponent,Modify the molecule Cc1ccc(C(=O)C(C)Sc2nnc(-c3ccc(F)cc3)n2CC[NH+]2CCOCC2)cc1C by adding a carboxyl.,Cc1cc(C(=O)C(C)Sc2nnc(-c3ccc(F)cc3)n2CC[NH+]2CCOCC2)ccc1CC(=O)O
SubComponent,Please substitute a halo in the molecule O=S(=O)(CCCCl)Nc1cc(Cl)cc(C(F)(F)F)c1 with a thiol.,O=S(=O)(CCCS)Nc1cc(Cl)cc(C(F)(F)F)c1
DelComponent,Please remove a amide from the molecule CC(=O)NCCNC(=O)NCCNC(=O)C1CC1.,CCCCNC(=O)NCCNC(C)=O
LogP,Modify the molecule CC(C)OCc1ccc(C(=O)NC(c2ccccc2)C(C)C(=O)[O-])cc1 to decrease its LogP value.,CC(C)OCc1ccc(C(=O)NCC(C)C(=O)[O-])cc1
MR,Please modify the molecule CC1(c2ccccc2N2CC(=O)NC(=O)C2)CCC[NH2+]1 to decrease its MR value.,CC1(c2ccccc2N2CC2=O)CCC[NH2+]1
QED,Optimize the molecule CC(=O)c1nnc(-c2ccc(N(C)C)cc2)n1C to have a lower QED value.,CC(=O)c1nnc(-c2ccc(N(C)C)cc2)n1Cc1ccccc1
AtomNum,"The molecule consists of 18 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)nc2)cc1
BondNum,"Please generate a molecule composed of 19 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",O=C(Cc1ccccc1)N1CCC2(CC1)Nc1cc(F)ccc1N1CCCC12
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, and 2 halo groups.",Cc1c(Cl)cccc1NC(=O)CNC(=O)C(C)Oc1ccccc1Cl
AddComponent,Add a hydroxyl to the molecule CCCC1c2cccn2CCN1C(=O)Nc1ccc(CC(=O)OCC)cc1.,CCCC1c2cccn2CCN1C(=O)Nc1ccc(CC(=O)OCC)cc1O
SubComponent,Please substitute a Cn1cc(Cc2ccc3c(c2)C(C)(C)CN3C(=O)C2CC(=O)N(c3cccc(C#N)c3)C2)cn1 in the molecule nitrile with a thiol.,Cn1cc(Cc2ccc3c(c2)C(C)(C)CN3C(=O)C2CC(=O)N(c3cccc(S)c3)C2)cn1
DelComponent,Modify the molecule amine by removing a CCC(=O)Nc1cc(NC(=O)CNc2ccc(Cl)cc2Cl)ccc1C.,CCC(=O)Nc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)ccc1C
LogP,Optimize the molecule CC1CCc2c(sc3nnn(CC(=O)NN=Cc4cccc([N+](=O)[O-])c4)c(=O)c23)C1 to have a higher LogP value.,CC1CCc2c(sc3nnn(CC(=O)NN=Cc4cc(-c5ccccc5)cc([N+](=O)[O-])c4)c(=O)c23)C1
MR,Please modify the molecule COCC(O)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1 to decrease its MR value.,COCCCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1
QED,Please modify the molecule CC(C)CC(CS)NC(=O)C(O)C([NH3+])Cc1ccccc1 to increase its QED value.,CC(C)CC(O)(CS)C([NH3+])Cc1ccccc1
AtomNum,"There is a molecule with 20 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",COc1ccc2c(NC(C)C(=O)NCC[NH3+])c(-c3ccccc3)[nH]c2c1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CN(CC1CCCO1)c1cccnc1C(N)=S
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amine group, 1 halo group, and 1 nitrile group.",COc1ccc(C)cc1C(C)Nc1cccc(F)c1C#N
AddComponent,Modify the molecule CC(NC(=O)CSc1nncn1NC(=O)C1CCCCC1)c1ccccc1 by adding a benzene ring.,CC(NC(=O)CSc1nncn1NC(=O)C1CCC(c2ccccc2)CC1)c1ccccc1
SubComponent,Please substitute a nitrile in the molecule CC(C)C12CC3CC(CC(C#N)(C3)C1)C2 with a carboxyl.,CC(C)C12CC3CC(CC(C(=O)[OH])(C3)C1)C2
DelComponent,Remove a amine from the molecule CC(C)Nc1nc(-c2cccs2)nc2ccccc12.,CC(C)c1nc(-c2cccs2)nc2ccccc12
LogP,Please optimize the molecule COc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1 to have a lower LogP value.,COS(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1
MR,Optimize the molecule NC(=S)NNS(=O)(=O)N1CCCCCC1 to have a lower MR value.,NC(=S)NS(=O)(=O)N1CCCCCC1
QED,Optimize the molecule CC1OCCN(C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)C1C to have a lower QED value.,CC1OC(C(=O)O)CN(C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)C1C
AtomNum,"There is a molecule consisting of 18 carbon atoms, and 4 oxygen atoms.",CCCCOOCCCCCCCCCC(=O)OCCCC
BondNum,"Please generate a molecule with 9 single bonds, 2 double bonds, and 2 rotatable bonds.",O=C1COCN1CP(=O)([O-])[O-]
FunctionalGroup,"The molecule consists of 1 ester group, 2 amine groups, and 1 sulfide group.",COC(=O)c1c(NC(=S)Nc2nc(C)cc(C)n2)sc2c1CCCCC2
AddComponent,Add a hydroxyl to the molecule [NH3+]Cc1cc(F)cc(N2CCOC3CCCC32)c1.,[NH3+]Cc1cc(F)cc(N2CCOC3(O)CCCC23)c1
SubComponent,Please substitute a OC1CCOC(C2(O)CCOCC2)C1 in the molecule hydroxyl with a nitro.,ONC1CCOC(C2(O)CCOCC2)C1
DelComponent,Modify the molecule amide by removing a CCN(CC)C(=O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1.,CCC(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1
LogP,Please optimize the molecule CC(Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1ccccc1 to have a lower LogP value.,CC(Oc1nn(-c2ccccc2)cc1S)C(=O)Nc1ccccc1
MR,Modify the molecule COc1nc2nc3c(cc2c(-c2ccccc2)c1C#N)CCC3 to decrease its MR value.,COc1cc(-c2ccccc2)c2cc3c(nc2n1)CCC3
QED,Modify the molecule CCOC(=O)c1ccc(C#N)c(CBr)c1F to have a lower QED value.,CCOC(=O)c1cccc(CBr)c1F
AtomNum,"The molecule is composed of 14 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",O=C(NCc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1[O-]
BondNum,"There is a molecule consisting of 16 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",c1cc(C[NH2+]C2CN3CCC2CC3)cc(C2CC2)c1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, 1 ester group, and 1 amine group.",C=CCC([NH3+])C(=O)OC1C(COP(=O)([O-])[O-])OC(n2cnc3c(N)ncnc32)C1O
AddComponent,Please add a benzene ring to the molecule CCOC(=O)c1ccccc1Nc1nc(C)cc(Nc2cc(C)cc(C)c2)n1.,Cc1cc(C)cc(Nc2cc(C)nc(Nc3ccccc3C(=O)OCCc3ccccc3)n2)c1
SubComponent,Please substitute a halo in the molecule Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)CNC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc2C)CC1 with a aldehyde.,CC(=O)c1ccc(CNC(=O)c2ccc(C)c(NC(=O)CNC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)Nc5ccc(F)cc5)ccc4C)CC3)c2)cc1
DelComponent,Please remove a halo from the molecule CCN(Cc1ccc(Cl)s1)C(=O)CNC(=O)c1ccc2c(c1)OCO2.,CCN(Cc1cccs1)C(=O)CNC(=O)c1ccc2c(c1)OCO2
LogP,Please modify the molecule CCCOc1ccc(-c2nc3c(c(NN)n2)CSC3)cc1 to decrease its LogP value.,CCCOc1nc2c(c(NN)n1)CSC2
MR,Please modify the molecule Cc1cccn(CC2(c3ccc(C4CC=CC=N4)cc3)NC(=O)NC2=O)c1=O to decrease its MR value.,Cc1cccn(CC2(C3CC=CC=N3)NC(=O)NC2=O)c1=O
QED,Please optimize the molecule CCCC1CCC2(CCC(=O)N2CCOC)CC1 to have a higher QED value.,CCCC1CCC2(CCC(=O)N2CCOC)CC1c1ccccc1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",CC[NH2+]C(C)c1ccc(OCCOCC(C)C)cc1Br
BondNum,"Please generate a molecule with 20 single bonds, 2 double bonds, and 3 rotatable bonds.",CCC1CCC(NC(=O)N2CCCC(O)C2)(C(=O)[O-])CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 ester groups, and 1 amide group.",CCN(C(=O)C1CCC[NH2+]1)C(C)(C(=O)OC)C(=O)OC(C)(C)c1cc(OC)cc(OC)c1
AddComponent,Please add a benzene ring to the molecule CCc1ccccc1OC(=O)Nc1ccc2cn[nH]c2c1.,O=C(Nc1ccc2cn[nH]c2c1)Oc1ccccc1CCc1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a OC1(CCOCc2ccccc2)C=CC=CC1 with a nitro.,ONC1(CCOCc2ccccc2)C=CC=CC1
DelComponent,Remove a benzene ring from the molecule C=C1C2=C(CC[NH+](Cc3ccc(N)cc3)C2)NN1Cc1cccc(OC)c1.,C=C1C2=C(CC[NH+](Cc3ccc(N)cc3)C2)NN1COC
LogP,Please optimize the molecule CCn1nnc(Cl)c1C(Cl)(Cl)Cl to have a higher LogP value.,CC(CC=O)n1nnc(Cl)c1C(Cl)(Cl)Cl
MR,Modify the molecule O=C(CSCc1cccc(Cl)c1)NCc1ccc(Cn2ccnc2)cc1 to have a higher MR value.,O=C(CSCc1cc(Cl)ccc1O)NCc1ccc(Cn2ccnc2)cc1
QED,Optimize the molecule Cc1cc(Cl)ccc1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1 to have a lower QED value.,Cc1cc(O)ccc1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1
AtomNum,"Please generate a molecule with 8 carbon atoms, and 5 nitrogen atoms.",Cc1nn2ccc(C#N)nc2c1N
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",Cn1nc(C(C)(C)NC(=O)OC(C)(C)C)c2cccc(F)c21
FunctionalGroup,"There is a molecule composed of 1 amine group, and 1 nitrile group.",CCCNC(C#N)CN(C)CC[NH+]1CCCC1
AddComponent,Please add a benzene ring to the molecule COC(=O)CCCCCCCCCCC(C)C(C)C(=O)OC.,COC(=O)CCCCC(CCCCCC(C)C(C)C(=O)OC)c1ccccc1
SubComponent,Substitute a nitrile in the molecule COc1cc2nc(NC(=O)C(Oc3ccc(C(=O)N4CC[NH2+]CC4)cc3)c3ccc(C#N)cc3)sc2cc1OC with a hydroxyl.,COc1cc2nc(NC(=O)C(Oc3ccc(C(=O)N4CC[NH2+]CC4)cc3)c3ccc(O)cc3)sc2cc1OC
DelComponent,Remove a C=C(C)[NH+]1CCC(c2ccc(-c3cc4cnc(Nc5ccc(N6CC[NH2+]CC6)cc5)nc4n(-c4nccs4)c3=O)c(C(F)F)c2)C1 from the molecule halo.,C=C(C)[NH+]1CCC(c2ccc(-c3cc4cnc(Nc5ccc(N6CC[NH2+]CC6)cc5)nc4n(-c4nccs4)c3=O)c(CF)c2)C1
LogP,Optimize the molecule CCC(OC)C(C)C1OC1C([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(O)C=CC=C(C)C1OC(=O)CC(O)CCC(C)(O)C(OC(C)=O)C=CC1C to have a lower LogP value.,CCC(OC)C(C)C1OC1C([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(O)C=CC=C(C)C1OC(=O)CC(O)CCC(C)(O)C(N)(OC(C)=O)C=CC1C
MR,Modify the molecule COc1ccc(C(C)NC(=O)c2ccc(OCC(N)=O)c(OC)c2)cc1F to increase its MR value.,COc1ccc(C(C)NC(=O)c2ccc(OCC(N)=O)c(OC)c2)cc1C#N
QED,Please modify the molecule COc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1OC to decrease its QED value.,COc1ccc(C(=O)OCC(=O)Nc2ncc(C(O)(F)F)cc2Cl)cc1OC
AtomNum,"Please generate a molecule composed of 27 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 phosphorus atom.",CCCCCCCCCCCCCCCCCCOCC(CNC(C)=O)OP(=O)([O-])OCC[NH+](C)C
BondNum,"There is a molecule with 10 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",O=C([O-])CC(O)(CC(=O)Oc1ccccc1)C(=O)[O-]
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 halo group.",COc1ccc(Cl)cc1Cn1nnc(-c2ccc(OC)c(OC)c2)n1
AddComponent,Add a hydroxyl to the molecule CSCCCCN1CC[NH+](CC(=O)[O-])CC1.,CSCCC(O)CN1CC[NH+](CC(=O)[O-])CC1
SubComponent,Substitute a halo in the molecule CCC([NH3+])Cc1ccc(C)cc1F with a nitro.,CCC([NH3+])Cc1ccc(C)cc1NO
DelComponent,Remove a O=CC(c1ccco1)C1CC1 from the molecule aldehyde.,c1coc(C2CC2)c1
LogP,Please optimize the molecule CC(CCCCC(=O)[O-])C(=Nc1ccc(C(O)[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1N)C1C=CC(Cl)=CC1 to have a higher LogP value.,CC(CCCCC(=O)[O-])C(=Nc1ccc(C(O)[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1)C1C=CC(Cl)=CC1
MR,Modify the molecule O=C(NCCSC(F)(F)F)c1cc([S-])ccc1Br to increase its MR value.,ONC(F)(F)SCCNC(=O)c1cc([S-])ccc1Br
QED,Optimize the molecule Cc1cc(F)cc(C2(C[NH3+])CCCC2)c1O to have a lower QED value.,Cc1cc(C(=O)[OH])cc(C2(C[NH3+])CCCC2)c1O
AtomNum,"There is a molecule consisting of 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 3 fluorine atoms.",Cc1c(C(C)NC(=O)c2cc(F)c(F)c(F)c2)cnn1C
BondNum,"The molecule is composed of 15 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 12 aromatic bonds.",N#CNC(=NCc1ccccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",Cc1nn(-c2ccccc2)cc1C(=O)N1CC[NH2+]C(C)C1C
AddComponent,Please add a benzene ring to the molecule COC(=O)C(C)n1cncc1C1CC[NH2+]CC1.,COC(=O)C(C)n1c(C2CC[NH2+]CC2)cnc1-c1ccccc1
SubComponent,Substitute a halo in the molecule O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1ccn(C2CCCC2)c1 with a nitro.,ONc1ccccc1N1C(=O)NC(=O)C(=Cc2ccn(C3CCCC3)c2)C1=O
DelComponent,Please remove a amine from the molecule CCCNc1onc2cc(F)ccc12.,CCCc1onc2cc(F)ccc12
LogP,Please modify the molecule Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccccc1C#N to increase its LogP value.,CC(=O)c1ccccc1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1C
MR,Optimize the molecule O=C(Nc1cc(Cl)ccn1)C1Cc2nc[nH]c2C[NH2+]1 to have a higher MR value.,CC(=O)c1ccnc(NC(=O)C2Cc3nc[nH]c3C[NH2+]2)c1
QED,Optimize the molecule COc1c(C(C)=CC(=O)Nc2ccc(F)cc2)cc2c(C)c(C)oc2c1C to have a lower QED value.,CC(=CC(=O)Nc1ccc(F)cc1)c1cc2c(C)c(C)oc2c(C)c1OCc1ccccc1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccc([N+](=O)[O-])c1C
BondNum,"The molecule contains 7 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",CCCn1nncc1-c1nc(C)c(C)nc1Cl
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 2 amide groups, and 1 sulfide group.",O=C(c1ccc(-c2ccccc2)cc1)N1CC([NH+]2CCN(C(=O)c3nccs3)C(c3ccccc3)C2)C1
AddComponent,Please add a benzene ring to the molecule CCNC(=O)C(OCn1cnc2c(N)nc(CC3CCN(C(=O)OC4CCNC4=O)CC3)nc21)C(O)CO.,CCNC(=O)C(OCn1cnc2c(N)nc(CC3CCN(C(=O)OC4C(=O)NCC4c4ccccc4)CC3)nc21)C(O)CO
SubComponent,Modify the molecule halo by substituting a CC(C)N(CC1CC1)c1ccc(C[NH3+])c(Br)c1 with a thiol.,CC(C)N(CC1CC1)c1ccc(C[NH3+])c(S)c1
DelComponent,Remove a amine from the molecule C=CCNOS(=O)(=O)CCC.,C=CCOS(=O)(=O)CCC
LogP,Modify the molecule O=C1CC2(CCN(C(=O)C3CCCN3S(=O)(=O)c3ccccc3)C2)CN1 to decrease its LogP value.,O=C1CC2(CCN(C(=O)C3CCCN3S(=O)(=O)c3cccc(O)c3)C2)CN1
MR,Modify the molecule CCCCCCCCCCCCCCCC(=O)N1CCC(CCON=CC(C)=O)CC1 to have a lower MR value.,CCCCCCCCCCCCCC1CCC(CCON=CC(C)=O)CC1
QED,Optimize the molecule COCC[NH+]1CCN(c2cnn(C)c(=O)c2Br)CC1C to have a lower QED value.,COCC[NH+]1CCN(c2cnn(C)c(=O)c2C#N)CC1C
AtomNum,"There is a molecule consisting of 32 carbon atoms, 6 oxygen atoms, and 2 nitrogen atoms.",C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(CC[NH+](CC)CC)C2c2ccc(OCCCC)c(OC)c2)cc1C
BondNum,"Please generate a molecule with 16 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccc(OC)cc1
FunctionalGroup,Please generate a molecule composed of and 2 benzene ring groups.,CC(C)(C)[Si](OCCCCCC(=O)[O-])(c1ccccc1)c1ccccc1
AddComponent,Add a amine to the molecule CC1CCCN(C(=O)c2ccc(NC(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)N5CCCC5)ccc4Cl)CC3)cc2)C1.,CC1CCCN(C(=O)c2ccc(NC(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)N5CCCC5)cc(N)c4Cl)CC3)cc2)C1
SubComponent,Please substitute a halo in the molecule CC12C(=O)Nc3ccccc3C(=O)N1C1c3cc(Cl)ccc3OCC1C2c1ccccc1 with a hydroxyl.,CC12C(=O)Nc3ccccc3C(=O)N1C1c3cc(O)ccc3OCC1C2c1ccccc1
DelComponent,Remove a halo from the molecule COc1cc(N)ccc1C(=O)Nc1cc(C)ccc1F.,COc1cc(N)ccc1C(=O)Nc1cccc(C)c1
LogP,Modify the molecule Oc1cccc(CC2CCCCC2)c1O to have a lower LogP value.,Oc1cccc(CC2CCC(O)CC2)c1O
MR,Optimize the molecule C=CC(CCC[NH3+])C1=[NH+]C(NCC2COC3=C(C=CC(C)C3)O2)C2CCCCC2=N1 to have a higher MR value.,C=C(N)C(CCC[NH3+])C1=[NH+]C(NCC2COC3=C(C=CC(C)C3)O2)C2CCCCC2=N1
QED,Please modify the molecule O=C([O-])c1cc(-c2ccc3ccccc3c2)n(-c2ncccc2C(F)(F)F)n1 to increase its QED value.,O=C([O-])c1cc(-c2ccc3ccccc3c2)n(-c2ncccc2C(F)F)n1
AtomNum,"Please generate a molecule with 12 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC(C)CC(=O)Nc1ccc(S(C)(=O)=O)cc1
BondNum,"Please generate a molecule consisting 23 single bonds, 5 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",NC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3cccc(C(=O)Nc4ccc(F)cc4)c3)CC2)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, and 1 sulfone group.",CCC(C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1
AddComponent,Please add a benzene ring to the molecule CC([NH3+])c1ccccc1C(O)C(F)(F)F.,[NH3+]C(Cc1ccccc1)c1ccccc1C(O)C(F)(F)F
SubComponent,Please substitute a nitrile in the molecule N#Cc1cccc(C(c2cccc(CNS(=O)[O-])n2)C(c2cccnc2)c2cccnc2)c1 with a halo.,O=S([O-])NCc1cccc(C(c2cccc(Br)c2)C(c2cccnc2)c2cccnc2)n1
DelComponent,Please remove a amide from the molecule CCCCC1CCC(C(=O)NCCCI)CC1.,CCCCC1CCC(CCCI)C1
LogP,Modify the molecule CCCONCCCN=[N+]=[N-] to have a higher LogP value.,CCCOCCCN=[N+]=[N-]
MR,Modify the molecule CCOc1ccc(C([NH2+]C)C(C)C)cc1 to decrease its MR value.,CCOC([NH2+]C)C(C)C
QED,Please optimize the molecule COCc1nc(-c2cc(F)cc(F)c2)sc1C[NH2+]C(C)C to have a lower QED value.,COCc1nc(-c2cc(F)cc(NO)c2)sc1C[NH2+]C(C)C
AtomNum,"The molecule has 22 carbon atoms, 3 oxygen atoms, and 6 nitrogen atoms.",COc1cccc2c1ncn2-c1nc(N2CCOCC2)cc(N2CC(C)OC(C)C2)n1
BondNum,"There is a molecule with 8 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",Fc1ccc(OCCNc2ccccc2F)cc1Cl
FunctionalGroup,"The molecule has 1 benzene ring group, and 4 halo groups.",CCCc1ccc2c(-c3cc(F)c(F)c(F)c3)c(F)ccc2c1
AddComponent,Add a hydroxyl to the molecule C=CC1(C)COC(=O)C12OC(c1ccc(OC)cc1)=CC2=O.,C=CC1(C)COC(=O)C12OC(c1ccc(OC)cc1O)=CC2=O
SubComponent,Substitute a halo in the molecule O=C(CCCc1ccc(Cl)cc1)NC1CCN(C(=O)NC2CCCCC2)CC1 with a nitrile.,N#Cc1ccc(CCCC(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1
DelComponent,Modify the molecule O=c1cc[nH]cc1S(=O)(=O)NCc1cc2c(s1)CCC2 by removing a amine.,O=c1cc[nH]cc1S(=O)(=O)Cc1cc2c(s1)CCC2
LogP,Modify the molecule COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cncs3)nn2)c1 to decrease its LogP value.,COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3scnc3O)nn2)c1
MR,Please modify the molecule Cc1cc(NC2(C[NH3+])CCC(C)CC2C)cc(C)c1Br to decrease its MR value.,Cc1cc(NC2(C[NH3+])CCC(C)CC2C)cc(C)c1O
QED,Optimize the molecule COCC[NH+](CC(O)COC)C1CC1 to have a higher QED value.,COCCC[NH+](CCOC)C1CC1
AtomNum,"The molecule consists of 17 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CC1CC(C)CN(C(=O)CS(=O)(=O)c2nnc(-c3ccccc3F)o2)C1
BondNum,"There is a molecule composed of 13 single bonds, 6 rotatable bonds, and 10 aromatic bonds.",CCc1c(C)nn(Cc2cc(C[NH2+]C3CC3)c(C)o2)c1C
FunctionalGroup,"The molecule is composed of 1 ester group, 2 thioether groups, and 1 sulfide group.",COC(=O)C1([NH2+]C2CC2)CCCC(SCCC(C)C)C1
AddComponent,Add a benzene ring to the molecule [NH3+]C1CC(C(=O)NCc2ccc3c(c2)CCC3)C1.,[NH3+]C1CC(C(=O)NCc2ccc3c(c2)CCC3)(c2ccccc2)C1
SubComponent,Substitute a halo in the molecule O=[N+]([O-])C(F)(F)COCOCC(F)(F)[N+](=O)[O-] with a hydroxyl.,O=[N+]([O-])C(O)(F)COCOCC(F)(F)[N+](=O)[O-]
DelComponent,Remove a CCC(OC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)c1ccc(Br)cc1 from the molecule benzene ring.,CCC(OC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)Br
LogP,Please modify the molecule O=C(NCc1ccccc1CN1CCCC1=O)c1ccc2cc[nH]c2c1 to increase its LogP value.,O=C(NCc1ccccc1CN1CCCC1=O)c1ccc2cc[nH]c2c1-c1ccccc1
MR,Modify the molecule FC1=NN=C(F)C(F)(F)N1c1nc(F)nnc1F to increase its MR value.,FC1=NN=C(F)C(F)(F)N1c1cnnc(F)n1
QED,Modify the molecule COc1cccc(-c2noc(C3=C(C)N(c4cc(F)cc(F)c4)C(=O)NC3c3ccc(F)cc3)n2)c1 to increase its QED value.,COc1cccc(-c2noc(C3=C(C)N(c4cc(F)cc(F)c4)C(=O)NC3c3ccccc3)n2)c1
AtomNum,"There is a molecule with 18 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1cc(C(=O)COC(=O)c2ccc(Cl)nc2)c(C)n1C1CCS(=O)(=O)C1
BondNum,"The molecule consists of 22 single bonds, 2 double bonds, 12 rotatable bonds, and 12 aromatic bonds.",CNN(CCCC1CCCOC1)C(=O)c1cccc(C(OCCNC(=O)[O-])c2ccccc2)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, 3 halo groups, and 1 sulfide group.",CC(Oc1cc(-n2cnc3cc(-c4ccnc(NC(=O)C[NH+](C)C)c4)ccc32)sc1C(=O)[O-])c1ccccc1C(F)(F)F
AddComponent,Please add a hydroxyl to the molecule N#Cc1ccc(C(=O)Nc2ccc(F)c(C34COC(C(F)(F)F)CC3CSC(N)=[NH+]4)c2)nc1.,N#Cc1cnc(C(=O)Nc2ccc(F)c(C34COC(C(F)(F)F)CC3CSC(N)=[NH+]4)c2)c(O)c1
SubComponent,Please substitute a COc1cc(C=NO)cc(Cl)c1OCCOc1cccc(C)c1 in the molecule hydroxyl with a nitrile.,COc1cc(C=NC#N)cc(Cl)c1OCCOc1cccc(C)c1
DelComponent,Please remove a amide from the molecule CC(=O)Nc1cccc(C(C)[NH2+]Cc2sccc2Br)c1.,CC([NH2+]Cc1sccc1Br)c1ccccc1
LogP,Please optimize the molecule [NH3+]C1(C(=O)Nc2cc(F)ccc2Br)CCC1 to have a lower LogP value.,[NH3+]C1(C(=O)Nc2cc(F)ccc2Br)CCC1O
MR,Please optimize the molecule CCOc1ccc(-c2coc3c(C)c(OCC)c(C(C)=CC(=O)Nc4ccccc4C)cc23)cc1 to have a lower MR value.,CCOc1ccc(-c2coc3c(C)c(OCC)c(C(C)=CC(=O)NC)cc23)cc1
QED,Modify the molecule O=C(COC(=O)C1CCCCN1S(=O)(=O)c1ccccc1)NCCc1ccc(OC(F)F)cc1 to increase its QED value.,O=C(OCCc1ccc(OC(F)F)cc1)C1CCCCN1S(=O)(=O)c1ccccc1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 silicon atom.",COCCOCCCCCCCC[N+](C)(C)CC[Si](OC)(OC)OC
BondNum,"There is a molecule consisting of 10 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)C(CCO)Nc1ccc(N)c(N)n1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ketone group, 1 thioether group, and 1 sulfide group.",CCC(=O)CCCOc1ccccc1SC
AddComponent,Add a benzene ring to the molecule C#CCCOc1ccc(CCC(C)[NH2+]CC)cc1.,C#CCC(Oc1ccc(CCC(C)[NH2+]CC)cc1)c1ccccc1
SubComponent,Substitute a nitrile in the molecule CS(=O)(=O)c1ccc(NC2CCCC2C#N)cc1 with a hydroxyl.,CS(=O)(=O)c1ccc(NC2CCCC2O)cc1
DelComponent,Remove a benzene ring from the molecule CCC([NH3+])C(Sc1ccc(Br)cc1)c1ccc(Br)s1.,CCC([NH3+])C(SBr)c1ccc(Br)s1
LogP,Modify the molecule CC1(c2cc(-c3cc(-c4cnc(OCC(F)F)cn4)no3)ccc2F)C[SH]2(=O)NCCCCN2C(N)=N1 to increase its LogP value.,CC1(c2cc(-c3cc(-c4cnc(OCC(F)F)cn4)no3)ccc2F)C[SH]2(=O)CCCCN2C(N)=N1
MR,Please optimize the molecule CNc1cc(N(Cc2ccncc2)C(=O)NC2C(Cl)=C(OC)C=C(OC)C2Cl)ncn1 to have a higher MR value.,CNc1cc(N(Cc2ccncc2)C(=O)NC2C(Cl)=C(OC)C=C(OC)C2(Cl)CC=O)ncn1
QED,Modify the molecule CC1(C)CN(C(=O)c2cc(N)ccc2Br)CCO1 to decrease its QED value.,CC1(CO)CN(C(=O)c2cc(N)ccc2Br)CCO1
AtomNum,"There is a molecule consisting of 20 carbon atoms, and 5 nitrogen atoms.",CCN(CC)c1ccc(Nc2nccc(N3CCCCCC3)n2)cc1
BondNum,"Please generate a molecule with 16 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCOCc1nc(NN)cc(NN2C(C)CCCC2C)n1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 1 halo group.",CCN(Cc1cccc(F)c1)C(=O)CCOC(C)C
AddComponent,Add a nitrile to the molecule C[NH2+]C(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)[O-])c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)([NH3+])C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(OC3OC(C[NH2+]Cc4ccc(-c5ccc(Cl)cc5)o4)C(O)C(O)C3O)C(O)C2O)Oc2ccc(cc2Cl)C1O.,C[NH2+]C(CC(C)C)C(=O)NC1C(=O)NC(C(C#N)C(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)[O-])c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)([NH3+])C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(OC3OC(C[NH2+]Cc4ccc(-c5ccc(Cl)cc5)o4)C(O)C(O)C3O)C(O)C2O)Oc2ccc(cc2Cl)C1O
SubComponent,Substitute a C=C(O)C1CCOc2cc(Oc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)ccc21 in the molecule hydroxyl with a carboxyl.,C=C(C(=O)[OH])C1CCOc2cc(Oc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)ccc21
DelComponent,Modify the molecule benzene ring by removing a COc1cc(OC)c2c(c1Cl)OC1(C2=O)C([NH2+]Cc2ccccc2)=CC(=O)CC1C.,C[NH2+]C1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O
LogP,Optimize the molecule C#CCC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] to have a higher LogP value.,C#CCC(CC(C)C)(NC(=O)C(CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]
MR,Optimize the molecule C[Si](C)(C)CCOCOc1cc(COC2C[NH2+]CCC2c2ccc(OCCO)cc2)cc2ccccc12 to have a higher MR value.,CC(=O)CCOc1ccc(C2CC[NH2+]CC2OCc2cc(OCOCC[Si](C)(C)C)c3ccccc3c2)cc1
QED,Please modify the molecule CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)CC(C)CCl to decrease its QED value.,CC(CCl)CS(=O)(=O)N(Cc1ccc2c(c1)OCO2)C(C)c1ccccc1
AtomNum,"There is a molecule composed of 22 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC1(C)C(=O)C2(C(=O)Nc3ccccc3Sc3ccccc3)CCC1C2
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",C[NH+]=C(NCc1ccccc1C)NCc1ncccc1C
FunctionalGroup,"The molecule consists of 1 hydroxyl group, and 1 amide group.",O=C(CC1CC2CCC(C1)[NH2+]2)NCC1(O)CCOC1
AddComponent,Add a hydroxyl to the molecule C#CC[NH+]1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(C[NH+]5CCOCC5)c4)cc23)CC1.,C#CC[NH+]1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(C[NH+]5CCOCC5)c4O)cc23)CC1
SubComponent,Modify the molecule halo by substituting a CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl with a thiol.,CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1cc(S)ccc1Cl
DelComponent,Modify the molecule OC1(CSc2ccccc2)CCCCCC1 by removing a hydroxyl.,c1ccc(SCC2CCCCCC2)cc1
LogP,Please optimize the molecule O=C([O-])CCCC(O)[NH2+]Cc1ccc(-c2nncnn2)cc1 to have a higher LogP value.,N#CC(CCCC(=O)[O-])[NH2+]Cc1ccc(-c2nncnn2)cc1
MR,Modify the molecule CC(Nc1ccc(Cl)cc1N)c1cccc(Cl)c1 to have a higher MR value.,CC(Nc1ccc(C(=O)[OH])cc1N)c1cccc(Cl)c1
QED,Modify the molecule COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)c1ccc2nc3ccccc3cc2c1 to have a higher QED value.,COc1cc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)c1ccc2nc3ccccc3cc2c1
AtomNum,"The molecule contains 27 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(C)c1ccccc1OCCn1c(C(C)NC(=O)C2CCCCC2)nc2ccccc21
BondNum,"The molecule is composed of 21 single bonds, 2 double bonds, 13 rotatable bonds, and 18 aromatic bonds.",CCCCCCC(Oc1ccc(-c2ccc(C(C)(C)C)cc2)c(Cl)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfone group.",CC(C)Cc1nc(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)no1
AddComponent,Add a hydroxyl to the molecule COCc1ccc(C(=O)N2CC(CO)C(C[NH+]3CCOCC3)C2)o1.,COCc1ccc(C(=O)N2CC(CO)C(O)(C[NH+]3CCOCC3)C2)o1
SubComponent,Substitute a nitrile in the molecule CCNc1ccc(C#N)cc1[NH+]=C1SC(=C2Sc3ccc(C)cc3N2C)C(=O)N1Cc1ccccc1 with a aldehyde.,CC(=O)c1ccc(NCC)c([NH+]=C2SC(=C3Sc4ccc(C)cc4N3C)C(=O)N2Cc2ccccc2)c1
DelComponent,Please remove a amide from the molecule CC(C)[NH+]1CC(O)CC1c1nnc2n1CCN(C(=O)CCCc1ccccc1)C2.,CC(C)[NH+]1CC(O)CC1c1nnc2n1CCC(Cc1ccccc1)C2
LogP,Modify the molecule O=C1OC2CC1(O)C=C(c1cccc(O)c1)C2O to decrease its LogP value.,ONC12C=C(c3cccc(O)c3)C(O)C(C1)OC2=O
MR,Please optimize the molecule O=S(=O)(Nc1ccc(N=Nc2ccccc2)cc1)c1cnc(Cl)c(Br)c1 to have a lower MR value.,N#Cc1ncc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1Br
QED,Please optimize the molecule COc1nccnc1C(=O)c1cccc(Cl)c1 to have a lower QED value.,CC(=O)c1cccc(C(=O)c2nccnc2OC)c1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, and 4 nitrogen atoms.",Cc1cnnc(NC(C)C[NH+]2CCCCC2)c1
BondNum,"The molecule consists of 16 single bonds, and 3 rotatable bonds.",CCC1CN(CC2CCCO2)CCC[NH2+]1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CC([NH2+]C1(CO)CCCC1)C(=O)Nc1ccccc1
AddComponent,Add a benzene ring to the molecule O=C1C(=C2C=Cc3ccccc3C2)CC2(O)C3Cc4ccc(O)c5c4C2(CC[NH+]3CC2CC2)C1O5.,O=C1C(=C2C=Cc3ccccc3C2c2ccccc2)CC2(O)C3Cc4ccc(O)c5c4C2(CC[NH+]3CC2CC2)C1O5
SubComponent,Substitute a CCC(C)(C)c1ccc(-c2ccc(NC(=O)C(C#N)=C(C)O)s2)cc1 in the molecule hydroxyl with a carboxyl.,CCC(C)(C)c1ccc(-c2ccc(NC(=O)C(C#N)=C(C)C(=O)[OH])s2)cc1
DelComponent,Remove a amide from the molecule O=C(NC1CC1)C(Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccc(F)cc1.,Fc1ccc(C2(Sc3nnc(-c4cccs4)n3Cc3ccccc3)CC2)cc1
LogP,Optimize the molecule C[NH2+]CC1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 to have a lower LogP value.,C[NH2+]CC1CCN(C(=O)c2cnn(C)c2)CC1
MR,Modify the molecule CC(C)(C)[NH2+]Cc1nc(COc2cccc(Cl)c2)cs1 to increase its MR value.,CC(C)(C)[NH2+]Cc1nc(COc2cccc(C(=O)[OH])c2)cs1
QED,Optimize the molecule O=C1CCC=CCN(c2ccc3ccccc3c2)C(=O)C2N(CCO)C(=O)C3C(C(=O)OC(c4ccccc4)CN1)C1OC32C=C1Br to have a higher QED value.,CCN1C(=O)C2C3C(=O)OC(c4ccccc4)CNC(=O)CCC=CCN(c4ccc5ccccc5c4)C(=O)C1C21C=C(Br)C3O1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 4 oxygen atoms, and 1 chlorine atom.",COc1c(OC)c(O)c2c3c(Cl)c4cc2c1OC3C(C)(C)C4
BondNum,"Please generate a molecule with 14 single bonds, 5 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",C=CC1CC(S(=O)(=O)c2ccc(Cl)cc2)C(C)(C=CC(=O)OC)O1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 halo group.",C[NH+](Cc1cc(F)cc(C#CC[NH3+])c1)Cc1ccco1
AddComponent,Modify the molecule CC(C#N)NCc1cccc(O)c1 by adding a aldehyde.,CC(C#N)NCc1cc(O)cc(CC=O)c1
SubComponent,Please substitute a CC(C)CC(NC(=O)C(CC(=O)[O-])NC(=O)C([NH3+])CO)C(=O)NCC(=O)[O-] in the molecule hydroxyl with a carboxyl.,CC(C)CC(NC(=O)C(CC(=O)[O-])NC(=O)C([NH3+])CC(=O)[OH])C(=O)NCC(=O)[O-]
DelComponent,Please remove a N#CC1=CC=CC(C2(CI)CCCO2)C1 from the molecule halo.,CC1(C2C=CC=C(C#N)C2)CCCO1
LogP,Modify the molecule CC1CCCN(C(=O)COC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 to have a higher LogP value.,CC1CCCN(C(=O)COC(=O)CSc2nnc(-c3ccccc3S)n2-c2ccccc2)C1
MR,Please optimize the molecule C#CCCCCNC(=O)Nc1ccccc1F to have a higher MR value.,C#CCCCCNC(=O)Nc1ccccc1C#N
QED,Please modify the molecule CC(CCn1ccc(-c2ccc(C3CC(CO)C3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O to decrease its QED value.,CC(CCn1ccc(-c2ccc(C3CC(CS)C3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
AtomNum,"The molecule contains 14 carbon atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CCCc1cc(Cl)nc(Cc2cccc(F)c2)n1
BondNum,"The molecule has 17 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amine groups, and 1 halo group.",CC(C)Nc1nc(Cl)nc(Nc2ccc(-c3nc4ccccc4o3)cc2)n1
AddComponent,Add a hydroxyl to the molecule CC(=O)c1sc2nc3c(cc2c1N)CC(C)CC3.,CC1CCc2nc3sc(C(=O)CO)c(N)c3cc2C1
SubComponent,Substitute a halo in the molecule CC(C)[NH+](CC1CC(n2cc(Cl)c3c(N)ncnc32)C2OC(C)(C)OC12)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1 with a carboxyl.,CC(C)[NH+](CC1CC(n2cc(C(=O)[OH])c3c(N)ncnc32)C2OC(C)(C)OC12)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1
DelComponent,Modify the molecule benzene ring by removing a Cc1cc(C)n(C2CN(C(=O)NC(c3cccnc3)c3ccc(C)c(C)c3)C2)n1.,Cc1cc(C)n(C2CN(C(=O)NC(C)(C)c3cccnc3)C2)n1
LogP,Please optimize the molecule CNC(CCC(C)(C)C)C(F)(F)F to have a lower LogP value.,CNC(CCC(C)(C)C)C(F)(F)S
MR,Please optimize the molecule Cc1cc(C2(S(C)(=O)=O)C=CC(F)(c3ccccc3)C(F)=C2)cc(C)c1C to have a higher MR value.,Cc1cc(C2(S(C)(=O)=O)C=CC(C#N)(c3ccccc3)C(F)=C2)cc(C)c1C
QED,Modify the molecule COc1ccc(CC([NH3+])C2C[NH+](C(C)C)CCO2)cc1F to decrease its QED value.,COc1ccc(CC([NH3+])C2C[NH+](C(C)C)CCO2)cc1O
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 2 bromine atoms.",CC(C)C(CNC(=O)c1cc(Br)c(Br)s1)C(=O)[O-]
BondNum,"There is a molecule consisting of 16 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",NC(=O)C1CCN(c2cc(Br)ccc2C[NH2+]C2CC2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 sulfide group, and 1 sulfone group.",CS(=O)(=O)c1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1
AddComponent,Modify the molecule O=C([O-])CNC(=O)C1=C([O-])C(CC2CCCCC2)(C(=O)NC2CCCCC2)C(=O)NC1=O by adding a aldehyde.,O=CCC1CCCC(CC2(C(=O)NC3CCCCC3)C(=O)NC(=O)C(C(=O)NCC(=O)[O-])=C2[O-])C1
SubComponent,Modify the molecule halo by substituting a Cn1c(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc(=O)n(C)c1=O with a carboxyl.,Cn1c(NC(=O)c2cc(-c3ccc(C(=O)[OH])cc3)nc3ccccc23)cc(=O)n(C)c1=O
DelComponent,Please remove a amine from the molecule COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Br)cn1.,COC(=O)c1ccccc1S(=O)(=O)c1ccc(Br)cn1
LogP,Please modify the molecule O=C1CN(c2ccc3cc(Br)ccc3n2)CCN1 to decrease its LogP value.,O=C1CN(c2ccc3ccccc3n2)CCN1
MR,Optimize the molecule Cc1nc(C(=O)N2CCCC3(CC[NH+](Cc4ccc(CC=O)cc4)CC3)C2)cs1 to have a lower MR value.,Cc1nc(C(=O)N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cs1
QED,Modify the molecule CC(Nc1nccc(N2C(=O)OCC2C(C)OC(C)(C)C)n1)c1nc(-c2cccc(OC(F)F)c2)no1 to have a higher QED value.,CC(c1nccc(N2C(=O)OCC2C(C)OC(C)(C)C)n1)c1nc(-c2cccc(OC(F)F)c2)no1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CN(C(=O)c1cc(N)nc(C(C)(C)C)c1)C1CCC1
BondNum,"The molecule consists of 21 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)c(C(C)CO)c2)CC1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 2 amide groups, and 1 amine group.",CCCOc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)CCc2ccccc2)cc1
AddComponent,Please add a hydroxyl to the molecule C[Si](C)(C)CCOCn1ccc2cc(-c3cnc4c(c3)[nH]c(=O)n4COCC[Si](C)(C)C)cnc21.,C[Si](C)(C)CCOCn1ccc2cc(-c3cnc4c(c3)[nH]c(=O)n4COCC(O)[Si](C)(C)C)cnc21
SubComponent,Please substitute a halo in the molecule Nc1cccc(Cl)c1-c1nc(N2CCCC2)no1 with a aldehyde.,CC(=O)c1cccc(N)c1-c1nc(N2CCCC2)no1
DelComponent,Remove a benzene ring from the molecule CCCn1ncnc1CC(=O)c1cccc(C)c1.,CCCn1ncnc1CC(C)=O
LogP,Modify the molecule O=C([O-])CCCn1cc(N(CCCl)CCCl)c(=O)[nH]c1=O to have a higher LogP value.,O=C([O-])CCCn1cc(N(CCCl)CC(Cl)c2ccccc2)c(=O)[nH]c1=O
MR,Modify the molecule CCC(C)C1OC(N)=[NH+]C1=O to increase its MR value.,CC(S)C(C)C1OC(N)=[NH+]C1=O
QED,Modify the molecule CC[NH+]1CCCC(O)(C2(C#N)CCC(C(C)C)CC2)CC1 to have a higher QED value.,CC[NH+]1CCC(c2ccccc2)C(O)(C2(C#N)CCC(C(C)C)CC2)CC1
AtomNum,"There is a molecule with 18 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cc(C(=O)COC(=O)c2cccn2C)c(C)n1C1CCS(=O)(=O)C1
BondNum,"There is a molecule consisting of 15 single bonds, 2 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)NCCCN1CC[NH+](CCc2ccccc2)CC1
FunctionalGroup,"There is a molecule composed of 2 amine groups, and 1 sulfide group.",CNc1nc(NC(C)c2cccs2)nc(-n2cncn2)n1
AddComponent,Add a benzene ring to the molecule NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C3CCCN(C(=O)c4cccs4)C3)cc2)CC1.,NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C3CCCN(C(=O)c4cc(-c5ccccc5)cs4)C3)cc2)CC1
SubComponent,Substitute a halo in the molecule O=C(C1=CCCCO1)c1cccc(Cl)c1F with a hydroxyl.,O=C(C1=CCCCO1)c1cccc(O)c1F
DelComponent,Modify the molecule COc1ccc(N(CC(=O)NCCCSCc2ccco2)S(=O)(=O)c2ccccc2)cc1OC by removing a benzene ring.,COc1ccc(N(CC(=O)NCCCSCc2ccco2)[SH](=O)=O)cc1OC
LogP,Optimize the molecule [NH3+]C1C(=O)Nc2cc(OCC(F)(F)C(F)F)ccc21 to have a lower LogP value.,[NH3+]C1C(=O)Nc2cc(OCC(F)C(F)F)ccc21
MR,Optimize the molecule Cc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1Cl to have a lower MR value.,Cc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1C#N
QED,Modify the molecule Cc1cnc(C(=O)N2CCCC(CO)(CCCc3ccccc3)C2)cn1 to have a lower QED value.,Cc1cnc(C(=O)N2CCCC(CI)(CCCc3ccccc3)C2)cn1
AtomNum,"Please generate a molecule with 24 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",Cc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)CC(C)C)C(=O)[O-])cc3)cnc2[nH]1
BondNum,"Please generate a molecule composed of 40 single bonds, 3 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",COC(=O)C(Cc1ccccc1)NC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)Cc5cnn(-c6ccccc6)c5C(C)(C)C4CCC3(C)C1(C)CC2
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 nitro group, and 1 halo group.",COc1cc(Br)c(C=C(C)[N+](=O)[O-])cc1OC
AddComponent,Add a benzene ring to the molecule CCCCC(CC)COCCCNC(=O)c1cnc2n(c1=O)CCS2.,CCCCC(CC)COCC(CNC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1
SubComponent,Modify the molecule nitrile by substituting a N#Cc1ccc(CN2CC[NH+](Cc3cccs3)CC2)cc1 with a halo.,Brc1ccc(CN2CC[NH+](Cc3cccs3)CC2)cc1
DelComponent,Please remove a benzene ring from the molecule CCCCCCCCCCc1cccc(O)c1Cc1c(O)cccc1CCCCCCCCCC.,CCCCCCCCCCOCc1c(O)cccc1CCCCCCCCCC
LogP,Please modify the molecule O=C([O-])C1CC=CCC1C(=O)NCC(O)CO to increase its LogP value.,CC(O)CNC(=O)C1CC=CCC1C(=O)[O-]
MR,Modify the molecule Cc1cc(Sc2ncccn2)ccc1NC(=O)NCC(CC(C)C)[NH+]1CCOCC1 to decrease its MR value.,CC(C)CC(CNC(=O)N[SH](C)c1ncccn1)[NH+]1CCOCC1
QED,Please optimize the molecule COc1cc(-c2cc(C=O)ccc2F)sn1 to have a lower QED value.,COc1cc(-c2cc(C=O)ccc2S)sn1
AtomNum,"There is a molecule with 10 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(C)(O)C[NH2+]Cc1cnn(CCO)c1
BondNum,"There is a molecule consisting of 10 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CN1C(=O)COc2ccc(CC(=O)Nc3ccccc3)cc21
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",CCn1cc(C(=O)Nc2ccccc2C(C)C)c(=O)c2ccc(C)nc21
AddComponent,Modify the molecule CSC(=NC(=O)c1cc2ccccc2n1C)SC by adding a carboxyl.,CSC(=NC(=O)c1c(C(=O)O)c2ccccc2n1C)SC
SubComponent,Modify the molecule C=C[NH+](C)C(C(C(=C)C)=C(C)N(NC)c1cccc(C(F)(F)F)c1)c1ccc(C)cc1 by substituting a halo with a hydroxyl.,C=C[NH+](C)C(C(C(=C)C)=C(C)N(NC)c1cccc(C(O)(F)F)c1)c1ccc(C)cc1
DelComponent,Modify the molecule amide by removing a CCOCC(C)NC(=O)C1CCC(=O)NC1.,CCOCC(C)NC(=O)C1CC1
LogP,Optimize the molecule Cc1ccc(NC2N[NH2+]NC2C(=O)Nc2ccc(C)c(Cl)c2)cc1 to have a lower LogP value.,Cc1ccc(NC2N[NH2+]NC2C(=O)Nc2ccc(C)c(NO)c2)cc1
MR,Optimize the molecule CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O to have a higher MR value.,CC1OC(OC2C(CC(=O)[OH])OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
QED,Modify the molecule CON1Cc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2C=C1[NH2+]CCN(C)CCS(C)(=O)=O to decrease its QED value.,CN(CC[NH2+]C1=Cc2c(ncnc2Nc2ccc(OCc3ccccc3)cc2)CN1OCc1ccccc1)CCS(C)(=O)=O
AtomNum,"Please generate a molecule with 36 carbon atoms, 1 chlorine atom, and 2 phosphorus atoms.",Clc1cccc(P(c2ccccc2)c2ccccc2)c1-c1ccccc1P(c1ccccc1)c1ccccc1
BondNum,"There is a molecule with 12 single bonds, 8 rotatable bonds, and 16 aromatic bonds.",Cc1cccc(C)c1OCC(O)Cn1c(NCCO)nc2ccccc21
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,Cc1c(NC(=O)N2CC3C[NH2+]CC3C2)cnn1-c1ccccc1
AddComponent,Modify the molecule O=C1CC(C[N+](=O)[O-])c2c(Cl)cccc21 by adding a amine.,Nc1cc(Cl)c2c(c1)C(=O)CC2C[N+](=O)[O-]
SubComponent,Modify the molecule Cc1cccn2c(=O)c3cc(C#N)c(=[NH2+])n(CCOCCO)c3nc12 by substituting a nitrile with a halo.,Cc1cccn2c(=O)c3cc(Cl)c(=[NH2+])n(CCOCCO)c3nc12
DelComponent,Remove a halo from the molecule Cc1cc(F)cc(CC(Cl)C(N)=O)c1.,Cc1cccc(CC(Cl)C(N)=O)c1
LogP,Optimize the molecule N#Cc1ccc(CSCc2cccc(C(F)(F)F)c2)cc1 to have a lower LogP value.,N#CCSCc1cccc(C(F)(F)F)c1
MR,Please modify the molecule CC(C)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C(=O)c1ccco1 to increase its MR value.,CC(C)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(NO)c3)CC2)cc1)C(=O)c1ccco1
QED,Modify the molecule CN(C(=O)N1CCCC(NC(=O)C=Cc2ccc(Cl)cc2)C1)c1ccccc1 to have a higher QED value.,CN(C(=O)N1CCCC(NC(=O)C=CCl)C1)c1ccccc1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCOc1ccc(NC(=O)c2cnn(C)c2)cc1C[NH3+]
BondNum,"There is a molecule composed of 30 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 5 aromatic bonds.",C[NH+]1CC(C=CC[NH+]2CCC(F)(C(=O)N3CCC(Oc4cc(C(F)(F)F)sc4C#N)CC3)CC2)C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 halo groups.",Cc1ccc(-c2cc(Cl)nc(Cl)c2)cc1
AddComponent,Add a hydroxyl to the molecule O=C([O-])C(=NO)C(=O)CCOCc1ccccc1.,O=C([O-])C(=NO)C(=O)CCOCc1ccc(O)cc1
SubComponent,Please substitute a CCOc1ccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccc(Cl)cc4)c3C)nc2C)cc1 in the molecule halo with a thiol.,CCOc1ccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccc(S)cc4)c3C)nc2C)cc1
DelComponent,Please remove a amine from the molecule [NH3+]CC(Nc1ccccc1Cl)c1cccnc1.,[NH3+]CC(c1cccnc1)c1ccccc1Cl
LogP,Please modify the molecule CCNC(=O)CNC(=O)c1c(N)cnn1CC to decrease its LogP value.,CCNC(=O)CNC(=O)c1c(N)cnn1CCN
MR,Modify the molecule Cc1cc(C)c2c(c1)C(=O)C(=NO)CCO2 to have a lower MR value.,Cc1cc(C)c2c(c1)C(=O)C(=N)CCO2
QED,Modify the molecule O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccccc1 to increase its QED value.,O=CNCc1ccc(NC(=O)c2cccnc2)cc1
AtomNum,"The molecule is composed of 13 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1cccc(CS(=O)(=O)NC2CCOCC2O)c1
BondNum,"The molecule contains 10 single bonds, 2 double bonds, 2 rotatable bonds, and 16 aromatic bonds.",Cc1c(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)sc2ncn(C)c(=O)c12
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 1 amine group.",O=C1CCCCN1CCNc1cncc(Oc2ccc(-c3ccc(N4CCOCC4)nc3)cc2)n1
AddComponent,Please add a benzene ring to the molecule Cc1ccccc1P(CC1C(C)C2CCC1C1C2CC1P(C(C)(C)C)C(C)(C)C)c1ccccc1C.,Cc1ccccc1P(CC1C(C)C2CCC1C1C2CC1P(C(C)(C)C)C(C)(C)C)c1cc(-c2ccccc2)ccc1C
SubComponent,Please substitute a halo in the molecule COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Cl)cc([N+](=O)[O-])c2OCC(=O)Nc2ccccc2C)cc1C(C)C with a nitrile.,COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C#N)cc([N+](=O)[O-])c2OCC(=O)Nc2ccccc2C)cc1C(C)C
DelComponent,Please remove a CCC1NC(=O)C(C(C)C)N(C(C)c2ccc(C)s2)C1=O from the molecule amide.,Cc1ccc(C2(C)C(C)NC(=O)C2C(C)C)s1
LogP,Please modify the molecule O=C([O-])C([NH2+]C1CCCCCC1)c1ccc2c(c1)CCO2 to decrease its LogP value.,O=CCC1CCCCC([NH2+]C(C(=O)[O-])c2ccc3c(c2)CCO3)C1
MR,Modify the molecule CC(C)CNc1nc(NCc2ccc(C3CCCCC3)cc2)nc2c1ncn2CCOS(N)(=O)=O to have a lower MR value.,CC(C)CNc1nc(NCc2ccc(C3CCCCC3)cc2)nc2c1ncn2CCO[SH](=O)=O
QED,Modify the molecule C[NH+]=C(NCc1cc(C(C)C)no1)NCc1ncc(C)c(OC)c1C to have a higher QED value.,COc1c(C)cnc(CNC(C)NCc2cc(C(C)C)no2)c1C
AtomNum,"The molecule is composed of 19 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCCCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nc(C)c1C
BondNum,"There is a molecule composed of 29 single bonds, 6 double bonds, and 2 rotatable bonds.",C=C1C=CC(OC(C)=O)C2(C)C=CC(O)C(C)C2C(OC(C)=O)C2(O)C(C)C(=O)OC2C1Cl
FunctionalGroup,"The molecule has 1 hydroxyl group, and 1 halo group.",C=Cc1c(Cl)c(C)nc2ccc(-c3cnc(C(C)O)nc3)cc12
AddComponent,Modify the molecule CCS(=O)(=O)c1ccc(NCC(=O)NC(C)(C#N)C(C)C)cc1 by adding a hydroxyl.,CCS(=O)(=O)c1ccc(NCC(=O)NC(C#N)(CO)C(C)C)cc1
SubComponent,Please substitute a halo in the molecule Cc1cccnc1NCCc1ccc(Cl)cc1Cl with a carboxyl.,Cc1cccnc1NCCc1ccc(C(=O)[OH])cc1Cl
DelComponent,Modify the molecule COc1ccc(S(=O)(=O)NCCn2ccnc2-c2ncccn2)cc1 by removing a benzene ring.,COS(=O)(=O)NCCn1ccnc1-c1ncccn1
LogP,Please optimize the molecule Cc1cccc(NC(=O)C(C)OCc2ccccc2)n1 to have a lower LogP value.,COC(C)C(=O)Nc1cccc(C)n1
MR,Modify the molecule CC(C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 to have a lower MR value.,CC(C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2O)CC1
QED,Modify the molecule CC(C)(C)N([O-])C(O)C(=O)c1cc(O)cc(O)c1 to have a higher QED value.,CC(C)(C)N([O-])C(C#N)C(=O)c1cc(O)cc(O)c1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",C=CCN(CC(O)c1ccc(O)c(CO)n1)c1ccc2c(c1)OCO2
BondNum,"The molecule consists of 5 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",O=C([O-])c1ccc(Cl)cc1Cc1ccccn1
FunctionalGroup,There is a molecule with and 1 halo group.,CCOC(C)(OCC)[Si]CCCBr
AddComponent,Modify the molecule Nc1cc(CC(=O)c2ccc3ccccc3n2)ccn1 by adding a amine.,Nc1nccc(CC(=O)c2ccc3ccccc3n2)c1N
SubComponent,Substitute a hydroxyl in the molecule CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCC with a aldehyde.,CC(=O)CC1OC(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCC)C(O)C(O)C1O
DelComponent,Modify the molecule CC(C)c1ccc(C(=O)c2ncc(-c3cnc4[nH]cc(C=CC(N)=O)c4c3)cc2F)cc1 by removing a amide.,Cc1c[nH]c2ncc(-c3cnc(C(=O)c4ccc(C(C)C)cc4)c(F)c3)cc12
LogP,Modify the molecule CC1([Si](C)(C)C)SC2CCCCC2S1=O to have a lower LogP value.,CC1([Si](C)(C)C)SC2(CC=O)CCCCC2S1=O
MR,Optimize the molecule CSc1ccc(C(=O)N2CC[NH+](CC(N)=S)CC2)cc1 to have a higher MR value.,NC(=S)C[NH+]1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1
QED,Please optimize the molecule CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCCCSSCCCCC(=O)NCCOP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC to have a lower QED value.,CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCCCSSCCCCC(=O)NCCOP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(O)CCCCCCC
AtomNum,"There is a molecule composed of 22 carbon atoms, 4 nitrogen atoms, and 1 chlorine atom.",N#Cc1ccc(-c2ccnc(-c3cccc(-c4cc(Cl)ccn4)n3)c2)cc1
BondNum,"The molecule consists of 11 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COc1cccc(NC(=O)c2cccc(C(=O)NCC(C)C)c2)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",CN(C)c1ccc(NC(=O)CC[NH+]2CCCCCC2)cc1
AddComponent,Add a benzene ring to the molecule O=C(Cc1ccc(Cl)cc1)Cc1cccnc1.,O=C(Cc1ccc(Cl)cc1)Cc1cnccc1-c1ccccc1
SubComponent,Substitute a halo in the molecule CC(OC(=O)c1cccc(OCC2CCCO2)c1)c1nc2ccccc2n1C(F)F with a nitrile.,CC(OC(=O)c1cccc(OCC2CCCO2)c1)c1nc2ccccc2n1C(F)C#N
DelComponent,Remove a benzene ring from the molecule C=C(C)C(=O)OCc1ccc(C(=O)Oc2ccccc2)cc1.,C=C(C)C(=O)OCc1ccc(C(=O)O)cc1
LogP,Modify the molecule CC1(C)OC2OC(C=Cc3ccc(-c4ccc(Cl)cc4)cc3)C(CC(=O)[O-])C2O1 to have a lower LogP value.,CC1(C)OC2OC(C=Cc3ccc(-c4ccc(C#N)cc4)cc3)C(CC(=O)[O-])C2O1
MR,Please optimize the molecule Cc1ccc2cc3c(nc2c1)Nc1nnc(-c2ccccc2Cl)n1N=C3 to have a lower MR value.,Cc1ccc2cc3c(nc2c1)Nc1nnc(-c2ccccc2C#N)n1N=C3
QED,Please modify the molecule Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C(=O)[O-])c1 to decrease its QED value.,Cc1ccc(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C(=O)[O-])c1
AtomNum,"The molecule is composed of 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",COc1ccc(N)cc1OCc1cccc(C#N)c1F
BondNum,"The molecule contains 22 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C(COc1cccnc1)N1CCC2(CCCN(C3CCOCC3)C2=O)C1
FunctionalGroup,The molecule contains and 1 amide group.,CC(C)(C)n1cc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)nn1
AddComponent,Modify the molecule [NH3+]C1(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)CCCCC1 by adding a hydroxyl.,[NH3+]C1(C(=O)N2CCN(C(=O)C(O)CCc3ccccc3)CC2)CCCCC1
SubComponent,Please substitute a hydroxyl in the molecule O=C(CNC(=O)COc1ccccc1)NCCCO with a carboxyl.,O=C([OH])CCCNC(=O)CNC(=O)COc1ccccc1
DelComponent,Remove a halo from the molecule O=C(Nc1cc([N+](=O)[O-])ccc1F)N(C1CCCCC1)C1CCCCC1.,O=C(Nc1cccc([N+](=O)[O-])c1)N(C1CCCCC1)C1CCCCC1
LogP,Please optimize the molecule Cc1ccc(CNC(=O)NCCc2csc3ncnn23)cc1 to have a lower LogP value.,CCNC(=O)NCCc1csc2ncnn12
MR,Please modify the molecule O=C1N(Cc2cccc(C(F)(F)F)c2)c2ccccc2S(=O)(=O)N1c1cccc(Cl)c1 to decrease its MR value.,O=C1N(Cc2cccc(C(F)F)c2)c2ccccc2S(=O)(=O)N1c1cccc(Cl)c1
QED,Modify the molecule COc1cc2c(cc1OC)C(=CC(=O)C=C(O)c1ccccc1)[NH2+]C(C)(C)C2 to have a higher QED value.,CC(=O)C(=CC(=O)C=C1[NH2+]C(C)(C)Cc2cc(OC)c(OC)cc21)c1ccccc1
AtomNum,"The molecule contains 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 iodine atom.",O=c1[nH]cnc(Sc2ccc3c(c2)CCC3)c1I
BondNum,"There is a molecule with 8 single bonds, 3 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",O=C(NCc1ccc(S(=O)(=O)Cl)s1)c1ccc(I)c(Cl)c1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 2 amide groups, and 1 amine group.",COc1ccc(C2=C(Nc3ccc(C(C)(C)C)cc3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1
AddComponent,Add a benzene ring to the molecule COCCCS(=O)(=O)NC1CCCC1C(N)=[NH+]O.,NC(=[NH+]O)C1CCCC1NS(=O)(=O)CCCOCc1ccccc1
SubComponent,Substitute a halo in the molecule FC(F)c1cc(I)c(Cl)c(CBr)n1 with a aldehyde.,CC(=O)C(F)c1cc(I)c(Cl)c(CBr)n1
DelComponent,Modify the molecule halo by removing a Cc1ccc(C)c(N(C(=O)c2cc(Br)c3c(c2)OCCO3)C(C)C)c1.,Cc1ccc(C)c(N(C(=O)c2ccc3c(c2)OCCO3)C(C)C)c1
LogP,Optimize the molecule CCC1CN(c2nc(COC)c(C[NH2+]C3CC3)s2)CCO1 to have a lower LogP value.,CCC1(CC=O)CN(c2nc(COC)c(C[NH2+]C3CC3)s2)CCO1
MR,Please modify the molecule CC1CCCC(O)(C[NH2+]C(C)c2ccoc2)C1 to decrease its MR value.,CC1CCCC(F)(C[NH2+]C(C)c2ccoc2)C1
QED,Please optimize the molecule Cc1ccsc1C1C(=C([O-])c2ccc(F)cc2)C(=O)C(=O)N1c1ccc(Cl)cc1 to have a higher QED value.,Cc1ccsc1C1C(=C([O-])F)C(=O)C(=O)N1c1ccc(Cl)cc1
AtomNum,"Please generate a molecule composed of 8 carbon atoms, 3 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Fc1c(-c2ncc[nH]2)ccnc1Cl
BondNum,"The molecule contains 13 single bonds, 2 double bonds, 9 rotatable bonds, and 22 aromatic bonds.",COc1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)cc1OC
FunctionalGroup,"The molecule consists of 1 amide group, and 1 sulfide group.",COCCN(CCOC)C(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4
AddComponent,Modify the molecule C[NH2+]C(CCCOCC(F)(F)F)c1ccccc1Br by adding a hydroxyl.,C[NH2+]C(CC(O)COCC(F)(F)F)c1ccccc1Br
SubComponent,Modify the molecule halo by substituting a COCCCC[NH+]1CC(C)OC(CCl)C1 with a nitro.,COCCCC[NH+]1CC(C)OC(CNO)C1
DelComponent,Modify the molecule halo by removing a CC(ON=C(C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C.,CC(ON=C(C(F)F)C(F)(F)F)C(=O)OC(C)(C)C
LogP,Optimize the molecule O=CC(O)C(O)C(O)C(O)COC(=O)COc1c(-c2ccc(O)c(O)c2)oc2cc(=O)cc([O-])c-2c1O to have a higher LogP value.,O=CCC(O)C(O)C(O)COC(=O)COc1c(-c2ccc(O)c(O)c2)oc2cc(=O)cc([O-])c-2c1O
MR,Please modify the molecule Cc1ccc(C)c(C(C[NH3+])N2CCN(C3CC3)CC2)c1 to decrease its MR value.,CCC(C[NH3+])N1CCN(C2CC2)CC1
QED,Modify the molecule Cc1ccncc1CNC(=O)N1CCOCC1CC(=O)[O-] to decrease its QED value.,Cc1ccncc1CNC(=O)N1C(N)COCC1CC(=O)[O-]
AtomNum,"There is a molecule consisting of 22 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC1C[NH+](Cc2ccc(C(=O)N3CC(=O)NC4CCCCC43)cc2)CC(C)O1
BondNum,"There is a molecule consisting of 13 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",C[NH2+]C(CC1CC2CCC1C2)c1cccnc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 2 thioether groups, 1 sulfide group, and 1 sulfone group.",O=C(NC1CCSCC1)c1ccc(CS(=O)(=O)c2ccccc2)o1
AddComponent,Add a benzene ring to the molecule COC1C=CC=C(C)C(=O)NC2=CC(O)C([NH2+]CCN3CCCC3)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2OS(=O)(=O)[O-].,COC1C=CC=C(C)C(=O)NC2=CC(O)C([NH2+]CCN3CCCC3)=C(CC(Cc3ccccc3)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2OS(=O)(=O)[O-]
SubComponent,Please substitute a hydroxyl in the molecule COc1cccc2c(=O)c3c(=O)c4c(c(=O)c=3c(=O)c12)C(OC1CC(NC(=O)OCc2ccc(OC3OC(CO)C(O)C(O)C3O)c(N([O-])[O-])c2)C(O)C(C)O1)CC(O)(C(C)=O)C4 with a nitro.,COc1cccc2c(=O)c3c(=O)c4c(c(=O)c=3c(=O)c12)C(OC1CC(NC(=O)OCc2ccc(OC3OC(CNO)C(O)C(O)C3O)c(N([O-])[O-])c2)C(O)C(C)O1)CC(O)(C(C)=O)C4
DelComponent,Remove a hydroxyl from the molecule CC1Oc2ccccc2OC1C(=O)NC1(CO)Cc2ccccc2C1.,CC1Oc2ccccc2OC1C(=O)NC1(C)Cc2ccccc2C1
LogP,Modify the molecule O=[N+]([O-])c1cccnc1-n1cnc(Sc2ncc(C(F)(F)F)cc2Cl)n1 to have a lower LogP value.,O=[N+]([O-])c1cccnc1-n1cnc(Sc2ncc(C(F)(F)F)c(O)c2Cl)n1
MR,Please optimize the molecule CC1C(C[NH3+])CCCCN1c1ccccc1 to have a higher MR value.,[NH3+]CC1CCCCN(c2ccccc2)C1CC(=O)O
QED,Please modify the molecule CC(=O)NC(CC(=O)NC(C)(C)CC(C)(C)C)c1ccc(Cl)cc1 to decrease its QED value.,CC(=O)NC(CC(=O)NC(C)(C)CC(C)(C)C)c1ccc(C(=O)[OH])cc1
AtomNum,"There is a molecule consisting of 11 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(C)CN(CCC(N)=[NH2+])S(=O)(=O)NC(C)(C)C
BondNum,"There is a molecule with 18 single bonds, 5 rotatable bonds, and 23 aromatic bonds.",COc1cc(Nc2ncc3c(n2)N(C)C(c2cc(F)ccc2C(F)(F)F)CO3)ccc1-n1cnc(C)c1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 hydroxyl group.",COc1cnn(C)c(=O)c1-c1ccc(CC(NC(=O)N(CCO)C2CCCCC2)C(=O)[O-])cc1
AddComponent,Modify the molecule Cc1cc(C(=O)C=Cc2ccc(-c3ccccc3)cc2)c(C)o1 by adding a benzene ring.,Cc1cc(C(=O)C=Cc2ccc(-c3cccc(-c4ccccc4)c3)cc2)c(C)o1
SubComponent,Please substitute a halo in the molecule CC(C)(C)OCC(=O)NCC(Cl)c1ccccc1 with a carboxyl.,CC(C)(C)OCC(=O)NCC(C(=O)[OH])c1ccccc1
DelComponent,Please remove a Cc1nccn1-c1ccc(C(C)[NH2+]CC(C)O)cc1 from the molecule hydroxyl.,CCC[NH2+]C(C)c1ccc(-n2ccnc2C)cc1
LogP,Modify the molecule C#CCSCCNC(=S)NC to increase its LogP value.,C#CCSCCC(=S)NC
MR,Modify the molecule C[NH2+]C(CCC(C)C)Cc1cc(F)ccc1F to have a higher MR value.,C[NH2+]C(CCC(C)C)Cc1cc(C(=O)[OH])ccc1F
QED,Modify the molecule CCC1CN(C(=O)Cn2nc(C)c3ccccc3c2=O)CCO1 to have a lower QED value.,CCC1OCCC1n1nc(C)c2ccccc2c1=O
AtomNum,"There is a molecule consisting of 16 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cn1nccc1S(=O)(=O)Nc1nc2ccccn2c1C(=O)OC(C)(C)C
BondNum,"The molecule contains 17 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC(=O)N1CC[NH+](Cc2cc(C)cc(CNC(=O)Nc3ccc(C)nc3)c2)CC1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 2 amide groups, and 1 sulfone group.",COc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCCC1
AddComponent,Modify the molecule CCC(C)(C)C[NH2+]CC(O)c1ccc(C(F)(F)F)cc1 by adding a benzene ring.,CC(C)(CCc1ccccc1)C[NH2+]CC(O)c1ccc(C(F)(F)F)cc1
SubComponent,Substitute a halo in the molecule COc1ccc(NC(=O)CC(=O)NCCc2ccc(Cl)cc2)cc1OC with a hydroxyl.,COc1ccc(NC(=O)CC(=O)NCCc2ccc(O)cc2)cc1OC
DelComponent,Please remove a benzene ring from the molecule CCCN(Cc1cccc(N)c1)C(=O)C1CCOCC1.,CCCN(CN)C(=O)C1CCOCC1
LogP,Please optimize the molecule Clc1cccnc1-c1noc(CCOC2CC[NH2+]CC2)n1 to have a lower LogP value.,c1ccc(-c2noc(CCOC3CC[NH2+]CC3)n2)nc1
MR,Modify the molecule Brc1cccc(SCc2nccs2)c1 to increase its MR value.,Brc1cccc(SC(c2ccccc2)c2nccs2)c1
QED,Please optimize the molecule Cc1ccc(NC(=CC(=O)c2ccccc2)C(=O)[O-])cc1Br to have a higher QED value.,Cc1ccc(NC(=CC(=O)c2ccccc2)C(=O)[O-])cc1
AtomNum,"There is a molecule composed of 18 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",N#Cc1ccccc1OCC(=O)NNC(=O)c1cc2cc(Cl)ccc2o1
BondNum,"Please generate a molecule composed of 11 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)Cc1ccc(CCC(=O)NCCO)cc1
FunctionalGroup,"The molecule contains 1 amide group, 3 amine groups, and 1 sulfone group.",CCCNC(=O)CCNS(=O)(=O)c1cnccc1NN
AddComponent,Modify the molecule Clc1ccc(C=NOCCc2nc(-c3ccccc3)n[nH]2)cc1 by adding a hydroxyl.,OC(Cc1nc(-c2ccccc2)n[nH]1)ON=Cc1ccc(Cl)cc1
SubComponent,Please substitute a nitro in the molecule CSc1ccc([N+](=O)[O-])c(N(C)Cc2cnc(Cl)s2)n1 with a halo.,CSc1ccc(I=O)c(N(C)Cc2cnc(Cl)s2)n1
DelComponent,Modify the molecule halo by removing a COCC1=CC(C[NH2+]C(CN2CCC(C3C=CC(Cl)CC3)CC2)C(C)C)CCC1.,COCC1=CC(C[NH2+]C(CN2CCC(C3C=CCCC3)CC2)C(C)C)CCC1
LogP,Please optimize the molecule N#Cc1ccc(NCCC(=O)NCc2ccccc2)cc1Cl to have a higher LogP value.,N#Cc1ccc(NCC(C(=O)NCc2ccccc2)c2ccccc2)cc1Cl
MR,Modify the molecule COc1ccc([NH+]=C2CSc3nnc(-c4cc(F)c(Cl)cc4Cl)n3N2)cc1 to have a higher MR value.,COc1ccc([NH+]=C2CSc3nnc(-c4cc(C(=O)[OH])c(Cl)cc4Cl)n3N2)cc1
QED,Please optimize the molecule Cc1ccc(-n2cc(Br)c(CCO)n2)cc1 to have a lower QED value.,Cc1ccc(-n2ccc(CCO)n2)cc1
AtomNum,"The molecule has 30 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 1 chlorine atom.",O=C(NN1C(=O)c2cccc3cccc(c23)C1=O)c1cc(Cl)nc(NN2C(=O)c3cccc4cccc(c34)C2=O)c1
BondNum,"There is a molecule composed of 16 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)C(=O)c1cccc(OC)c1
FunctionalGroup,The molecule is composed of and 1 amide group.,C[NH2+]C1(CC(=O)NC2CC(OC)C2)CCCCC1
AddComponent,Add a amine to the molecule COC(=O)c1cc(C)c(OC(F)(F)F)c([N+](=O)[O-])n1.,COC(=O)c1cc(CN)c(OC(F)(F)F)c([N+](=O)[O-])n1
SubComponent,Modify the molecule O=S(=O)(N=C1C(Cl)=C(Cl)C(=NS(=O)(=O)c2ccccc2)C(Cl)(Cl)C1(Cl)Cl)c1ccccc1 by substituting a halo with a thiol.,O=S(=O)(N=C1C(S)=C(Cl)C(=NS(=O)(=O)c2ccccc2)C(Cl)(Cl)C1(Cl)Cl)c1ccccc1
DelComponent,Remove a halo from the molecule NNc1cccc(Oc2cc(Cl)c(Cl)cc2Cl)n1.,NNc1cccc(Oc2ccc(Cl)cc2Cl)n1
LogP,Modify the molecule COC1OC(C[NH+](CCCl)CCCl)C2OC(C)(C)OC12 to decrease its LogP value.,COC1OC(C[NH+](CCS)CCCl)C2OC(C)(C)OC12
MR,Modify the molecule CC(=O)Nc1ccc(NC(=O)NCCc2ccc3c(c2)OCO3)cc1 to have a lower MR value.,CC(=O)NNC(=O)NCCc1ccc2c(c1)OCO2
QED,Modify the molecule CCCN(CC)C(=O)COC1CC[NH2+]CC1 to decrease its QED value.,CCC(CC)OC1CC[NH2+]CC1
AtomNum,"The molecule has 14 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",COc1ccc(C(=O)NCC2(O)CCOC2C)c(O)c1
BondNum,"The molecule contains 10 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCc1ccsc1C[NH2+]Cc1cccc(C(F)(F)F)c1
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,CCCOC1CCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1
AddComponent,Modify the molecule [NH3+]CC1(C2(O)CCS(=O)(=O)C2)CCCCCC1 by adding a benzene ring.,[NH3+]C(c1ccccc1)C1(C2(O)CCS(=O)(=O)C2)CCCCCC1
SubComponent,Substitute a OCCC(O)C1[NH2+]C(COCc2ccccc2)C(O)C1O in the molecule hydroxyl with a nitro.,ONCCC(O)C1[NH2+]C(COCc2ccccc2)C(O)C1O
DelComponent,Remove a CC=C1CC2C=Nc3cc(OCc4cc(C(C)(C)SCC(=O)NCCOCCOCCOCCOCCC(=O)NC)cc(COc5cc6c(cc5OC)C(=O)N5CC(=CC)CC5C=N6)n4)c(OC)cc3C(=O)N2C1 from the molecule amide.,CC=C1CC2C=Nc3cc(OCc4cc(C(C)(C)SCC(=O)NCCOCCOCCOCCOCC)cc(COc5cc6c(cc5OC)C(=O)N5CC(=CC)CC5C=N6)n4)c(OC)cc3C(=O)N2C1
LogP,Modify the molecule CC(=O)OC1=C2CCC3C(CCC4(C)C(C(C)C5C(OC(C)=O)CC(C)CN5C(C)=O)CCC34)C2(C)CCC1=O to have a higher LogP value.,CC(=O)OC1=C2CCC3C(CCC4(C)C(C(C)C5CC(C)CC5OC(C)=O)CCC34)C2(C)CCC1=O
MR,Modify the molecule COc1cccc(CNC(=O)C2CCN(C(=O)N3CC(C)Oc4ccccc43)CC2)c1OC to increase its MR value.,COc1cccc(CNC(=O)C2CCN(C(=O)N3CC(C)Oc4cccc(C(=O)O)c43)CC2)c1OC
QED,Optimize the molecule [CH2-][NH+]1CCCC1Cc1ccc(OC)cc1 to have a lower QED value.,[CH2-][NH+]1CCCC1COC
AtomNum,"The molecule consists of 27 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",O=C(C1CCCN1C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
BondNum,"Please generate a molecule with 15 single bonds, 3 double bonds, 5 rotatable bonds, and 21 aromatic bonds.",Cc1nn(CC(=O)N2CCC(C(N)=O)CC2)c(=O)c2c(-n3cccc3)n(-c3ccc(Cl)cc3)nc12
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 3 hydroxyl groups.",OCC1C(O)C(O)c2[nH]c(-c3ccccc3)nc2N1c1ccccc1
AddComponent,Add a benzene ring to the molecule Cc1nnc(Sc2nc(NN)ncc2Br)n1C.,Cc1nnc(Sc2nc(NN)nc(-c3ccccc3)c2Br)n1C
SubComponent,Please substitute a hydroxyl in the molecule CCOC(=O)CCC(C(=O)SCC)C(O)C(C)C with a carboxyl.,CCOC(=O)CCC(C(=O)SCC)C(C(=O)[OH])C(C)C
DelComponent,Please remove a amide from the molecule COc1ccccc1CN(C(C)=O)c1cccc(N)c1.,COc1ccccc1Cc1cccc(N)c1
LogP,Modify the molecule Cc1ccc(CS(=O)(=O)N2CCCC3C(=O)N(C)CC32)cc1F to have a higher LogP value.,Cc1ccc(CS(=O)(=O)N2CCCC3C(=O)N(C)CC32)cc1S
MR,Modify the molecule Cc1cccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4ccc(F)cc4Cl)n3c2)c1 to have a lower MR value.,Cc1cccc(NC(=O)c2ccc3nnc(Sc4ccc(F)cc4Cl)n3c2)c1
QED,Please optimize the molecule CCNC(=O)N1CCN(C(=O)c2cc(N)cc(Br)c2)CC1 to have a lower QED value.,CCNC(=O)N1CCN(C(=O)c2cc(N)cc(C#N)c2)CC1
AtomNum,"The molecule has 21 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 2 sulfur atoms, and 1 fluorine atom.",CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1
BondNum,"The molecule has 13 single bonds, 2 double bonds, 4 rotatable bonds, and 23 aromatic bonds.",CC1=C(c2nc(-c3cccc(F)c3)no2)C(c2ccc(C)cc2)NC(=O)N1c1ccc(F)cc1
FunctionalGroup,There is a molecule composed of and 1 amide group.,CCCC1(C(=O)[O-])CCCN(C(=O)C2CC2(C)C)C1
AddComponent,Add a amine to the molecule Cc1ccc(NS(=O)(=O)c2cc(C[NH3+])sc2C)cc1.,Cc1ccc(NS(=O)(=O)c2cc(C[NH3+])sc2CN)cc1
SubComponent,Modify the molecule halo by substituting a CC(=O)c1ccc(NC(=O)Cn2nc(C3CC3)cc2C(F)F)cc1 with a carboxyl.,CC(=O)c1ccc(NC(=O)Cn2nc(C3CC3)cc2C(F)C(=O)[OH])cc1
DelComponent,Modify the molecule halo by removing a CCC1(C)CC(c2[nH]c(-c3ccc4c(c3)C(F)(F)c3cc(-c5ccc6nc(C7C8CCC(C8)N7C(=O)C(NC(=O)OC)C(C)C)[nH]c6c5)ccc3-4)c[nH+]2)N(C(=O)C(NC(=O)OC)C(C)C)C1.,CCC1(C)CC(c2[nH]c(-c3ccc4c(c3)C(F)c3cc(-c5ccc6nc(C7C8CCC(C8)N7C(=O)C(NC(=O)OC)C(C)C)[nH]c6c5)ccc3-4)c[nH+]2)N(C(=O)C(NC(=O)OC)C(C)C)C1
LogP,Please modify the molecule COc1ccc2c(c1)NC(c1ccc(OC(C)C)cc1)NC2=O to decrease its LogP value.,CC(C)Oc1ccc(C2NC(=O)c3ccc(OCO)cc3N2)cc1
MR,Please optimize the molecule CCOC(=O)CC(Cc1cc(OCCc2ccc3c(c2)NCCCO3)no1)c1ccc2c(c1)OCO2 to have a lower MR value.,CCOC(=O)CC(Cc1cc(OCCc2ccc3c(c2)CCCO3)no1)c1ccc2c(c1)OCO2
QED,Modify the molecule COc1cccc(C#CN(C)S(C)(=O)=O)c1 to decrease its QED value.,COC#CN(C)S(C)(=O)=O
AtomNum,"The molecule contains 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C([O-])c1cccc2c1nc(C1CC1)n2Cc1cccs1
BondNum,"The molecule is composed of 7 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(=O)C(Br)c1ccc(CO)c(F)c1
FunctionalGroup,The molecule has and 1 amine group.,CC1CCCC(n2cncc2-c2cccc3c2NCC3)C1
AddComponent,Add a hydroxyl to the molecule Cc1ccc(C(O)CN2C(=O)c3ccc(F)cc3C2=O)cc1.,Cc1ccc(C(O)(O)CN2C(=O)c3ccc(F)cc3C2=O)cc1
SubComponent,Modify the molecule halo by substituting a CCN(CC)C(=O)C1=CC([NH2+]CC2=CCC(F)C=C2)C(O)C2Oc3ccccc3C12 with a aldehyde.,CC(=O)C1C=CC(C[NH2+]C2C=C(C(=O)N(CC)CC)C3c4ccccc4OC3C2O)=CC1
DelComponent,Remove a amine from the molecule NS(=O)(=O)CCCNC(=O)CBr.,O=C(CBr)NCCC[SH](=O)=O
LogP,Modify the molecule O=C(Nc1ccc(Cc2cccc(C(F)(F)F)c2)cc1)c1ncc[nH]c1=O to have a lower LogP value.,O=C(Nc1ccc(Cc2cccc(C(F)F)c2)cc1)c1ncc[nH]c1=O
MR,Modify the molecule CC(C)N(CC#N)CCCC(F)(F)F to decrease its MR value.,CC(C)N(C)CCCC(F)(F)F
QED,Please optimize the molecule CC(Nc1cccc(N2CCOC2=O)c1)c1cccnc1 to have a lower QED value.,CC(NN1CCOC1=O)c1cccnc1
AtomNum,"The molecule has 22 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 2 chlorine atoms.",O=S(=O)(Oc1ccccc1C=NNc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1
BondNum,"Please generate a molecule consisting 8 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",O=C(c1cccnc1)c1cccc(C2(C(=O)[O-])CC2)c1
FunctionalGroup,"The molecule is composed of 1 amine group, 1 halo group, and 1 sulfide group.",Cc1cc2c(NC(C)C3CCCCC3)nc(Cl)nc2s1
AddComponent,Add a benzene ring to the molecule CC(C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)[NH+]1CCC(C(=O)NCCC(=O)NCc2ccc(F)cc2)CC1.,CC(C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2-c2ccccc2)c1)[NH+]1CCC(C(=O)NCCC(=O)NCc2ccc(F)cc2)CC1
SubComponent,Please substitute a COC(=O)c1cc(F)cc(C2CC(F)CN2c2ccn3ncc(C#N)c3n2)c1 in the molecule halo with a nitro.,COC(=O)c1cc(NO)cc(C2CC(F)CN2c2ccn3ncc(C#N)c3n2)c1
DelComponent,Modify the molecule halo by removing a CC[NH2+]C(c1ccc(Cl)s1)C(C)(C)N1CCCC1.,CC[NH2+]C(c1cccs1)C(C)(C)N1CCCC1
LogP,Optimize the molecule Nc1nc(OCC2CCC2)c2cc(-c3ccc(F)cc3Cl)ccc2n1 to have a higher LogP value.,Nc1nc(OCC2CCC2)c2cc(-c3ccc(S)cc3Cl)ccc2n1
MR,Modify the molecule OCCOc1ccc(C#Cc2cnc(-c3ccc(Cl)cc3)cn2)cc1 to have a higher MR value.,O=CCc1cc(C#Cc2cnc(-c3ccc(Cl)cc3)cn2)ccc1OCCO
QED,Modify the molecule CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(C)(C)C(OC(=O)c1ccccc1OC(=O)c1ccccc1OC(=O)c1cccnc1)C(=O)NCCC(=O)NCCSSCCNC(=O)OCCNC(=O)OCC[NH+]1CC(O)C(O)C(O)C1CO to decrease its QED value.,CCC=CCC=C(CC=CCC=CCC=CCCCC(=O)OCC(C)(C)C(OC(=O)c1ccccc1OC(=O)c1ccccc1OC(=O)c1cccnc1)C(=O)NCCC(=O)NCCSSCCNC(=O)OCCNC(=O)OCC[NH+]1CC(O)C(O)C(O)C1CO)c1ccccc1
AtomNum,"The molecule consists of 18 carbon atoms, 1 chlorine atom, and 1 bromine atom.",Cc1ccc(C(Br)c2cccc(Cl)c2)c2ccccc12
BondNum,"There is a molecule consisting of 17 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2C(F)(F)F)CC1
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 2 hydroxyl groups, 1 amide group, and 6 halo groups.",COc1c(Cl)cc(C2=C(O)C(=O)N(c3ccc(C(F)(F)F)cc3)C2c2ccc(O)c(Cl)c2)cc1Cl
AddComponent,Please add a hydroxyl to the molecule Cc1cccc(NC(=O)Cn2ccc(=O)c3ccccc32)c1.,Cc1cccc(NC(=O)Cn2ccc(=O)c3cccc(O)c32)c1
SubComponent,Substitute a hydroxyl in the molecule CNC(=O)C1C2CC(C)C3(S2)C1C(=O)N(CCCCO)C3C(=O)NC(C)C with a halo.,CNC(=O)C1C2CC(C)C3(S2)C1C(=O)N(CCCCI)C3C(=O)NC(C)C
DelComponent,Modify the molecule halo by removing a CCOC(=O)N1CCc2c(c(-c3ccc(F)cc3)nc3ccc4ccccc4c23)C1.,CCOC(=O)N1CCc2c(c(-c3ccccc3)nc3ccc4ccccc4c23)C1
LogP,Please modify the molecule C[NH2+]C(CN(C)CC(C)C)C(N)=O to decrease its LogP value.,C[NH2+]C(CN(CC(=O)O)CC(C)C)C(N)=O
MR,Modify the molecule CCCCCSc1cn[nH]c1N to decrease its MR value.,CCCCCSc1cn[nH]c1
QED,Modify the molecule O=c1ccnc(Sc2ccc(CO)c(Cl)c2)[nH]1 to decrease its QED value.,O=c1ccnc(Sc2ccc(CI)c(Cl)c2)[nH]1
AtomNum,"There is a molecule composed of 18 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCOc1ccccc1C=NNC(=O)COc1ccc(C#N)cc1
BondNum,"The molecule is composed of 13 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)N1CCC(C)=C(c2ccc(C(N)=O)cc2)C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ketone group, 1 ester group, and 1 sulfone group.",COc1ccc(C(=O)OCC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCCc2ccccc21
AddComponent,Please add a benzene ring to the molecule CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCOCC1.,CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCOCC1c1ccccc1
SubComponent,Please substitute a halo in the molecule ClCCCc1cn(Cc2csc(-c3ccco3)n2)nn1 with a hydroxyl.,OCCCc1cn(Cc2csc(-c3ccco3)n2)nn1
DelComponent,Modify the molecule halo by removing a COC(=O)Cc1cnc(F)c(OC(F)(F)F)c1CBr.,COC(=O)Cc1cnc(F)c(OC(F)F)c1CBr
LogP,Please modify the molecule CCCc1ccc(C(=O)C2(C)CCC[NH2+]2)cc1 to decrease its LogP value.,CCCC(=O)C1(C)CCC[NH2+]1
MR,Optimize the molecule Cc1cc(Cn2cccc2CO)no1 to have a lower MR value.,Cc1cc(Cn2cccc2C)no1
QED,Please optimize the molecule NC(=O)c1c(N)n(C(=O)c2ccc(Cl)cc2)c2ccccc12 to have a lower QED value.,NC(=O)c1c(N)n(C(=O)c2ccccc2)c2ccccc12
AtomNum,"The molecule consists of 14 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCCC(C)OCc1ccccc1C[NH2+]C
BondNum,"Please generate a molecule consisting 16 single bonds, 1 double bond, 7 rotatable bonds, and 5 aromatic bonds.",Cn1nnnc1SCCNC(=O)CCC1CCCC[NH+]1C
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, 5 amide groups, 3 amine groups, 2 thioether groups, and 1 sulfide group.",CSCCC([NH3+])C(=O)N1CCCC1C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-])C(C)C
AddComponent,Modify the molecule C=CC[NH+]1CCC23CCCCC2C1Cc1ccccc13 by adding a amine.,C=CC[NH+]1C(N)CC23CCCCC2C1Cc1ccccc13
SubComponent,Substitute a halo in the molecule COCC(Br)CCNC(=O)Cc1ccc(F)cc1F with a carboxyl.,COCC(CCNC(=O)Cc1ccc(F)cc1F)C(=O)[OH]
DelComponent,Modify the molecule amine by removing a Cc1nn(CC[NH3+])c(C)c1S(=O)(=O)NC1CCSC1.,Cc1nn(CC[NH3+])c(C)c1S(=O)(=O)C1CCSC1
LogP,Please modify the molecule Cc1cc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2C#N)n[nH]1 to increase its LogP value.,Cc1cc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2Cl)n[nH]1
MR,Please optimize the molecule COCCOCC(=O)Nc1ccc(CC#N)cc1 to have a lower MR value.,COCCOc1ccc(CC#N)cc1
QED,Optimize the molecule CC(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 to have a lower QED value.,CC(=O)N(c1ccc(C#N)cc1)c1cccc(Cl)c1
AtomNum,"The molecule contains 22 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1cc2nc(C)c(CCC(=O)OCC(=O)NCc3ccccc3C)c(C)n2n1
BondNum,"The molecule contains 16 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",COCc1ccc(C(=O)C2CCC3CCCCC3C2)o1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 halo group.",O=C(c1ccncc1F)N1C2CCCC1CC2
AddComponent,Please add a hydroxyl to the molecule COc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1.,COc1ccc(N(CC(=O)NCCSC(O)c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1
SubComponent,Substitute a halo in the molecule Cc1ccc2[nH]c(C)c(CC(=O)N3CC[NH+](CC(=O)Nc4ccccc4Cl)CC3)c2c1 with a carboxyl.,Cc1ccc2[nH]c(C)c(CC(=O)N3CC[NH+](CC(=O)Nc4ccccc4C(=O)[OH])CC3)c2c1
DelComponent,Remove a hydroxyl from the molecule CC(O)CC#Cc1ccc2oc(=O)c(-n3cc(-c4ccsc4)nn3)cc2c1.,CCCC#Cc1ccc2oc(=O)c(-n3cc(-c4ccsc4)nn3)cc2c1
LogP,Modify the molecule CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccc(C)o2)cc1Cl to have a lower LogP value.,CCOc1ccc(C2=C(NO)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccc(C)o2)cc1Cl
MR,Modify the molecule CC12CC(C3C=CC(C[NH+]4CCN(Cc5cccnc5)CC4)=CC3)C3=C4CCC(=O)C=C4CCC3C1CCC2(O)C(F)(F)C(F)(F)F to increase its MR value.,CC12CC(C3C=CC(C[NH+]4CCN(Cc5cccnc5)CC4)=CC3)C3=C4CCC(=O)C=C4CCC3C1CC(c1ccccc1)C2(O)C(F)(F)C(F)(F)F
QED,Modify the molecule CC(C)N(CCC#N)S(=O)(=O)c1cccnc1NN to decrease its QED value.,CC(C)N(CCC#N)S(=O)(=O)c1ccc(O)nc1NN
AtomNum,"Please generate a molecule with 17 carbon atoms, and 5 oxygen atoms.",CC(C)(O)C1CCC2(C)OC3=C(CC12)C(=O)C1(O)COC3C1
BondNum,"There is a molecule with 11 single bonds, 1 double bond, 5 rotatable bonds, and 10 aromatic bonds.",O=C(NCCCc1nc2c(s1)CCCC2)c1csnn1
FunctionalGroup,"There is a molecule consisting of 1 amide group, 2 thioether groups, 1 sulfide group, and 1 disulfide group.",O=C(C1COC1)N1CCSSCC1
AddComponent,Add a nitrile to the molecule COCCCNC(=O)C[NH2+]Cc1ccc(C)nc1.,COCCC(C#N)NC(=O)C[NH2+]Cc1ccc(C)nc1
SubComponent,Substitute a halo in the molecule O=C(Cc1ccc(OC(F)F)cc1)Nc1ccccc1C(=O)N1CCCCC1 with a nitrile.,N#CC(F)Oc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1
DelComponent,Modify the molecule hydroxyl by removing a CCCn1c(=O)[nH]c2c(C)ccc(OCC(O)C[NH2+]CCOc3c(OC)cccc3OC)c21.,CCCn1c(=O)[nH]c2c(C)ccc(OCCC[NH2+]CCOc3c(OC)cccc3OC)c21
LogP,Please optimize the molecule COc1ccc2ccc(=O)n(Cc3ccc(N4CCC(O)C4)cn3)c2c1-c1c(C)noc1C to have a higher LogP value.,COc1ccc2ccc(=O)n(Cc3ncc(N4CCC(O)C4)cc3-c3ccccc3)c2c1-c1c(C)noc1C
MR,Please modify the molecule O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CCN(c3ccc(C(=O)OCc4ccccc4)cc3)CC2)C1 to increase its MR value.,ONC(F)(F)c1cccc(C(=O)NCC(=O)NC2CC[NH+](C3CCN(c4ccc(C(=O)OCc5ccccc5)cc4)CC3)C2)c1
QED,Please optimize the molecule COc1ccc(-c2nc(SCC(=O)[O-])oc2-c2ccccc2)cc1 to have a higher QED value.,COc1nc(SCC(=O)[O-])oc1-c1ccccc1
AtomNum,"There is a molecule composed of 22 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CCC(Nc1cccc(OC)c1)=C1C(=O)CC(c2ccccc2)CC1=O
BondNum,"Please generate a molecule with 25 single bonds, 4 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)C(C=Nc1cccc(C2=NC(C)(C)Cc3cc(OC)c4c(c32)CC(C)(C)O4)c1)C(=O)OCC
FunctionalGroup,There is a molecule consisting of and 1 hydroxyl group.,COCCCCC(C)CC(C)O
AddComponent,Modify the molecule [NH3+]C(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-] by adding a carboxyl.,[NH3+]C(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-])C(C(=O)O)c1ccccc1
SubComponent,Modify the molecule nitrile by substituting a CC(C(=O)NC1(C#N)CCCCC1)[NH+](C)Cc1ccc2c(c1)OCCO2 with a nitro.,CC(C(=O)NC1(NO)CCCCC1)[NH+](C)Cc1ccc2c(c1)OCCO2
DelComponent,Remove a COCC1=C(C)[NH+]=CN(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1 from the molecule amine.,COCC1=C(C)CN(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1
LogP,Modify the molecule c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccn2)N(c2ccccn2)c2cccc3cccc-4c23)cc1 to have a lower LogP value.,c1ccc(N2c3cc4c(cc3-c3cccc5cccc2c35)c2ccccc2n4-c2ccccn2)nc1
MR,Optimize the molecule O=C([O-])c1ccc2ccc(CCl)cc2c1 to have a higher MR value.,O=C([OH])Cc1ccc2ccc(C(=O)[O-])cc2c1
QED,Please optimize the molecule N#CC(c1nc2ccccc2s1)C(c1ccccc1)N1NC(=O)CC1=[NH2+] to have a lower QED value.,CC(=O)C(c1nc2ccccc2s1)C(c1ccccc1)N1NC(=O)CC1=[NH2+]
AtomNum,"There is a molecule with 27 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COC(=O)c1ccc(C2C(C#N)=C(SCC(=O)N3CCc4ccccc4C3)NC(=O)C2C(=O)OC)cc1
BondNum,"The molecule has 12 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",COc1cc(C(C)C(=O)N(C)N)c(OC)c(C)c1C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ester group, 1 amide group, 1 thioether group, and 1 sulfide group.",CCOC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccccc1
AddComponent,Modify the molecule Cc1ccc2c(c1)CCC(C[PH](=O)[O-])O2 by adding a hydroxyl.,Cc1ccc2c(c1)CCC(O)(C[PH](=O)[O-])O2
SubComponent,Substitute a nitrile in the molecule N#CCOc1cccc(NC(=O)c2ccc(N)cc2)c1 with a hydroxyl.,Nc1ccc(C(=O)Nc2cccc(OCO)c2)cc1
DelComponent,Please remove a amide from the molecule CN(CC1CC2CCC1C2)C(=O)c1ccc(Br)cc1[S-].,CC(C1CC2CCC1C2)c1([S-])cc(Br)cc-1
LogP,Please optimize the molecule Nc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(F)c1 to have a higher LogP value.,O=S(=O)(Nc1ccccc1F)c1ccc(Br)s1
MR,Please modify the molecule CC(C)N(CCC(N)=[NH+]O)C(=O)c1cc(Br)ccc1O to increase its MR value.,CC(C)N(CCC(N)=[NH+]O)C(=O)c1cc(Br)c(C#N)cc1O
QED,Please optimize the molecule COC(=O)CCCCC(=O)NCCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1NC(C)=O to have a lower QED value.,COC(=O)CC(CCC(=O)NCCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1NC(C)=O)c1ccccc1
AtomNum,"There is a molecule composed of 15 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCCCCCC(CC(=O)OC)NC(=O)OC(C)(C)C
BondNum,"The molecule consists of 13 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",O=[N+]([O-])c1cc(F)c(NC2(C(F)(F)F)CC2)c(F)c1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 1 amide group.",CCn1c(=O)c2ccccc2n(CC(=O)NN(Cc2ccccc2)c2ccccc2)c1=O
AddComponent,Add a benzene ring to the molecule N#Cc1ccc(NC(c2ccccc2)C2CC2)nc1.,N#Cc1ccc(NC(c2ccccc2)(c2ccccc2)C2CC2)nc1
SubComponent,Substitute a halo in the molecule Cc1c(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)N4CCCC4)c3)CC2)C(C)C)cccc1C(=O)Nc1cccc(F)c1 with a aldehyde.,CC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3C)C(C)C)CC2)cc1C(=O)N1CCCC1
DelComponent,Please remove a amine from the molecule CC[NH2+]CCn1cc(S(=O)(=O)NC(C)CSCC)cn1.,CC[NH2+]CCn1cc(S(=O)(=O)C(C)CSCC)cn1
LogP,Modify the molecule O=C(CCC1CCCCC1)Nc1n[nH]c2c1C[NH2+]CC2 to have a lower LogP value.,C1CCC(Cc2n[nH]c3c2C[NH2+]CC3)CC1
MR,Modify the molecule [NH3+]C(CCc1ccccc1)CC1CCCc2ccccc21 to have a lower MR value.,CCC([NH3+])CC1CCCc2ccccc21
QED,Please modify the molecule CCCCN(C)C(=O)CCCCCCCCCCC1CC2(C)C(O)CCC2C2CCc3cc(OC)ccc3C12 to decrease its QED value.,CC(=O)C1CCC2C3CCc4cc(OC)ccc4C3C(CCCCCCCCCCC(=O)N(C)CCCC)CC21C
AtomNum,"The molecule has 26 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
BondNum,"There is a molecule composed of 6 single bonds, 1 double bond, 3 rotatable bonds, and 18 aromatic bonds.",Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cccc(Br)c2)n1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 1 amine group.",C#CC[NH+](C)C(C)Cc1cccc(NCc2cccc(C)c2)c1
AddComponent,Add a amine to the molecule [C-]#[N+]c1ccc(-n2cc(C(F)(F)F)[nH+]c2-c2ccccc2)cc1F.,[C-]#[N+]c1cc(N)c(-n2cc(C(F)(F)F)[nH+]c2-c2ccccc2)cc1F
SubComponent,Modify the molecule hydroxyl by substituting a C=CCOC1(C)CC(C)C(=O)C(C)C2NC(=O)OC2(C)C(CC)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC([NH+](C)C)C1OC(=O)c1ccccc1 with a nitro.,C=CCOC1(C)CC(C)C(=O)C(C)C2NC(=O)OC2(C)C(CC)OC(=O)C(C)C(NO)C(C)C1OC1OC(C)CC([NH+](C)C)C1OC(=O)c1ccccc1
DelComponent,Modify the molecule CCN(CC)C(=O)CSc1nnc(CC[NH3+])o1 by removing a amide.,CCC(C)Sc1nnc(CC[NH3+])o1
LogP,Please modify the molecule CC(CC(=O)N(C)CCC(F)(F)F)C1CCC[NH2+]C1 to decrease its LogP value.,CC(CC(=O)N(C)CCC(F)F)C1CCC[NH2+]C1
MR,Please modify the molecule CCC(C)NC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(Cl)c(NC(=O)C(C)C)c3)CC2)c1C to decrease its MR value.,CCC(C)NC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(NC(=O)C(C)C)c3)CC2)c1C
QED,Modify the molecule CC(C)CN1C(=O)c2ccc(NC(=O)NCCc3ccccc3Br)cc2C1=O to increase its QED value.,CC(C)CN1C(=O)c2ccc(NC(=O)NCCc3ccccc3O)cc2C1=O
AtomNum,"The molecule has 12 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(=O)Nc1ccccc1Sc1c([N+](=O)[O-])ncn1C
BondNum,"Please generate a molecule with 20 single bonds, 1 triple bond, 10 rotatable bonds, and 6 aromatic bonds.",C#CCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)COCc1ccc(OC)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 3 hydroxyl groups, and 2 ester groups.",O=C(C=Cc1ccccc1)OCC(CO)COC(=O)C=Cc1ccc(O)c(O)c1
AddComponent,Please add a benzene ring to the molecule Nc1c(-c2ccc(Cl)cc2Cl)nc2c(Cl)cc(Cl)cn12.,Nc1c(-c2ccc(Cl)cc2Cl)nc2c(Cl)c(-c3ccccc3)c(Cl)cn12
SubComponent,Please substitute a halo in the molecule O=C(C=Cc1ccc(Oc2cccnc2)c(F)c1)NCCNC(=O)Cc1ccc(F)cc1 with a hydroxyl.,O=C(C=Cc1ccc(Oc2cccnc2)c(O)c1)NCCNC(=O)Cc1ccc(F)cc1
DelComponent,Remove a amide from the molecule Cc1cc([N+](=O)[O-])nn1CCC(=O)NN=Cc1ccc(F)s1.,Cc1cc([N+](=O)[O-])nn1CN=Cc1ccc(F)s1
LogP,Please optimize the molecule O=C(COC(=O)CCc1ccccc1)Nc1c(F)cccc1F to have a lower LogP value.,O=C(COC(=O)CCc1ccccc1)Nc1ccccc1F
MR,Optimize the molecule Cc1cc(C=C2SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)o1 to have a higher MR value.,CC(=O)c1ccccc1NC(=O)CN1C(=O)SC(=Cc2cc(C)oc2C)C1=O
QED,Modify the molecule CCCCCCCCCC(=O)C1(CO)OC(C(=O)CCCCCCCCC)(n2ccc(N)nc2=O)C(O)(C(=O)CCCCCCCCC)C1(O)C(=O)CCCCCCCCC to have a higher QED value.,CCCCCCCCCC(=O)C1C(C(=O)CCCCCCCCC)(n2ccc(N)nc2=O)OC(CO)(C(=O)CCCCCCCCC)C1(O)C(=O)CCCCCCCCC
AtomNum,"The molecule is composed of 14 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CCOC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1O
BondNum,"Please generate a molecule composed of 12 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",Nc1ccc(N2CCC(OCCO)CC2)cc1
FunctionalGroup,There is a molecule with and 1 sulfide group.,CC[NH2+]Cc1nn2c(C3CCCCC3)nnc2s1
AddComponent,Modify the molecule COc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O by adding a benzene ring.,COc1cc([N+](=O)[O-])cc(-c2ccccc2)c1NS(C)(=O)=O
SubComponent,Please substitute a halo in the molecule CC1CCN(c2ccc(S(C)(=O)=O)cc2)CC1Cl with a aldehyde.,CC(=O)C1CN(c2ccc(S(C)(=O)=O)cc2)CCC1C
DelComponent,Modify the molecule amide by removing a CN(C)C(=O)CNc1ccccc1N(C)Cc1ccccc1.,CCNc1ccccc1N(C)Cc1ccccc1
LogP,Please modify the molecule CCc1c[nH]c2ncnc(N3CCC([NH3+])(CNC(=O)c4ccccc4F)C3)c12 to increase its LogP value.,CCc1c[nH]c2ncnc(N3CCC([NH3+])(CNC(=O)c4ccccc4S)C3)c12
MR,Modify the molecule Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCc1cccs1 to have a higher MR value.,Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCc1ccc(N)s1
QED,Modify the molecule COC(C(=O)NOCC(F)(F)F)c1ccccc1 to decrease its QED value.,O=C(NOCC(F)(F)F)C(OCO)c1ccccc1
AtomNum,"There is a molecule composed of 27 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",CC1=CC(C)=C(CNC(=O)c2cc(C3=CC(C)(C)[NH2+]C(C)(C)C3)nc3c2cnn3C(C)C)C[NH2+]1
BondNum,"Please generate a molecule consisting 9 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",O=C([O-])CN(CC(=O)[O-])c1ccc(CO)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, 1 sulfide group, and 1 disulfide group.",Cc1ccc(SSNC(=O)C(N)=O)cc1
AddComponent,Add a benzene ring to the molecule O=C(CCOC1CC[NH2+]CC1)NCC1CCCCC1.,O=C(CCOC1CC[NH2+]CC1)NC(c1ccccc1)C1CCCCC1
SubComponent,Substitute a halo in the molecule CC(=O)c1ccc(OC2CCC(C)C(C)C2)c(F)c1 with a aldehyde.,CC(=O)c1cc(C(C)=O)ccc1OC1CCC(C)C(C)C1
DelComponent,Modify the molecule CCC[NH2+]Cc1cc(Br)ccc1OCCCCCCO by removing a benzene ring.,CCC[NH2+]C(Br)OCCCCCCO
LogP,Please modify the molecule Cn1c(CCc2ccccc2)cc2cc(OCCCC(O)Cn3cnc(C(N)=O)c3)ccc21 to increase its LogP value.,Cn1c(CCc2ccccc2)cc2cc(OCCCC(Cl)Cn3cnc(C(N)=O)c3)ccc21
MR,Please modify the molecule Cc1ccc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)NC4CCCCC4C)cc3C)CC2)cc1NC(=O)c1ccccc1F to increase its MR value.,Cc1ccc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)NC4CCCCC4C)cc3C)CC2)cc1NC(=O)c1ccccc1NO
QED,Modify the molecule CC[NH2+]C(C)(CO)CCCCSc1ccccc1OC to increase its QED value.,CC[NH2+]C(C)(C)CCCCSc1ccccc1OC
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",C[NH2+]Cc1cc(Cl)cc(S(=O)(=O)N(C)C(C)C2CC2)c1Cl
BondNum,"There is a molecule consisting of 9 single bonds, 2 double bonds, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(C#CCO)c(C(=O)NCC(N)=O)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 ester group.",CCCCCCCCCCCCCC=CC(OP(=O)([O-])OCC[N+](C)(C)C)C([NH3+])COC(=O)c1cc(OC)c(OC)c(OC)c1
AddComponent,Modify the molecule CCC(C)(CC)C(=O)C(C)(C)CC(C)(C)N1C(=O)C=CC1=O by adding a hydroxyl.,CCC(C)(CC)C(=O)C(C)(C)CC(C)(CO)N1C(=O)C=CC1=O
SubComponent,Please substitute a halo in the molecule CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 with a nitro.,CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccccc1NO)S(=O)(=O)c1ccccc1
DelComponent,Modify the molecule benzene ring by removing a CCCCCCOc1c(Br)cc(C=C2SC(Nc3ccc(Cl)cc3)=[NH+]C2=O)cc1OCC.,CCCCCCOc1c(Br)cc(C=C2SC(NCl)=[NH+]C2=O)cc1OCC
LogP,Modify the molecule CC(C)(C)C1CCC(Nc2ncc3cc(C(=O)[O-])ccc3n2)CC1 to increase its LogP value.,CC(C)(C)C1CCC(c2ncc3cc(C(=O)[O-])ccc3n2)CC1
MR,Please modify the molecule Cc1ccccc1CCC(=O)NC(C)c1ccc(Br)cc1 to increase its MR value.,Cc1cccc(-c2ccccc2)c1CCC(=O)NC(C)c1ccc(Br)cc1
QED,Modify the molecule COc1cccc(C(=O)Nc2ccc(NC(=O)C(NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(N)=O)ccc4Cl)CC3)C(C)C)cc2)c1 to increase its QED value.,COc1cccc(C(=O)Nc2ccc(C(C)(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(N)=O)ccc4Cl)CC3)cc2)c1
AtomNum,"The molecule is composed of 23 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 chlorine atom.",CCCOc1ccc(-c2nc(Nc3ccccc3Cl)c3ccccc3n2)cc1
BondNum,"Please generate a molecule consisting 5 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",CC(=O)c1cc(F)cc(Nc2ccc3ccccc3c2)c1
FunctionalGroup,"There is a molecule consisting of 1 amine group, and 1 halo group.",Nc1cnc2cc(F)nn2c1
AddComponent,Please add a amine to the molecule CN=CC(=NN)C1CC1c1c(C(=O)OC)ccn1-c1cccc(-c2cccc(OC(C)C3CCCCC3)c2)c1.,CN=CC(=NN)C1(N)CC1c1c(C(=O)OC)ccn1-c1cccc(-c2cccc(OC(C)C3CCCCC3)c2)c1
SubComponent,Please substitute a halo in the molecule CC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1cc(C2CC2)nn1-c1ccccc1 with a aldehyde.,CC(=O)c1cccc(OC(C)C(=O)NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1
DelComponent,Please remove a COc1ccc2c(c1)CN1C(=O)CCC1(C)N2 from the molecule amide.,COc1ccc2c(c1)CCC(C)N2
LogP,Optimize the molecule CCC(C)CC(C)[NH2+]C1CCC2(CC1)OCCO2 to have a lower LogP value.,CCC(C)C(N)C(C)[NH2+]C1CCC2(CC1)OCCO2
MR,Modify the molecule O=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 to have a lower MR value.,O=C1C(C2CCN(c3ccc(N4CCOCC4)nn3)C2)CN1c1ccc(F)cc1
QED,Optimize the molecule Cc1cc(C#N)ccc1C[NH+]1C2CCC1CC(O)C2 to have a higher QED value.,Cc1cc(C#N)ccc1C[NH+]1C2CCCC1CC2
AtomNum,"The molecule consists of 18 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1cc(C)c(Nc2cc(C(=O)N3CCOCC3)ncn2)c(C)c1
BondNum,"The molecule is composed of 7 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",COCc1ccccc1Cc1cnc(N)nc1N
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 nitro group, and 2 halo groups.",O=[N+]([O-])c1cccc(C#Cc2cccnc2COc2cc(Cl)ccc2I)c1
AddComponent,Add a benzene ring to the molecule Cc1ccc2cnn(CCC(=O)Nc3ccc4ccccc4c3)c2c1.,Cc1ccc2cnn(CCC(=O)Nc3cc(-c4ccccc4)c4ccccc4c3)c2c1
SubComponent,Substitute a halo in the molecule C[N+](C)(CCl)CC1=Cc2cccc3cccc(c23)C1=O with a carboxyl.,C[N+](C)(CC(=O)[OH])CC1=Cc2cccc3cccc(c23)C1=O
DelComponent,Please remove a amide from the molecule CCN(Cc1ccc2c(c1)OCO2)C(=O)COC(=O)CCCNC(=O)OC(C)(C)C.,CC(Cc1ccc2c(c1)OCO2)OC(=O)CCCNC(=O)OC(C)(C)C
LogP,Please modify the molecule CC(C)c1ccc(C2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CC(=O)N4C)C2=O)cc1 to increase its LogP value.,CC(C)c1ccc(CNC(=O)CC(=O)c2ccc3c(c2)CC(=O)N3C)cc1
MR,Please modify the molecule CC1OCCC1[NH2+]CC1CCC(C(=O)[O-])CC1 to increase its MR value.,CC1OCCC1(O)[NH2+]CC1CCC(C(=O)[O-])CC1
QED,Modify the molecule C=CC(C[Si](C)(C)C)C(O)C=Cc1ccccc1 to have a lower QED value.,C=C(C(=O)O)C(C[Si](C)(C)C)C(O)C=Cc1ccccc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CCc1ccc(CNC(=S)NC2CCCCC2)s1
BondNum,"Please generate a molecule consisting 10 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",CCCCn1c(N)nc2cc3c(cc21)OCCO3
FunctionalGroup,Please generate a molecule composed of and 1 aldehyde group.,C=C(C=O)CC1=CCCCC1
AddComponent,Modify the molecule CNC(=O)C1CCC[NH+]1Cc1ccc(C=O)o1 by adding a benzene ring.,CNC(=O)C1(c2ccccc2)CCC[NH+]1Cc1ccc(C=O)o1
SubComponent,Please substitute a halo in the molecule C[NH+]1CCN(C(=CF)C(F)(F)F)CC1 with a hydroxyl.,C[NH+]1CCN(C(=CO)C(F)(F)F)CC1
DelComponent,Remove a amide from the molecule COc1ccc(NC2=[NH+]C(=O)C(=Cc3cc(OC)c([O-])c([N+](=O)[O-])c3)S2)cc1.,COc1ccc(NC2SC2c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1
LogP,Please modify the molecule O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl to decrease its LogP value.,CC(=O)c1ccc(-c2ccc(C=CC(=O)NC(=S)Nc3cc(-c4nc5ccccc5s4)c(Cl)cc3Cl)o2)cc1
MR,Optimize the molecule CCOC(=O)C(C#N)=CC=Cc1cc2[nH]c1c(-c1ccc(C(C)C)cc1)c1nc(c(-c3ccc(C(C)C)cc3)c3ccc([nH]3)c(-c3ccc(C(C)C)cc3)c3nc(c2-c2ccc(C(C)C)cc2)C=C3)C=C1 to have a lower MR value.,CCOC(=O)C(C#N)=CC=Cc1cc2[nH]c1c(C(C)C)c1nc(c(-c3ccc(C(C)C)cc3)c3ccc([nH]3)c(-c3ccc(C(C)C)cc3)c3nc(c2-c2ccc(C(C)C)cc2)C=C3)C=C1
QED,Please modify the molecule CCOCc1ccc(CNC(=O)C=Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 to increase its QED value.,CCOCc1ccc(CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1
AtomNum,"Please generate a molecule with 9 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CSc1nc(Cl)c2cc([N+](=O)[O-])ccc2n1
BondNum,"The molecule has 16 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",O=C(c1cn[nH]c1)N1CCC(CC2CC2)(c2noc(-c3ccc(F)cc3)n2)CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 amine group, 3 halo groups, and 1 sulfone group.",CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(F)c(F)c3)c21
AddComponent,Please add a benzene ring to the molecule CCOC(=O)c1c(NCC(C)C)sc2c1CCCC2.,CCOC(=O)c1c(NCC(C)(C)c2ccccc2)sc2c1CCCC2
SubComponent,Please substitute a N#Cc1cccc(NCCCc2ncn[nH]2)c1N in the molecule nitrile with a aldehyde.,CC(=O)c1cccc(NCCCc2ncn[nH]2)c1N
DelComponent,Remove a COc1cccc(C[NH+](CC(O)COC(C)C)CC2CC(c3ccc(Cl)cc3)=NO2)c1 from the molecule hydroxyl.,COc1cccc(C[NH+](CCCOC(C)C)CC2CC(c3ccc(Cl)cc3)=NO2)c1
LogP,Please modify the molecule C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1 to decrease its LogP value.,C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CCl)cc1
MR,Modify the molecule Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1nn(C)cc1Cl to increase its MR value.,Cc1nn(Cc2ccc(C(=O)[OH])cc2Cl)c(C)c1NC(=O)c1nn(C)cc1Cl
QED,Modify the molecule C=CC(C=C)OC(=O)CCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C(CCCC)(CCCC)c3cc(-c5ccc(-c6ccc(OCCCCCC(=O)OC(C=C)C=C)cc6)cc5)ccc3-4)cc2)cc1 to have a lower QED value.,C=CC(C=C)OC(=O)CCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C(CCCC)(CCCC)c3cc(-c5ccc(-c6ccc(OCC(S)CCCC(=O)OC(C=C)C=C)cc6)cc5)ccc3-4)cc2)cc1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",O=C(NCCN1CCNC1=O)C1CCC(=O)N(CCc2ccccc2)C1
BondNum,"There is a molecule consisting of 16 single bonds, 5 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",COC(=O)c1cccc(N2C(=O)C(=O)C(=C([O-])c3cccc([N+](=O)[O-])c3)C2c2ccc(OC)cc2)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 2 halo groups.",Cn1[nH]c(=O)c2cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc3c21
AddComponent,Modify the molecule CN(CC1CC2CCC1C2)C(=O)c1cc(N)n[nH]1 by adding a aldehyde.,CN(CC1CC2CCC1C2CC=O)C(=O)c1cc(N)n[nH]1
SubComponent,Please substitute a halo in the molecule NC(=S)c1c(Cl)cccc1Oc1ccc(F)cc1Br with a nitro.,NC(=S)c1c(NO)cccc1Oc1ccc(F)cc1Br
DelComponent,Remove a benzene ring from the molecule c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.,c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cc(-c5ccc6c(c5)oc5ccccc56)ncn4)c23)cc1
LogP,Optimize the molecule CCCCCc1ccc(-c2ccc(CCC([NH3+])(CO)CO)cc2)s1 to have a higher LogP value.,CCCCCc1ccc(-c2ccc(CCC([NH3+])(CO)CC(=O)[OH])cc2)s1
MR,Please modify the molecule CC(OCc1ccccc1)C1OCC(O)C1OCc1ccccc1 to increase its MR value.,CC(=O)C1COC(C(C)OCc2ccccc2)C1OCc1ccccc1
QED,Modify the molecule CCOCc1nc(N)cc(NCCO)n1 to have a lower QED value.,CC(OCc1nc(N)cc(NCCO)n1)C(=O)O
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COc1cccc2c1CCc1c-2n[nH]c1C(=O)NCc1ccc(S(N)(=O)=O)cc1
BondNum,"The molecule consists of 10 single bonds, 2 rotatable bonds, and 10 aromatic bonds.",Cn1ncc2c(NC3CC(Cl)C3(C)C)ncnc21
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 2 halo groups.",CC[NH+]1CCN(C(=O)c2cc(C)c(F)c(F)c2C)CC1
AddComponent,Please add a carboxyl to the molecule c1ccc(Cn2cncn2)c(C[NH2+]Cc2cnc(C3CCC3)s2)c1.,O=C(O)C1CC(c2ncc(C[NH2+]Cc3ccccc3Cn3cncn3)s2)C1
SubComponent,Substitute a nitrile in the molecule CCC(CC)COC(=O)C(C)N[P+](=O)Oc1ccccc1OCC1OC(C#N)(c2ccc3c(N)ncnn23)C(O)C1O with a nitro.,CCC(CC)COC(=O)C(C)N[P+](=O)Oc1ccccc1OCC1OC(NO)(c2ccc3c(N)ncnn23)C(O)C1O
DelComponent,Remove a amine from the molecule CNc1cc(N2CCSCC2C)ncn1.,Cc1cc(N2CCSCC2C)ncn1
LogP,Modify the molecule CC1CNc2c(sc3ccc4nc(Oc5cc(CCl)nc(Cl)n5)ccc4c23)C(=O)N1 to have a lower LogP value.,CC1CNc2c(sc3ccc4nc(Oc5cc(CCl)nc(Cl)n5)c(O)cc4c23)C(=O)N1
MR,Modify the molecule Nc1cc2c(cc1Nc1ccc(Br)cc1Br)NC(=O)CO2 to have a lower MR value.,Nc1cc2c(cc1Nc1ccc(Br)cc1)NC(=O)CO2
QED,Optimize the molecule CC(Nc1ccc(NC(=O)Nc2cccnc2-n2cccn2)cc1)c1ccccc1 to have a higher QED value.,CC(NNC(=O)Nc1cccnc1-n1cccn1)c1ccccc1
AtomNum,"There is a molecule composed of 20 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCCCC4)c3)c2c1
BondNum,"The molecule is composed of 7 single bonds, 1 triple bond, 4 rotatable bonds, and 6 aromatic bonds.",N#Cc1ccc(OCCCO)cc1N
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, 1 nitro group, and 1 sulfide group.",O=C(CCCc1cccs1)NNC(=O)COc1ccccc1[N+](=O)[O-]
AddComponent,Add a amine to the molecule CCn1cncc1C[NH2+]CC1(C)CC1.,CCn1c(C[NH2+]CC2(C)CC2)cnc1N
SubComponent,Substitute a halo in the molecule N#Cc1ccc(N(Cc2cc(Cl)ccc2Cl)C2CCN(C(=O)[O-])C2)cc1Cl with a hydroxyl.,N#Cc1ccc(N(Cc2cc(O)ccc2Cl)C2CCN(C(=O)[O-])C2)cc1Cl
DelComponent,Please remove a benzene ring from the molecule CC(C)C1(C)C[NH2+]CC(Cc2ccccc2)O1.,CC1C[NH2+]CC(C)(C(C)C)O1
LogP,Modify the molecule N#Cc1cccc(S(=O)(=O)N2CCCSC2)c1 to increase its LogP value.,O=S(=O)(c1cccc(I)c1)N1CCCSC1
MR,Modify the molecule Cc1nn(CC(=O)Nc2cc(C(C)C)[nH]n2)c(C)c1N to increase its MR value.,Cc1nn(CC(=O)Nc2cc(C(C)CO)[nH]n2)c(C)c1N
QED,Modify the molecule CCCCCCCCCCc1ccc(F)cc1 to have a higher QED value.,CCCCC(CCCCCc1ccc(F)cc1)C(=O)O
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1ccc(-n2nc(C)c(C(=O)OCC(=O)Nc3ccccc3)n2)c(C)c1
BondNum,"There is a molecule with 18 single bonds, 4 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",C1=CC(=[N+]2CCCC2)C=CC1=C(c1ccccc1)c1ccc(N2CCOCC2)cc1
FunctionalGroup,"The molecule contains 2 hydroxyl groups, 1 sulfide group, and 1 borane group.",OB(O)C=CCc1nc2ccccc2s1
AddComponent,Add a benzene ring to the molecule CN(CC(=O)NCCC1=CCCCCC1)C1CCS(=O)(=O)C1.,O=C(CN(Cc1ccccc1)C1CCS(=O)(=O)C1)NCCC1=CCCCCC1
SubComponent,Please substitute a halo in the molecule CCN(c1cncc(CCl)n1)C(C)C with a hydroxyl.,CCN(c1cncc(CO)n1)C(C)C
DelComponent,Modify the molecule hydroxyl by removing a CC1(C)CCCC([NH3+])(CCO)C1.,CCC1([NH3+])CCCC(C)(C)C1
LogP,Please optimize the molecule CCC(C)C1NC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C(CCCCO)NC(=O)C2CCCN2C1=O to have a higher LogP value.,CCC(C)C1NC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C(CCCCC(=O)[OH])NC(=O)C2CCCN2C1=O
MR,Modify the molecule CN(CC(F)(F)F)S(=O)(=O)c1ccc2c(c1)CCCN2 to decrease its MR value.,CN(CC(F)F)S(=O)(=O)c1ccc2c(c1)CCCN2
QED,Please optimize the molecule CCNC(=O)C[NH+](CC)Cc1ccccc1Br to have a lower QED value.,CCNC(=O)C(c1ccccc1)[NH+](CC)Cc1ccccc1Br
AtomNum,"There is a molecule with 17 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCCCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)n[nH]c1=O
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",COC(=O)c1ccccc1N(C)c1ncnc(Nc2ccc(Cl)cn2)c1N
FunctionalGroup,"The molecule is composed of 1 amide group, 1 thioether group, 1 nitrile group, and 2 sulfide groups.",CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C)cc2c1
AddComponent,Please add a amine to the molecule CCOc1ccc(N2C(=[NH2+])C3C(C)NNC3[NH+]=C2SCC(=O)NCc2ccco2)cc1.,CC(N)Oc1ccc(N2C(=[NH2+])C3C(C)NNC3[NH+]=C2SCC(=O)NCc2ccco2)cc1
SubComponent,Substitute a halo in the molecule COC1CC(CN(C)S(=O)(=O)Cc2cccc(F)c2)[NH+](C)C1 with a nitro.,COC1CC(CN(C)S(=O)(=O)Cc2cccc(NO)c2)[NH+](C)C1
DelComponent,Remove a halo from the molecule CCn1cnc(C2=CC(Cl)CC2)c1.,CCn1cnc(C2=CCCC2)c1
LogP,Please optimize the molecule O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(Br)n1 to have a higher LogP value.,Brc1ccc-n1-c1ccc2c(c1)OCCCO2
MR,Please optimize the molecule COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Oc3ccccc3OC)c2)cc1 to have a lower MR value.,COOC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1
QED,Modify the molecule Cc1nn(C)c(N)c1COc1c(Br)cc(Cl)cc1[N+](=O)[O-] to decrease its QED value.,Cc1nn(C)cc1COc1c(Br)cc(Cl)cc1[N+](=O)[O-]
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",C=CCNC(=O)N(CCOc1ccc(-c2ccccc2)cc1)Cc1ccccc1
BondNum,"The molecule consists of 17 single bonds, 3 double bonds, and 10 rotatable bonds.",CCCCC(CC)C(=O)OOC(=O)[C-](CC)C(=[Fe+])CCC
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, and 2 halo groups.",CCOc1c(Br)cc(C[NH2+]C(C)C(=O)OC)cc1Br
AddComponent,Add a hydroxyl to the molecule CCCc1nc2c(OCCCO)cccc2s1.,CCCc1nc2c(OCCCO)ccc(O)c2s1
SubComponent,Substitute a halo in the molecule Cc1c(CNc2cc(Br)cc(C(=O)[O-])c2)cnn1C with a nitro.,Cc1c(CNc2cc(NO)cc(C(=O)[O-])c2)cnn1C
DelComponent,Please remove a O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(c2ccc(F)cc2)CC1 from the molecule halo.,O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1
LogP,Optimize the molecule COc1cc(NC(=O)c2cccnc2SCc2cc(C)on2)ccc1N1CCCC1=O to have a lower LogP value.,COc1cc(NC(=O)c2cccnc2SCc2cc(C)on2)ccc1N1C(=O)CCC1O
MR,Modify the molecule COc1cccc(C(=O)NNC(=CC(=O)C(F)(F)F)c2ccccn2)c1 to increase its MR value.,COc1cccc(C(=O)NNC(=CC(=O)C(F)(F)S)c2ccccn2)c1
QED,Please optimize the molecule CCc1nc2ccc(Cl)cn2c1C(=O)NC1CCCCC1 to have a lower QED value.,CCc1nc2ccc(Cl)cn2c1C(=O)NC1CCC(c2ccccc2)CC1
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1ccccc1Oc1ccccc1NC(=O)NCc1cccnc1
BondNum,"Please generate a molecule composed of 10 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",CC(CC(=O)NCc1ccccc1CO)c1ccccc1F
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amine group.",COc1ccc(CNN(C)C)c(OC)c1
AddComponent,Add a carboxyl to the molecule NC(=O)c1cc(NC=O)cc(C(N)=O)c1.,NC(=O)c1cc(NC=O)c(C(=O)O)c(C(N)=O)c1
SubComponent,Modify the molecule halo by substituting a CCCCNC(=O)C(=O)NN=Cc1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1 with a aldehyde.,CC(=O)c1ccc(OCC(=O)Nc2cccc(C)c2)c(C=NNC(=O)C(=O)NCCCC)c1
DelComponent,Remove a benzene ring from the molecule CCCC1CN(Cc2ccccc2)c2ccccc2N1.,CCCC1CN(C)c2ccccc2N1
LogP,Please modify the molecule CC(C)c1ccc(-c2nc(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)cs2)cc1 to decrease its LogP value.,CC(C)c1ccc(-c2nc(C(=O)N3CCN(c4ccc(NO)cn4)CC3)cs2)cc1
MR,Please modify the molecule Cc1cc(C(=O)Nc2cccc(F)c2)ccc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(NC(=O)c3ccccc3C)c(Cl)c2)CC1 to increase its MR value.,Cc1cc(C(=O)Nc2ccccc2)ccc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(NC(=O)c3ccccc3C)c(Cl)c2)CC1
QED,Optimize the molecule CC(C)CC(C(=O)[O-])N1C(=O)CC(c2ccccc2)C1=O to have a lower QED value.,CC(C)CC(C(=O)[O-])N1C(=O)CCC1=O
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
BondNum,"Please generate a molecule with 15 single bonds, 2 double bonds, and 6 rotatable bonds.",CC(CNC(=O)NCC(C)C(C)(C)C)CC(=O)[O-]
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 1 amine group.",CCCOc1cc(C=NNc2nc(=O)cc(-c3ccc(OC)cc3)[nH]2)ccc1OC
AddComponent,Modify the molecule O=C(NCC1(O)CCCCC1)C1Cc2ccccc2C1 by adding a hydroxyl.,O=C(NCC1(O)CCCCC1O)C1Cc2ccccc2C1
SubComponent,Modify the molecule C[NH+]=C(NCc1cc(Cl)c(I)cc1OC)NC1CC1 by substituting a halo with a thiol.,C[NH+]=C(NCc1cc(S)c(I)cc1OC)NC1CC1
DelComponent,Remove a amide from the molecule CCCCn1cnc2c1c(=O)n(CC(=O)NC1CCCC1)c(=O)n2CCCC.,CCCCn1cnc2c1c(=O)n(C1CCCC1)c(=O)n2CCCC
LogP,Please modify the molecule CCCn1ncc(OC)c1C([NH2+]C)c1cc(Br)ccc1Br to decrease its LogP value.,CCCn1ncc(OC)c1C([NH2+]C)c1cc(O)ccc1Br
MR,Optimize the molecule Nc1ccc(Cl)c(CCC2([NH3+])CC2)c1 to have a lower MR value.,[NH3+]C1(CCc2ccccc2Cl)CC1
QED,Modify the molecule COc1ccc(-c2n[nH]c(C3(C4CCN(C(=O)C(C)C(F)(F)F)CC4C)CC3)n2)cn1 to decrease its QED value.,COc1ccc(-c2n[nH]c(C3(C4C(C)CN(C(=O)C(C)C(F)(F)F)CC4O)CC3)n2)cn1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCN(C(=O)NSC(=O)CCc1ccccc1)c1ccccc1
BondNum,"There is a molecule consisting of 21 single bonds, 1 double bond, and 4 rotatable bonds.",CN1CCCC([NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)C1
FunctionalGroup,Please generate a molecule consisting and 3 benzene ring groups.,CC(C)(C)c1ccc(C(c2ccc(C(C)(C)C)cc2)C2CC(OC(=O)Nc3ccccc3)C[NH2+]2)cc1
AddComponent,Modify the molecule Cc1ocnc1C(=O)N1CCCOC(C)C1 by adding a hydroxyl.,Cc1ocnc1C(=O)N1CC(O)COC(C)C1
SubComponent,Substitute a nitrile in the molecule Cc1ccc(N(C)c2cc(N(C)C#N)ncn2)c(C)c1 with a aldehyde.,CC(=O)N(C)c1cc(N(C)c2ccc(C)cc2C)ncn1
DelComponent,Remove a amide from the molecule CC(C)NC(=O)C[NH+]1CCN(Cc2ccc(F)c(Br)c2)CC1.,CC(C)[NH+]1CCN(Cc2ccc(F)c(Br)c2)CC1
LogP,Optimize the molecule CC1CCOC1C(O)CC1CC2CCC1C2 to have a lower LogP value.,CC1CCOC1C(CC1CC2CCC1C2)NO
MR,Optimize the molecule O=C(NC1COCC(=O)N(C2CC2)C1=O)OCc1ccccc1 to have a lower MR value.,COC(=O)NC1COCC(=O)N(C2CC2)C1=O
QED,Optimize the molecule COc1ccccc1N1CCN(C(=S)Nc2ncc(Br)cn2)CC1 to have a higher QED value.,COc1ccccc1N1CCN(C(=S)Nc2ncc(C#N)cn2)CC1
AtomNum,"There is a molecule with 23 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CN1Oc2c(c(-c3ccc(Cl)cc3)nc3ccccc23)C1C=Cc1ccco1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",Cc1cccnc1N=C1CCCC1C
FunctionalGroup,"There is a molecule with 1 hydroxyl group, 1 ketone group, and 1 amide group.",CC(=O)C(O)c1ccc2c(c1)CC(=O)N2C
AddComponent,Add a hydroxyl to the molecule Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1(C#N)CCCC1.,Cc1c(C[NH+]2CCSCC2)cc(O)cc1NC(=O)C1(C#N)CCCC1
SubComponent,Substitute a halo in the molecule CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nnc(-c2cccc(C(F)(F)F)c2)n1C with a thiol.,CCS(=O)(=O)c1cc(C(F)(F)S)cnc1-c1nnc(-c2cccc(C(F)(F)F)c2)n1C
DelComponent,Modify the molecule halo by removing a O=C([O-])CCCc1nnc(-c2ccc(C(F)(F)F)cn2)o1.,O=C([O-])CCCc1nnc(-c2ccc(C(F)F)cn2)o1
LogP,Modify the molecule CN(Cc1cccc(Cl)c1F)CC1CCCC[NH2+]1 to have a lower LogP value.,CN(CC1CCCC[NH2+]1)C(F)Cl
MR,Optimize the molecule O=C(C=Cc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCOCC2)c1 to have a higher MR value.,O=C(C=Cc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCOC(O)C2)c1
QED,Modify the molecule COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccnc(Cl)c1 to decrease its QED value.,COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccnc(S)c1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1ccc(C)c(NC(=O)c2ccc(C(=O)N3CCN(C=O)CC3)cc2)c1
BondNum,"The molecule contains 16 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",Cc1cc(-c2nc(C3C[NH+](C4CC4)CCO3)no2)nn1C(C)C
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 3 halo groups, 1 thioether group, and 1 sulfide group.",COC(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC2OC(C)O2)c(C)c1
AddComponent,Please add a benzene ring to the molecule CCn1cc(C([NH2+]C)c2ccc(SC)cc2)cn1.,CCn1cc(C([NH2+]C)c2ccc(SC)c(-c3ccccc3)c2)cn1
SubComponent,Modify the molecule halo by substituting a CC(C)(C)C(=O)NC1CCc2[nH]c3cc(F)ccc3c2C1 with a aldehyde.,CC(=O)c1ccc2c3c([nH]c2c1)CCC(NC(=O)C(C)(C)C)C3
DelComponent,Modify the molecule benzene ring by removing a CCOC(=O)C1(F)C(=O)N(C(=O)c2cccc(C(=O)Oc3nc(OC(C)=O)ccc3C#N)c2)C(=O)NC1ON=Cc1ccco1.,CCOC(=O)C1(F)C(=O)N(C(=O)C(=O)Oc2nc(OC(C)=O)ccc2C#N)C(=O)NC1ON=Cc1ccco1
LogP,Please modify the molecule [NH3+]CC(Cn1ccnc1)c1ccc(O)cc1 to increase its LogP value.,CC(=O)c1ccc(C(C[NH3+])Cn2ccnc2)cc1
MR,Please optimize the molecule Cc1cc(C#N)nc(C(F)F)c1CC#N to have a higher MR value.,Cc1cc(C#N)nc(C(O)F)c1CC#N
QED,Optimize the molecule CC(=O)Oc1ccc(N2C(=O)CC(N(CC3CCCO3)C(=O)c3ccccc3F)C2=O)cc1 to have a lower QED value.,O=C(Cc1ccccc1)Oc1ccc(N2C(=O)CC(N(CC3CCCO3)C(=O)c3ccccc3F)C2=O)cc1
AtomNum,"The molecule consists of 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(Cc1ccccc1)C([NH3+])C(O)c1ccc(O)cn1
BondNum,"Please generate a molecule with 13 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CN(c1c(F)cc(C=CC(=O)[O-])cc1F)C1CCOC1
FunctionalGroup,There is a molecule with and 1 hydroxyl group.,C#CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
AddComponent,Please add a benzene ring to the molecule COc1cc(C(=O)NCCN2CC[NH2+]CC2)cc(Cl)c1OCC(N)=O.,COc1cc(C(=O)NCCN2CC[NH2+]C(c3ccccc3)C2)cc(Cl)c1OCC(N)=O
SubComponent,Please substitute a hydroxyl in the molecule CCOc1ccc(C2=C(O)C(=O)N(c3ccc(Nc4ccccc4)cc3)C2c2cccc(OC)c2OC)cc1 with a nitrile.,CCOc1ccc(C2=C(C#N)C(=O)N(c3ccc(Nc4ccccc4)cc3)C2c2cccc(OC)c2OC)cc1
DelComponent,Modify the molecule amide by removing a CCCC1CC(=O)NC2CC(NC(=O)c3ccccc3F)CCC12.,CCCC1C2CCC(NC(=O)c3ccccc3F)CC12
LogP,Optimize the molecule Cc1ccc(-c2csc(C(C#N)C=Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)n2)c(C)c1 to have a lower LogP value.,Cc1ccc(-c2csc(C(O)C=Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)n2)c(C)c1
MR,Optimize the molecule NC(=O)c1ccc2c(c1)CCC(=O)N2CC[NH+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 to have a higher MR value.,N#Cc1ccc2c(C3=CC[NH+](CCN4C(=O)CCc5cc(C(N)=O)ccc54)CC3)c[nH]c2c1
QED,Please modify the molecule O=C([O-])c1ccc(C[NH2+]Cc2ccno2)cc1F to decrease its QED value.,O=C([O-])c1ccc(C[NH2+]Cc2ccno2)c(O)c1F
AtomNum,"The molecule consists of 12 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",COc1ccc(-n2ccc(C)n2)c(C[NH3+])c1
BondNum,"The molecule contains 8 single bonds, 1 double bond, 6 rotatable bonds, and 17 aromatic bonds.",COc1cc(CNC(=O)c2ccc(Cn3cncn3)cc2)ccn1
FunctionalGroup,"There is a molecule composed of 1 ester group, and 1 sulfone group.",CCOC(=O)C=C1C(C)N2C1CCOS2(=O)=O
AddComponent,Modify the molecule Cn1cc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)cn1 by adding a benzene ring.,Cn1cc(CCCNC(=O)c2cc(S(=O)(=O)N3CC(c4ccccc4)Cc4ccccc43)ccc2Cl)cn1
SubComponent,Substitute a halo in the molecule Cc1c(OCC(=O)c2ccc(Cl)cc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O with a carboxyl.,Cc1c(OCC(=O)c2ccc(C(=O)[OH])cc2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O
DelComponent,Please remove a benzene ring from the molecule COc1cc(NN=C(C)c2ccccc2)cc(OC)c1.,CON(N=C(C)c1ccccc1)OC
LogP,Modify the molecule Cc1ccc(C)c(C(=O)NCCc2cncnc2)c1 to decrease its LogP value.,CCC(=O)NCCc1cncnc1
MR,Please optimize the molecule CCN(CC(C)(C)O)c1ccc(C[NH3+])cc1C to have a higher MR value.,CCN(CC(C)(C)S)c1ccc(C[NH3+])cc1C
QED,Please optimize the molecule CC(C)(C)CC[NH2+]Cc1ccc(C(N)=[NH+]O)cc1Cl to have a higher QED value.,CC(C)(C)CC[NH2+]Cc1ccc(C(N)=[NH+]Br)cc1Cl
AtomNum,There is a molecule with 24 carbon atoms.,C#CC12CC3CC(CC(C3)C1C1C3CC4CC(C3)CC1(C#C)C4)C2
BondNum,"The molecule consists of 25 single bonds, 2 double bonds, 16 rotatable bonds, and 16 aromatic bonds.",CC[NH+](CC)CCCn1c(Nc2ccc(C(=O)OC)cc2)nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc21
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, and 2 halo groups.",O=C(NCc1nnnn1-c1ccc(Br)cc1)c1ccc(F)cc1
AddComponent,Modify the molecule COc1cc2cc(CN(CCO)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2cc1OC by adding a carboxyl.,COc1cc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c(C(=O)O)c1OC
SubComponent,Modify the molecule CCN(C(=O)CCc1cccc(Br)c1)C1CCS(=O)(=O)C1 by substituting a halo with a nitrile.,CCN(C(=O)CCc1cccc(C#N)c1)C1CCS(=O)(=O)C1
DelComponent,Modify the molecule Cc1ccc(C(=O)N2CCOC(C3=CCC[NH+](C)C3)C2)cc1 by removing a benzene ring.,CC(=O)N1CCOC(C2=CCC[NH+](C)C2)C1
LogP,Modify the molecule N#Cc1cc(F)cc2sc(CO)cc12 to have a lower LogP value.,N#Cc1cccc2sc(CO)cc12
MR,Please modify the molecule Cc1cc(N)cc(OC2CC(C)OC(C)C2)c1 to decrease its MR value.,Cc1cccc(OC2CC(C)OC(C)C2)c1
QED,Modify the molecule [NH3+]CC(=O)c1ccc2c(c1O)CCC2 to decrease its QED value.,[NH3+]CC(=O)c1ccc2c(c1)CCC2
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",O=c1[nH]c2nc(Cl)[nH]c2c(=O)n1CCCc1nc(Cc2ccccc2)no1
BondNum,"The molecule consists of 8 single bonds, 4 rotatable bonds, and 17 aromatic bonds.",C[NH2+]C(c1ccc(Cl)cc1Cl)c1nnnn1-c1cccc(Cl)c1
FunctionalGroup,"Please generate a molecule consisting 1 ester group, and 2 halo groups.",CCOC(=O)c1coc2c(F)c(F)ccc12
AddComponent,Modify the molecule COc1ccc(Cl)c(C([O-])=C2C(=O)C(=O)N(c3ccc(C#N)cc3)C2c2cccs2)c1 by adding a carboxyl.,COc1ccc(Cl)c(C([O-])=C2C(=O)C(=O)N(c3ccc(C#N)c(C(=O)O)c3)C2c2cccs2)c1
SubComponent,Please substitute a CN(Cc1ccno1)C(=O)CC1C(=O)NCC[NH+]1Cc1c(F)cccc1Cl in the molecule halo with a nitrile.,CN(Cc1ccno1)C(=O)CC1C(=O)NCC[NH+]1Cc1c(Cl)cccc1C#N
DelComponent,Modify the molecule Cc1c(O)cccc1-c1cnnc(NCc2nc3ccccc3s2)n1 by removing a amine.,Cc1c(O)cccc1-c1cnnc(Cc2nc3ccccc3s2)n1
LogP,Modify the molecule Cc1cc(C)n(CCC(=O)NC(CCC(C)C)c2ccc(Cl)cc2)n1 to decrease its LogP value.,Cc1cc(C)n(CCC(=O)NC(CCC(C)C)c2ccc(S)cc2)n1
MR,Please modify the molecule CC(=O)NC(CC(=O)OCC(=O)N1c2ccccc2OCC1c1ccccc1)c1ccccc1 to decrease its MR value.,O=C(CCc1ccccc1)OCC(=O)N1c2ccccc2OCC1c1ccccc1
QED,Optimize the molecule CC1(C)CCC(NC(=O)c2cc3c(s2)CCCC3)C1 to have a lower QED value.,CC1(C)CCC(NC(=O)c2cc3c(s2)C(c2ccccc2)CCC3)C1
AtomNum,"There is a molecule with 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",COCC1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1
BondNum,"The molecule is composed of 23 single bonds, 3 double bonds, 1 triple bond, 8 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NS(=O)(=O)CCC[NH+]1CCOCC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, and 1 sulfone group.",CC(C)(C)c1ccccc1NC(=O)c1ccc(CS(C)(=O)=O)cc1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(C)cc1C(C)NS(=O)(=O)c1cnc[nH]1.,COc1ccc(C)c(O)c1C(C)NS(=O)(=O)c1cnc[nH]1
SubComponent,Please substitute a CNc1nc(-c2ccc(OC)c(F)c2)nc(C)c1I in the molecule halo with a nitrile.,CNc1nc(-c2ccc(OC)c(C#N)c2)nc(C)c1I
DelComponent,Remove a halo from the molecule CC(C)(C)c1cccc(Oc2ncc(Br)cc2C[NH3+])c1.,CC(C)(C)c1cccc(Oc2ncccc2C[NH3+])c1
LogP,Please modify the molecule CC(=O)Nc1cccc(NC(=O)C(=O)Nc2cc(Cl)ccc2C)c1 to decrease its LogP value.,CC(=O)Nc1cccc(NC(=O)C(=O)Nc2cc(O)ccc2C)c1
MR,Modify the molecule Nc1c(Nc2ccc(C(=O)[O-])cc2)ncnc1NC1CCCC1 to have a lower MR value.,O=C([O-])c1ccc(Nc2cc(NC3CCCC3)ncn2)cc1
QED,Please modify the molecule CC(C)n1c(C=CC(O)CC(O)CC(=O)OCCCCO[N+](=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 to decrease its QED value.,CC(C)(c1ccccc1)n1c(C=CC(O)CC(O)CC(=O)OCCCCO[N+](=O)[O-])c(-c2ccc(F)cc2)c2ccccc21
AtomNum,"The molecule contains 30 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COCCCCOC1CC(c2ccc3c(c2)Cc2ccccc2-3)C=C(C(=O)Nc2ccccc2)O1
BondNum,"Please generate a molecule consisting 8 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",COCC(C)Oc1cc(C)nc2ccc(N)cc12
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, 1 halo group, and 1 sulfide group.",Cc1ccc(C(O)c2scc(C)c2Cl)c(C)c1
AddComponent,Modify the molecule CC1=Cc2c(Br)cc(-c3c[nH]c4ccccc34)cc2C1C(C)(C)C1C(C)=Cc2c(Br)cc(-c3c[nH]c4ccccc34)cc21 by adding a carboxyl.,CC1=Cc2c(Br)cc(-c3c[nH]c4ccccc34)cc2C1C(C)(C)C1(C(=O)O)C(C)=Cc2c(Br)cc(-c3c[nH]c4ccccc34)cc21
SubComponent,Please substitute a O=C1Nc2ccc(Cl)cc2C1=Cc1ccc(Cl)cc1 in the molecule halo with a hydroxyl.,O=C1Nc2ccc(O)cc2C1=Cc1ccc(Cl)cc1
DelComponent,Remove a halo from the molecule O=C(NCCc1cc(Br)c(-c2ccccc2)o1)OCc1ccccc1.,O=C(NCCc1ccc(-c2ccccc2)o1)OCc1ccccc1
LogP,Modify the molecule CC[NH2+]CC(O)COc1cncc2c1CCC(=O)N2 to increase its LogP value.,CC[NH2+]CC(S)COc1cncc2c1CCC(=O)N2
MR,Modify the molecule CSc1ccc(CC[NH2+]CC(C)C(=O)[O-])cc1 to increase its MR value.,CSc1ccc(C(C[NH2+]CC(C)C(=O)[O-])C(=O)O)cc1
QED,Please modify the molecule O=C(Cc1ccc(Oc2ccc(OCC3CCCC[NH+]3Cc3ccccc3)cc2)cc1)Nc1ccccc1C(=O)[O-] to decrease its QED value.,O=C(Cc1ccc(Oc2ccc(OCC3CCCC[NH+]3Cc3ccccc3)cc2)cc1)Nc1ccc(-c2ccccc2)cc1C(=O)[O-]
AtomNum,"The molecule consists of 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 fluorine atoms.",O=C1CCCC1C1CCCC[NH+]1Cc1nccn1C(F)F
BondNum,"Please generate a molecule consisting 15 single bonds, 1 triple bond, 6 rotatable bonds, and 6 aromatic bonds.",CCNC1(C#N)CCCC1CCSc1cc(C)ccc1C
FunctionalGroup,There is a molecule consisting of and 3 halo groups.,COC1CCCn2c1nc(C(F)(F)F)c2C(=O)[O-]
AddComponent,Add a hydroxyl to the molecule CC1CCN(C(=O)NC2CCN(C(=O)Nc3ccccc3)C2)CC1C.,CC1CCN(C(=O)NC2CCN(C(=O)Nc3ccccc3)C2)CC1(C)O
SubComponent,Modify the molecule Cc1cc(C(Br)c2cccc(OC(F)F)c2)c(C)s1 by substituting a halo with a hydroxyl.,Cc1cc(C(O)c2cccc(OC(F)F)c2)c(C)s1
DelComponent,Remove a O=C([O-])NC1CCCN(c2c(Br)c[nH+]c3[nH]cc(NC(=O)c4ccccc4)c23)C1 from the molecule benzene ring.,O=CNc1c[nH]c2[nH+]cc(Br)c(N3CCCC(NC(=O)[O-])C3)c12
LogP,Modify the molecule COc1cc(N)ccc1C[NH2+]C(C)c1ncc(C)s1 to have a higher LogP value.,COc1ccccc1C[NH2+]C(C)c1ncc(C)s1
MR,Please modify the molecule CCOCCn1c(C=O)nc2cccc(Cl)c21 to decrease its MR value.,CCOCCn1c(C=O)nc2ccccc21
QED,Modify the molecule CCCCCCC(=C=[N+]=[N-])C(CCCC)=C(c1cccc(CCCCC)c1)c1cccc(CCCCCC)c1 to increase its QED value.,CCCCCCC(=C=[N+]=[N-])C(CCCC)=C(CCCCC)c1cccc(CCCCCC)c1
AtomNum,"There is a molecule consisting of 23 carbon atoms, 1 oxygen atom, 7 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",FC(F)(F)CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CC3(C2)CN(c2noc(C4CC4)n2)C3)C1
BondNum,"Please generate a molecule consisting 9 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",COc1ccc(-c2cc(C(=O)[O-])nn2CC(C)=O)c(C)c1
FunctionalGroup,There is a molecule consisting of and 1 sulfide group.,Cc1ccsc1-c1nc(N2CC[NH2+]CC2)n[nH]1
AddComponent,Modify the molecule COc1cccc(-c2nnc(SCC3CC3(Cl)Cl)o2)c1 by adding a hydroxyl.,COc1cc(-c2nnc(SCC3CC3(Cl)Cl)o2)ccc1O
SubComponent,Modify the molecule nitrile by substituting a Cc1ncsc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(NC(=O)C[NH+]2CCN(CCOCC[NH+]3CCN(c4ccc(C(=O)NC5C(C)(C)C(Oc6ccc(C#N)c(Cl)c6)C5(C)C)cn4)CC3)CC2)C(C)(C)C)cc1 with a halo.,Cc1ncsc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(NC(=O)C[NH+]2CCN(CCOCC[NH+]3CCN(c4ccc(C(=O)NC5C(C)(C)C(Oc6ccc(Br)c(Cl)c6)C5(C)C)cn4)CC3)CC2)C(C)(C)C)cc1
DelComponent,Remove a CCCc1c(OCCCC(=O)c2cc(C)c(O)c(O)c2C)ccc(C(=O)[O-])c1O from the molecule benzene ring.,CCC(OOCCCC(=O)c1cc(C)c(O)c(O)c1C)C(=O)[O-]
LogP,Please optimize the molecule COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)C2c2cccc(O)c2)cc1OC to have a lower LogP value.,COc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3O)C2c2cccc(O)c2)cc1OC
MR,Please modify the molecule CC[NH2+]Cc1cc(C)nc(N(C)CCc2ccccn2)c1 to increase its MR value.,Cc1cc(C[NH2+]CCN)cc(N(C)CCc2ccccn2)n1
QED,Please optimize the molecule CCN(C(=O)Cc1c(C)[nH]c2ccc(F)cc12)C(C)c1ccc(C#N)cc1 to have a higher QED value.,CCN(C(=O)Cc1c(C)[nH]c2ccccc12)C(C)c1ccc(C#N)cc1
AtomNum,"The molecule contains 20 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 sulfur atom.",C=CCn1c(SCC(=O)NC(C)(C#N)C(C)C)nnc1-c1cccc(C)c1
BondNum,"The molecule contains 9 single bonds, 2 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2cc(C)cc(C)c2)cc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",Cc1ccc(NC(=O)N(c2cccc(F)c2)C2CC[NH+](Cc3ccc(Oc4ccc(NS(C)(=O)=O)cc4C(N)=O)nc3)CC2)cn1
AddComponent,Modify the molecule CC(C)(C)c1nc(=O)c2c([nH]1)C[NH+](Cc1cc(F)c(F)c(F)c1)CC2 by adding a nitrile.,CC(C)(CC#N)c1nc(=O)c2c([nH]1)C[NH+](Cc1cc(F)c(F)c(F)c1)CC2
SubComponent,Substitute a halo in the molecule CC(=CC(=O)N1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 with a nitrile.,CC(=CC(=O)N1CC[NH+](CCc2ccc(C#N)cc2)CC1)c1ccccc1
DelComponent,Remove a amine from the molecule CCCCOCCCNC(Nc1ccc2c(c1)OCCCO2)=[NH+]CC(=O)NC(C)(C)C.,CCCCOCCCNC(=[NH+]CC(=O)NC(C)(C)C)c1ccc2c(c1)OCCCO2
LogP,Modify the molecule OCc1ccc(Sc2ncc(Br)cc2C(F)(F)F)cc1 to decrease its LogP value.,OCc1ccc(Sc2ncccc2C(F)(F)F)cc1
MR,Modify the molecule COc1ccc(C(=O)OC2C3OCC4(C)C5C(=O)CC(C)C25CC(=O)C34C)cc1 to have a lower MR value.,COC(=O)OC1C2OCC3(C)C4C(=O)CC(C)C14CC(=O)C23C
QED,Modify the molecule O=C(CCNc1cccc(F)c1)c1cc2ccccc2o1 to have a lower QED value.,O=C([OH])c1cccc(NCCC(=O)c2cc3ccccc3o2)c1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 3 nitrogen atoms, and 1 bromine atom.",Brc1c[nH+]ccc1NCCC1CCC[NH2+]C1
BondNum,"Please generate a molecule consisting 17 single bonds, 3 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",O=C(Nc1cccc2c1CN(Cc1cccc(N3CCOCC3=O)c1)C2=O)c1ccc(Cl)s1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amine group, 2 halo groups, and 1 nitrile group.",COc1ccc(NCc2c(F)cc(C#N)cc2F)cc1C
AddComponent,Please add a benzene ring to the molecule CC(C)CN(CC[NH+](C)C)C(=O)NCC(c1ccc(F)cc1)[NH+]1CCOCC1.,CC(C)CN(CC[NH+](C)C)C(=O)NCC(c1ccccc1)(c1ccc(F)cc1)[NH+]1CCOCC1
SubComponent,Substitute a halo in the molecule CC1C(=O)CC2CCC1N2CC(F)(F)F with a hydroxyl.,CC1C(=O)CC2CCC1N2CC(O)(F)F
DelComponent,Modify the molecule halo by removing a CC1(C)CCCC1C([NH3+])Cc1cccc(F)c1Cl.,CC1(C)CCCC1C([NH3+])Cc1cccc(F)c1
LogP,Modify the molecule N#CC1(c2ccc(Cl)nc2)CCC(F)(F)CC1 to have a lower LogP value.,N#CC1(c2ccc(NO)nc2)CCC(F)(F)CC1
MR,Modify the molecule CN1CN(C(=O)CCOC2CCOCC2)CC1=O to have a lower MR value.,CN1CC(OC2CCOCC2)CC1=O
QED,Please modify the molecule CCCC(C)N(C)S(=O)(=O)Cc1ccccc1C(N)=S to decrease its QED value.,CCCC(C)N(C)S(=O)(=O)Cc1ccccc1C=S
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(Sc2ccc(C(=O)N3CCCC3)cn2)cc1
BondNum,"The molecule consists of 15 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CC1CCCN(C(=O)c2ccc(CNC(=O)CCc3ccccc3)cc2)C1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, and 1 halo group.",O=C(OCc1ccc(-n2cccn2)cc1)c1[nH]c2ccccc2c1Br
AddComponent,Modify the molecule CCC[NH2+]C(Cc1cc(CC)nn1C)C(C)C1CC1 by adding a benzene ring.,CCC[NH2+]C(Cc1cc(CC)nn1C)C(C)C1(c2ccccc2)CC1
SubComponent,Substitute a halo in the molecule CCOC(=O)N1CCN(C(=O)COC(=O)C=Cc2cc(Cl)c(OC)c(OCC)c2)CC1 with a hydroxyl.,CCOC(=O)N1CCN(C(=O)COC(=O)C=Cc2cc(O)c(OC)c(OCC)c2)CC1
DelComponent,Please remove a hydroxyl from the molecule COc1cccc2c1C(=O)c1c([O-])c3c(c([O-])c1C2=O)CC(O)(C(=O)OC(=O)C1=CC(C)(C)N(O)C1(C)C)CC3OC1CC(NC(=O)C(F)(F)F)C(O)C(C)O1.,COc1cccc2c1C(=O)c1c([O-])c3c(c([O-])c1C2=O)CC(O)(C(=O)OC(=O)C1=CC(C)(C)NC1(C)C)CC3OC1CC(NC(=O)C(F)(F)F)C(O)C(C)O1
LogP,Please optimize the molecule CC(C)CC([NH3+])C(=O)Nc1ccc2sccc2c1 to have a higher LogP value.,CC(C)C([NH3+])c1ccc2sccc2c1
MR,Modify the molecule COCCC[NH+](C)Cc1cccc(C(=O)[O-])c1 to decrease its MR value.,COCCC[NH+](C)CC(=O)[O-]
QED,Modify the molecule CC(C)CC#Cc1cccs1 to have a higher QED value.,CC(CC#Cc1cccs1)Cc1ccccc1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)c1ccsc1
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, and 4 rotatable bonds.",CC=CC(C)C([NH2+]C)C(=O)[O-]
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, and 1 ester group.",COC(=O)C=C(C)c1cncc(-c2ccc(O)cc2)c1
AddComponent,Add a carboxyl to the molecule COc1ccccc1-c1nnc(-c2ccc(C(=O)NNS(=O)(=O)c3cccc(Br)c3)cc2)o1.,COc1ccccc1-c1nnc(-c2ccc(C(=O)NNS(=O)(=O)c3ccc(C(=O)O)c(Br)c3)cc2)o1
SubComponent,Substitute a nitrile in the molecule COc1ccc(OCC(=O)Nc2sc(=S)c3c(c2C#N)CCC(C)C3)cc1 with a carboxyl.,COc1ccc(OCC(=O)Nc2sc(=S)c3c(c2C(=O)[OH])CCC(C)C3)cc1
DelComponent,Modify the molecule benzene ring by removing a Cn1cnc2c1c(=O)n(CCCSc1nnc(-c3ccncc3)n1Cc1ccccc1)c(=O)n2C.,Cn1c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nnc1-c1ccncc1
LogP,Modify the molecule CC1CCCC(C)N1C(N)=[NH+]C(N)=[NH+]c1ccc(OC(F)(F)F)c(F)c1 to have a lower LogP value.,CC1CCC(N)C(C)N1C(N)=[NH+]C(N)=[NH+]c1ccc(OC(F)(F)F)c(F)c1
MR,Modify the molecule Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N3CCOCC3)c(=O)[nH]c12 to increase its MR value.,Cc1cccc2cc(CN(Cc3ccc(C#N)cc3)C(=O)N3CCOCC3)c(=O)[nH]c12
QED,Modify the molecule CCCCN(C)c1nc(SC)ncc1C[NH2+]C(C)CCc1ccccc1 to have a lower QED value.,CCCCN(C)c1nc(SC)ncc1C[NH2+]C(C)CCc1cccc(S)c1
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCC[NH+]2CCOCC2)cc1Cl
BondNum,"The molecule consists of 9 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCCCCNS(=O)(=O)c1cc(F)cc(F)c1
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, and 1 amide group.",CC=Cc1ccc2n(c1=O)CC1C(CO)C(C(=O)N3CCc4ccccc4C3)C2[NH+]1Cc1cocn1
AddComponent,Please add a carboxyl to the molecule O=C(NCCc1cscn1)c1ccc(Br)cc1Br.,O=C(NCCc1cscn1)c1ccc(Br)c(C(=O)O)c1Br
SubComponent,Please substitute a O=C(NCC[NH2+]Cc1ccc(F)c(F)c1)C1CC1 in the molecule halo with a hydroxyl.,O=C(NCC[NH2+]Cc1ccc(O)c(F)c1)C1CC1
DelComponent,Modify the molecule C[NH2+]CCCNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 by removing a amide.,C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1
LogP,Modify the molecule [NH3+]C(c1nnc(-c2ccc[nH]2)o1)c1ccc(F)cc1F to decrease its LogP value.,[NH3+]C(c1nnc(-c2ccc(O)[nH]2)o1)c1ccc(F)cc1F
MR,Optimize the molecule CC(C)(C)c1cnc(C2CCN(c3nccn4nc(C5CC5)cc34)CC2)o1 to have a higher MR value.,CC(C)(C)c1oc(C2CCN(c3nccn4nc(C5CC5)cc34)CC2)nc1O
QED,Please modify the molecule CC[NH2+]C(Cc1cc(OC)ccc1Br)C1C[NH+](C)CCO1 to decrease its QED value.,CC[NH2+]C(Cc1cccc(OC)c1)C1C[NH+](C)CCO1
AtomNum,"The molecule has 21 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COc1ccc(N2C(=S)c3ccccc3C2OC)cc1OC1CCCC1
BondNum,"The molecule is composed of 8 single bonds, 1 triple bond, 4 rotatable bonds, and 12 aromatic bonds.",CCCc1nc(Cl)cc(Nc2cc(Br)ccc2C#N)n1
FunctionalGroup,Please generate a molecule with and 4 halo groups.,CC(OC1(CI)CCCCC1)C(F)(F)F
AddComponent,Please add a hydroxyl to the molecule O=C(NCCc1cccnc1)c1ccc(-c2ccc(Cl)cc2)o1.,O=C(NCCc1cccnc1)c1oc(-c2ccc(Cl)cc2)cc1O
SubComponent,Substitute a halo in the molecule NC(=O)CSc1ncccc1C(=O)NCCc1ccc(Cl)cc1 with a nitrile.,N#Cc1ccc(CCNC(=O)c2cccnc2SCC(N)=O)cc1
DelComponent,Modify the molecule hydroxyl by removing a C=CCOc1ccc(C2N(C(=O)CCC)c3ccccc3-c3c(O)nc(SC)n[n+]32)cc1.,C=CCOc1ccc(C2N(C(=O)CCC)c3ccccc3-c3cnc(SC)n[n+]32)cc1
LogP,Modify the molecule COc1ccc(C(C)Nc2cccc(F)c2C#N)c(O)c1 to have a higher LogP value.,CC(=O)c1cccc(NC(C)c2ccc(OC)cc2O)c1C#N
MR,Optimize the molecule CC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(=O)CC2c1ccc([N+](=O)[O-])cc1 to have a higher MR value.,CC1(CO)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(=O)CC2c1ccc([N+](=O)[O-])cc1
QED,Modify the molecule ClC1CCCC1CC1CCOC1 to increase its QED value.,O=C(O)C1OCCC1CC1CCCC1Cl
AtomNum,"There is a molecule composed of 28 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CC[NH+]1CCN(c2cc(Nc3ccc(C(=O)OC)cc3)c3c4c(onc24)-c2ccccc2C3=O)CC1
BondNum,"There is a molecule composed of 12 single bonds, 1 double bond, and 5 rotatable bonds.",CC(C)C=CC(C)C(C)(CO)C(C)O
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, 1 amide group, 2 thioether groups, and 1 sulfide group.",CSCC(=O)N1CC(CO)C1
AddComponent,Add a benzene ring to the molecule CCC1(C(=O)N(CC(=O)[O-])c2ccccc2)CCC[NH2+]1.,CCC1(C(=O)N(CC(=O)[O-])c2ccccc2-c2ccccc2)CCC[NH2+]1
SubComponent,Please substitute a halo in the molecule CC(C)(c1ccccc1)C(Cc1ccc(Cl)cc1)NN with a nitrile.,CC(C)(c1ccccc1)C(Cc1ccc(C#N)cc1)NN
DelComponent,Please remove a amide from the molecule CS(=O)(=O)N1CCC(CNC(=O)CSC2CCCC2)CC1.,CS(=O)(=O)N1CCC(CSC2CCCC2)CC1
LogP,Modify the molecule COc1ccc(-c2noc(CCCC(=O)N(C)c3cccc(C#N)c3)n2)cc1 to decrease its LogP value.,COc1ccc(-c2noc(CCCC(=O)N(CO)c3cccc(C#N)c3)n2)cc1
MR,Modify the molecule N#Cc1nc(Br)c2ccc(Cl)cn12 to have a higher MR value.,N#Cc1nc(Br)c2ccc(Cl)c(O)n12
QED,Modify the molecule Cc1cc(NC(=O)C[NH+](C)C(C)c2ccc(F)c(F)c2)no1 to have a lower QED value.,Cc1cc(NC(=O)C[NH+](C)C(C)c2ccc(NO)c(F)c2)no1
AtomNum,"The molecule is composed of 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",COC(=O)c1cccc(N)c1N1CCc2ccccc21
BondNum,"There is a molecule with 8 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",O=C(Cc1ccccc1)ONC(=O)N(Cl)c1ccccc1
FunctionalGroup,"There is a molecule composed of 1 sulfide group, and 1 sulfone group.",CCn1c(C2CCCN(S(=O)(=O)c3cc(C)cs3)C2)nn(C)c1=O
AddComponent,Modify the molecule CCOc1ccc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C(C(=O)OCCOC)=C(C)N=3)cc1OC by adding a benzene ring.,CCOc1ccc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C(C(=O)OC(COC)c2ccccc2)=C(C)N=3)cc1OC
SubComponent,Substitute a hydroxyl in the molecule CC(C)NC(=O)C1CCN(C(=O)c2cc3ccccc3cc2O)CC1 with a nitro.,CC(C)NC(=O)C1CCN(C(=O)c2cc3ccccc3cc2NO)CC1
DelComponent,Modify the molecule amide by removing a Cc1nc(C)c(CCCC=O)c(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)n1.,Cc1nc(C)c(CCCC=O)c(C2CCC(c3c(F)cccc3F)C2)n1
LogP,Modify the molecule Cc1cc(OC2(CC[NH2+]C3CC3)CCC2)ccc1F to decrease its LogP value.,Cc1cc(OC2(CC[NH2+]C3CC3)CCC2)ccc1C(=O)[OH]
MR,Please modify the molecule CC(CC[NH+]1CC(=O)NC(=O)C1)S(C)=O to decrease its MR value.,CC(CC[NH+]1CC1=O)S(C)=O
QED,Modify the molecule Cc1ccc(C(C)Nc2nc(Cl)ncc2N)s1 to have a lower QED value.,Cc1ccc(C(C)Nc2nc(C(=O)[OH])ncc2N)s1
AtomNum,"There is a molecule with 17 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 3 sulfur atoms, and 1 chlorine atom.",Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1
BondNum,"There is a molecule composed of 7 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",COc1c(I)ccc2c1OCC2=O
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,CCC1CCCN1CC([NH3+])(C(N)=O)C1CC1
AddComponent,Add a hydroxyl to the molecule CCC1(C)C(=O)CC1c1c(C)nn(C)c1C.,CCC1(C)C(=O)CC1c1c(CO)nn(C)c1C
SubComponent,Please substitute a halo in the molecule O=C(CNc1ccc(F)c(Cl)c1)Nc1cccc(OCCOc2ccccc2)c1 with a aldehyde.,CC(=O)c1ccc(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1Cl
DelComponent,Please remove a O=C([O-])C1CC2CCC1N2C(=O)C1C2C3CCC(C3)C12 from the molecule amide.,O=C([O-])C1CC2CCC1C1C3CCC(C3)C21
LogP,Please modify the molecule CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C)n1 to decrease its LogP value.,CCCCOc1ccc(NC(=O)C2(c3ccccc3C(=O)[OH])CCOCC2)c(C)n1
MR,Optimize the molecule CC(=O)Nc1ccc(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1 to have a higher MR value.,CC(=O)Nc1ccc(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)c(N)c1
QED,Please modify the molecule CCOc1ccc(C(=O)OC(CC)C(N)=O)cc1N to increase its QED value.,CCOc1ccc(C(=O)OC(CC)C(N)=O)cc1
AtomNum,"The molecule has 23 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CC(=C(NC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1
BondNum,"The molecule consists of 16 single bonds, 5 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3c(F)c(F)cc(F)c3F)S2(=O)=O)cc1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 sulfide group.",COc1ccc(-c2nc(C(=O)[O-])c(-c3ccccc3)s2)cc1
AddComponent,Please add a benzene ring to the molecule C=C(C(=O)[O-])C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)[O-].,C=C(C(=O)[O-])C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(=O)[O-])C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
SubComponent,Please substitute a halo in the molecule NC(=O)NCCNC(=O)c1ccc(Br)cc1Br with a thiol.,NC(=O)NCCNC(=O)c1ccc(S)cc1Br
DelComponent,Modify the molecule amide by removing a BC1CC(OC(=O)CCC(=O)NC)C(COC)O1.,BC1CC(OC(=O)CC)C(COC)O1
LogP,Optimize the molecule COC(=O)C(C)(C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 to have a lower LogP value.,COC(=O)C(C)(C)[NH2+]C1CC[NH+](C)CC1
MR,Modify the molecule COc1ccc(-c2sc(Br)nc2C(=O)[O-])c2ccccc12 to have a lower MR value.,COc1ccc(-c2sc(C(=O)[OH])nc2C(=O)[O-])c2ccccc12
QED,Modify the molecule Cc1cc(C)c(C(Cc2ccc(Br)cc2)NN)c(C)c1 to have a lower QED value.,Cc1cc(C)c(C(Cc2ccc(S)cc2)NN)c(C)c1
AtomNum,"The molecule contains 16 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 fluorine atom, and 1 chlorine atom.",N#CC(CC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
BondNum,"Please generate a molecule composed of 8 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 23 aromatic bonds.",N#Cc1ccc(NC(=O)NCc2cccc(-c3[nH]ncc3-c3ccncc3)c2)cc1
FunctionalGroup,The molecule contains and 1 benzene ring group.,C[NH2+]Cc1ccc(OCCC(C)(C)OC)cc1
AddComponent,Modify the molecule N#Cc1cc2c(c3c(-c4ccc5c(c4)OCO5)c4c(cc13)C(=O)OC4)OCO2 by adding a hydroxyl.,N#Cc1cc2c(c3c(-c4ccc5c(c4O)OCO5)c4c(cc13)C(=O)OC4)OCO2
SubComponent,Modify the molecule halo by substituting a CCCCOCCNC(=O)c1cc(Cl)nc(C(C)(C)C)c1 with a aldehyde.,CC(=O)c1cc(C(=O)NCCOCCCC)cc(C(C)(C)C)n1
DelComponent,Please remove a COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)C(Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1 from the molecule benzene ring.,COc1ccc(N(CC(=O)N(CBr)C(Cc2ccccc2)C(=O)NC(C)C)S(C)(=O)=O)cc1
LogP,Please optimize the molecule CCC(OC1CCCC(C)C1)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 to have a lower LogP value.,CCC(OC1CCCC(C)C1)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1C(=O)O
MR,Please modify the molecule CN(C(=O)OCCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3nnn(CC(F)(F)F)c3n2)cc1)C(C)(C)C to increase its MR value.,CN(C(=O)OCCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3nnn(CC(F)(F)NO)c3n2)cc1)C(C)(C)C
QED,Please optimize the molecule Nc1cc2c(cc1C(=O)C[NH3+])OCCO2 to have a higher QED value.,[NH3+]CC(=O)c1ccc2c(c1)OCCO2
AtomNum,"Please generate a molecule consisting 62 carbon atoms, 25 oxygen atoms, 17 nitrogen atoms, and 1 phosphorus atom.",CC1NC(=O)C(CC(=O)[O-])NC(=O)C(CCCNP)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)[O-])NC(=O)C(CC(N)=O)NC(=O)C([NH3+])Cc2c[nH]c3ccccc23)C(C)OC(=O)C(CC(=O)c2ccccc2N)NC(=O)C(C(C)CC(=O)[O-])NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)[O-])NC1=O
BondNum,"Please generate a molecule composed of 8 single bonds, 2 double bonds, 5 rotatable bonds, and 22 aromatic bonds.",O=C(COc1ccc2ccc(=O)oc2c1)Nc1nc(-c2ccc(F)c(F)c2)cs1
FunctionalGroup,The molecule contains and 1 hydroxyl group.,CCC1CCC(C)[NH+](CC(O)COC(C)C)C1
AddComponent,Modify the molecule Clc1ccc([SiH](c2ccccc2)c2ccccc2)cc1 by adding a carboxyl.,O=C(O)c1cc(Cl)ccc1[SiH](c1ccccc1)c1ccccc1
SubComponent,Substitute a COc1ccc(Cl)cc1C(=O)NCCSC1CCCC1 in the molecule halo with a thiol.,COc1ccc(S)cc1C(=O)NCCSC1CCCC1
DelComponent,Remove a benzene ring from the molecule CSc1cccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)c1.,CSc1cccc(NC(=O)C(C)NS(=O)(=O)c2cccs2)c1
LogP,Modify the molecule CCn1cc(C[NH2+]CC(CC(C)O)c2ccccc2)cn1 to increase its LogP value.,CCn1cc(C([NH2+]CC(CC(C)O)c2ccccc2)c2ccccc2)cn1
MR,Modify the molecule CCC(CO)NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 to have a higher MR value.,CCC(CO)NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1C(=O)O
QED,Modify the molecule CCC1OC([NH3+])C(O)C1OP(=O)([O-])NCC1OC(N=N)C(O)C1OC to increase its QED value.,CCC1OC([NH3+])C(O)C1OP(=O)([O-])CC1OC(N=N)C(O)C1OC
AtomNum,"The molecule is composed of 17 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCn1cnnc1-c1ccccc1NC(=O)NC1C=CC(CO)C1
BondNum,"There is a molecule consisting of 18 single bonds, 1 double bond, and 9 rotatable bonds.",CCCCCCCC(=O)NCC1CCCCC1C[NH3+]
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 2 hydroxyl groups, 1 amide group, and 2 halo groups.",COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4O)c3C2c2cc(Br)c(O)c(OC)c2)cc1
AddComponent,Add a carboxyl to the molecule CCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1.,CCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C(=O)O)S(=O)(=O)c1ccccc1
SubComponent,Substitute a CC(C)(C)[NH2+]Cc1cnc(Sc2ccc(Br)cn2)nc1 in the molecule halo with a hydroxyl.,CC(C)(C)[NH2+]Cc1cnc(Sc2ccc(O)cn2)nc1
DelComponent,Modify the molecule amine by removing a CCC(CCCl)Nc1nc2ccccc2nc1C.,CCC(CCCl)c1nc2ccccc2nc1C
LogP,Optimize the molecule CC(C)CCCCCc1ccc(O)c(C2CO2)c1 to have a higher LogP value.,CC(C)CCCCCc1ccc(S)c(C2CO2)c1
MR,Optimize the molecule COc1ccc(C2SCCC(=O)N2CCC(=O)OC(C)(C)C)c(OC)c1 to have a lower MR value.,COc1ccc(C2SCC2CC(=O)OC(C)(C)C)c(OC)c1
QED,Modify the molecule C=CCNC(=S)Nc1ccc(OCC)cc1 to increase its QED value.,C=CCNC(=S)Nc1ccc(OCC)cc1-c1ccccc1
AtomNum,"Please generate a molecule consisting 26 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",COc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(Cc3ccccc3OC)C2=O)c(OC)c1
BondNum,"There is a molecule composed of 6 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",CC(=O)Oc1ccccc1-c1ccc(CBr)cc1
FunctionalGroup,"The molecule consists of 1 amide group, 1 amine group, and 1 sulfone group.",Cc1noc(C)c1S(=O)(=O)NC(C)C(=O)N(C1CCC1)C1CCC1
AddComponent,Modify the molecule CC1COCC(C)N1c1ccc(N)cc1F by adding a benzene ring.,CC1COCC(C)N1c1ccc(N)c(-c2ccccc2)c1F
SubComponent,Modify the molecule halo by substituting a C#CCCCN1CC[NH+](Cc2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)CC1 with a carboxyl.,C#CCCCN1CC[NH+](Cc2c(C)ncnc2Nc2ccc(OCc3cccc(C(=O)[OH])c3)c(Cl)c2)CC1
DelComponent,Remove a amide from the molecule O=C(NCCc1csc2nc(-c3ccccc3F)nn12)C(=O)NC1CC1.,Fc1ccccc1-c1nc2scc(CCONC3CC3)n2n1
LogP,Modify the molecule CCn1c(Nc2cc(F)ccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 to have a higher LogP value.,CCn1c(Nc2cc(S)ccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21
MR,Optimize the molecule CCOc1ccc(C(=O)c2cc(C(F)(F)F)cc(S(=O)(=O)[O-])c2)c(C(F)(F)F)c1OCC to have a lower MR value.,CCOc1ccc(C(=O)c2cc(C(F)(F)F)cc(S(=O)(=O)[O-])c2)c(C(F)F)c1OCC
QED,Optimize the molecule CNC(=O)C1CN(S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2O1 to have a lower QED value.,CCCS(=O)(=O)N1CC(C(=O)NC)Oc2ccccc21
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CCc1nc2c(N)ncc(C)c2n1CCCS(C)=O
BondNum,"The molecule is composed of 11 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",C=CCOc1ccccc1C(=O)SCC(C)(C)c1ccccc1I
FunctionalGroup,"The molecule contains 1 benzene ring group, and 3 halo groups.",CCc1nn(C)c(CC(CCl)(CCl)c2ccccc2)c1Cl
AddComponent,Please add a benzene ring to the molecule CC12CCCCC(CCCC(CC(=O)c3ccccc3)C1)CC2.,CC12CCCCC(CC1)CC(c1ccccc1)CC(CC(=O)c1ccccc1)C2
SubComponent,Modify the molecule nitrile by substituting a Cc1ccc(C(=O)[O-])cc1OCc1ccc(C#N)cc1F with a halo.,Cc1ccc(C(=O)[O-])cc1OCc1ccc(I)cc1F
DelComponent,Please remove a COc1ccc(SC(C)C(=O)Nc2ccc(C)c3ncccc23)cc1 from the molecule benzene ring.,COSC(C)C(=O)Nc1ccc(C)c2ncccc12
LogP,Please optimize the molecule CCCOc1nc(C2CC2)c(CNC(=O)C(S)CC(C)C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1F to have a lower LogP value.,CCCOc1nc(C2CC2)c(CNC(=O)C(S)CC(C)C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1
MR,Modify the molecule CC1CC(NC(=O)C23CCC(CC2=O)C3(C)C)CCO1 to have a higher MR value.,CC1CC(NC(=O)C23C(=O)CC(CC2c2ccccc2)C3(C)C)CCO1
QED,Modify the molecule CCC1C[NH+](C)CCC1c1ccccc1 to decrease its QED value.,CCC1CCC[NH+](C)C1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",NC(=[NH+]c1ccc(OCCCCn2ccnc2)cc1)c1ccccn1
BondNum,"There is a molecule consisting of 7 single bonds, 1 rotatable bond, and 27 aromatic bonds.",Cc1cccc2c3cc4c(cc3n(-c3ccccc3)c12)C(C)(C)c1ccccc1-4
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ketone group, 1 ester group, and 1 amide group.",CCCn1c(C)cc(C(=O)COC(=O)CNC(=O)c2ccc(C)c(C)c2)c1C
AddComponent,Add a benzene ring to the molecule Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1.,Cc1cccc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
SubComponent,Substitute a NC(=S)c1ccncc1Nc1cc(Cl)ccc1F in the molecule halo with a nitro.,NC(=S)c1ccncc1Nc1cc(NO)ccc1F
DelComponent,Modify the molecule halo by removing a N#Cc1c(C(F)(F)F)cc(Nc2cccc(CO)c2)nc1Cl.,N#Cc1c(C(F)F)cc(Nc2cccc(CO)c2)nc1Cl
LogP,Please optimize the molecule COc1cccc(C2CN(C(=O)C3CCC(=O)N3c3ccccc3)CC[NH+]2C)c1 to have a lower LogP value.,COc1cccc(C2CN(C(=O)C3CCC(=O)N3c3ccccc3)CC[NH+]2CO)c1
MR,Optimize the molecule COc1ccc(-c2noc(-c3cccn(CC(=O)Nc4ccc(C)c(Cl)c4)c3=O)n2)cc1OC to have a higher MR value.,CC(=O)c1cc(NC(=O)Cn2cccc(-c3nc(-c4ccc(OC)c(OC)c4)no3)c2=O)ccc1C
QED,Optimize the molecule C[NH2+]C(CN(C)CCc1ccccn1)C1CCOC1 to have a lower QED value.,C[NH2+]C(CN(C)CCc1ccccn1)C1COCC1O
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCCCCCC(=O)NCCC[NH2+]Cc1cccnc1
BondNum,"There is a molecule composed of 15 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C[NH+]2CCC([NH3+])C(C)C2C)cc1OC
FunctionalGroup,"Please generate a molecule with 15 hydroxyl groups, and 1 ester group.",C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12
AddComponent,Please add a hydroxyl to the molecule CCCCC=CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.,CCCCC=CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)c(O)c1
SubComponent,Modify the molecule halo by substituting a Clc1cc(C[NH2+]C2CCOC2)cc2c1OCO2 with a nitrile.,N#Cc1cc(C[NH2+]C2CCOC2)cc2c1OCO2
DelComponent,Modify the molecule benzene ring by removing a C#CCn1c(=NC(=O)C2CCCN2S(=O)(=O)c2ccc(OC)cc2)sc2cc(C(=O)OCC)ccc21.,C#CCn1c(=NC(=O)C2CCCN2S(=O)(=O)OC)sc2cc(C(=O)OCC)ccc21
LogP,Please modify the molecule O=S1CCC(O)c2c1ccc(Oc1cc(F)cc(F)c1)c2C(F)F to increase its LogP value.,O=S1CCC(O)c2c1ccc(Oc1cc(F)cc(S)c1)c2C(F)F
MR,Please optimize the molecule O=C(COc1ccccc1Cl)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 to have a higher MR value.,O=C(C(Oc1ccccc1Cl)c1ccccc1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1
QED,Please modify the molecule CCCC(C[NH3+])C(=O)N(C)CCOc1ccc(F)cc1 to decrease its QED value.,CC(=O)c1ccc(OCCN(C)C(=O)C(C[NH3+])CCC)cc1
AtomNum,"Please generate a molecule consisting 35 carbon atoms, 6 oxygen atoms, and 10 nitrogen atoms.",CCCC(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BondNum,"The molecule contains 21 single bonds, 3 double bonds, 5 rotatable bonds, and 23 aromatic bonds.",CC(NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(C(=O)OC(C)(C)C)CC2=Cc1ccc(F)cc1)c1ccccn1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 amide groups.",CCC(=O)N1CCC(C(=O)N2CC[NH+](CC=Cc3ccccc3)CC2)CC1
AddComponent,Modify the molecule COc1cccc(NC(=O)NC(C)C(=O)N2CCCC2)c1 by adding a hydroxyl.,COc1cccc(NC(=O)NC(C)C(=O)N2CCC(O)C2)c1
SubComponent,Substitute a halo in the molecule Clc1nc(-c2cc(Br)c(Cl)s2)nc(Cl)c1C1CCCC1 with a thiol.,Sc1nc(-c2cc(Br)c(Cl)s2)nc(Cl)c1C1CCCC1
DelComponent,Please remove a CC(=O)Nc1ccccc1OC(=O)c1ccc(OCC(C)C)c(Br)c1 from the molecule halo.,CC(=O)Nc1ccccc1OC(=O)c1ccc(OCC(C)C)cc1
LogP,Modify the molecule CCN(c1nccc(NCCc2ccc(F)cc2)n1)C1CCS(=O)(=O)C1 to decrease its LogP value.,CCN(c1nccc(NCCc2ccc(C(=O)[OH])cc2)n1)C1CCS(=O)(=O)C1
MR,Please optimize the molecule CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OCC#N to have a lower MR value.,CCOC(=O)c1nn(Br)c(=O)cc1OCC#N
QED,Optimize the molecule CC1(C)OB(c2ccc(C[NH+]3CCc4ccccc4C3)cc2)OC1(C)C to have a lower QED value.,CC1(C)OB(C[NH+]2CCc3ccccc3C2)OC1(C)C
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCC[NH2+]C(CCOCCC)C1=CCCO1
BondNum,"There is a molecule consisting of 34 single bonds, 6 double bonds, 8 rotatable bonds, and 33 aromatic bonds.",CCCCOC(=O)CCCC1(c2ccccc2)C2C3=CC4Cc5cc6c7c8c5C4C4=C3c3c5c9c%10c%11c3C21C=c%11cc1cc2c3c(c-7c(c=9c3c1%10)C8C45)=C(C6)C2
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 2 nitro groups, 1 thioether group, and 1 sulfide group.",CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc([N+](=O)[O-])cc1
AddComponent,Modify the molecule Cc1csc(C(C)(O)c2nnc(Nc3cc(C)n(Cc4ncccc4F)n3)s2)n1 by adding a benzene ring.,Cc1csc(C(C)(O)c2nnc(Nc3cc(Cc4ccccc4)n(Cc4ncccc4F)n3)s2)n1
SubComponent,Modify the molecule halo by substituting a COCCn1c(C)c(C)c2c(Cl)ncnc21 with a nitro.,COCCn1c(C)c(C)c2c(NO)ncnc21
DelComponent,Modify the molecule benzene ring by removing a COCCNC(=O)C=C(C)c1cc2c(-c3ccccc3)coc2c(C)c1OC.,COCCNC(=O)C=C(C)c1cc2ccoc2c(C)c1OC
LogP,Please optimize the molecule Cc1ccnc(Cl)c1NC(=O)c1cccn1C1CCC1 to have a lower LogP value.,CC(=O)c1nccc(C)c1NC(=O)c1cccn1C1CCC1
MR,Modify the molecule Cc1cc(N2CCC(Nc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc(C)n1 to increase its MR value.,Cc1cc(N2CCC(Nc3c([N+](=O)[O-])cc(C(F)(F)C(=O)[OH])cc3[N+](=O)[O-])CC2)nc(C)n1
QED,Modify the molecule CC(C)(C)N(Cc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)C1(O)CCCc2ncccc21)C(=O)[O-] to have a lower QED value.,CC(C)(C)N(Cc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)C1(NO)CCCc2ncccc21)C(=O)[O-]
AtomNum,"There is a molecule with 25 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCc1cncc(C2=CCC3C4CCC(=O)N5CCCC5(C)C4CCC23C)c1
BondNum,"The molecule consists of 10 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC[NH2+]C(c1cccc(C)c1)c1cc(Cl)c(OC)cc1Cl
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ketone group, and 2 halo groups.",Cc1nc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)ccc1F
AddComponent,Please add a benzene ring to the molecule COC(=O)c1nc(NCCC2CCCC2)sc1C(C)=O.,COC(=O)c1nc(NCCC2CCC(c3ccccc3)C2)sc1C(C)=O
SubComponent,Substitute a CC(=N)c1c(Cl)cc2c3c(cccc13)COC2 in the molecule halo with a hydroxyl.,CC(=N)c1c(O)cc2c3c(cccc13)COC2
DelComponent,Modify the molecule Cc1cc(Cl)c(C(=O)N(CC(=O)[O-])C2CC2)cn1 by removing a halo.,Cc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cn1
LogP,Optimize the molecule Cc1cccc(-c2nc(CC(=O)NCC(=O)NC3CC3)cs2)c1 to have a higher LogP value.,Cc1cccc(-c2nc(CC(=O)NC3CC3)cs2)c1
MR,Please modify the molecule COc1ccc(N(C(=O)COc2ccc(Br)cc2C(C)C)S(=O)(=O)c2ccccc2)cc1Cl to decrease its MR value.,COc1ccc(N(C(=O)COc2ccc(O)cc2C(C)C)S(=O)(=O)c2ccccc2)cc1Cl
QED,Optimize the molecule CNC(=O)c1ccc(OCC[NH2+]CC(O)COc2cccc3c2C(=Cc2ccn[nH]2)C(=O)N3)cc1 to have a higher QED value.,CNC(=O)c1ccc(OCC[NH2+]CCCOc2cccc3c2C(=Cc2ccn[nH]2)C(=O)N3)cc1
AtomNum,"There is a molecule composed of 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CN(C)c1ncccc1OC1CCN(S(=O)(=O)CC2CCCC2)C1
BondNum,"The molecule contains 29 single bonds, 5 double bonds, 12 rotatable bonds, and 12 aromatic bonds.",CCC(C)NC(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(=O)NC(C)C)cc3)CC2)ccc1Cl
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, 1 nitro group, and 1 halo group.",CCCn1nnnc1NC(=S)NC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1
AddComponent,Please add a benzene ring to the molecule c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cccc(-c7ccncc7)c6)c5)nc(-c5cccc(-c6cccc(-c7ccncc7)c6)c5)n4)c3)c2)cc1.,c1ccc(-c2ccccc2-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cccc(-c7ccncc7)c6)c5)nc(-c5cccc(-c6cccc(-c7ccncc7)c6)c5)n4)c3)c2)cc1
SubComponent,Please substitute a halo in the molecule Cc1ccc(C)c(-c2ccc(F)cc2C[NH2+]C(C)C)c1 with a aldehyde.,CC(=O)c1ccc(-c2cc(C)ccc2C)c(C[NH2+]C(C)C)c1
DelComponent,Modify the molecule CCOc1ccc2ccccc2c1C(=O)F by removing a halo.,CCOc1ccc2ccccc2c1C=O
LogP,Modify the molecule CC(C)[NH2+]Cc1cccc(Cl)c1N1C2CCC1CC(O)C2 to have a lower LogP value.,CC(C)[NH2+]Cc1cccc(Cl)c1N1C2CCC1(C#N)CC(O)C2
MR,Modify the molecule O=c1n(C2=CC(Cl)=C(Cl)C(=S)C2Cl)cnn1C(Cl)(Cl)Cl to decrease its MR value.,O=c1n(C2=CC(Cl)=C(Cl)C(=S)C2)cnn1C(Cl)(Cl)Cl
QED,Modify the molecule O=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cc(-c2ccc(O)cc2)on1 to decrease its QED value.,O=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cc(-c2ccc(O)c(O)c2)on1
AtomNum,"Please generate a molecule composed of 30 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 chlorine atom.",CNC(=O)c1cccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccccc4)c3)CC2)c1
BondNum,"Please generate a molecule composed of 11 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCC(CC)(Nc1ccc(S(=O)(=O)CC)cc1)C(=O)[O-]
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amide group.",CCCCc1ccc(N(C)C(=O)c2ccc(C(=O)[O-])c(C)n2)cc1
AddComponent,Modify the molecule CC1CN(C(=O)C2C[NH2+]CCO2)CCC1O by adding a benzene ring.,CC1CN(C(=O)C2C[NH2+]C(c3ccccc3)CO2)CCC1O
SubComponent,Modify the molecule halo by substituting a COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)Oc3ccccc3)nc2)cc1 with a thiol.,COc1ccc(S)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)Oc3ccccc3)nc2)cc1
DelComponent,Modify the molecule amine by removing a Nc1cc(Br)c(NC(=O)Nc2ccc(Cl)cc2)c(Br)c1.,O=C(Nc1ccc(Cl)cc1)Nc1c(Br)cccc1Br
LogP,Please optimize the molecule Cc1cc(C)c(CNC(=O)c2cc(Cl)c3c(c2C)OC(C)(CC2CCN(C(=O)OC(C)(C)C)CC2)O3)c(=O)[nH]1 to have a lower LogP value.,CC(=O)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c2c1OC(C)(CC1CCN(C(=O)OC(C)(C)C)CC1)O2
MR,Modify the molecule COc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(Cl)cc2)C(C)C1=O to decrease its MR value.,COc1ccc(Cl)cc1N1CCN(C(=O)COCl)C(C)C1=O
QED,Please optimize the molecule CCOC(=O)C(O)(c1cc(F)ccc1O)C(F)(F)F to have a higher QED value.,CCOC(=O)C(O)(c1cc(F)ccc1O)C(F)F
AtomNum,"The molecule contains 21 carbon atoms, 7 oxygen atoms, and 2 nitrogen atoms.",COC(=O)c1cc2c(nc1C)C(COC(=O)Oc1ccc([N+](=O)[O-])cc1)CCCC2
BondNum,"Please generate a molecule composed of 7 single bonds, 4 rotatable bonds, and 16 aromatic bonds.",Cc1cccc(NC(c2ccco2)c2ccc(Cl)s2)c1Br
FunctionalGroup,"There is a molecule with 2 amide groups, 1 thioether group, and 1 sulfide group.",CNC(=O)C(C(=O)[O-])N1C(=O)CSC1=S
AddComponent,Please add a hydroxyl to the molecule COc1cc(NC(=O)CSCCNC(=O)OC(C)(C)C)c(C(=O)[O-])cc1OC.,COc1cc(NC(=O)CSCCNC(=O)OC(C)(C)C)c(C(=O)[O-])cc1OCO
SubComponent,Modify the molecule halo by substituting a CCN(CC)c1ccc(C=C2SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 with a nitrile.,CCN(CC)c1ccc(C=C2SC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1
DelComponent,Remove a benzene ring from the molecule N#Cc1c(N)[nH]c2cc(=O)ccc-2c1-c1ccc(O)cc1.,N#Cc1c(N)[nH]c2cc(=O)ccc-2c1O
LogP,Modify the molecule Cc1ccc(NC(=O)C2(CC3CC(c4cccc(F)c4)=NO3)CCOCC2)cc1C to have a lower LogP value.,Cc1ccc(NC(=O)C2(CC3CC(c4cccc(NO)c4)=NO3)CCOCC2)cc1C
MR,Modify the molecule CCOc1ncccc1NS(=O)(=O)CC(C)CCl to increase its MR value.,CCOc1ncccc1NS(=O)(=O)CC(C)CS
QED,Modify the molecule CCC(c1ccccn1)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21 to have a lower QED value.,CCC(c1ccccn1)n1cc(C)c2nc(-c3c(-c4ccccc4)cc(C(C)C)nc3OC)c(C)cc21
AtomNum,"Please generate a molecule composed of 23 carbon atoms, 8 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",CCOc1ccc(CC2(C(=O)[O-])CCCO2)cc1COC(=O)Nc1ccc2c(c1F)OCO2
BondNum,"There is a molecule with 10 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",O=C(NCc1cccc(F)c1)C1=CCC(c2ccccc2)C=C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",COCC(O)C[NH+](C)Cc1ccc(OC)c(F)c1
AddComponent,Modify the molecule COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1F by adding a benzene ring.,COCC(CCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1F)c1ccccc1
SubComponent,Substitute a halo in the molecule Cc1cc(F)c(N)cc1S(=O)(=O)N1CCCC(C)(C)CC1 with a hydroxyl.,Cc1cc(O)c(N)cc1S(=O)(=O)N1CCCC(C)(C)CC1
DelComponent,Remove a benzene ring from the molecule CCCCCCCCCCCCCCCCNC(=S)NN=Cc1cc(Br)ccc1O.,CCCCCCCCCCCCCCCCNC(=S)NN=COBr
LogP,Please optimize the molecule Cc1cccc(F)c1CC(Br)C(=O)C(C)(C)C to have a lower LogP value.,Cc1cccc(C(=O)[OH])c1CC(Br)C(=O)C(C)(C)C
MR,Optimize the molecule COCCN1CCC([NH+]2CCCN(C(=O)CCCc3ccccc3)CC2)C1=O to have a higher MR value.,COCC(O)N1CCC([NH+]2CCCN(C(=O)CCCc3ccccc3)CC2)C1=O
QED,Optimize the molecule Cc1ccc(COc2c(Cl)cc(C=C3NC(=O)N(CC(=O)[O-])C3=O)cc2Cl)cc1 to have a higher QED value.,CCOc1c(Cl)cc(C=C2NC(=O)N(CC(=O)[O-])C2=O)cc1Cl
AtomNum,"The molecule contains 10 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CCCc1nnc(NCc2nccn2C)o1
BondNum,"There is a molecule consisting of 12 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",Cc1c(Cl)cccc1OCC(=O)Nc1ccccc1C(=O)NC(C)C
FunctionalGroup,"There is a molecule composed of 1 ester group, 1 amine group, and 1 halo group.",CC(C)OC(=O)CNP1(=O)OCOC(=O)OC2C(CO1)OC(n1ccc(=O)[nH]c1=O)C2(C)F
AddComponent,Add a hydroxyl to the molecule CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1.,CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC(C)(C)O)c(Br)c2)cc1
SubComponent,Substitute a halo in the molecule CCC(c1ccc(F)cc1)C(Br)C(C)C with a thiol.,CCC(c1ccc(S)cc1)C(Br)C(C)C
DelComponent,Modify the molecule halo by removing a COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(SC(C)C)s2)c2ccc(Cl)cc2)cc1OC.,COc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(SC(C)C)s2)c2ccccc2)cc1OC
LogP,Please modify the molecule CS(=O)(=O)N1CCCC(NC(=O)c2cc3c(cc2O)CCCC3)C1 to increase its LogP value.,CS(=O)(=O)N1CCCC(c2(O)cc3c(c-2)CCCC3)C1
MR,Modify the molecule CC([NH2+]C1COCc2ccccc21)c1cc(F)ccc1F to increase its MR value.,CC([NH2+]C1COCc2ccccc21)c1c(F)ccc(F)c1O
QED,Please optimize the molecule O=C(NCCC1=CCCC1)c1ncccc1Br to have a lower QED value.,O=C(NCCC1=CCC(c2ccccc2)C1)c1ncccc1Br
AtomNum,"There is a molecule composed of 12 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC(C)OCC1([NH3+])CCCCCCC1
BondNum,"There is a molecule consisting of 18 single bonds, 2 double bonds, 12 rotatable bonds, and 6 aromatic bonds.",CCOP(=O)(OCC)C(C)CC(=O)N(Cc1ccccc1)C(CC)CO
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 halo groups.",CCC[NH2+]CC(C)(C)COc1cc(F)ccc1Br
AddComponent,Add a hydroxyl to the molecule CCCCCc1cc2ccc(OCCC)c(F)c2c(=O)o1.,CCCOc1ccc2cc(CCC(O)CC)oc(=O)c2c1F
SubComponent,Modify the molecule halo by substituting a CC(CCc1ccc(OC(C)C)cc1)NC(=O)COc1ccccc1F with a nitrile.,CC(CCc1ccc(OC(C)C)cc1)NC(=O)COc1ccccc1C#N
DelComponent,Modify the molecule Cc1ccc(S(=O)(=O)N2CCC(OCC(=O)NC3CCC(C(c4ccc(F)cc4)[NH+](C)C)CC3)C2)cc1 by removing a benzene ring.,C[NH+](C)C(c1ccc(F)cc1)C1CCC(NC(=O)COC2CCN(S(C)(=O)=O)C2)CC1
LogP,Please modify the molecule CC(C)CC([NH3+])C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(C)C(=O)NCC(=O)NN to increase its LogP value.,CC(C)CC([NH3+])C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCC(N)N)C(=O)NC(C)C(=O)NCC(=O)NN
MR,Please optimize the molecule N#Cc1ccc(S(=O)(=O)NOCC(F)(F)F)s1 to have a lower MR value.,N#Cc1ccc(S(=O)(=O)NOCC(F)F)s1
QED,Please modify the molecule Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCN(C)CC23CCCCC3)c1 to decrease its QED value.,Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCN(C)C(c3ccccc3)C23CCCCC3)c1
AtomNum,"The molecule has 17 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",O=C1CCOc2c(C#CC3CCCCC3)cccc2N1
BondNum,"Please generate a molecule composed of 17 single bonds, 4 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",CC(=O)Nc1nc(CCc2ccc(N(C(=O)[O-])C(C)(C)C)cc2)c(Cc2ccc(S(C)(=O)=O)cc2)s1
FunctionalGroup,Please generate a molecule consisting and 1 ester group.,COC(=O)C1C2CC(C=C2C)C1C(=O)[O-]
AddComponent,Modify the molecule CCc1cnc(OCCc2ccc(Oc3cnc(C)nc3)cc2)[nH]c1=O by adding a amine.,CCc1cnc(OCCc2ccc(Oc3cnc(C)nc3)cc2N)[nH]c1=O
SubComponent,Modify the molecule halo by substituting a O=C(CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)OCc1ccccc1 with a carboxyl.,O=C(CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(C(=O)[OH])c2C1=O)OCc1ccccc1
DelComponent,Please remove a halo from the molecule OC(c1cc(F)ccc1Br)c1cc(Cl)sc1Cl.,OC(c1ccccc1Br)c1cc(Cl)sc1Cl
LogP,Please optimize the molecule CCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCC=CCCC=CCCCCCCCCCCCCCCCC)COC1OC(CO)C(O)C(O)C1O to have a higher LogP value.,CCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCC=CCCC=CCCCCCCCCCCCCCCCC)COC1OC(CO)C(O)CC1O
MR,Optimize the molecule CC1CCC(CO)(Nc2cc(C(F)(F)F)ccn2)CC1 to have a lower MR value.,CC1CCC(CO)(Nc2cc(C(F)F)ccn2)CC1
QED,Please optimize the molecule Cc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c(C)n1Cc1ccccn1 to have a higher QED value.,Cc1c2CCCN(S(C)(=O)=O)CCc-2(C)n1Cc1ccccn1
AtomNum,"The molecule consists of 29 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",Cc1cn(Cc2ccccc2OCCCCC(C)(C)C(=O)[O-])c(-c2ccc(-c3ccco3)cc2)[nH+]1
BondNum,"The molecule contains 19 single bonds, 2 double bonds, 1 triple bond, 11 rotatable bonds, and 23 aromatic bonds.",N#Cc1ccc(Cn2cncc2C[NH2+]C2CCN(C(=O)c3cccc(Cl)c3)C2=O)cc1OCCCc1ccccc1
FunctionalGroup,"There is a molecule consisting of 4 benzene ring groups, 5 amide groups, and 1 halo group.",COc1ccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3C)CC2)cc1NC(=O)c1cccc(C)c1
AddComponent,Modify the molecule CCN1CC[NH+](CCOc2cnc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c(OC)c2)CC1 by adding a hydroxyl.,COc1cc(OCC[NH+]2CCN(C(C)O)CC2)cnc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1
SubComponent,Modify the molecule O=C(Nc1ccn(-c2ccc(F)cc2)n1)C1(c2cnccn2)CC1 by substituting a halo with a hydroxyl.,O=C(Nc1ccn(-c2ccc(O)cc2)n1)C1(c2cnccn2)CC1
DelComponent,Remove a amide from the molecule Cn1cc(CC(=O)Nc2ncccn2)c2ccccc21.,Cn1cc(-c2ncccn2)c2ccccc21
LogP,Modify the molecule CCc1cn[nH]c1NS(=O)(=O)c1c[nH+]c(C)[nH]1 to have a higher LogP value.,CCc1cn[nH]c1S(=O)(=O)c1c[nH+]c(C)[nH]1
MR,Modify the molecule CC(C)(C)OC(=O)N(c1cccc(N[O-])c1)c1nc(Cl)ncc1F to decrease its MR value.,CC(C)(C)OC(=O)N(c1cccc([O-])c1)c1nc(Cl)ncc1F
QED,Please modify the molecule O=C(NC1(Cc2ccccc2)C(=O)OC(c2ccccc2)=CC1c1ccccc1)c1cccc(Cl)c1 to increase its QED value.,O=C(NC1(Cc2ccccc2)C(=O)OC(c2ccccc2)=CC1c1ccccc1)c1ccccc1
AtomNum,"There is a molecule composed of 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",CC(C)C1CC[NH+](CC(=O)c2sccc2Br)C1
BondNum,"The molecule consists of 8 single bonds, 7 rotatable bonds, and 36 aromatic bonds.",CCc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3ccccc3-c3ccccc3)cc2)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 3 halo groups.",C[NH2+]CCCNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1
AddComponent,Modify the molecule C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(=O)OCC)C3)cc1 by adding a benzene ring.,C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(=O)OCC)C3)c(-c2ccccc2)c1
SubComponent,Substitute a hydroxyl in the molecule COc1cc(C(=O)NC2C(C)OC(CO)C2O)ccc1O with a halo.,COc1cc(C(=O)NC2C(C)OC(CF)C2O)ccc1O
DelComponent,Please remove a halo from the molecule COC1(CC(=O)Nc2ccc(S(=O)(=O)Cl)c(F)c2)CCC1.,COC1(CC(=O)Nc2ccc(S(=O)(=O)Cl)cc2)CCC1
LogP,Modify the molecule CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1nc(N)n[nH]1 to increase its LogP value.,CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ncn[nH]1
MR,Please modify the molecule CCc1ccc2c(c1)C([NH2+]CCN(C)C)CC(CC)(CC)O2 to increase its MR value.,CCc1cc(C(=O)O)c2c(c1)C([NH2+]CCN(C)C)CC(CC)(CC)O2
QED,Modify the molecule Cc1ccc(CO)cc1S(=O)(=O)NCCC(C)C to decrease its QED value.,Cc1cc(C(=O)O)c(CO)cc1S(=O)(=O)NCCC(C)C
AtomNum,"Please generate a molecule with 21 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",O=C1CCC(=O)N(c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)N1
BondNum,"There is a molecule composed of 13 single bonds, 3 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccc(C)c(NS(C)(=O)=O)c3)c2C)cc1Cl
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, and 3 halo groups.",O=C(CCc1c[nH]c2ccccc12)OCc1cccc(C(F)(F)F)c1
AddComponent,Modify the molecule Cc1cccn2nc(NCCC(=O)N(C)C)nc12 by adding a hydroxyl.,Cc1cc(O)cn2nc(NCCC(=O)N(C)C)nc12
SubComponent,Substitute a CN(C)C(=O)CC[NH2+]C1CCSc2c(F)cccc21 in the molecule halo with a nitrile.,CN(C)C(=O)CC[NH2+]C1CCSc2c(C#N)cccc21
DelComponent,Please remove a CCC(=O)C(C=O)(CCC=O)C(C)O from the molecule hydroxyl.,CCC(=O)C(C=O)(CC)CCC=O
LogP,Modify the molecule CC(C)(C)OC(=O)Nc1cccc(CC[NH+]2CCCC2CN2c3ccccc3COc3ccccc32)c1 to decrease its LogP value.,CC(C)(CO)OC(=O)Nc1cccc(CC[NH+]2CCCC2CN2c3ccccc3COc3ccccc32)c1
MR,Modify the molecule COc1ccc(C(C)(C)C(=O)Nc2cccc(N(C)C)c2)cc1 to have a lower MR value.,COc1ccc(C(C)(C)C(=O)NN(C)C)cc1
QED,Modify the molecule CCCNC(=O)C[NH+](C)Cc1nc(NCC)ccc1Cl to decrease its QED value.,CCNc1ccc(Cl)c(C[NH+](C)CC(=O)NCCCO)n1
AtomNum,"The molecule is composed of 16 carbon atoms, 1 nitrogen atom, and 1 chlorine atom.",C=Cc1ccccc1-c1cc(C)cc[n+]1CCCl
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, 5 rotatable bonds, and 22 aromatic bonds.",O=C(NCCc1cccc2cccnc12)c1csc(-c2ccc3c(c2)OCCO3)n1
FunctionalGroup,"Please generate a molecule composed of 2 ester groups, and 1 amine group.",Nc1ccn(C2CC3COC(=O)CCC(=O)OC=C3O2)c(=O)n1
AddComponent,Modify the molecule C=Cc1ccc(NC(C)C)nc1 by adding a benzene ring.,C=Cc1ccc(NC(C)Cc2ccccc2)nc1
SubComponent,Please substitute a COC(=O)C=CC(=O)NC1CCC2(O)C3Cc4ccc(O)c(OC)c4C2(CC[NH+]3CC2CC2)C1 in the molecule hydroxyl with a nitro.,COC(=O)C=CC(=O)NC1CCC2(NO)C3Cc4ccc(O)c(OC)c4C2(CC[NH+]3CC2CC2)C1
DelComponent,Remove a amide from the molecule CC1(c2ccc(Cl)c(Cl)c2)C(C(=O)C[NH3+])N(C(=O)c2ccc(F)c3ccccc23)CC[NH+]1C1CC[NH+](Cc2ccccc2)CC1.,CC1(c2ccc(Cl)c(Cl)c2)C(C(=O)C[NH3+])c2cc(F)c3ccccc3-2CC[NH+]1C1CC[NH+](Cc2ccccc2)CC1
LogP,Optimize the molecule COC(=O)c1c(C)cc2c(ccc(=O)n2-c2c(Cl)cccc2Cl)c1C(=O)c1ccccc1Cl to have a lower LogP value.,COC(=O)c1c(C)cc2c(ccc(=O)n2-c2c(S)cccc2Cl)c1C(=O)c1ccccc1Cl
MR,Modify the molecule CN1c2ccccc2C(=O)c2ccc(I)cc2S1(=O)=O to decrease its MR value.,CN1c2ccccc2C(=O)c2ccc(O)cc2S1(=O)=O
QED,Modify the molecule Cc1ccc(SCC(=O)NC2CCCC2C[NH3+])cc1 to have a lower QED value.,CSCC(=O)NC1CCCC1C[NH3+]
AtomNum,"There is a molecule with 19 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CNC(=O)C1N(C(=O)C(O)C(Cc2ccccc2)NC(C)=O)CSC1(C)C
BondNum,"There is a molecule consisting of 13 single bonds, 1 double bond, 4 rotatable bonds, and 18 aromatic bonds.",Fc1cccc(C2Nc3ccc(CSc4ccccc4)cc3C3C=CCC32)c1
FunctionalGroup,"The molecule contains 2 amide groups, and 1 halo group.",Cn1c(CCNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)c3ccco3)ccc21
AddComponent,Add a benzene ring to the molecule O=C(Nc1nc2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2[nH]1)c1cn2ccccc2[nH+]1.,O=C(Nc1nc2ccc(-c3ccc(F)c(C(F)(F)F)c3)c(-c3ccccc3)c2[nH]1)c1cn2ccccc2[nH+]1
SubComponent,Substitute a CCCCC(C(=O)C(NC(=O)OC(C)(C)C)C(O)C(C)C)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 in the molecule hydroxyl with a thiol.,CCCCC(C(=O)C(NC(=O)OC(C)(C)C)C(S)C(C)C)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1
DelComponent,Please remove a CCN(CC)C1=[Se](Cl)[Se]C(c2ccccc2)=N1 from the molecule halo.,CCN(CC)C1=[Se][Se]C(c2ccccc2)=N1
LogP,Please modify the molecule CC(=O)N(C)C1CCN(S(=O)(=O)c2cccc3c2OC(F)(F)O3)CC1 to increase its LogP value.,CC1CCN(S(=O)(=O)c2cccc3c2OC(F)(F)O3)CC1
MR,Please optimize the molecule CCN(C(=O)c1cnc(N(C)Cc2ccccc2)cn1)c1ccccc1 to have a higher MR value.,CCN(C(=O)c1cnc(N(C)Cc2ccccc2)cn1)c1ccccc1O
QED,Modify the molecule COc1ccc(CNC(=O)c2ccc(-n3nc(C)cc3C)nc2)cn1 to have a lower QED value.,COc1ccc(C(CC=O)NC(=O)c2ccc(-n3nc(C)cc3C)nc2)cn1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",COc1ccc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c(OC)c1
BondNum,"The molecule contains 5 single bonds, 1 rotatable bond, and 6 aromatic bonds.",FC(F)(F)C[n+]1ccncc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ketone group, and 2 amine groups.",O=C1CNC(c2ccccc2)=[NH+]C1
AddComponent,Add a hydroxyl to the molecule CCc1c(-c2ccccc2)ccc2c1-c1c(ccc(-c3ccccc3)c1CC)OCCCCO2.,CCc1c(-c2ccccc2)ccc2c1-c1c(ccc(-c3ccc(O)cc3)c1CC)OCCCCO2
SubComponent,Please substitute a halo in the molecule CCN(CC)C(=O)c1cc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)N(C)C)cc3C)CC2)C(C)C)ccc1Cl with a nitro.,CCN(CC)C(=O)c1cc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)N(C)C)cc3C)CC2)C(C)C)ccc1NO
DelComponent,Remove a C=CCn1c(SCC(=O)N2CCCC2=O)nc2scc(-c3cccs3)c2c1=O from the molecule amide.,C=CCn1c([SH]2CCCC2=O)nc2scc(-c3cccs3)c2c1=O
LogP,Please optimize the molecule CCC(C)(C)c1ccc(OCCC([NH2+]C)C(N)=O)cc1 to have a higher LogP value.,CCC(C)(C)c1ccc(OCC[NH2+]C)cc1
MR,Modify the molecule COC(=O)c1c[nH]c2c1-c1ncccc1C[NH+](Cc1ccccc1)C2 to have a higher MR value.,COC(=O)c1c[nH]c2c1-c1ncc(O)cc1C[NH+](Cc1ccccc1)C2
QED,Please optimize the molecule CCCOC(=O)c1ccc(NC(=O)CSc2nnc(C3Oc4ccccc4OC3C)n2-c2ccccc2)cc1 to have a higher QED value.,CCCOC(=O)c1ccc(Sc2nnc(C3Oc4ccccc4OC3C)n2-c2ccccc2)cc1
AtomNum,"The molecule has 12 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COCCCSCC(=O)Nc1ccc(N)cc1
BondNum,"The molecule has 12 single bonds, 3 double bonds, 8 rotatable bonds, and 11 aromatic bonds.",CCCc1ccc(NC(=O)C(NS(=O)(=O)c2cccs2)C(C)C)cc1
FunctionalGroup,Please generate a molecule consisting and 1 amine group.,CCCCCC1C=NNC1=S
AddComponent,Please add a carboxyl to the molecule O=C(c1ccc(O)cc1)c1ccccc1-c1ccccc1.,O=C(O)c1ccccc1-c1ccccc1C(=O)c1ccc(O)cc1
SubComponent,Modify the molecule halo by substituting a COc1ccc(CSCC(=O)Nc2ccc(C(C)C)cc2)cc1F with a carboxyl.,COc1ccc(CSCC(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)[OH]
DelComponent,Please remove a O=C([O-])c1nc(-c2cccc(F)c2)n2c(O)cccc12 from the molecule hydroxyl.,O=C([O-])c1nc(-c2cccc(F)c2)n2ccccc12
LogP,Modify the molecule CCOC(=O)N1C2CCC1CC([NH+]1CCC(C#N)(c3ccccc3OC)CC1)CC2 to increase its LogP value.,CCOC(=O)N1C2CCC1CC([NH+]1CCC(c3ccccc3OC)CC1)CC2
MR,Optimize the molecule CC(C)N1C(N)=[NH+]CC1(C)c1ccc(F)cn1 to have a lower MR value.,CC(C)N1C(N)CC1(C)c1ccc(F)cn1
QED,Modify the molecule COc1ccc(C2CC3C4[NH2+]N=C(SCC(=O)Nc5ccc(C)c(C)c5)N4C=CN3N2)cc1 to have a higher QED value.,COC1CC2C3[NH2+]N=C(SCC(=O)Nc4ccc(C)c(C)c4)N3C=CN2N1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",CCOc1ccn2cc(C3CC3c3nc4c(C)ncc(C)n4n3)[nH+]c2c1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCC(C)(CO)NC(=O)Nc1ccc(F)cc1Cl
FunctionalGroup,"Please generate a molecule composed of 1 amide group, and 1 halo group.",Cc1cc(Br)cnc1N1CCN(C)C(=O)C1
AddComponent,Please add a hydroxyl to the molecule C=C1N(C)C2=C(COCC2)C(=O)N1c1ccc(Br)cn1.,CN1C(=CO)N(c2ccc(Br)cn2)C(=O)C2=C1CCOC2
SubComponent,Substitute a halo in the molecule COc1ccc(CCNC(=O)CSc2nnc(C(C)[NH+](C)C)n2-c2ccc(Cl)cc2)cc1 with a hydroxyl.,COc1ccc(CCNC(=O)CSc2nnc(C(C)[NH+](C)C)n2-c2ccc(O)cc2)cc1
DelComponent,Remove a halo from the molecule COc1cc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2Cl)cc(Cl)c1OCC(N)=O.,COc1cc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)cc(Cl)c1OCC(N)=O
LogP,Modify the molecule OCCC1CCCC[NH+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 to decrease its LogP value.,OCCC1CCCC[NH+]1Cc1csc(C(F)(F)F)n1
MR,Optimize the molecule Cc1ccc(-c2nn(-c3ccccc3)cc2C2=NN(C(=O)C[NH+]3CCOCC3)C(c3ccco3)C2)cc1 to have a lower MR value.,Cc1nn(-c2ccccc2)cc1C1=NN(C(=O)C[NH+]2CCOCC2)C(c2ccco2)C1
QED,Optimize the molecule COc1c(F)cc(-c2nc(-c3ccccc3Cl)sc2-c2ccccc2S(C)(=O)=O)cc1F to have a higher QED value.,COc1c(F)cc(-c2nc(-c3ccccc3Cl)sc2S(C)(=O)=O)cc1F
AtomNum,"The molecule consists of 15 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)[NH2+]C1CC[NH+](Cc2cnc(C3CC3)s2)CC1
BondNum,"There is a molecule composed of 9 single bonds, 3 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",CC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc[nH]c1=O
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 2 thioether groups, and 1 sulfide group.",CSCCC(C(=O)N1CC[NH+](CCOc2ccccc2)CC1)n1cccc1
AddComponent,Add a amine to the molecule O=C(CCN1CCCCO1)NCC1(Cn2ccnc2)CC1.,NC(NC(=O)CCN1CCCCO1)C1(Cn2ccnc2)CC1
SubComponent,Please substitute a thiol in the molecule CCC(S)=C(S)c1c(C)cc(C)cc1C with a nitrile.,CCC(C#N)=C(S)c1c(C)cc(C)cc1C
DelComponent,Please remove a halo from the molecule Cn1nnc(CC(NN)c2cc(Cl)ccc2Cl)n1.,Cn1nnc(CC(NN)c2cccc(Cl)c2)n1
LogP,Optimize the molecule C=CC(O)C(O)CNC(=O)NCc1ccccc1 to have a lower LogP value.,C=CC(O)C(O)CNC(=O)NC
MR,Please optimize the molecule CCNc1nc(C)c([N+](=O)[O-])c(Sc2ccoc2C)n1 to have a higher MR value.,CCNc1nc(C)c([SH]=O)c(Sc2ccoc2C)n1
QED,Modify the molecule c1cnc2c(n1)Nc1cc(C[NH+]3CCC3)ccc1S2 to have a lower QED value.,Oc1cnc2c(n1)Nc1cc(C[NH+]3CCC3)ccc1S2
AtomNum,"There is a molecule consisting of 110 carbon atoms, and 2 nitrogen atoms.",c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3c(c4ccc(-c6cccc(N(c7cccc(-c8ccccc8)c7)c7ccc8c9c(ccc8c7)-c7c(c8ccccc8c8ccccc78)C97c8ccccc8-c8ccccc87)c6)cc4c4ccccc34)C53c4ccccc4-c4ccccc43)cc2)cc1
BondNum,"Please generate a molecule with 21 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 4 amide groups.",C=CCCN(CC(CC(=O)NCCc1ccccc1)OC)C(=O)CC(OC)C(C(CC)CC)N(C)C(=O)C(NC(=O)CN(C)[O-])C(C)C
AddComponent,Add a benzene ring to the molecule CC(C)(C)OC(=O)Nc1cc(-c2ccccc2)sc1NC(=O)c1cnc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1.,CC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)Nc4sc(-c5ccccc5)cc4NC(=O)OC(C)(C)Cc4ccccc4)cnc3c2)CC1
SubComponent,Modify the molecule OC1(c2cscn2)C[NH2+]C1 by substituting a hydroxyl with a thiol.,SC1(c2cscn2)C[NH2+]C1
DelComponent,Remove a benzene ring from the molecule CC(C)(Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1.,CC(C)(C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
LogP,Optimize the molecule O=C1CC2(CCCCC2)N(Cc2ncc(-c3ccc(Br)cc3)o2)N1 to have a lower LogP value.,ONc1ccc(-c2cnc(CN3NC(=O)CC34CCCCC4)o2)cc1
MR,Please modify the molecule Cc1cc2occ(CC(=O)Nc3ccc(NC(N)=O)cc3)c2cc1C(C)C to increase its MR value.,Cc1cc2occ(CC(=O)Nc3ccc(NC(N)=O)c(O)c3)c2cc1C(C)C
QED,Modify the molecule Cc1ccc(-c2nc(SCc3nccn3C(F)F)n[nH]2)cc1 to have a lower QED value.,Cc1ccc(-c2nc(SCc3nccn3C(O)F)n[nH]2)cc1
AtomNum,"Please generate a molecule consisting 9 carbon atoms, 1 sulfur atom, 1 fluorine atom, 1 chlorine atom, and 1 bromine atom.",Fc1c(CBr)ccc2c(Cl)csc12
BondNum,"Please generate a molecule consisting 8 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",CCC([NH3+])CN(C)c1ccn(C)n1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 amide groups, 1 amine group, 1 halo group, 1 nitrile group, and 1 sulfone group.",Cc1ccnc([N-]S(=O)(=O)c2ccc(N3C(=O)C(Cl)=C(Nc4ccccc4C#N)C3=O)cc2)n1
AddComponent,Add a benzene ring to the molecule CCOC(=O)c1cn(-c2cc(N)c(F)cc2CO)c2c(Cl)c(N3CCCN(C(=O)OC(C)(C)C)C3)c(F)c(C)c2c1=O.,CCOC(=O)c1cn(-c2cc(N)c(F)cc2CO)c2c(Cl)c(N3CCCN(C(=O)OC(C)(C)Cc4ccccc4)C3)c(F)c(C)c2c1=O
SubComponent,Substitute a halo in the molecule CCCOC(=O)c1cccc(N2C(=O)C(Nc3ccc(C(F)(F)F)cc3)=C(Sc3ccccc3)C2=O)c1 with a carboxyl.,CCCOC(=O)c1cccc(N2C(=O)C(Nc3ccc(C(F)(F)C(=O)[OH])cc3)=C(Sc3ccccc3)C2=O)c1
DelComponent,Please remove a O=C(NCCc1ccccc1F)N1CCN(c2ccccc2F)CC1 from the molecule benzene ring.,O=C(NCCc1ccccc1F)N1CCN(F)CC1
LogP,Please optimize the molecule CCOC(OCC)C(=O)Cc1ccn(C)n1 to have a lower LogP value.,CCOC(OCC)(C(=O)O)C(=O)Cc1ccn(C)n1
MR,Modify the molecule Cc1cccc(C[NH2+]Cc2cncc(F)c2)c1 to increase its MR value.,Cc1cccc(C[NH2+]Cc2cncc(O)c2)c1
QED,Modify the molecule COCCC[NH+](CCOC)Cc1cccc(C(N)=[NH+]O)c1 to decrease its QED value.,COCCC[NH+](CCOC)CC(N)=[NH+]O
AtomNum,"The molecule has 13 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COc1ccc(C2(C(=O)[O-])CCCC[NH2+]2)cc1
BondNum,"There is a molecule composed of 17 single bonds, 4 double bonds, 12 rotatable bonds, and 35 aromatic bonds.",COc1cccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccc(SC(C(=O)Nc3ccc4ccccc4c3)c3ccccc3)cc2)c1OC
FunctionalGroup,"The molecule contains 1 amide group, and 1 sulfide group.",Cc1nc(CNC(=O)c2sccc2C(C)C)oc1C
AddComponent,Add a benzene ring to the molecule CC[NH2+]Cc1sc(COC)nc1C(F)(F)F.,COCc1nc(C(F)(F)F)c(C[NH2+]C(C)c2ccccc2)s1
SubComponent,Modify the molecule halo by substituting a C[NH2+]C(C)C1NCCc2c1cc(F)c(F)c2F with a thiol.,C[NH2+]C(C)C1NCCc2c1cc(S)c(F)c2F
DelComponent,Modify the molecule CC(NC(=O)c1cc(N)ccc1[N+](=O)[O-])c1ccncc1 by removing a nitro.,CC(NC(=O)c1(O[O-])cc(N)cc-1)c1ccncc1
LogP,Modify the molecule C=C1CCC2C3C(O)C(O)C4CC([NH3+])CCC4(C)C3CCC12C to increase its LogP value.,C=C1CCC2C3C(S)C(O)C4CC([NH3+])CCC4(C)C3CCC12C
MR,Modify the molecule O=C([O-])CCNC(=O)c1sc2ccccc2c1Cl to increase its MR value.,O=C([O-])CCNC(=O)c1sc2ccccc2c1C(=O)[OH]
QED,Modify the molecule CC1(F)C[NH2+]CCN(C(=O)Nc2cccc(-n3ccnn3)c2)C1 to have a lower QED value.,CC1C[NH2+]CCN(C(=O)Nc2cccc(-n3ccnn3)c2)C1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C1CCC([NH3+])CC1
BondNum,"The molecule has 10 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",COc1cccc(C(C)NC(=O)C([NH3+])CO)n1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amine group, and 2 sulfone groups.",CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1S(=O)(=O)N1CCCC1
AddComponent,Modify the molecule CCCc1c(Cl)ncnc1NCC1CCCC[NH+]1C by adding a carboxyl.,CCCc1c(Cl)ncnc1NCC1CCCC(C(=O)O)[NH+]1C
SubComponent,Substitute a CC(C)COc1cccc(-c2cc(CCl)c(C(C)C)o2)c1 in the molecule halo with a aldehyde.,CC(=O)Cc1cc(-c2cccc(OCC(C)C)c2)oc1C(C)C
DelComponent,Remove a halo from the molecule CCOCn1cc(NC(=O)c2ccc(COc3ccc(Br)cc3Cl)o2)cn1.,CCOCn1cc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cn1
LogP,Optimize the molecule CN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc(F)cc1 to have a lower LogP value.,CN(Cc1ccc2c(c1)OCO2)C(=O)COF
MR,Modify the molecule CCC(O)C1CCCC[NH+]1Cc1nc2c(F)cccc2[nH]1 to increase its MR value.,CCC(S)C1CCCC[NH+]1Cc1nc2c(F)cccc2[nH]1
QED,Optimize the molecule Cc1cccc(C)c1-n1nnnc1C(c1ccc(Cl)cc1Cl)N(C)C=O to have a lower QED value.,Cc1ccc(-c2ccccc2)c(C)c1-n1nnnc1C(c1ccc(Cl)cc1Cl)N(C)C=O
AtomNum,"There is a molecule composed of 6 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CCOc1nnc(N)c(C#N)n1
BondNum,"Please generate a molecule with 11 single bonds, and 5 rotatable bonds.",CCCCC(C)(CCl)C1CC1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,CCOCCC[NH+](C)Cc1ccccc1C[NH3+]
AddComponent,Add a hydroxyl to the molecule CC(C)C[NH+](CCCCC(C)(C)C(=O)[O-])CCN(C)C.,CC(C)C[NH+](CCCC(O)C(C)(C)C(=O)[O-])CCN(C)C
SubComponent,Modify the molecule Cc1cc(S(=O)(=O)N2CCN(c3nc(Cc4cccc(C)c4C)cs3)CC2)c(Cl)cc1Cl by substituting a halo with a carboxyl.,Cc1cc(S(=O)(=O)N2CCN(c3nc(Cc4cccc(C)c4C)cs3)CC2)c(C(=O)[OH])cc1Cl
DelComponent,Remove a benzene ring from the molecule C=C(B1OC(C)(C)C(C)(C)O1)C(CCOC(C)=O)C[Si](C)(c1ccccc1)c1ccccc1.,C=C(B1OC(C)(C)C(C)(C)O1)C(CCOC(C)=O)C[Si](C)c1ccccc1
LogP,Please modify the molecule CCNc1nc(C)cc(NCCC(C)C)n1 to increase its LogP value.,CCc1nc(C)cc(NCCC(C)C)n1
MR,Modify the molecule CN(Cc1ccccc1C#CCO)C(=O)C1(C)CCCC1 to increase its MR value.,CC(=O)CC#Cc1ccccc1CN(C)C(=O)C1(C)CCCC1
QED,Please modify the molecule O=CCC1=Cc2ccccc2C(=O)C1=O to increase its QED value.,NC(=O)CC1=Cc2ccccc2C(=O)C1=O
AtomNum,"The molecule has 10 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 bromine atom.",COC(=O)Cn1nnnc1Cc1cccc(Br)n1
BondNum,"Please generate a molecule consisting 17 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",Cc1cccc(C(C)(C)CNC(=O)NC2CCc3nnc(C(C)C)n3C2)c1
FunctionalGroup,There is a molecule composed of and 2 amide groups.,CC(C)C(NC(=O)c1ccncc1)C(=O)NC(C)(C)C
AddComponent,Modify the molecule O=C(Nc1ccc(N2CCOCC2)c2ccncc12)c1cnccn1 by adding a hydroxyl.,O=C(Nc1ccc(N2CCOC(O)C2)c2ccncc12)c1cnccn1
SubComponent,Please substitute a halo in the molecule CCc1nc(C)nc(N2CCN(C(=O)CC(C)(C)C)CC2)c1Cc1ccc(Cl)cc1 with a nitrile.,CCc1nc(C)nc(N2CCN(C(=O)CC(C)(C)C)CC2)c1Cc1ccc(C#N)cc1
DelComponent,Modify the molecule NNc1ccc(CSc2cnccn2)cn1 by removing a amine.,Nc1ccc(CSc2cnccn2)cn1
LogP,Modify the molecule C[NH2+]C1CC2(CCC(C)C2)Oc2ccc(Cl)cc21 to decrease its LogP value.,C[NH2+]C1CC2(CC(C)CC2O)Oc2ccc(Cl)cc21
MR,Modify the molecule CC1CN(C(=O)c2ccc(C#CC[NH3+])c(Cl)c2)C(C)CO1 to have a higher MR value.,CC1CN(C(=O)c2ccc(C#CC[NH3+])c(NO)c2)C(C)CO1
QED,Please modify the molecule CC(C)CC(N[O-])C(CC(N)=O)OP(=O)([O-])[O-] to decrease its QED value.,CC(C)CC(N[O-])C(CC=O)(CC(N)=O)OP(=O)([O-])[O-]
AtomNum,"The molecule contains 5 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=C1C=C2N=CN=C2S(=O)N1
BondNum,"The molecule consists of 10 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",COc1ccc2c(CC([NH3+])C(=O)C(C)(C)C)cc(=O)oc2c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 1 sulfide group.",Cc1ccc(-c2nc(C)sc2CC(=O)NC2CC3CCC2O3)cc1
AddComponent,Modify the molecule Cc1c(NC(=O)CC2CCCC2)nnn1C by adding a hydroxyl.,Cc1c(NC(=O)CC2CCCC2)nnn1CO
SubComponent,Modify the molecule Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1C=O by substituting a halo with a hydroxyl.,Cc1nn(Cc2ccc(O)cc2Cl)c(C)c1C=O
DelComponent,Please remove a amine from the molecule CCC1(C)[NH+]=C(N)OC2=C1CCCC2.,CCC1(C)C2=C(CCCC2)OC1N
LogP,Please optimize the molecule CCCC(CC(=O)[O-])NC(=O)NC(C)c1ccc(Cl)cc1 to have a lower LogP value.,CCCC(CC(=O)[O-])NC(=O)NC(C)c1ccccc1
MR,Modify the molecule CC(CNS(C)(=O)=O)C1CC[NH2+]CC1 to have a lower MR value.,CC(CS(C)(=O)=O)C1CC[NH2+]CC1
QED,Modify the molecule CC([NH3+])C(C)C(=O)Cc1ccc(Cl)s1 to have a lower QED value.,CC([NH3+])C(C)C(=O)Cc1cccs1
AtomNum,"The molecule consists of 21 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",Cc1ccc(NC(=O)CC[NH2+]C2CCN(c3ccc(F)cc3)C2)c(C)c1
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 1 triple bond, 1 rotatable bond, and 10 aromatic bonds.",Cc1nc2c(C(C)(C)C#N)cn(C(=O)OC(C)(C)C)c2cc1Cl
FunctionalGroup,"There is a molecule with 1 amide group, and 1 sulfone group.",O=C(C1=NOC2(CCN(S(=O)(=O)[O-])CC2)C1)N1CC[NH+](Cc2ccc3ccccc3c2)CC1
AddComponent,Add a benzene ring to the molecule O=[N+]([O-])c1ccc(NC2Cc3ccccc3C=[N+]2[O-])c([N+](=O)[O-])c1.,O=[N+]([O-])c1ccc(NC2C(c3ccccc3)c3ccccc3C=[N+]2[O-])c([N+](=O)[O-])c1
SubComponent,Substitute a halo in the molecule O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 with a aldehyde.,CC(=O)C(F)(F)c1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1
DelComponent,Modify the molecule CCCNc1ccc(C(=O)NC(C)C2CCOCC2)cc1 by removing a benzene ring.,CCCNC(=O)NC(C)C1CCOCC1
LogP,Please optimize the molecule O=C(C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)NC1CC1 to have a lower LogP value.,N#Cc1cccc(S(=O)(=O)N2CC[NH+](CC(=O)NC3CC3)CC2)c1Cl
MR,Modify the molecule CCC(CC)C(=O)Nc1ccc(CNC(=O)CNC(=O)OC(C)(C)C)cc1 to decrease its MR value.,CCC(CC)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1
QED,Optimize the molecule Cc1ccc(Cl)c(NCc2cc([N+](=O)[O-])ccc2Cl)c1 to have a lower QED value.,Cc1ccc(NO)c(NCc2cc([N+](=O)[O-])ccc2Cl)c1
AtomNum,"There is a molecule composed of 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 2 chlorine atoms, and 1 bromine atom.",CC(CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C1CC1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C(C)([NH3+])CCSc1ncccc1Br
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 ketone group, and 1 amine group.",CCCCC1CCC(N=C2C=CC(=O)c3c(NC4CCC(CCCC)CC4)ccc(O)c32)CC1
AddComponent,Add a benzene ring to the molecule CC(C)c1ccc(C([NH3+])CNC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1.,CC(C)c1ccc(C([NH3+])C(NC(=O)c2ccc3c(c2)NC(=O)CCS3)c2ccccc2)cc1
SubComponent,Modify the molecule halo by substituting a C=CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc2ccccc2c1 with a aldehyde.,CC(=O)c1cc(OC)c(N(CC=C)S(=O)(=O)c2ccc3ccccc3c2)cc1OC
DelComponent,Remove a CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Br)cc4)cc3n2)cc1 from the molecule halo.,CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4)cc3n2)cc1
LogP,Modify the molecule CCN(c1ccc(CCl)nn1)C1CC1 to have a lower LogP value.,CCN(c1ccc(C)nn1)C1CC1
MR,Modify the molecule CCC1C[NH+](Cc2ccccc2)CCC1C to have a lower MR value.,CCC1C[NH+](C)CCC1C
QED,Please optimize the molecule Cc1nc(CO)c(C)n1C(=O)OC(C)(C)C to have a higher QED value.,Cc1nc(CO)c(C)n1C(=O)OC(C)(C)CN
AtomNum,"There is a molecule consisting of 17 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCOc1ccc2nc(S(=O)Cc3cccn4ccnc34)[nH]c2c1
BondNum,"Please generate a molecule consisting 33 single bonds, 4 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",CC(C)C1=C2C(CCC(=Cc3ccccc3O)c3ccccn3)OB(O)CC2C2C(=O)N(C3CC[NH+](Cc4ccccc4)CC3)C(=O)C2C1
FunctionalGroup,Please generate a molecule composed of and 2 benzene ring groups.,O=CNc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)cc1
AddComponent,Modify the molecule CCCCN(CC)C(=O)CSc1ncnc2c1sc1ccccc12 by adding a hydroxyl.,CCN(CCC(C)O)C(=O)CSc1ncnc2c1sc1ccccc12
SubComponent,Please substitute a halo in the molecule O=C([O-])COc1ccc(F)cc1S(=O)(=O)Cl with a thiol.,O=C([O-])COc1ccc(S)cc1S(=O)(=O)Cl
DelComponent,Remove a halo from the molecule CCc1nn2c(=O)cc(COC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2s1.,CCc1nn2c(=O)cc(COC(=O)c3cccc([N+](=O)[O-])c3)nc2s1
LogP,Modify the molecule CCc1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1 to have a lower LogP value.,CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
MR,Modify the molecule CC(C)N1C(=O)NC2(CCN(C(=O)Cc3ccncc3)CC2)C1=O to have a lower MR value.,CC(C)N1C(=O)NC2(CCC(c3ccncc3)C2)C1=O
QED,Modify the molecule CCc1ccc2[nH]c(C)c(C[NH+]3CCN(CCO)CC3)c(=O)c2c1 to increase its QED value.,CCc1ccc2[nH]c(C)c(C[NH+]3CCN(CC)CC3)c(=O)c2c1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC(C)(C)OC(=O)NCC1CCC(C=CCCO)CC1
BondNum,"There is a molecule composed of 14 single bonds, 1 double bond, 1 triple bond, 6 rotatable bonds, and 24 aromatic bonds.",Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)c2C#N)c(Br)c1
FunctionalGroup,"There is a molecule composed of 1 amide group, 3 halo groups, and 1 sulfide group.",O=C(C1COc2ccccc2O1)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1
AddComponent,Modify the molecule CC(=O)c1cccc(S(=O)(=O)Nc2[nH]ncc2C)c1 by adding a hydroxyl.,Cc1cn[nH]c1NS(=O)(=O)c1cccc(C(=O)CO)c1
SubComponent,Substitute a halo in the molecule Ic1ccc(-n2c3ccc(-c4c5c(c(-c6ccccc6)c6ccccc46)CCCC5)cc3c3cccnc32)cc1 with a nitrile.,N#Cc1ccc(-n2c3ccc(-c4c5c(c(-c6ccccc6)c6ccccc46)CCCC5)cc3c3cccnc32)cc1
DelComponent,Remove a COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(Br)ccc2Cl)c1C from the molecule halo.,COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2Cl)c1C
LogP,Optimize the molecule CCOc1ccc(F)c(CNc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c1 to have a lower LogP value.,CCOc1ccc(NO)c(CNc2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c1
MR,Modify the molecule CCOC(=O)N1CCC(n2nnnc2C[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 to decrease its MR value.,CCOC(=O)N1CCC(n2nnnc2C[NH2+]COC(F)(F)F)CC1
QED,Please modify the molecule Cc1cc(=O)nc(CSc2ccc(F)cc2)[nH]1 to decrease its QED value.,Cc1cc(=O)nc(CSc2ccc(C(=O)[OH])cc2)[nH]1
AtomNum,"The molecule is composed of 20 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CCn1c(SCC(=O)NCCOc2ccccc2)nc2sc(C)c(C)c2c1=O
BondNum,"The molecule is composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(CN(C)c2ncccc2C(N)=S)o1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 nitro group, and 1 halo group.",CC(C(=O)Nc1cc(Cl)ccc1O)n1cc([N+](=O)[O-])cn1
AddComponent,Add a benzene ring to the molecule CCC12CC(OC(C)=O)C[NH+]3CCCC4(c5ccc(OC)cc5N(C)C4C(O)(C(=O)OC)C1)C32.,CCC12CC(O)(C(=O)OC)C3N(C)c4cc(OC)ccc4C34CCC[NH+](CC(OC(C)=O)C1c1ccccc1)C24
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)OC(=O)[N-]S(=O)(=O)N(CCO)c1ccccc1N with a nitrile.,CC(C)OC(=O)[N-]S(=O)(=O)N(CCC#N)c1ccccc1N
DelComponent,Modify the molecule CCC1CNNC1C1CCCN(C(=O)c2cc3c(Cl)cccc3[nH]2)C1 by removing a amine.,CCC1CNC1C1CCCN(C(=O)c2cc3c(Cl)cccc3[nH]2)C1
LogP,Modify the molecule Nc1n[nH]c(-c2ccc(N)c(Cl)c2)n1 to decrease its LogP value.,CC(=O)c1cc(-c2nc(N)n[nH]2)ccc1N
MR,Modify the molecule COc1cc(OC)cc(N2C(=O)CC([NH+]3CCCCCC3)C2=O)c1 to decrease its MR value.,COc1cc(OC)cc(C(=O)C[NH+]2CCCCCC2)c1
QED,Please optimize the molecule CC(C)C(C#N)CNCc1ccc(Cl)s1 to have a lower QED value.,CC(C)C(C#N)CNCc1cccs1
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1cc(C(=O)NC2(C#N)CCC(C)CC2)no1
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 6 rotatable bonds, and 5 aromatic bonds.",CCCC(C(=O)OCC)c1nc(C2(C)CC2)no1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ketone group, 1 ester group, and 5 halo groups.",COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(=C[NH+](C)C)C(=O)C(F)(F)F
AddComponent,Please add a amine to the molecule CCOc1ccc(NC(=O)CC2CSc3nc4c(cnn4-c4ccccc4C)c(=O)n32)cc1.,CCOc1ccc(NC(=O)CC2CSc3nc4c(cnn4-c4c(C)cccc4N)c(=O)n32)cc1
SubComponent,Modify the molecule CCCCc1nc(C(=O)[O-])c(N(C)C(C)=O)n1Cc1ccc(OCc2cccc(C(=O)[O-])c2C(F)(F)F)cc1 by substituting a halo with a nitrile.,CCCCc1nc(C(=O)[O-])c(N(C)C(C)=O)n1Cc1ccc(OCc2cccc(C(=O)[O-])c2C(F)(F)C#N)cc1
DelComponent,Remove a Cn1nccc1C(NN)c1cc2cccc(Br)c2o1 from the molecule halo.,Cn1nccc1C(NN)c1cc2ccccc2o1
LogP,Please modify the molecule CCCc1ccc(OCCCC(N)=O)cc1 to increase its LogP value.,CCCc1ccc(OCC)cc1
MR,Modify the molecule O=C(CC(=O)c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1 to have a higher MR value.,O=C(CC(=O)c1c(O)ccc(Cl)c1O)c1ccc([N+](=O)[O-])cc1
QED,Please modify the molecule O=C(N1CCCC2(CC2)C1)C1(C(F)(F)F)CCCC1 to increase its QED value.,O=C([OH])C(F)(F)C1(C(=O)N2CCCC3(CC3)C2)CCCC1
AtomNum,"The molecule consists of 22 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",COc1ccc(CCCNC(=O)c2cccc(NC(=O)CSc3nncn3C)c2)cc1
BondNum,"The molecule consists of 12 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",Nc1ccc(Br)cc1C(=O)NCCCCC(F)(F)F
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",COc1ccc(O)c(C(=O)NCCc2cnn(C)c2)c1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)cc1NC(=O)c1ccccc1F.,Cc1ccc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2-c2ccccc2)cc1NC(=O)c1ccccc1F
SubComponent,Substitute a CN(Cc1cccc(Br)c1)C(=O)c1cc(N)ccc1Br in the molecule halo with a nitro.,CN(Cc1cccc(NO)c1)C(=O)c1cc(N)ccc1Br
DelComponent,Remove a CCCOc1c(Cl)cc(C=CC(=O)Nc2ccccc2-c2cccs2)cc1OC from the molecule amide.,CCCOc1c(Cl)cc(Cc2ccccc2-c2cccs2)cc1OC
LogP,Modify the molecule O=C(Cc1ccccc1)N(Cc1cccnc1)C1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCC1 to have a lower LogP value.,O=C(Cc1ccccc1)N(Cc1cccnc1)C1(C(=O)NN2CCOCC2)CCCC1
MR,Optimize the molecule Cc1nn(C)c2ncc(C[NH2+]C(CO)CC(C)C)cc12 to have a higher MR value.,Cc1nn(C)c2ncc(C[NH2+]C(CCl)CC(C)C)cc12
QED,Optimize the molecule CC(C)NC(=O)Cn1c(C(C)Cl)nc2cc(Br)c(F)cc21 to have a lower QED value.,CC(Cl)c1nc2cc(Br)c(F)cc2n1C(C)C
AtomNum,"There is a molecule consisting of 20 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",COc1ccc(CSCCOCCOCCOCCc2scnc2C)cc1
BondNum,"Please generate a molecule with 7 single bonds, 1 rotatable bond, and 10 aromatic bonds.",Nc1noc(-c2cc3c(s2)CCC3)c1Br
FunctionalGroup,"There is a molecule consisting of 1 ester group, 1 amide group, and 1 amine group.",CC(C)n1cc(N)cc1C(=O)OC1CCCCNC1=O
AddComponent,Modify the molecule CCCCCCCCCCCCCC(=O)NC(CC[N+](C)(C)CCCNC(=O)NCCC[N+](C)(C)CCC(COC(=O)CC(CCCCCCC)OC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC)COC(=O)CC(CCCCCCC)OC(=O)CCCCCCCCCCC by adding a amine.,CCCCCCCCCCCCCC(=O)NC(CC[N+](C)(C)CCCNC(=O)NCCC[N+](C)(C)CCC(COC(=O)CC(CCCC(N)CCC)OC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC)COC(=O)CC(CCCCCCC)OC(=O)CCCCCCCCCCC
SubComponent,Substitute a Fc1ccc(NCC2CCCO2)c(F)c1F in the molecule halo with a thiol.,Fc1c(S)ccc(NCC2CCCO2)c1F
DelComponent,Remove a benzene ring from the molecule Nc1nc(N)nc(Nc2ccc(Oc3ccccc3)cc2)n1.,Nc1nc(N)nc(Nc2ccc(O)cc2)n1
LogP,Modify the molecule CCC(C)C(NC(=O)C([NH3+])C(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-] to increase its LogP value.,CCC(C)C(NC(=O)C([NH3+])C(C)C)C(=O)NC(Cc1ccc(S)cc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-]
MR,Modify the molecule CC1(C)C(C#N)CCN1c1ccc(C(F)(F)F)cc1 to increase its MR value.,CC1(C)C(C#N)CCN1c1ccc(C(F)(F)C(=O)[OH])cc1
QED,Optimize the molecule NS(=O)(=O)c1ccc(NC2CCCc3sccc32)c(Br)c1 to have a higher QED value.,NS(=O)(=O)c1ccc(NC2CCCc3sccc32)cc1
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC1CCc2nc(C[NH2+]CC3(CCO)CCOC3)sc2C1
BondNum,"The molecule contains 17 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCc1cccc(OCC(=O)N2CCC(NC(=O)Nc3ccc(Br)cc3)CC2)c1
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, and 2 halo groups.",OC1CC2CCC(C1)[NH+]2Cc1cnc(Cl)cc1Cl
AddComponent,Please add a hydroxyl to the molecule CNC(=O)C(C)[NH2+]Cc1cccc(F)c1F.,CNC(=O)C(C)[NH2+]Cc1cc(O)cc(F)c1F
SubComponent,Substitute a halo in the molecule CC(=O)NCC1CN(c2ccc(N3CCCCC3CO)c(F)c2)C(=O)O1 with a thiol.,CC(=O)NCC1CN(c2ccc(N3CCCCC3CO)c(S)c2)C(=O)O1
DelComponent,Please remove a benzene ring from the molecule CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCc1ccccc1)C(=O)c1ncc(-c2ccccc2)o1.,COC(=O)NC(CC(C)C)C(=O)NC(CCc1ccccc1)C(=O)c1ncc(-c2ccccc2)o1
LogP,Modify the molecule CN(C(=O)NCc1ccccc1C[NH+](C)C)C1CCCCCC1 to have a lower LogP value.,CN(C(=O)NCC[NH+](C)C)C1CCCCCC1
MR,Please modify the molecule COc1ncc(I)c2sc(NC(=O)c3ccccc3)nc12 to decrease its MR value.,COc1ncc(I)c2sc(NC=O)nc12
QED,Optimize the molecule Clc1[nH+]cc2ccccn12 to have a lower QED value.,N#Cc1[nH+]cc2ccccn12
AtomNum,"The molecule consists of 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",NOCC[NH+](Cc1ccccc1)Cc1ccccc1
BondNum,"The molecule contains 11 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",CCOc1ccccc1OC(=O)CCc1ccc(C(C)C)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 1 amide group.",CC(C)Cc1ccc(C(=O)N(Cc2cccnc2)c2ccccc2)cc1
AddComponent,Please add a benzene ring to the molecule C[NH2+]C(Cc1cccc(Br)c1)Cc1cccc(F)c1Br.,C[NH2+]C(Cc1cc(Br)ccc1-c1ccccc1)Cc1cccc(F)c1Br
SubComponent,Please substitute a hydroxyl in the molecule Nc1ccccc1C[NH2+]C1CCC(O)CC1 with a aldehyde.,CC(=O)C1CCC([NH2+]Cc2ccccc2N)CC1
DelComponent,Modify the molecule amide by removing a Cc1nc2sc(C(N)=O)c(N)c2c(-c2cccs2)c1C(=O)Nc1ccccc1.,Cc1nc2sc(C(N)=O)c(N)c2c-1(-c1ccccc1)-c1cccs1
LogP,Modify the molecule CN(C)S(=O)(=O)N(CCC[NH+](C)C)C(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1 to decrease its LogP value.,CN(C)S(=O)(=O)N(CCC[NH+](C)C)C(=O)N1CC(c2ccccc2)C(c2ccc(O)cc2)=N1
MR,Please modify the molecule CCC1=CC(CC)=C2N=C=NC2(CC)C1 to increase its MR value.,CCC1=C2N=C=NC2(CC)CC(C(C)O)=C1
QED,Optimize the molecule CC(O)C[NH+](CCOc1ccc([N+](=O)[O-])cc1)C(C)C to have a lower QED value.,CC(O)C[NH+](CCOc1ccc([N+](=O)[O-])c(N)c1)C(C)C
AtomNum,"The molecule consists of 30 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CC(NC(=O)C(=O)NCCc1c[nH]c2ccccc12)C(c1cccs1)[NH+]1CCN(Cc2ccccc2)CC1
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 7 rotatable bonds, and 5 aromatic bonds.",CCCC(CCBr)CNC(=O)c1snnc1C(C)(C)C
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 1 ester group.",C=CCCc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1
AddComponent,Add a amine to the molecule O=C(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)c1ccccn1.,Nc1cc(-c2nc(-c3cccc(NC(=O)c4ccccn4)c3)no2)ccc1F
SubComponent,Please substitute a nitrile in the molecule N#Cc1ccccc1OCCCn1ncccc1=O with a halo.,O=c1cccnn1CCCOc1ccccc1F
DelComponent,Please remove a amide from the molecule O=C([O-])C1CCC(C(=O)NCCC[NH+]2CCc3ccccc3C2)O1.,O=C([O-])C1CC(CCC[NH+]2CCc3ccccc3C2)O1
LogP,Please optimize the molecule CC(N(C)c1ccc(F)cc1N(C(C)(C)C)S(C)(=O)=O)C(C)(C)C to have a lower LogP value.,CC(N(C)c1ccc(C(=O)[OH])cc1N(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
MR,Please optimize the molecule Cc1nc(Nc2ccc(NC(=O)C3CCc4ccccc4O3)cc2)cc(-n2cccn2)n1 to have a higher MR value.,Cc1nc(Nc2ccc(NC(=O)C3(c4ccccc4)CCc4ccccc4O3)cc2)cc(-n2cccn2)n1
QED,Optimize the molecule COc1cccc(CCC(=O)N(CCO)Cc2nc[nH]c2C)c1 to have a lower QED value.,COc1cccc(CCC(=O)N(CCNO)Cc2nc[nH]c2C)c1
AtomNum,"Please generate a molecule consisting 6 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",NC(=O)CCC[NH+]=C(N)[NH+]=C(N)N
BondNum,"The molecule is composed of 12 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1CCN(C(C[NH3+])c2c(F)cccc2Cl)C1
FunctionalGroup,"The molecule has 3 benzene ring groups, 2 amide groups, 2 thioether groups, and 1 sulfide group.",Cc1cccc(NC(=O)CSCC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)c1
AddComponent,Add a carboxyl to the molecule FC(F)(F)c1ccccc1C1CCCC(C(F)(F)F)N1.,O=C(O)C1(c2ccccc2C(F)(F)F)CCCC(C(F)(F)F)N1
SubComponent,Please substitute a halo in the molecule [NH3+]C1CCCCc2cn(CC(F)F)cc21 with a thiol.,[NH3+]C1CCCCc2cn(CC(F)S)cc21
DelComponent,Remove a amide from the molecule CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)Cn2ccccc2=O)c1.,CCN(CC)S(=O)(=O)c1cccc(OC(=O)Cn2ccccc2=O)c1
LogP,Modify the molecule O=C(CC1CCC(NC(=O)NC2CCCC2)C(CO)O1)NCc1ccc(F)cc1 to have a lower LogP value.,O=C(CC1CCC(NC(=O)NC2CCCC2O)C(CO)O1)NCc1ccc(F)cc1
MR,Please modify the molecule CC(NC(=O)C1CCCC1)c1ccc(F)c(F)c1 to increase its MR value.,CC(NC(=O)C1CCCC1)c1ccc(O)c(F)c1
QED,Optimize the molecule CCN(CCO)C(=O)C1CCCC[NH+]1CC to have a higher QED value.,CCN(CC)C(=O)C1CCCC[NH+]1CC
AtomNum,"The molecule contains 9 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",O=c1[nH]c2ccccc2[nH]c(=O)c1=O
BondNum,"The molecule consists of 5 single bonds, 1 rotatable bond, and 6 aromatic bonds.",CN(C)c1cc(Br)ccc1N
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, and 4 halo groups.",CCOc1ccc(C(CC(F)(F)F)NC)cc1Br
AddComponent,Modify the molecule CC(Nc1nc(N2CCOCC2)cc(-n2c(C(F)F)nc3ccccc32)n1)C(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 by adding a benzene ring.,CC(Nc1nc(N2CCOCC2)cc(-n2c(C(F)F)nc3cc(-c4ccccc4)ccc32)n1)C(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1
SubComponent,Modify the molecule nitro by substituting a CC(C)C(OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC(N)=O with a thiol.,CC(C)C(OC(=O)c1ccc([SH]=O)cc1)C(=O)NC(N)=O
DelComponent,Please remove a benzene ring from the molecule CC(OS(C)(=O)=O)c1ccccc1F.,CC(F)OS(C)(=O)=O
LogP,Please modify the molecule CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(S(C)(=O)=O)cc2)o1 to decrease its LogP value.,CN(C)S(=O)(=O)c1ccc(COC(=O)S(C)(=O)=O)o1
MR,Optimize the molecule CCCCCCCCn1ccc(C([NH2+]CC)C2CC2)c1 to have a higher MR value.,CCCCCC(O)CCn1ccc(C([NH2+]CC)C2CC2)c1
QED,Modify the molecule Cc1occc1C(O)c1ccccc1C(F)(F)F to have a lower QED value.,Cc1occc1C(O)c1ccccc1C(F)F
AtomNum,"There is a molecule composed of 28 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",Cc1ccc(C2=CC(c3c(-c4ccccc4)[nH]c4ccc(Cl)cc34)c3c(nc(=O)[nH]c3N)O2)cc1
BondNum,"There is a molecule consisting of 7 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",COc1ccc([Se]C(Br)(Br)Br)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, and 1 halo group.",Cc1ccc(OCC(C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1
AddComponent,Add a amine to the molecule NC(=S)CNc1cccc(Br)c1.,NC(=S)CNc1ccc(N)c(Br)c1
SubComponent,Substitute a halo in the molecule Nc1c(Cl)cc(C(=O)Nc2ccccc2F)cc1Cl with a nitrile.,N#Cc1cc(C(=O)Nc2ccccc2F)cc(Cl)c1N
DelComponent,Please remove a CCNc1cc(C)nc(-c2ccc(SC(F)(F)F)cc2)n1 from the molecule amine.,CCc1cc(C)nc(-c2ccc(SC(F)(F)F)cc2)n1
LogP,Optimize the molecule CCC1OC(=O)C(C)C2OC3(CCN(c4nccs4)CC3)OC(C)(CC(C)C[NH+](C)C(C)C(O)C1(C)O)C(OC1OC(C)CC([NH+](C)C)C1O)C2C to have a higher LogP value.,CCC1OC(=O)C(C)C2OC3(CCN(c4nccs4)CC3)OC(C)(CC(C)C[NH+](C)C(C)C(C#N)C1(C)O)C(OC1OC(C)CC([NH+](C)C)C1O)C2C
MR,Modify the molecule CCCCNC(=S)NC(CC)c1ccccc1 to have a lower MR value.,CCCCNC(=S)NCCC
QED,Please optimize the molecule [NH3+]CCCCc1cccc(Br)c1OCC1CC1 to have a higher QED value.,[NH3+]CCCC(O)c1cccc(Br)c1OCC1CC1
AtomNum,"Please generate a molecule composed of 26 carbon atoms, 8 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 2 fluorine atoms, and 1 phosphorus atom.",CC(C)OC(=O)C(C)NP(=S)(OCC(F)(OC(CF)n1ccc(=O)[nH]c1=O)C(C)O)Oc1ccc2ccccc2c1
BondNum,"There is a molecule consisting of 8 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",COC(=O)C(Cc1ccccc1)[NH2+]Cc1ncc[nH]1
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 sulfide group.",O=C1COC2(CC[NH+](Cc3ccsc3)CC2)CN1
AddComponent,Please add a carboxyl to the molecule COCCOCNC(=O)Nc1ccc(C)cn1.,COCCOCNC(=O)Nc1ncc(C)cc1C(=O)O
SubComponent,Modify the molecule nitrile by substituting a CCOc1cccc(C=C(C#N)c2nc3ccccc3n2C)c1OC with a nitro.,CCOc1cccc(C=C(NO)c2nc3ccccc3n2C)c1OC
DelComponent,Please remove a amine from the molecule CCc1nn(CC)c(CC(NN)c2csc(Br)c2)c1Cl.,CCc1nn(CC)c(CC(N)c2csc(Br)c2)c1Cl
LogP,Modify the molecule CCN(CC)C(=O)CSc1ccc(C(=O)C2CC2)cc1 to decrease its LogP value.,CCN(CC)C(=O)CSc1ccc(C(=O)C2CC2O)cc1
MR,Please optimize the molecule CC(C)CC(=O)N1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 to have a higher MR value.,CC(C)C(O)C(=O)N1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1
QED,Please optimize the molecule CC[NH2+]C(C)c1cc(Br)ccc1N(CC)CC1CCCO1 to have a higher QED value.,CC[NH2+]C(C)c1ccccc1N(CC)CC1CCCO1
AtomNum,"The molecule consists of 18 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCC[NH2+]C(c1ccncc1OC)C1CCCCC1CC
BondNum,"The molecule is composed of 2 single bonds, 2 rotatable bonds, and 55 aromatic bonds.",c1ccc(-n2c3cc(-c4ccc5oc6c7[nH]c8ccccc8c7c7ccccc7c6c5c4)ccc3c3c4ccccc4ccc32)cc1
FunctionalGroup,The molecule consists of and 1 benzene ring group.,COc1cccc(-c2cn[nH]c2C2CC[NH+](Cc3nccn3C)CC2)c1
AddComponent,Modify the molecule c1cncc(C[NH2+]CC2CC[NH+](C3CCCCCC3)C2)c1 by adding a benzene ring.,c1ccc(C([NH2+]CC2CC[NH+](C3CCCCCC3)C2)c2cccnc2)cc1
SubComponent,Substitute a nitrile in the molecule CC(C)c1ccc(NC=C(C#N)C(=O)N(Cc2ccccc2)C(C)C)cc1 with a nitro.,CC(C)c1ccc(NC=C(NO)C(=O)N(Cc2ccccc2)C(C)C)cc1
DelComponent,Please remove a hydroxyl from the molecule COCCOCCNc1ccc(C2=NC(C)(C)CS2)c(O)c1.,COCCOCCNc1ccc(C2=NC(C)(C)CS2)cc1
LogP,Modify the molecule Cc1cc(C)c(-c2nc3c([nH]2)C[NH+](CCF)CC3)cc1C(=O)N1CCC(F)(c2ccc(N)cc2)CC1 to decrease its LogP value.,Cc1cc(C)c(-c2nc3c([nH]2)C[NH+](CCC#N)CC3)cc1C(=O)N1CCC(F)(c2ccc(N)cc2)CC1
MR,Modify the molecule Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1C to decrease its MR value.,Cc1cccc(NCc2cc(O)ccc2OCc2ccc(Cl)cc2)c1C
QED,Modify the molecule C=CCOCc1ccc(-c2ccc(-c3ccc(C=CC)cc3)cc2)cc1 to decrease its QED value.,C=CCOCc1ccc(-c2ccc(-c3ccc(C=CCc4ccccc4)cc3)cc2)cc1
AtomNum,"The molecule contains 18 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CCCN(C(=O)CN1CCC(=O)NC1=O)C1CCCc2cccnc21
BondNum,"Please generate a molecule composed of 13 single bonds, and 2 rotatable bonds.",OC1C[NH+](CC2CCOCC2)C1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 3 halo groups, and 1 sulfone group.",Cc1ccccc1S(=O)(=O)N(CC(F)(F)F)C1CCC(C(=O)N2CC[NH+](C(C)C)CC2)CC1
AddComponent,Modify the molecule COCCn1c([O-])c(C=Nc2ccc3c(C)cc(=O)oc3c2)c(=O)[nH]c1=S by adding a amine.,COCCn1c([O-])c(C=Nc2cc3oc(=O)cc(C)c3cc2N)c(=O)[nH]c1=S
SubComponent,Substitute a Cc1cc(NC(=O)N2CC[NH+](CC(C)O)CC2)nn1C1CCCCC1 in the molecule hydroxyl with a halo.,Cc1cc(NC(=O)N2CC[NH+](CC(C)I)CC2)nn1C1CCCCC1
DelComponent,Please remove a CC(C)CNC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O from the molecule halo.,CC(C)CNC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C(F)F)ccc1Cl)S(C)(=O)=O
LogP,Please modify the molecule Cc1ccc(CCNC(=O)c2csc(=S)[nH]2)cc1 to decrease its LogP value.,CCCNC(=O)c1csc(=S)[nH]1
MR,Please optimize the molecule O=c1cc(C2CC2)[nH]n1Cc1ccccc1Cl to have a higher MR value.,O=c1cc(C2CC2)[nH]n1Cc1ccc(O)cc1Cl
QED,Modify the molecule O=C(Nc1cccc(Cl)c1F)c1cc(Br)sc1Br to decrease its QED value.,Nc1cc(Cl)c(F)c(NC(=O)c2cc(Br)sc2Br)c1
AtomNum,"Please generate a molecule with 45 carbon atoms, and 10 oxygen atoms.",CCCCCCC=CC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCC=CCCCCCCCCCCC
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",COc1ccc(OCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCN(c2ccccc2)C1=O
AddComponent,Modify the molecule CCC#Cc1ccc(OCCCC)cc1OC by adding a amine.,CCC#Cc1ccc(OCCCCN)cc1OC
SubComponent,Modify the molecule halo by substituting a CCN(CC1CC1)c1ncc(Br)cn1 with a thiol.,CCN(CC1CC1)c1ncc(S)cn1
DelComponent,Please remove a halo from the molecule C=C(C)CC(C(=O)[O-])C1c2cc(Cl)ccc2OC2([NH3+])CC[NH2+]CC12.,C=C(C)CC(C(=O)[O-])C1c2ccccc2OC2([NH3+])CC[NH2+]CC12
LogP,Modify the molecule Cc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)sc1Br to have a lower LogP value.,Cc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)sc1O
MR,Optimize the molecule Cc1cc(C[NH+]=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)ccc1F to have a higher MR value.,Cc1cc(C[NH+]=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)ccc1C(=O)[OH]
QED,Modify the molecule O=C(Cc1csc(Nc2ncccn2)n1)Nc1ccc2c(c1)OCO2 to decrease its QED value.,O=C(Nc1ccc2c(c1)OCO2)C(S)c1csc(Nc2ncccn2)n1
AtomNum,"The molecule contains 37 carbon atoms, and 2 nitrogen atoms.",CCCCCCCCCCCCCCCCCn1cc[n+](CCCCCCCCCCC)c1CCCCCC
BondNum,"The molecule has 6 single bonds, 4 rotatable bonds, and 17 aromatic bonds.",CCOc1cc(Oc2cccc3cccnc23)ccc1N
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 sulfone group.",Cc1ccccc1Cc1cc2cnc(S(C)(=O)=O)nc2n(C)c1=O
AddComponent,Add a carboxyl to the molecule CC(C)(C)OC(=O)N1CCC(c2ccc3nccn3c2)CC1.,CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)O)c3nccn3c2)CC1
SubComponent,Please substitute a halo in the molecule CCCC(Br)C(C)[Si](OC)OC with a thiol.,CCCC(S)C(C)[Si](OC)OC
DelComponent,Modify the molecule hydroxyl by removing a COc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1.,COc1ccc(C2C(C(=O)c3ccc(C)o3)=CC(=O)N2Cc2cccnc2)cc1
LogP,Please modify the molecule CCOc1ccc(Cl)c(C([O-])=C2C(=O)C(=O)N(c3ccc(Cl)cc3C)C2c2ccc(C(C)(C)C)cc2)c1 to increase its LogP value.,CCOc1ccc(Cl)c(C([O-])=C2C(=O)C(=O)N(c3ccc(Cl)cc3C)C2c2ccc(C(C)(C)C)c(-c3ccccc3)c2)c1
MR,Modify the molecule CC(=O)Nc1ccc(C=CC2CCN(C(=O)C[NH+]3CCOCC3)CC2)cc1 to decrease its MR value.,CC(=O)NC=CC1CCN(C(=O)C[NH+]2CCOCC2)CC1
QED,Modify the molecule Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N(CCO)CCO to decrease its QED value.,Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N(CCO)CC(O)O
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC[NH2+]C(C)c1ccc(N(CCCO)C(C)C)cc1
BondNum,"There is a molecule composed of 11 single bonds, 4 rotatable bonds, and 9 aromatic bonds.",CC[NH2+]C1CCC(C)(Cc2cn3ccsc3[nH+]2)C1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 1 amine group.",COCCOc1cccc(NCCc2ccc(OC)cc2)c1
AddComponent,Modify the molecule COc1ccccc1NC(=O)c1cnc(Nc2cccc(F)c2)nc1 by adding a hydroxyl.,COc1ccc(O)cc1NC(=O)c1cnc(Nc2cccc(F)c2)nc1
SubComponent,Please substitute a hydroxyl in the molecule CCC1(CO)CCCN(C(=O)c2coc(C3CCCC3)n2)C1 with a aldehyde.,CC(=O)CC1(CC)CCCN(C(=O)c2coc(C3CCCC3)n2)C1
DelComponent,Please remove a Cc1cc(CSc2ccccc2C(=O)NCCC(=O)N2CCCCC2)on1 from the molecule amide.,Cc1cc(CSc2ccccc2C(=O)NCC2CCCC2)on1
LogP,Optimize the molecule O=C(NCCC(O)C(=O)[O-])c1ccc(F)cc1F to have a higher LogP value.,O=C(NCCC(S)C(=O)[O-])c1ccc(F)cc1F
MR,Please modify the molecule COc1ccc(OC)c(-c2csc(=Nc3cccnc3)n2N=Cc2cc(Br)ccc2OC)c1 to decrease its MR value.,COc1ccc(OC)c(-c2csc(=Nc3cccnc3)n2N=Cc2cc(C#N)ccc2OC)c1
QED,Modify the molecule CCOCCCNC(=S)Nc1ccccc1Cl to have a lower QED value.,O=C(O)CCOCCCNC(=S)Nc1ccccc1Cl
AtomNum,"The molecule has 9 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",O=C([O-])c1sc(OC2CCCC2)nc1Cl
BondNum,"Please generate a molecule composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CCOc1cccc(-c2nc(Br)c(C(=O)[O-])s2)c1
FunctionalGroup,"The molecule consists of 2 amine groups, and 1 halo group.",CC1OCCC1Nc1c(F)cc(N)c2cccnc12
AddComponent,Add a benzene ring to the molecule CCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2.,CCN(C)S(=O)(=O)c1ccc2c(c1-c1ccccc1)C(=O)Nc1cc(C)ccc1O2
SubComponent,Substitute a halo in the molecule CCC([NH3+])C(c1ccc(F)cc1)N(CC)CC(=O)N(C)C with a thiol.,CCC([NH3+])C(c1ccc(S)cc1)N(CC)CC(=O)N(C)C
DelComponent,Remove a O=C1CC2(CCN(C(=O)CSCc3cc(=O)n4ccsc4n3)C2)CN1 from the molecule amide.,O=C1CC2(CN1)CC(SCc1cc(=O)n3ccsc3n1)C2
LogP,Modify the molecule CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1ccc(CC)cc1 to have a lower LogP value.,CCOC(=O)c1cc(CC)sc1CCOc1ccc(CC)cc1
MR,Modify the molecule CC1(C(=O)NS(=O)(=O)Cc2cccc(Cl)c2)CCN1C(=O)CCC1CCCC1 to decrease its MR value.,CC1(C(=O)NS(=O)(=O)CCl)CCN1C(=O)CCC1CCCC1
QED,Please modify the molecule CC(=CC[NH+](C)C(C)c1cccs1)C(=O)[O-] to decrease its QED value.,CC(=CC[NH+](C)C(C)(O)c1cccs1)C(=O)[O-]
AtomNum,"The molecule is composed of 13 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CCn1nnc2cc(C(=O)NCCC(O)C(=O)[O-])ccc21
BondNum,"There is a molecule consisting of 12 single bonds, 2 double bonds, 1 triple bond, 7 rotatable bonds, and 18 aromatic bonds.",COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 2 halo groups.",Cc1c(C)c(C)c(C(Br)Cc2cccc(Br)c2)c(C)c1C
AddComponent,Please add a aldehyde to the molecule COC(=O)C1(Nc2cccc(Br)c2)CCSCC1.,COC(=O)C1(Nc2cccc(Br)c2)CCSC(CC=O)C1
SubComponent,Modify the molecule halo by substituting a CN(CC1CCC[NH+]1C)c1nccc(C#N)c1Cl with a thiol.,CN(CC1CCC[NH+]1C)c1nccc(C#N)c1S
DelComponent,Please remove a C#CC=CC1=C(OS(=O)(=O)C(F)(F)F)CCCC1 from the molecule halo.,C#CC=CC1=C(OS(=O)(=O)C(F)F)CCCC1
LogP,Please optimize the molecule CC(C)COc1ccc(C(=O)Oc2ccccc2C(=O)[O-])cc1Br to have a higher LogP value.,CC(C)(COc1ccc(C(=O)Oc2ccccc2C(=O)[O-])cc1Br)c1ccccc1
MR,Modify the molecule CC1CCN(C(=O)c2cc(NC(=O)C[NH+]3CCC(C(=O)N4CCCC4C(=O)Nc4ccc(Cl)c(NC(=O)C5CCCCC5)c4)CC3)ccc2Cl)CC1 to have a higher MR value.,CC1CCN(C(=O)c2cc(NC(=O)C[NH+]3CCC(C(=O)N4C(O)CCC4C(=O)Nc4ccc(Cl)c(NC(=O)C5CCCCC5)c4)CC3)ccc2Cl)CC1
QED,Modify the molecule CCSC1=CC(=O)CC(c2ccccc2)C1C(=O)c1ccc(C)cc1 to have a higher QED value.,CCSC1=CC(=O)CCC1C(=O)c1ccc(C)cc1
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CC(C)(C)c1cc(NC(=O)N2CCCCC2c2ncc[nH]2)no1
BondNum,"There is a molecule with 19 single bonds, 1 double bond, 9 rotatable bonds, and 12 aromatic bonds.",CCNC(NCC(C)(O)c1ccccc1)=[NH+]Cc1ccc(OCC(F)(F)F)c(OC)c1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, 3 halo groups, 1 thioether group, and 1 sulfide group.",Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1
AddComponent,Please add a aldehyde to the molecule O=C(c1ccncn1)N1CCCC2(CC(OCC3CC3)CO2)C1.,O=CCC1(OCC2CC2)COC2(CCCN(C(=O)c3ccncn3)C2)C1
SubComponent,Please substitute a Nc1ccn2c(-c3ccc(F)cc3)nc(Br)c2c1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(-c2nc(Br)c3cc(N)ccn23)cc1
DelComponent,Please remove a Cc1cc(N)c(Cl)cc1Nc1ccccc1C(C)C from the molecule amine.,Cc1cc(N)c(Cl)cc1-c1ccccc1C(C)C
LogP,Optimize the molecule CCCC(=O)N1CCN(C(=O)CCOC)CC1 to have a lower LogP value.,CCCC(=O)N1CCN(C(=O)C(N)COC)CC1
MR,Please modify the molecule CCCCC1[NH2+]C(CCC)N(C2CCOC(C)(C)C2)C1=O to increase its MR value.,CCCCC1[NH2+]C(CCCO)N(C2CCOC(C)(C)C2)C1=O
QED,Modify the molecule CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cn2)CC1 to increase its QED value.,CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cn2)C(c2ccccc2)C1
AtomNum,"There is a molecule composed of 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 fluorine atom.",CCC[NH2+]C(c1cccc(F)c1)C1C[NH+](CC)CCO1
BondNum,"The molecule contains 11 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",COCC(Br)CN(C)C(=O)c1cc(Cl)ccc1I
FunctionalGroup,"Please generate a molecule with 8 benzene ring groups, and 3 amine groups.",Cc1cccc(OP2(Oc3cccc(C)c3)=N[P+](Oc3cccc(C)c3)(Oc3cccc(C)c3)N[P+](Oc3cccc(C)c3)(Oc3cccc(C)c3)N[P+](Oc3cccc(C)c3)(Oc3cccc(C)c3)N2)c1
AddComponent,Modify the molecule COc1cc(OC)cc(C(=O)Nc2c(NCc3ccccc3)c3ccccc3oc2=O)c1 by adding a carboxyl.,COc1cc(OC)cc(C(=O)Nc2c(NCc3ccccc3)c3c(C(=O)O)cccc3oc2=O)c1
SubComponent,Modify the molecule hydroxyl by substituting a CC(=O)Cc1ccc(OCCO)cn1 with a thiol.,CC(=O)Cc1ccc(OCCS)cn1
DelComponent,Please remove a CCc1cc(CC)c(S(=O)(=O)Cl)cc1C#N from the molecule halo.,CCc1cc(CC)c([SH](=O)=O)cc1C#N
LogP,Modify the molecule Cc1c(OCCCCn2c(CC#N)nc3ccccc32)ccc(C(=O)CC(C)C)c1O to have a higher LogP value.,Cc1c(OCCCCn2c(CS)nc3ccccc32)ccc(C(=O)CC(C)C)c1O
MR,Please optimize the molecule FC(F)(F)c1nc(Cl)cc(NCc2cc(Br)cs2)n1 to have a lower MR value.,FC(F)(F)c1nc(Cl)cc(Cc2cc(Br)cs2)n1
QED,Modify the molecule CC(C)(C)NC(=O)n1nc(NCC(=O)N(C2CCC(C#N)CC2)C2C[NH2+]C2)c2cc(C(F)(F)F)ccc21 to increase its QED value.,CC(C)(C)NC(=O)n1nc(CC(=O)N(C2CCC(C#N)CC2)C2C[NH2+]C2)c2cc(C(F)(F)F)ccc21
AtomNum,"The molecule contains 16 carbon atoms, and 3 nitrogen atoms.",CCc1cc(C[NH2+]C)cc(N(C)CC2CCCC2)n1
BondNum,"Please generate a molecule with 16 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",Cc1nc(C[NH+]2CCN(c3cc(C(=O)NC4CC4)c4ccccc4n3)CC2)no1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, and 3 halo groups.",O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(NC(=O)C2CC2)c1
AddComponent,Modify the molecule COC(=O)C1=CC2=NC1=C(C(=O)OCC(C)C)C1=NC(=C(C(=O)OCC(C)C)C3=NC(=C(C(=O)OCC(C)C)C4=NC(=C2)C=C4)C=C3)C=C1 by adding a carboxyl.,COC(=O)C1=CC2=NC1=C(C(=O)OCC(C)C)C1=NC(=C(C(=O)OCC(C)CC(=O)O)C3=NC(=C(C(=O)OCC(C)C)C4=NC(=C2)C=C4)C=C3)C=C1
SubComponent,Substitute a hydroxyl in the molecule CC(C)C1=C2C(CCC(=Cc3ccc(O)cc3)c3ccccc3)OCC2C2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C2C1 with a nitrile.,CC(C)C1=C2C(CCC(=Cc3ccc(C#N)cc3)c3ccccc3)OCC2C2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C2C1
DelComponent,Remove a amine from the molecule C[NH+]=C(NCCCNc1ccccc1)N(C)Cc1csc(C)n1.,Cc1nc(CN(C)C(C)NCCCNc2ccccc2)cs1
LogP,Please modify the molecule CN1CCNc2cc(C=O)cc(Cl)c21 to decrease its LogP value.,CN1CCNc2cc(C=O)cc(C#N)c21
MR,Optimize the molecule CCOCC[NH+](C)Cc1cc(C(C)=O)ccc1O to have a higher MR value.,CCOCC[NH+](C)Cc1cc(C(C)=O)ccc1Br
QED,Please modify the molecule COc1ccc(C(C)N(C)C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1 to decrease its QED value.,COc1ccc(C(C)N(C)C(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)cc1
AtomNum,"The molecule has 21 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(NCCc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCCC2)cc1
BondNum,"Please generate a molecule consisting 12 single bonds, 2 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",CCOCCC(=O)NC(c1ccccc1)C(C)C(=O)[O-]
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",COc1ccc(C(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)cc1OC
AddComponent,Please add a amine to the molecule C[NH+]1CCCC1CC#CC[NH3+].,C[NH+]1CCCC1C(N)C#CC[NH3+]
SubComponent,Substitute a halo in the molecule CN1C(=O)NN=C2COc3cc(-c4ccc(F)cc4)c([As]C4C[NH2+]C4)cc3C21 with a carboxyl.,CN1C(=O)NN=C2COc3cc(-c4ccc(C(=O)[OH])cc4)c([As]C4C[NH2+]C4)cc3C21
DelComponent,Remove a CC(C)(C)OC(=O)C1(O)C(O)(C(=O)OC(C)(C)C)C(O)(C(=O)OC(C)(C)C)C(O)(C(=O)OC(C)(C)C)C(O)(C(=O)OC(C)(C)C)C1(O)C(=O)OC(C)(C)C from the molecule hydroxyl.,CC(C)(C)OC(=O)C1C(O)(C(=O)OC(C)(C)C)C(O)(C(=O)OC(C)(C)C)C(O)(C(=O)OC(C)(C)C)C(O)(C(=O)OC(C)(C)C)C1(O)C(=O)OC(C)(C)C
LogP,Please modify the molecule COC(=O)c1ccc(-c2cc(C3=C(CN4C(=O)OC(c5cc(C)cc(C(F)(F)F)c5)C4C)CC(C)(C)CC3)ccc2F)c(C)c1 to decrease its LogP value.,COC(=O)c1ccc(-c2cccc(C3=C(CN4C(=O)OC(c5cc(C)cc(C(F)(F)F)c5)C4C)CC(C)(C)CC3)c2)c(C)c1
MR,Please modify the molecule NNc1cnc(Cn2ccnc2-c2ccccc2)cn1 to decrease its MR value.,Nc1cnc(Cn2ccnc2-c2ccccc2)cn1
QED,Modify the molecule CCC(CNC(NCc1ccc2c(c1)OCO2)=[NH+]C)c1ccccc1 to have a higher QED value.,CCC(CNC(C)NCc1ccc2c(c1)OCO2)c1ccccc1
AtomNum,"The molecule is composed of 12 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1ncccc1C(=O)NCc1ccco1
BondNum,"The molecule has 20 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
FunctionalGroup,"There is a molecule with 1 ester group, 1 amide group, and 1 sulfide group.",COC(=O)CNC(=O)c1cccc2sccc12
AddComponent,Modify the molecule O=c1ccn(C2OC(COP(O)(=S)OC3C(CO)OC(n4ccc(=O)[nH]c4=O)C3F)C(O)C2O)c(=O)[nH]1 by adding a amine.,Nc1cn(C2OC(COP(O)(=S)OC3C(CO)OC(n4ccc(=O)[nH]c4=O)C3F)C(O)C2O)c(=O)[nH]c1=O
SubComponent,Please substitute a halo in the molecule CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2ccccc2o1 with a thiol.,CCN(CC(=O)Nc1ccccc1C(F)(F)S)C(=O)c1cc2ccccc2o1
DelComponent,Please remove a halo from the molecule Cc1cc(F)ccc1NC(=O)c1cccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC4CCCCC4)c3C)CC2)c1.,Cc1ccccc1NC(=O)c1cccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC4CCCCC4)c3C)CC2)c1
LogP,Modify the molecule CC(C)CC(=O)N1CC2CC3C(C1)(CN(Cc1ccc(Cl)cc1)S3(=O)=O)O2 to decrease its LogP value.,CC(C)CC(=O)N1CC2CC3C(C1)(CN(Cc1ccccc1)S3(=O)=O)O2
MR,Modify the molecule CON(C)C(=O)CCc1ccccc1O to increase its MR value.,CON(C)C(=O)CCc1ccccc1S
QED,Modify the molecule CCCC(C)C1(O)CCCC1S(C)(=O)=O to decrease its QED value.,CCCC(C)C1CCCC1S(C)(=O)=O
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",O=C(CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)NC1CC1
BondNum,"There is a molecule composed of 10 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC1=CCN(c2cc(C(C)O)ccn2)CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 amine groups.",Cc1ncc(N2CC[NH+](C)CC2)cc1NC1(c2ccccc2)N=NC=[NH+]1
AddComponent,Modify the molecule CCCCCCCCCCC(NC(=O)OCc1ccccc1)C(=O)OC by adding a benzene ring.,CCCCCCCCCCC(NC(=O)OCc1ccccc1-c1ccccc1)C(=O)OC
SubComponent,Modify the molecule hydroxyl by substituting a C=CCn1ncc(NCCC(O)COC)c(Br)c1=O with a aldehyde.,CC(=O)C(CCNc1cnn(CC=C)c(=O)c1Br)COC
DelComponent,Remove a halo from the molecule [NH3+]CC(=O)NCC[NH+]1CCC(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.,[NH3+]CC(=O)NCC[NH+]1CCC(CCCN2c3ccccc3Sc3ccc(C(F)F)cc32)CC1
LogP,Modify the molecule FC(F)(F)c1cc[nH]c(=S)c1Br to decrease its LogP value.,FC(F)c1cc[nH]c(=S)c1Br
MR,Modify the molecule N#CC1(C(=O)NCC2CCSC2)CCC1 to increase its MR value.,N#CC1(C(=O)NCC2CSC(O)C2)CCC1
QED,Optimize the molecule [NH3+]C(Cc1ccc(F)cc1)c1cc2c(s1)CCCCC2 to have a higher QED value.,N#Cc1ccc(CC([NH3+])c2cc3c(s2)CCCCC3)cc1
AtomNum,"The molecule consists of 58 carbon atoms, and 3 nitrogen atoms.",c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc5ccc2c3c54)cc1
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",Cc1cc(S(=O)(=O)NCCC[NH+]2CCCC2)cc(N)c1F
FunctionalGroup,"The molecule has 1 benzene ring group, and 3 amide groups.",CCc1ccc(C(=O)NNC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)cc1
AddComponent,Please add a benzene ring to the molecule O=C1C(Sc2ccccc2)=C(c2ccccc2)C(=O)N1c1ccccc1Cl.,O=C1C(Sc2ccccc2)=C(c2ccccc2)C(=O)N1c1cc(-c2ccccc2)ccc1Cl
SubComponent,Substitute a halo in the molecule CC(=NNC(=O)c1ccc(C(=O)NCCc2ccncc2)s1)C1=CSC(c2ccc(C(F)(F)F)cc2)C1=O with a thiol.,CC(=NNC(=O)c1ccc(C(=O)NCCc2ccncc2)s1)C1=CSC(c2ccc(C(F)(F)S)cc2)C1=O
DelComponent,Remove a halo from the molecule Cc1c(F)cc(Cl)cc1C(=O)ON.,Cc1ccc(Cl)cc1C(=O)ON
LogP,Optimize the molecule CC(C)C=NN1CCCSC1=[NH2+] to have a lower LogP value.,CC(C=NN1CCCSC1=[NH2+])CO
MR,Modify the molecule Cc1cccc(C(C[NH3+])N(C)C2CCC(C)CC2)c1 to increase its MR value.,Cc1cccc(C(C[NH3+])N(C)C2CCC(C)CC2)c1O
QED,Modify the molecule COc1ccc(C(=O)N2CC[NH+](C)C(C)(C)C2)cc1N to have a lower QED value.,CONC(=O)N1CC[NH+](C)C(C)(C)C1
AtomNum,"The molecule consists of 10 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",O=C1C=C(c2ccccn2)N=CC1
BondNum,"The molecule has 16 single bonds, 1 double bond, 7 rotatable bonds, and 16 aromatic bonds.",COc1ccc(-n2nc(-c3cccn3C)cc2C(=O)NCC[NH+]2CCOCC2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amine groups, and 3 halo groups.",Nc1ccc2nc(Nc3ccc(Oc4ncccc4C(F)(F)F)cc3)[nH]c2c1
AddComponent,Modify the molecule CC(OC(=O)c1cnn(Cc2ccccc2)c1)C(=O)Nc1ccc(C(N)=O)cc1 by adding a benzene ring.,CC(OC(=O)c1cnn(Cc2ccccc2)c1)C(=O)Nc1ccc(C(N)=O)cc1-c1ccccc1
SubComponent,Please substitute a halo in the molecule CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Nc1cnc3ccccc3c1)C2c1ccccc1F with a nitro.,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Nc1cnc3ccccc3c1)C2c1ccccc1NO
DelComponent,Modify the molecule amine by removing a C#CCONC(C)C(C)NC(=O)OC(C)(C)C.,C#CCOC(C)C(C)NC(=O)OC(C)(C)C
LogP,Optimize the molecule NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)NC(=O)c3ccccc3)cc2)cc1 to have a lower LogP value.,NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)C(=Cc3ccc([SH]=O)cc3)NC(=O)c3ccccc3)cc2)cc1
MR,Modify the molecule CC(C)(C)[Si](C)(C)OCCCCCC[SiH2]c1ccccc1 to decrease its MR value.,CC(C)(C)[Si](C)(C)OCCCCCC[SiH2]
QED,Please modify the molecule Fc1ccc(CN2CCC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1 to decrease its QED value.,Sc1ccc(CN2CCC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",N#Cc1cccc(C2C3=C(COCC3=O)NC3=C2C(=O)COC3)c1
BondNum,"The molecule is composed of 18 single bonds, 2 double bonds, and 4 rotatable bonds.",CS(=O)(=O)N1CCCC(CC([NH3+])C2CSCCO2)C1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 4 hydroxyl groups, 1 amine group, 3 sulfide groups, and 1 sulfoxide group.",COc1cc(SOOCCS(=O)OOO)c(OC)cc1N=Nc1c(SOOO)cc2c(N=Nc3ccc(C)cc3SOOO)c(N)ccc2c1O
AddComponent,Please add a benzene ring to the molecule CC(Nc1cccc(Cl)c1N(C)C)c1cccc(F)c1F.,CN(C)c1c(Cl)cccc1NC(C)(c1ccccc1)c1cccc(F)c1F
SubComponent,Substitute a hydroxyl in the molecule CCC(CC)n1nccc1C(=O)N1CC[NH+](CCO)CC1 with a thiol.,CCC(CC)n1nccc1C(=O)N1CC[NH+](CCS)CC1
DelComponent,Remove a Nc1nonc1C(=O)NC1(CO)CCCC1 from the molecule amide.,Nc1non-1C1(CO)CCCC1
LogP,Modify the molecule CC1CCCCC1NC(=O)c1cnc2ccccc2c1C(F)(F)F to have a lower LogP value.,CC1CCCCC1NC(=O)c1cnc2ccccc2c1C(F)F
MR,Modify the molecule CNC(=O)c1csc2cc(-c3ccc(NCC(C)(C)c4ncccc4Cl)nn3)cn12 to decrease its MR value.,CNC(=O)c1csc2cc(-c3ccc(CC(C)(C)c4ncccc4Cl)nn3)cn12
QED,Optimize the molecule CC(C)(C)S(=O)(=O)CCNc1cc(Cl)ccc1F to have a lower QED value.,CC(C)(C)S(=O)(=O)CCNc1cc(C(=O)[OH])ccc1F
AtomNum,"The molecule contains 14 carbon atoms, and 2 nitrogen atoms.",CCCC(C[NH3+])C[NH+]1CCC(CC)(CC)C1
BondNum,"Please generate a molecule composed of 12 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(CN(C)C(=O)c2cc(C(=O)NC3CC3)c[nH]c2=O)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 halo group, and 1 sulfone group.",CCN(C(=O)NC)[n+]1ccc(S(=O)(=O)Oc2cc(C)cc(Br)c2)cc1
AddComponent,Modify the molecule C=COCOCCOC(=O)c1cc(OCOCCOC(=O)C=C)cc(C(=O)OCCOCOC=C)c1 by adding a hydroxyl.,C=COCOCCOC(=O)c1cc(OC(O)OCCOC(=O)C=C)cc(C(=O)OCCOCOC=C)c1
SubComponent,Substitute a halo in the molecule CCOc1ccc(NC(=O)C(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccccc2)cc1 with a nitro.,CCOc1ccc(NC(=O)C(Sc2ccc(NC(=O)c3ccc(NO)cc3)cc2)c2ccccc2)cc1
DelComponent,Remove a benzene ring from the molecule Cc1cccc(OCCn2c(CCC(=O)[O-])ccc2-c2ccccc2)c1.,COCCn1c(CCC(=O)[O-])ccc1-c1ccccc1
LogP,Please optimize the molecule Cc1ccc(Cn2c(CO)c[nH+]c2SCc2ccc(C(F)(F)F)cc2)cc1 to have a higher LogP value.,Cc1ccc(Cn2c(CO)c[nH+]c2SCc2ccc(C(F)(F)F)cc2)c(-c2ccccc2)c1
MR,Modify the molecule CC(C)C=NNc1cncnc1 to increase its MR value.,CC(C=NNc1cncnc1)CO
QED,Modify the molecule CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C)C(=O)NC2CCCCC2)cc(N2CCCCC2=O)c1 to decrease its QED value.,CCNc1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C)C(=O)NC2CCCC(O)C2)cc(N2CCCCC2=O)c1
AtomNum,"The molecule is composed of 23 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CSc1ncccc1C(=O)N1CCC(c2nc(C(F)(F)F)ncc2-c2ccccc2)CC1
BondNum,"The molecule has 16 single bonds, and 6 rotatable bonds.",CC(C)OCCC[NH2+]C1CC[NH+](C)C(C)C1
FunctionalGroup,The molecule is composed of and 1 hydroxyl group.,CC(C)n1ccnc(N(CCO)C2CCC2)c1=O
AddComponent,Please add a benzene ring to the molecule COCCCn1c(C2CCCN(C(=O)CC([NH3+])Cc3ccc(NC(=O)C4CCCCO4)cc3)C2)c(C)c2ccccc21.,COC(CCn1c(C2CCCN(C(=O)CC([NH3+])Cc3ccc(NC(=O)C4CCCCO4)cc3)C2)c(C)c2ccccc21)c1ccccc1
SubComponent,Please substitute a nitrile in the molecule CSc1ccc(CC#N)c(CCC=O)c1 with a nitro.,CSc1ccc(CNO)c(CCC=O)c1
DelComponent,Modify the molecule O=C(c1ccc(Cl)cc1F)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 by removing a amide.,O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(c2(F)cc(Cl)cc-2)C1
LogP,Modify the molecule O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCC[NH+]1CCc2sccc2C1 to have a higher LogP value.,O=S(=O)(NC1CC1)c1ccc(CCC[NH+]2CCc3sccc3C2)cc1
MR,Modify the molecule C=C(OCCCC)c1ccc(-c2ccc(C(C)(c3ccc(OCc4ncccn4)cn3)C(C)C)cc2)nn1 to have a higher MR value.,C=C(OCCCCc1ccccc1)c1ccc(-c2ccc(C(C)(c3ccc(OCc4ncccn4)cn3)C(C)C)cc2)nn1
QED,Please optimize the molecule CC(=O)N(CC(=O)Nc1ccccc1C(C)C)C1CCS(=O)(=O)C1 to have a lower QED value.,CC(=O)N(CC(=O)Nc1ccccc1C(C)C)C1CS(=O)(=O)CC1N
AtomNum,"The molecule contains 11 carbon atoms, and 2 nitrogen atoms.",CCCCCN1CCCC(C)([NH3+])C1
BondNum,"There is a molecule consisting of 12 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",CC1CCC(C)N(c2nnc(C(C)[NH3+])o2)C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, 5 halo groups, and 1 sulfone group.",Cc1cc(S(=O)(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c(Cl)cc1Cl
AddComponent,Add a hydroxyl to the molecule COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1Br.,COc1ccc(S(=O)(=O)NCC(O)c2ccc(OC)c(OC)c2)cc1Br
SubComponent,Please substitute a C=CCC(C(=O)OCCCCCC)C(C)O in the molecule hydroxyl with a carboxyl.,C=CCC(C(=O)OCCCCCC)C(C)C(=O)[OH]
DelComponent,Please remove a halo from the molecule CC(C)C(Br)C(=O)NC1CCC(C(F)(F)F)CC1.,CC(C)C(Br)C(=O)NC1CCC(C(F)F)CC1
LogP,Please modify the molecule CCN1C(c2ccccc2)CS1(=O)=O to decrease its LogP value.,CCN1CCS1(=O)=O
MR,Modify the molecule CC1(C)CC2CC(C)(CN2S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(Cl)s4)o3)cc2)C1 to have a lower MR value.,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(O)s4)o3)cc2)C1
QED,Modify the molecule Cc1ccc(C(=O)NC2CCCC(O)C2)c(F)c1 to decrease its QED value.,Cc1ccc(C(=O)NC2CCCC(O)C2)c(NO)c1
AtomNum,"The molecule contains 12 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",COC(=O)CN(CC(=O)OC)c1ncnc2c1cnn2C
BondNum,"There is a molecule composed of 10 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC(C=NNC(=O)c1ccc(F)cc1)=Cc1ccc(C(C)C)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 amine group, and 1 halo group.",CCCC(O)CNC(=O)c1cc(N)ccc1Cl
AddComponent,Add a carboxyl to the molecule FC(F)Sc1cccc(C2CCC[NH2+]C2)c1.,O=C(O)c1ccc(SC(F)F)cc1C1CCC[NH2+]C1
SubComponent,Please substitute a CC(C=CC(C)(C)C)=CC(=C(C)O)C(C)(C)C in the molecule hydroxyl with a halo.,CC(C=CC(C)(C)C)=CC(=C(C)F)C(C)(C)C
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(-c2nnc(SCC(=O)NC(N)=O)n2N)cc1.,Cc1nnc(SCC(=O)NC(N)=O)n1N
LogP,Please optimize the molecule CCCCCCCCC[NH2+]C(C)CC(C)O to have a higher LogP value.,CC(O)CC(C)[NH2+]CCCCCCCC(C)c1ccccc1
MR,Optimize the molecule CC(=O)CCC(C)O[Si](C)(C)C to have a higher MR value.,CC(=O)CC(O)C(C)O[Si](C)(C)C
QED,Please modify the molecule CCNC(NC1CCC(=O)NC1)=[NH+]Cc1ccc(F)c(C[NH+](C)C)c1 to decrease its QED value.,CCNC(NC1CCC(=O)NC1)=[NH+]Cc1ccc(NO)c(C[NH+](C)C)c1
AtomNum,"There is a molecule with 8 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 1 chlorine atom.",O=C(Cn1cncn1)Nc1nccc(Cl)n1
BondNum,"The molecule consists of 24 single bonds, 2 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CC(C(=O)NC(=O)NC1CCCCC1)[NH+]1CCCC(c2nncn2C2CC2)C1
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 1 thioether group, and 1 sulfide group.",CCCSc1ncc(O)cn1
AddComponent,Modify the molecule CC[NH2+]C(CC)c1ccccc1OCc1ccccc1 by adding a benzene ring.,CC[NH2+]C(CC)c1ccccc1OCc1ccccc1-c1ccccc1
SubComponent,Please substitute a Cc1cc(F)ccc1C(=O)N(C)CC1CC[NH2+]CC1 in the molecule halo with a carboxyl.,Cc1cc(C(=O)[OH])ccc1C(=O)N(C)CC1CC[NH2+]CC1
DelComponent,Please remove a CC(C)(c1ccccc1)N1C(=O)c2c(I)cc(C=O)cc2C1O from the molecule amide.,CC(C)(c1ccccc1)c1(I)cc(C=O)cc-1CO
LogP,Optimize the molecule CCOc1c(Br)cc(C=C(C#N)C(N)=S)cc1OC to have a lower LogP value.,COc1cc(C=C(C#N)C(N)=S)cc(Br)c1OC(C)C#N
MR,Please optimize the molecule CC1(C)OB(c2cc(CBr)ccc2F)OC1(C)C to have a higher MR value.,CC1(C)OB(c2cc(CBr)ccc2F)OC1(C)Cc1ccccc1
QED,Please modify the molecule OC1OC2OC3(O)C(Cl)C4(Cl)C1C2C3(Cl)C4(Cl)Cl to increase its QED value.,OC1OC2OC3C(Cl)C4(Cl)C1C2C3(Cl)C4(Cl)Cl
AtomNum,"The molecule is composed of 23 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",O=C([O-])CCCCCCCn1cc(-c2ccccc2)n(-c2ccc(F)cc2)c1=O
BondNum,"The molecule is composed of 14 single bonds, 1 triple bond, 3 rotatable bonds, and 5 aromatic bonds.",Cc1cc(C)n(C2CCCC(C#N)(NC(C)C)C2)n1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amide group.",CCCOCC(=O)N(CCC[NH3+])c1ccccc1C
AddComponent,Please add a benzene ring to the molecule CC(C[NH3+])(NC(=O)c1cc(-n2cccn2)ccn1)C1CC1.,CC(C[NH3+])(NC(=O)c1nccc(-n2cccn2)c1-c1ccccc1)C1CC1
SubComponent,Substitute a CCn1c(O)c(N=NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)c2ccccc21 in the molecule hydroxyl with a aldehyde.,CC(=O)c1c(N=NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)c2ccccc2n1CC
DelComponent,Remove a benzene ring from the molecule [NH3+]Cc1ccccc1OCCC[NH+]1CCSCC1.,[NH3+]COCCC[NH+]1CCSCC1
LogP,Optimize the molecule CSCCC([NH2+]Cc1cccc2c(NCC([NH3+])CS)cccc12)C(=O)[O-] to have a higher LogP value.,CSCCC([NH2+]Cc1cccc2c(CC([NH3+])CS)cccc12)C(=O)[O-]
MR,Modify the molecule CCNC(NCCCc1c[nH]c2ccccc12)=[NH+]Cc1ccc(C(=O)N(C)C)cc1 to have a lower MR value.,CCNC(NCCCc1c[nH]c2ccccc12)=[NH+]CC(=O)N(C)C
QED,Please optimize the molecule O=C1CC(c2ccccc2F)Oc2cc(Br)ccc21 to have a higher QED value.,N#Cc1ccccc1C1CC(=O)c2ccc(Br)cc2O1
AtomNum,"Please generate a molecule with 16 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",Cc1nc(N)sc1C(=O)N1C2C[NH2+]C3CCCCC1C3(C)C2
BondNum,"The molecule contains 23 single bonds, 2 double bonds, and 13 rotatable bonds.",CCC(C)(CNC(=O)C(S)C[NH3+])COCC(C)(C)COC(=O)C(S)C[NH3+]
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 amine groups.",CCNc1ccc(CNc2ncnc3cc4c(cc23)[nH]c(=O)n4CC)cc1
AddComponent,Add a carboxyl to the molecule CCC1CCCN(C(=O)NC2CCC(=O)NC2C2CCCO2)CC1.,CCC1CCCN(C(=O)NC2CCC(=O)NC2C2(C(=O)O)CCCO2)CC1
SubComponent,Please substitute a CCC(C)CC(C)[NH2+]C(C)C(C)O in the molecule hydroxyl with a thiol.,CCC(C)CC(C)[NH2+]C(C)C(C)S
DelComponent,Remove a amide from the molecule O=C(NC1CC1)C1COCCN1C(=O)c1cccnc1F.,O=C(NC1CC1)C12cccnc1(F)CCOC2
LogP,Modify the molecule COCCOCCOCCOc1ccc(C2=NC(C)(C(=O)OC)CS2)c(O)c1 to have a higher LogP value.,COCCOCCOCCOc1ccc(C2=NC(C)(C(=O)OC)CS2)c(NO)c1
MR,Please optimize the molecule CNc1ncc(Cl)c(N(CCC#N)C(C)C)n1 to have a lower MR value.,CCN(c1nc(NC)ncc1Cl)C(C)C
QED,Modify the molecule Cn1cc(C(O)c2cc(F)c(C(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)cn1 to decrease its QED value.,Cn1cc(Cc2cc(F)c(C(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)cn1
AtomNum,"There is a molecule with 8 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(C)(C)c1nnc2n1NCCS2
BondNum,"Please generate a molecule composed of 17 single bonds, 1 double bond, 8 rotatable bonds, and 12 aromatic bonds.",CC[NH+](CC)C(C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 halo group.",CC[NH2+]C(Cc1ccc(OC)c(F)c1)C1(C)CCCO1
AddComponent,Please add a amine to the molecule CCCCOc1c(F)cc(C[NH2+]C(C)(C)C)cc1F.,CCC(N)COc1c(F)cc(C[NH2+]C(C)(C)C)cc1F
SubComponent,Substitute a O=C([O-])C1(c2ccc(-n3nccc3Br)cc2)CCCCC1 in the molecule halo with a nitrile.,N#Cc1ccnn1-c1ccc(C2(C(=O)[O-])CCCCC2)cc1
DelComponent,Please remove a amine from the molecule CC12CC(NC(=S)N1c1ccccc1Cl)c1ccccc1O2.,CC12CC(C(=S)N1c1ccccc1Cl)c1ccccc1O2
LogP,Modify the molecule O=C(NCC(O)C(F)(F)F)c1cn(-c2ccccc2)nn1 to increase its LogP value.,O=C(NCC(O)C(F)(F)F)c1nnn(-c2ccccc2)c1-c1ccccc1
MR,Please modify the molecule Cc1ccc(C=CC(=O)OCC(=O)NCCSc2ccccc2)cc1 to decrease its MR value.,CC=CC(=O)OCC(=O)NCCSc1ccccc1
QED,Modify the molecule Cn1cc[nH+]c1CCC1(O)CCCc2ccccc21 to decrease its QED value.,Cn1cc[nH+]c1CCC1(C#N)CCCc2ccccc21
AtomNum,"The molecule contains 17 carbon atoms, and 5 oxygen atoms.",CC=C1CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
BondNum,"The molecule consists of 16 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",CSc1nnc(CCCNC(=O)Nc2ccc(Cl)cc2)n1C1CCCC1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 ester groups, and 2 halo groups.",COC(=O)c1ccc(C=C2N=C(c3cccc(OC(F)F)c3)OC2=O)cc1
AddComponent,Please add a benzene ring to the molecule Cc1cc(OCc2cccc(C(=O)[O-])n2)cc(C(C)C)c1.,Cc1cc(OCc2cc(-c3ccccc3)cc(C(=O)[O-])n2)cc(C(C)C)c1
SubComponent,Substitute a nitrile in the molecule C=C(NNC(=O)CC#N)c1ccco1 with a hydroxyl.,C=C(NNC(=O)CO)c1ccco1
DelComponent,Modify the molecule amide by removing a Cn1ncc(C=CC(=O)Nc2ccc(C[P+]3(O)OCCCO3)cc2)c1-c1ccc(F)cc1.,Cn1ncc(Cc2ccc(C[P+]3(O)OCCCO3)cc2)c1-c1ccc(F)cc1
LogP,Please optimize the molecule CCCC([NH2+]Cc1ccccc1)c1c[nH+]c(N)[nH]1 to have a higher LogP value.,CCCC([NH2+]Cc1ccccc1)c1c[nH+]c[nH]1
MR,Please optimize the molecule CCCC(C)NC(=O)CSc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 to have a lower MR value.,CCCC(C)NC(=O)CSc1nnc(-c2ccc(C)cc2)c(C)n1
QED,Optimize the molecule CCCCNC(=O)c1sc2ncnc(N3CCN(c4ccccn4)CC3)c2c1C to have a higher QED value.,CCCCc1(C)c2c(N3CCN(c4ccccn4)CC3)ncnc2s-1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCCc1ccc(NC(=S)N2CCC(C)CC2)cc1
BondNum,"Please generate a molecule consisting 12 single bonds, 3 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",O=C(NC(Cc1ccccc1)C(O)C(=O)[O-])c1ccnc(-c2ccccc2C(=O)[O-])c1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 1 nitro group, and 1 halo group.",CC(c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cnn(Cc2ccccc2Cl)c1
AddComponent,Modify the molecule O=C(NC(C[NH+]1CCCC1)C(O)c1ccc2c(c1)OCCO2)C1CCN(c2cccc(Oc3ccc(Cl)cc3)n2)C1 by adding a benzene ring.,O=C(NC(C(O)c1ccc2c(c1)OCCO2)C(c1ccccc1)[NH+]1CCCC1)C1CCN(c2cccc(Oc3ccc(Cl)cc3)n2)C1
SubComponent,Modify the molecule OB(O)c1occ2c1OCCO2 by substituting a hydroxyl with a halo.,OB(I)c1occ2c1OCCO2
DelComponent,Modify the molecule halo by removing a Oc1c(F)cc(F)cc1CS.,Oc1ccc(F)cc1CS
LogP,Please modify the molecule CC1(P(=O)(OCC2OC(n3cnc4c(=O)nc(N)[nH]c43)C(O)C2O)OP(=O)([O-])[O-])OC(O)C(F)C(O)C1O to increase its LogP value.,CC1(P(=O)(OCC2OC(n3cnc4c(=O)nc(N)[nH]c43)C(O)C2O)OP(=O)([O-])[O-])OC(O)C(F)CC1O
MR,Please optimize the molecule COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC)cc2)cc1 to have a lower MR value.,COC(=O)NC(=S)NNC(=O)COc1ccc(OC)cc1
QED,Please modify the molecule Cc1ccc(NC(=O)CSc2nccn2C)c(Cl)c1 to decrease its QED value.,Cc1ccc(NC(=O)CSc2nccn2C)c(O)c1
AtomNum,"The molecule is composed of 34 carbon atoms, 4 oxygen atoms, and 1 fluorine atom.",CCOC(=O)CC(c1cccc(COc2ccc(-c3cc(OC)ccc3F)cc2CCC(C)(C)C)c1)C1CC1
BondNum,"The molecule contains 12 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)CCN(CCC(C)C)c1ccc(Cl)nn1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, and 1 sulfone group.",C#CCn1cc(CN(C)S(=O)(=O)c2ccc(N)cc2)cn1
AddComponent,Modify the molecule Cc1ccc(S(=O)(=O)c2ccc(C)cc2-c2ccc(O)c(O)c2)c(-c2ccc(O)c(O)c2)c1 by adding a hydroxyl.,Cc1ccc(S(=O)(=O)c2ccc(C)cc2-c2cc(O)c(O)c(O)c2)c(-c2ccc(O)c(O)c2)c1
SubComponent,Modify the molecule CCNc1c(NC(=O)Cc2ccc(F)cc2)c(=O)oc2ccccc12 by substituting a halo with a thiol.,CCNc1c(NC(=O)Cc2ccc(S)cc2)c(=O)oc2ccccc12
DelComponent,Please remove a amine from the molecule Nc1cccc2c1N(Cc1ccc(Br)cc1Cl)CC2.,Clc1cc(Br)ccc1CN1CCc2ccccc21
LogP,Please modify the molecule CO[Si](CCCSCCCCCCCCCCC(=O)C(F)(F)F)(O[SiH3])O[SiH3] to decrease its LogP value.,CO[Si](CCCSCCCCCCCCCCC(=O)C(F)F)(O[SiH3])O[SiH3]
MR,Optimize the molecule Cc1ccc(NC(=O)C2CCC(C)O2)cc1C#CCCO to have a higher MR value.,Cc1ccc(NC(=O)C2CCC(C)O2)cc1C#CCCC(=O)[OH]
QED,Please optimize the molecule CC(C)C([NH2+]C1CCS(=O)(=O)CC1)c1ccc(F)cc1 to have a lower QED value.,CC(CN)C([NH2+]C1CCS(=O)(=O)CC1)c1ccc(F)cc1
AtomNum,"There is a molecule composed of 38 carbon atoms, and 3 nitrogen atoms.",C(=NCc1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1)c1ccccc1
BondNum,"There is a molecule consisting of 13 single bonds, 3 double bonds, 7 rotatable bonds, and 22 aromatic bonds.",O=C(NCCO)c1cccc(-c2cccc3oc(Cc4cccc(S(=O)(=O)C(F)(F)F)c4)cc23)c1
FunctionalGroup,"The molecule consists of 1 thioether group, and 2 sulfide groups.",COCn1cc(-c2cc(C)nc(SC)n2)sc1=Nc1ccccn1
AddComponent,Please add a hydroxyl to the molecule CCOC(=O)C1CCc2sc(-c3c(F)cccc3Br)nc21.,O=C(OCCO)C1CCc2sc(-c3c(F)cccc3Br)nc21
SubComponent,Substitute a halo in the molecule CCc1ccc(CC(C)(O)Cc2ccccc2F)cc1 with a nitro.,CCc1ccc(CC(C)(O)Cc2ccccc2NO)cc1
DelComponent,Remove a halo from the molecule CSc1ccccc1NS(=O)(=O)c1c(F)cccc1F.,CSc1ccccc1NS(=O)(=O)c1ccccc1F
LogP,Please modify the molecule CCCC(Br)c1ccc2c(c1)CC(=O)N2 to increase its LogP value.,CCCC(Br)c1ccccc1
MR,Please modify the molecule O=C(Cn1cnc([N+](=O)[O-])n1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 to decrease its MR value.,O=C(c1ccccc1)c1c(-n2cnc([N+](=O)[O-])n2)sc2c1CCCC2
QED,Modify the molecule O=C([O-])C=Cc1cc(Br)c(OC2CCCCCC2)c(Br)c1 to have a higher QED value.,O=C([O-])C=Cc1cc(Br)c(OC2CCCCCC2)c(C(=O)[OH])c1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",COCC[NH2+]CC(=O)NC(c1ccc(Cl)cc1)C(C)C
BondNum,"The molecule has 11 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCOc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1F
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, 2 amide groups, and 1 halo group.",NC(=O)C1CC(O)CN1C(=O)CCBr
AddComponent,Please add a amine to the molecule COCC(=O)N1CCC(N)([NH3+])C1.,COC(N)C(=O)N1CCC(N)([NH3+])C1
SubComponent,Modify the molecule Cc1cc(C)c(C#N)c(Nc2c(F)cc(F)cc2Br)n1 by substituting a nitrile with a nitro.,Cc1cc(C)c(NO)c(Nc2c(F)cc(F)cc2Br)n1
DelComponent,Please remove a amine from the molecule c1c(NCC[NH+]2CCOCC2)nc(N2CCCC2)nc1N1CCCC1.,c1c(CC[NH+]2CCOCC2)nc(N2CCCC2)nc1N1CCCC1
LogP,Optimize the molecule Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc2cn[nH]c12 to have a higher LogP value.,CC(=O)c1ccc(-c2nc(C)c(C(=O)Nc3cccc4cn[nH]c34)s2)cc1
MR,Optimize the molecule Cc1cc(I)ccc1Nc1ncnc2nc[nH]c12 to have a lower MR value.,CC(=O)c1ccc(Nc2ncnc3nc[nH]c23)c(C)c1
QED,Please modify the molecule C[NH2+]C(c1cc(C)c(F)c(C)c1)c1ccccc1F to decrease its QED value.,C[NH2+]C(c1cc(C)cc(C)c1)c1ccccc1F
AtomNum,"There is a molecule with 11 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 fluorine atom, and 1 chlorine atom.",CCC(O)C(C[NH3+])c1cccc(Cl)c1F
BondNum,"The molecule is composed of 9 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCCc1c(C(=O)[O-])cnn1-c1ccc(CC(=O)[O-])cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 sulfone group.",CC1CC(c2ccccc2)C(C)N1S(=O)(=O)c1cnnn1C
AddComponent,Add a benzene ring to the molecule CC(O)(CNC(=O)NCCC1CCC1)c1ccsc1.,CC(O)(CNC(=O)NC(CC1CCC1)c1ccccc1)c1ccsc1
SubComponent,Please substitute a halo in the molecule O=C(NCC1COC2(CCCC2)O1)Nc1c(F)cccc1Oc1ccccc1 with a nitrile.,N#Cc1cccc(Oc2ccccc2)c1NC(=O)NCC1COC2(CCCC2)O1
DelComponent,Remove a benzene ring from the molecule Cc1cc(C)cc(-n2c([O-])c(C=NCCc3ccccc3)c(=O)[nH]c2=S)c1.,CCn1c([O-])c(C=NCCc2ccccc2)c(=O)[nH]c1=S
LogP,Please modify the molecule C[NH2+]C(COC)CSc1n[nH]c(=O)n1C to increase its LogP value.,COCC(CSc1n[nH]c(=O)n1C)[NH2+]Cc1ccccc1
MR,Please optimize the molecule CCN(CC)C(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)c(C(=O)OC)c1C to have a higher MR value.,CCN(CC)C(=O)c1sc(NC(=O)COc2ccc(S)cc2C)c(C(=O)OC)c1C
QED,Optimize the molecule COc1cc(N2CC[NH+](C)CC2)c(C)cc1C(=O)Nc1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12 to have a lower QED value.,CC(=O)c1ccc(F)c(C2CCCN2c2ccn3ncc(NC(=O)c4cc(C)c(N5CC[NH+](C)CC5)cc4OC)c3n2)c1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 8 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COC(=O)C(=C(C)C)N1C(=O)C(N=Cc2ccc([N+](=O)[O-])cc2)C1S(=O)(=O)[O-]
BondNum,"There is a molecule consisting of 15 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1cc2c(cc1OC)N(CC(C)C)C(C)(C)CN2
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 2 amide groups, 1 halo group, 1 nitrile group, and 1 sulfone group.",CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1
AddComponent,Please add a benzene ring to the molecule Cc1cc(C(=O)CCCS(C)(=O)=O)sc1Br.,Cc1cc(C(=O)CC(CS(C)(=O)=O)c2ccccc2)sc1Br
SubComponent,Please substitute a COc1cc(C=NNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc(I)c1OC in the molecule halo with a nitrile.,COc1cc(C=NNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc(C#N)c1OC
DelComponent,Modify the molecule amide by removing a O=C(Cc1ccc(-n2cccn2)cc1)NCCC1=CCCCC1.,C1=C(CCc2ccc(-n3cccn3)cc2)CCCC1
LogP,Please modify the molecule O=C(CCn1cc(Br)ccc1=O)N1CCOCC1c1ncn[nH]1 to decrease its LogP value.,O=C(CCn1ccccc1=O)N1CCOCC1c1ncn[nH]1
MR,Please modify the molecule CCCCOC(=O)N(Cc1ncco1)c1cnccc1I to decrease its MR value.,CCCCOC(=O)N(Cc1ncco1)c1cccnc1
QED,Modify the molecule C[NH2+]C1CCNc2c1ccc(F)c2Br to have a lower QED value.,C[NH2+]C1CCNc2c(Br)cccc21
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 6 fluorine atoms.",CCC[NH+]=C(N)NC(=O)Nc1c(C)cc(OC(=O)C(F)(F)F)c(OC(=O)C(F)(F)F)c1C
BondNum,"The molecule is composed of 15 single bonds, 4 double bonds, 1 triple bond, 5 rotatable bonds, and 12 aromatic bonds.",CC(C(=O)OCC(=O)Nc1cccc(C#N)c1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 ketone group, 1 amine group, and 1 halo group.",Nc1nc(=O)n(C2OC(CO)C=C2F)cc1C(=O)c1ccccc1
AddComponent,Please add a benzene ring to the molecule N#Cc1cccc(CNC(=O)CCc2ccc(N)cc2)c1.,N#Cc1cccc(CNC(=O)CCc2ccc(N)c(-c3ccccc3)c2)c1
SubComponent,Modify the molecule halo by substituting a CCN(CCCCl)S(=O)(=O)c1ccc(Cl)cc1 with a thiol.,CCN(CCCS)S(=O)(=O)c1ccc(Cl)cc1
DelComponent,Remove a halo from the molecule CCc1nc(N2CC[NH+]=C(N)N(C)C(=O)C(c3ccccc3)C2)nc(C)c1F.,CCc1cc(C)nc(N2CC[NH+]=C(N)N(C)C(=O)C(c3ccccc3)C2)n1
LogP,Optimize the molecule COCc1nc(N2CC3CC4CC3C2C4O)c2c(-c3ccccc3)csc2n1 to have a lower LogP value.,COCc1nc(N2CC3CC4CC3C2C4NO)c2c(-c3ccccc3)csc2n1
MR,Please modify the molecule Cc1cc(F)cc(NCC(C[NH3+])C(C)C)c1 to increase its MR value.,Cc1cc(F)cc(NCC(C[NH3+])C(C)CO)c1
QED,Please modify the molecule CCCCCCCCCCC(O)c1cccc(C)c1I to increase its QED value.,CCCCCCCCCCC(O)c1cccc(C)c1S
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COc1cc(OC)cc(C(=O)NCC2CCCN(C(=O)c3csc(C(C)C)n3)C2)c1
BondNum,"Please generate a molecule composed of 26 single bonds, 8 rotatable bonds, and 38 aromatic bonds.",C[Si](C)(C)c1cc2c(s1)-c1sc([Si](C)(C)C)cc1[Si]2(c1ccccc1)c1ccc([Si]2(c3ccccc3)c3cc([Si](C)(C)C)sc3-c3sc([Si](C)(C)C)cc32)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ketone group, and 1 halo group.",CC(C)(C)C(=O)c1ccc(I)cc1
AddComponent,Please add a amine to the molecule CCC(C)OCc1c(Br)cnn1CCF.,CC(N)C(C)OCc1c(Br)cnn1CCF
SubComponent,Substitute a hydroxyl in the molecule CCCCn1c(=O)n(Cc2nc(-c3ccco3)oc2C)c(=O)c2c1nc(CO)n2CCC with a nitrile.,CCCCn1c(=O)n(Cc2nc(-c3ccco3)oc2C)c(=O)c2c1nc(CC#N)n2CCC
DelComponent,Remove a Nc1cc(C(=O)Nc2ccc(F)cc2I)c(F)cc1F from the molecule amide.,Nc1c-c(F)(-c2ccc(F)cc2I)cc1F
LogP,Modify the molecule CCC1(CC)CN(c2ccc(N)cc2C(=O)[O-])C1 to increase its LogP value.,CCC1(CC)CN(c2ccccc2C(=O)[O-])C1
MR,Modify the molecule Nc1nnc(S(=O)(=O)N2CCCC(O)C2)s1 to have a higher MR value.,N#CC1CCCN(S(=O)(=O)c2nnc(N)s2)C1
QED,Optimize the molecule O=C(CCn1c(-c2ccc(F)cc2)n[nH]c1=S)Nc1ccc2c(c1)OC(F)(F)O2 to have a higher QED value.,Fc1ccc(-c2n[nH]c(=S)n2Cc2ccc3c(c2)OC(F)(F)O3)cc1
AtomNum,"Please generate a molecule with 23 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COc1ccc(C2=NC(CC(=O)Cc3ccccc3)CCCC2)cc1OC
BondNum,"Please generate a molecule with 23 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1nccc(OC2CCN(C(=O)C3CCCN(C(=O)OC(C)(C)C)C3)CC2)n1
FunctionalGroup,The molecule is composed of and 1 halo group.,CCc1nn(CC)c(CC2([NH3+])CCC(C)CC2)c1Br
AddComponent,Please add a nitrile to the molecule Cc1nc(C[NH+]2CCN(C(=O)C([NH3+])Cc3ccc(Oc4cc[nH]c5ncc(C)c4-5)c(F)c3)CC2)cs1.,Cc1nc(C[NH+]2CCN(C(=O)C([NH3+])Cc3ccc(Oc4cc[nH]c5ncc(C)c4-5)c(F)c3)CC2C#N)cs1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)CC(O)C[NH2+]C(c1ccccc1)c1ccccc1 with a aldehyde.,CC(=O)C(C[NH2+]C(c1ccccc1)c1ccccc1)CC(C)C
DelComponent,Remove a benzene ring from the molecule O=C(C=Cc1ccccn1)NC1CC2CCC(C1)[NH+]2Cc1ccccc1.,C[NH+]1C2CCC1CC(NC(=O)C=Cc1ccccn1)C2
LogP,Modify the molecule Cc1ccc(C23CC4CC(C2)C(NC(=O)N2CCCC2)C(C4)C3)cc1 to have a lower LogP value.,Cc1ccc(C23CC4CC(C2)C(NC(=O)N2CCCC2)C(N)(C4)C3)cc1
MR,Modify the molecule C=CC(C)NC(=O)C(O)c1cc(Cl)cc(Cl)c1 to increase its MR value.,C=CC(C)NC(=O)C(O)c1cc(Cl)cc(Cl)c1O
QED,Modify the molecule CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2CO)c1C to decrease its QED value.,CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2CBr)c1C
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CCC(C[NH3+])c1nc(CSc2ccccc2C)no1
BondNum,"There is a molecule with 22 single bonds, 2 double bonds, and 7 rotatable bonds.",CCNC(NCC(C(C)C)[NH+]1CCC(C)CC1)=[NH+]CC(=O)N(C)C
FunctionalGroup,"The molecule consists of 1 nitro group, and 1 sulfone group.",O=[N+]([O-])c1ccc(N2CCS(=O)(=O)CC2)nc1
AddComponent,Add a benzene ring to the molecule CC(Oc1ccc(Br)cc1F)C(=O)OC(C)(C)C.,CC(C)(C)OC(=O)C(Cc1ccccc1)Oc1ccc(Br)cc1F
SubComponent,Modify the molecule halo by substituting a NC(=O)C1C=CC=CC1(NS(=O)(=O)c1cccc2nccnc12)C(CF)c1ccc(F)cc1 with a carboxyl.,NC(=O)C1C=CC=CC1(NS(=O)(=O)c1cccc2nccnc12)C(CC(=O)[OH])c1ccc(F)cc1
DelComponent,Modify the molecule halo by removing a COc1ccccc1OCC(=O)Oc1ccc2oc(=O)sc2c1-c1ccc(Br)cc1.,COc1ccccc1OCC(=O)Oc1ccc2oc(=O)sc2c1-c1ccccc1
LogP,Modify the molecule [NH3+]C1CC(c2ccc(Cl)cc2)Cc2[nH]ncc21 to have a lower LogP value.,[NH3+]C1CC(Cl)Cc2[nH]ncc21
MR,Modify the molecule CC(C)N(Cc1ccc(N)cc1)c1[nH]cnc(=O)c1I to decrease its MR value.,CC(C)N(Cc1ccc(N)cc1)c1[nH]cnc(=O)c1C(=O)[OH]
QED,Modify the molecule Cc1ccc(C)c(NC(=O)N2CCC(NC(=O)Cc3cccs3)CC2)c1 to have a lower QED value.,Cc1ccc(C)c(NC(=O)N2CCC(c3cccs3)CC2)c1
AtomNum,"There is a molecule composed of 16 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",CC(=O)c1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCO3)s1
BondNum,"The molecule contains 20 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCNC(NC1CCC(C(F)(F)F)CC1)=[NH+]CCS(=O)Cc1ccccc1
FunctionalGroup,"The molecule contains 1 hydroxyl group, and 1 amide group.",CCn1cccc1C(=O)N1CC(O)CC1C(=O)[O-]
AddComponent,Add a carboxyl to the molecule CC[NH2+]Cc1cnc(N(C)C(C)Cc2cccs2)cn1.,CC[NH2+]Cc1cnc(N(C)C(C)(Cc2cccs2)C(=O)O)cn1
SubComponent,Modify the molecule C=Cc1nc(N)nc(N)c1-c1ccc(Cl)cc1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(-c2c(N)nc(N)nc2C=C)cc1
DelComponent,Please remove a CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(Cl)c3)ccc21 from the molecule benzene ring.,CS(=O)(=O)N1CCCc2cc(C(=O)NCl)ccc21
LogP,Please modify the molecule CCOC(=O)C1=C[NH+]2C3CC4CCCCC4CC3OC3CC(F)CC(C1=O)C32 to decrease its LogP value.,CC(=O)C1CC2OC3CC4CCCCC4CC3[NH+]3C=C(C(=O)OCC)C(=O)C(C1)C23
MR,Optimize the molecule COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OCc1ccccc1 to have a higher MR value.,COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OC(S)c1ccccc1
QED,Please modify the molecule CC(C)(C)NC(N)=[NH+]CCCNC(=O)C1CCC1 to increase its QED value.,CC(C)(C)NC(N)=[NH+]CCC1CCC1
AtomNum,"The molecule contains 17 carbon atoms, 3 nitrogen atoms, and 1 chlorine atom.",Clc1c[nH+]ccc1NC(c1ccccc1)c1ccccn1
BondNum,"Please generate a molecule with 24 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CCC(C)(C)C1CCC2(CC1)CC2C(=O)N1CCC(Cn2cncn2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",COc1ccc(C2(O)C[NH2+]C2)cc1Cl
AddComponent,Modify the molecule Clc1cc(C2CCCC[NH2+]2)ccc1OC1CCCOC1 by adding a hydroxyl.,OC1(Oc2ccc(C3CCCC[NH2+]3)cc2Cl)CCCOC1
SubComponent,Substitute a CCCC([NH3+])c1nc(-c2ccc(F)cn2)c(C)[nH]1 in the molecule halo with a thiol.,CCCC([NH3+])c1nc(-c2ccc(S)cn2)c(C)[nH]1
DelComponent,Please remove a hydroxyl from the molecule Oc1ccc(CC2CC2(Cl)Cl)cc1.,ClC1(Cl)CC1Cc1ccccc1
LogP,Optimize the molecule Cc1ccc(-n2c(C)cc(C=NNc3ccc(I)cc3)c2C)cc1 to have a lower LogP value.,Cc1ccc(-n2c(C)cc(C=NNc3ccc(C(=O)[OH])cc3)c2C)cc1
MR,Modify the molecule CCNC(=O)C(C)Oc1ccc(C)nc1C[NH2+]CC(C)C to have a lower MR value.,CCCOc1ccc(C)nc1C[NH2+]CC(C)C
QED,Please modify the molecule C=CCOC12Oc3ccc(OCC[NH+]4CC4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC)CC1N(Cc1ccc(F)cc1)C(=O)OCC)C32 to decrease its QED value.,C=CCOC12Oc3ccc(OCC[NH+]4CC4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC)CC1N(Cc1ccc(S)cc1)C(=O)OCC)C32
AtomNum,"The molecule consists of 18 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1cccc(CC(C)C)c1
BondNum,"The molecule is composed of 15 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCOP(=O)(OCC)C(c1ccccc1)C1(O)C=CCCC1
FunctionalGroup,"The molecule has 5 halo groups, and 1 nitrile group.",N#Cc1cc(OC(F)(F)F)nc(Cl)c1CCl
AddComponent,Modify the molecule c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1 by adding a amine.,Nc1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
SubComponent,Modify the molecule hydroxyl by substituting a CCC(O)CC(O)C(O)CCCCCC1CC1 with a aldehyde.,CC(=O)C(CC)CC(O)C(O)CCCCCC1CC1
DelComponent,Remove a nitrile from the molecule COc1c[nH]c2c(C(C#N)CN)cnc-2n1.,COc1c[nH]c2c(CCN)cnc-2n1
LogP,Modify the molecule COc1cc(NC2CCOC2C)nc(C)n1 to increase its LogP value.,COc1cc(C2CCOC2C)nc(C)n1
MR,Please modify the molecule O=C(NCCc1ccc(F)cc1)c1cc(NCc2ccccn2)ncn1 to increase its MR value.,O=C(NCCc1ccc(F)c(O)c1)c1cc(NCc2ccccn2)ncn1
QED,Please optimize the molecule CCC(C(C)C)P(=O)(OC(C)(C)C)SCCC#N to have a higher QED value.,CCSP(=O)(OC(C)(C)C)C(CC)C(C)C
AtomNum,"The molecule is composed of 5 carbon atoms, 2 oxygen atoms, 1 sulfur atom, 3 fluorine atoms, and 1 boron atom.",CCS(=O)(=O)CCC[B-](F)(F)F
BondNum,"The molecule contains 10 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",COC(=O)CCc1c(C(F)(F)F)[nH]c2ccc(C)cc12
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, and 1 sulfide group.",Cc1ccc(C[NH2+]Cc2cscn2)cc1N
AddComponent,Please add a benzene ring to the molecule CC1(C)CC(Nc2cc(F)ccc2[N+](=O)[O-])C(C)(C)O1.,CC1(Cc2ccccc2)CC(Nc2cc(F)ccc2[N+](=O)[O-])C(C)(C)O1
SubComponent,Modify the molecule nitro by substituting a O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1 with a halo.,O=Ic1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1
DelComponent,Modify the molecule Cc1nc(C2CN(C(=O)CC(C)NC(=O)C3CCCC3)CCO2)n[nH]1 by removing a amide.,Cc1nc(C2CC(C(C)NC(=O)C3CCCC3)CO2)n[nH]1
LogP,Please modify the molecule C=CC12CCC3(C)CC(OC(=O)c4ccc(S(N)(=O)=O)cc4)CC3C1C(F)Cc1cc(O)ccc12 to decrease its LogP value.,C=CC12CCC3(C)CC(OC(=O)c4ccc(S(N)(=O)=O)cc4)CC3(CC=O)C1C(F)Cc1cc(O)ccc12
MR,Please modify the molecule N#Cc1ccc(C[NH2+]CCN2CCCCCC2)s1 to decrease its MR value.,c1csc(C[NH2+]CCN2CCCCCC2)c1
QED,Optimize the molecule Cc1cc2c(N(Cc3ccco3)C3CC3)nc(Cl)nc2s1 to have a higher QED value.,Cc1cc2c(N(Cc3ccco3)C3CC3)nc(NO)nc2s1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 chlorine atoms.",O=C(CCCOc1ccccc1Cl)Nc1ccccc1Cl
BondNum,"The molecule has 17 single bonds, 2 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",CCc1cc2c(N3CCN(C(=O)CCCC(=O)c4ccc(C)c(C)c4)CC3)ncnc2s1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 2 amine groups, and 2 halo groups.",Fc1cccc(F)c1C=NNC(=S)NCc1ccccc1
AddComponent,Please add a aldehyde to the molecule CC1(C)CCCC1Nc1c(N)cccc1C(=O)[O-].,CC1(C)CCC(CC=O)C1Nc1c(N)cccc1C(=O)[O-]
SubComponent,Substitute a halo in the molecule CNc1nc(Cc2ccccc2C)nc(C)c1F with a carboxyl.,CNc1nc(Cc2ccccc2C)nc(C)c1C(=O)[OH]
DelComponent,Remove a hydroxyl from the molecule CCCCCOc1ccc(C2C(c3ccc(OCC)c(Cl)c3)=C(O)C(=O)N2c2ccc(C(C)=O)cc2)cc1.,CCCCCOc1ccc(C2C(c3ccc(OCC)c(Cl)c3)=CC(=O)N2c2ccc(C(C)=O)cc2)cc1
LogP,Modify the molecule Cc1ccc(C[NH+]2CCCn3c(nc(CNC(=O)c4ccsc4)cc3=O)C2)s1 to decrease its LogP value.,Cc1sc(C[NH+]2CCCn3c(nc(CNC(=O)c4ccsc4)cc3=O)C2)cc1O
MR,Modify the molecule COc1ccc(C2OC(=O)C(Cl)=C2Cl)c(OC)c1OC to have a higher MR value.,COc1ccc(C2OC(=O)C(S)=C2Cl)c(OC)c1OC
QED,Please modify the molecule O=S(=O)(N1CCCCC1)N(Cc1cccc(O)c1)C1CCC(O)CC1 to decrease its QED value.,NC1CC(N(Cc2cccc(O)c2)S(=O)(=O)N2CCCCC2)CCC1O
AtomNum,"There is a molecule consisting of 8 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CNNC(=O)C([NH3+])C1CCCC1
BondNum,"There is a molecule with 19 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",COc1ccccc1OCC(=O)N1CCCN(C(=O)OCC(C)C)CC1
FunctionalGroup,"The molecule contains 1 halo group, and 1 sulfide group.",Cc1ncc(C(=O)[O-])c(-c2ccc(Br)s2)n1
AddComponent,Please add a aldehyde to the molecule Cc1c(N2CCC(C(N)(C(F)(F)F)C(F)(F)F)C2)c(F)c(C(F)F)c2c(=O)[nH]c(=O)n(C3CC3)c12.,Cc1c(N2CC(CC=O)C(C(N)(C(F)(F)F)C(F)(F)F)C2)c(F)c(C(F)F)c2c(=O)[nH]c(=O)n(C3CC3)c12
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc(C(O)C[NH2+]C2CN3CCC2CC3)cc1 with a aldehyde.,CC(=O)C(C[NH2+]C1CN2CCC1CC2)c1ccc(OC)cc1
DelComponent,Remove a Cc1ccc(NC(=O)CSc2n[nH]c3nc(=O)ccn23)c(C)c1 from the molecule amide.,Cc1ccc(Sc2n[nH]c3nc(=O)ccn23)c(C)c1
LogP,Modify the molecule O=C(Nc1cccnc1N1CCN(C(=O)c2ccccn2)CC1)c1[nH]c2cc(Cl)cc3c2c1-c1c(-c2ccccc2)ncn1C3c1ccc(Cl)cc1 to decrease its LogP value.,ONc1cc2c3c(c(C(=O)Nc4cccnc4N4CCN(C(=O)c5ccccn5)CC4)[nH]c3c1)-c1c(-c3ccccc3)ncn1C2c1ccc(Cl)cc1
MR,Modify the molecule CCNC(=O)Nc1ncc(C(=O)NC)c(Nc2ccccc2)n1 to have a higher MR value.,CCNC(=O)Nc1ncc(C(=O)NC)c(Nc2ccccc2-c2ccccc2)n1
QED,Modify the molecule O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCCCC2)nn1 to have a lower QED value.,O=C(Nc1cc(-c2ccccc2)c([N+](=O)[O-])cc1Cl)c1ccc(N2CCCCC2)nn1
AtomNum,"The molecule consists of 15 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCS(=O)(=O)N1CCOCC2(CC(C[NH+]3CCCC3)CO2)C1
BondNum,"There is a molecule consisting of 12 single bonds, 6 rotatable bonds, and 62 aromatic bonds.",c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3-c3c2oc2ccccc32)c2cccc3ccccc23)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 amide groups, 1 halo group, and 1 sulfide group.",COc1cc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc(Cl)c1OCC(N)=O
AddComponent,Please add a benzene ring to the molecule CC(N)=[NH+]C1CCN(C(=O)CC(O)C2CC(SC3=C(C(=O)[O-])N4C(=O)C(C(C)O)C4C3C)C[NH2+]2)C1.,CC(N)=[NH+]C1CN(C(=O)CC(O)C2CC(SC3=C(C(=O)[O-])N4C(=O)C(C(C)O)C4C3C)C[NH2+]2)CC1c1ccccc1
SubComponent,Please substitute a COCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1[N+](=O)[O-] in the molecule nitro with a thiol.,COCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1[SH]=O
DelComponent,Modify the molecule amine by removing a Cc1cc(C)c(C(=O)[O-])c(NCC[NH+]2CCCC2)n1.,Cc1cc(C)c(C(=O)[O-])c(CC[NH+]2CCCC2)n1
LogP,Optimize the molecule CCCNc1cncc(-c2ccc(SC(F)F)cc2)n1 to have a lower LogP value.,CCCNc1cncc(-c2ccc(SC(F)C(=O)[OH])cc2)n1
MR,Modify the molecule CCC(C(=O)[O-])c1ccc(N2C(=O)c3c(c(OC(F)F)c4ccccc4c3OC(C)C)C2=O)cc1 to have a lower MR value.,CCC(C(=O)[O-])c1ccc(N2C(=O)c3c(c(OC(C)C)c4ccccc4c3OCF)C2=O)cc1
QED,Please optimize the molecule [NH3+]C1(c2ccc(OC3CCCOC3)cc2)CCCC1 to have a lower QED value.,[NH3+]C1(OC2CCCOC2)CCCC1
AtomNum,"The molecule contains 18 carbon atoms, and 3 nitrogen atoms.",CCc1ccc(C([NH3+])C(C)n2nc(C)c(CC)c2C)cc1
BondNum,"There is a molecule with 25 single bonds, and 4 double bonds.",CC1NC(=O)C23CC(O)C4C(CCC5=CC(=O)C=CC54C)C2CCC13
FunctionalGroup,Please generate a molecule with and 1 ester group.,C=NC(C(=O)OC(C)(C)C)C1CCCCC1
AddComponent,Modify the molecule Cc1c(-c2ccccc2)cc2ccc(Br)cc2c1OS(=O)(=O)C(F)(F)F by adding a benzene ring.,Cc1c(-c2cccc(-c3ccccc3)c2)cc2ccc(Br)cc2c1OS(=O)(=O)C(F)(F)F
SubComponent,Substitute a nitro in the molecule COCCN(CC(C)C)c1cccc(Cl)c1[N+](=O)[O-] with a thiol.,COCCN(CC(C)C)c1cccc(Cl)c1[SH]=O
DelComponent,Remove a nitrile from the molecule Cc1ccc2c(CC(=O)[O-])coc2c1C#N.,Cc1ccc2c(CC(=O)[O-])coc2c1
LogP,Please modify the molecule CCc1nc(C(=O)N(CC(=O)[O-])C(C)C)nn1-c1c(Cl)cccc1Cl to decrease its LogP value.,CCc1nc(C(=O)N(CC(=O)[O-])C(C)C)nn1-c1c(S)cccc1Cl
MR,Modify the molecule CNS(=O)c1ccc(OC2CCCCC2)c(Nc2ncnc3nc[nH]c23)c1 to increase its MR value.,O=S(NCc1ccccc1)c1ccc(OC2CCCCC2)c(Nc2ncnc3nc[nH]c23)c1
QED,Modify the molecule O=C(C1CCc2nncn2C1)N1CCC2(CC1)CC(C1C3C=CC=CC3c3cncn31)C2O to decrease its QED value.,N#CC1C(C2C3C=CC=CC3c3cncn32)CC12CCN(C(=O)C1CCc3nncn3C1)CC2
AtomNum,"There is a molecule composed of 12 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",c1ccc(OCCC2CNCC[NH2+]2)cc1
BondNum,"The molecule is composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",O=C([O-])CCOc1ccc(Cl)c(F)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",Cc1ccccc1CC(C[NH3+])C(=O)N(C)C
AddComponent,Modify the molecule Cc1nn(Cc2noc3c2CCCC3)c(C)c1Br by adding a benzene ring.,Cc1nn(Cc2noc3c2CCC(c2ccccc2)C3)c(C)c1Br
SubComponent,Please substitute a halo in the molecule COc1ccc(OC)c(-c2ccc(SCC(=O)Nc3ccc(F)cc3F)nn2)c1 with a carboxyl.,COc1ccc(OC)c(-c2ccc(SCC(=O)Nc3ccc(C(=O)[OH])cc3F)nn2)c1
DelComponent,Please remove a nitrile from the molecule CC[NH+](CCNC(=O)OC1C(C)OC(OC2C(C)C(=O)OC3C[NH+](C3)C(C)C(O)C(C)CC(C)(OC)C(OC3OC(C)CC([NH+](C)C)C3O)C2C)CC1(C)OC)C(C)c1cccc(C#N)c1.,CC[NH+](CCNC(=O)OC1C(C)OC(OC2C(C)C(=O)OC3C[NH+](C3)C(C)C(O)C(C)CC(C)(OC)C(OC3OC(C)CC([NH+](C)C)C3O)C2C)CC1(C)OC)C(C)c1ccccc1
LogP,Modify the molecule CCCNC(C#N)CN1CCOc2ccccc2C1 to increase its LogP value.,CCCC(C#N)CN1CCOc2ccccc2C1
MR,Modify the molecule COc1ccc(C2C(c3cc(Cl)c(OC)c(OC)c3)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1OC to decrease its MR value.,COc1ccc(C2C(c3cc(Cl)c(OC)c(OC)c3)=C(O)C(=O)N2NC(C)=O)cc1OC
QED,Please optimize the molecule CC1C2OCC(O2)C(O)(Cc2ccccc2)C1(O)O to have a lower QED value.,CC1C2OCC(O2)C(C)(O)C1(O)O
AtomNum,"Please generate a molecule with 11 carbon atoms, and 2 nitrogen atoms.",C[NH2+]C1CCC(c2ccc[nH]2)CC1
BondNum,"The molecule is composed of 13 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",COc1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c(OC)c1
FunctionalGroup,"Please generate a molecule with 1 ester group, and 1 amide group.",CCOC(=O)CCC(=O)N1CCCC(CNC(N)=O)C1
AddComponent,Modify the molecule CC1(C)CCC[NH+](C2C(=C=O)C=CC=C2N(CC(=O)[O-])C(=O)C[NH3+])C1 by adding a hydroxyl.,CC1(C)CCC[NH+](C2(O)C(=C=O)C=CC=C2N(CC(=O)[O-])C(=O)C[NH3+])C1
SubComponent,Please substitute a CC(=C(F)C(=O)[O-])c1cc(C)oc1C in the molecule halo with a nitro.,CC(=C(NO)C(=O)[O-])c1cc(C)oc1C
DelComponent,Remove a benzene ring from the molecule CC(=O)c1ccc(NC(=O)N2CCC(NC(=O)CCC(=O)c3ccc(C)cc3)CC2)cc1.,CC(=O)NC(=O)N1CCC(NC(=O)CCC(=O)c2ccc(C)cc2)CC1
LogP,Modify the molecule Nc1nc(Cc2ccccc2)ncc1-c1ccccc1 to have a lower LogP value.,Nc1nc(Cc2ccccc2)ncc1-c1ccccc1O
MR,Modify the molecule CC(C)(C)OC(=O)N1CCCC1CNC(=O)c1ccc(-c2cn[nH]c2)nc1NCCc1cccc(F)c1 to have a lower MR value.,CC(C)(C)OC(=O)N1CCCC1CNC(=O)c1ccc(-c2cn[nH]c2)nc1NCCF
QED,Please optimize the molecule N#CCCNC(=O)C(Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccccc1 to have a higher QED value.,N#CCCNC(=O)C(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1
AtomNum,"There is a molecule consisting of 11 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCC[NH2+]C(CCSC)Cc1cn(C)nn1
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",Cc1ccc2ncc(C(=O)N(Cc3ccccc3)CC3CCC3)c(=O)n2c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, 1 halo group, 1 sulfide group, and 1 sulfone group.",[NH3+]Cc1ccc(S(=O)(=O)NCc2ccsc2)cc1Cl
AddComponent,Please add a benzene ring to the molecule COc1cccc(-c2ccc(-c3ccc(C(=O)[O-])cc3)cc2-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1.,COc1cccc(-c2ccc(-c3ccc(C(=O)[O-])cc3)cc2-c2ccc3c(c2)C(C)(Cc2ccccc2)CCC3(C)C)c1
SubComponent,Modify the molecule halo by substituting a CCC(=O)CC(C)(C)C(Br)CC(Cl)(Cl)Cl with a thiol.,CCC(=O)CC(C)(C)C(S)CC(Cl)(Cl)Cl
DelComponent,Please remove a Cc1cc(C)c(-n2nnnc2N)c(Br)c1 from the molecule amine.,Cc1cc(C)c(-n2cnnn2)c(Br)c1
LogP,Modify the molecule Cn1c(C[NH2+]CC(C)(C)CO)nc2ccccc21 to have a lower LogP value.,Cn1c(C[NH2+]CC(C)(C)CNO)nc2ccccc21
MR,Modify the molecule CC(C)C(C)(C)CNS(=O)(=O)c1cnc(Cl)nc1 to have a higher MR value.,CC(C)C(C)(C)CNS(=O)(=O)c1cnc(S)nc1
QED,Modify the molecule CC(C)N(CC1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1I to increase its QED value.,CC(C)N(CC1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1C(=O)[OH]
AtomNum,"The molecule is composed of 23 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",Cc1c(-c2ccccc2)oc2c(C(=O)NCCC3CC[NH2+]C3)cccc2c1=O
BondNum,"The molecule contains 8 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",CC(c1ccncc1)C([NH3+])CCCc1cccs1
FunctionalGroup,"The molecule has 2 benzene ring groups, and 1 amine group.",COc1cc(OC)c(OC)cc1C[NH+]1CCC(Nc2ccccc2C)CC1
AddComponent,Modify the molecule COC(=O)NC1C(Oc2ccccc2)OC(COS(=O)(=O)c2ccc(C)cc2)C(O)C1O by adding a benzene ring.,COC(=O)NC1C(Oc2ccc(-c3ccccc3)cc2)OC(COS(=O)(=O)c2ccc(C)cc2)C(O)C1O
SubComponent,Please substitute a hydroxyl in the molecule CCCCCC(=O)Cc1cc(C(C)C)c2c(c1[O-])C(=O)C1C(=O)C3(O)C(=O)C(C(C)=O)C(=O)C(C(C)C)C3(C)CC1(C)C2 with a halo.,CCCCCC(=O)Cc1cc(C(C)C)c2c(c1[O-])C(=O)C1C(=O)C3(F)C(=O)C(C(C)=O)C(=O)C(C(C)C)C3(C)CC1(C)C2
DelComponent,Please remove a halo from the molecule CCCN(CCC)c1nc(F)nc(F)n1.,CCCN(CCC)c1ncnc(F)n1
LogP,Modify the molecule CC(CCS)CC[NH+](C)Cc1ccccc1Cl to have a lower LogP value.,CC(CCS)CC[NH+](C)Cc1ccccc1NO
MR,Modify the molecule Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 to increase its MR value.,Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1-c1ccccc1
QED,Modify the molecule CCCCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)NCCCC)cc2)c1 to increase its QED value.,CCCCCCOc1cccc(Nc2ccc(C(=O)NCCCC)cc2)c1
AtomNum,"Please generate a molecule with 20 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COc1cccc(CN(C)C(=O)COC(=O)c2cc(C)cc(C)c2)c1
BondNum,"There is a molecule consisting of 45 single bonds, 8 double bonds, 18 rotatable bonds, and 54 aromatic bonds.",CC(NC(=O)c1ccccc1C1N2C(=O)CCC(=O)N2C(c2ccccc2C(=O)NCc2ccccc2)P1c1ccccc1P1C(c2ccccc2C(=O)NC(C)c2ccccc2)N2C(=O)CCC(=O)N2C1c1ccccc1C(=O)NC(C)c1ccccc1)c1ccccc1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 amine group.",CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc3c(C)cc(C)cc3[nH]2)c(=O)[nH]c1=O
AddComponent,Add a hydroxyl to the molecule CCC1CN(C(=O)c2cccc(-c3ccccc3OC)c2)CCC1(C)O.,CCC1CN(C(=O)c2ccc(O)c(-c3ccccc3OC)c2)CCC1(C)O
SubComponent,Please substitute a COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 in the molecule halo with a nitro.,COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1ccc(OC(F)(F)NO)cc1
DelComponent,Remove a amine from the molecule C=CC(C)Nc1ncnc(Cl)c1C.,C=CC(C)c1ncnc(Cl)c1C
LogP,Modify the molecule CC(O)C=Cc1ccc(Cl)cc1CCNC(=O)OC(C)(C)C to have a higher LogP value.,CCC=Cc1ccc(Cl)cc1CCNC(=O)OC(C)(C)C
MR,Please modify the molecule CCSC1CCC(n2c(=S)[nH]c3ccccc3c2=O)C1 to increase its MR value.,CCSC1CC(CC=O)C(n2c(=S)[nH]c3ccccc3c2=O)C1
QED,Optimize the molecule [NH3+]CC1CCC(COCc2ccc(Cl)cc2)O1 to have a lower QED value.,[NH3+]CC1CCC(COCCl)O1
AtomNum,"The molecule consists of 18 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC(C)c1ccc(C=CCC(=O)N2CCOCC2C(=O)[O-])cc1
BondNum,"Please generate a molecule composed of 10 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",NNC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, and 2 halo groups.",Cn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCC(Cc3ccccc3)CC2)c2cc(Cl)ccc21
AddComponent,Please add a carboxyl to the molecule C=C(Br)CNC(=[NH+]C)N1CCC(OCC2CCCCO2)CC1.,C=C(Br)CNC(=[NH+]C)N1CCC(OCC2(C(=O)O)CCCCO2)CC1
SubComponent,Please substitute a CCc1sc(Cl)nc1-c1cccc(F)c1 in the molecule halo with a carboxyl.,CCc1sc(C(=O)[OH])nc1-c1cccc(F)c1
DelComponent,Modify the molecule amide by removing a C=C(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCC(C)CC1.,CCc1cc(C(F)(F)F)ccc1N1CCC(C)CC1
LogP,Please modify the molecule CC(C#N)C(=O)NCCc1ccccc1F to decrease its LogP value.,CC(C#N)C(=O)NCCc1ccccc1NO
MR,Modify the molecule [NH3+]C1CCCC(CCC(=O)N2CCCCCCC2)C1 to have a lower MR value.,[NH3+]C1CCCC(CC2CCCCCC2)C1
QED,Modify the molecule CCCC1=C(Cc2ccnn2-c2ncccc2C#N)[NH+]=CN([NH+]=C(N)CCOCC)C1I to have a lower QED value.,CCCC1=C(Cc2ccnn2-c2ncc(O)cc2C#N)[NH+]=CN([NH+]=C(N)CCOCC)C1I
AtomNum,"There is a molecule composed of 20 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COC(=O)c1ccc(CNC(=O)C(C)[NH+]2CCN(C(=O)C3CC3)CC2)cc1
BondNum,"The molecule contains 15 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CNc1nc(CSC2CCCCC2)nc(COC)c1I
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 2 ester groups, and 1 nitro group.",COC(=O)C1C(C)=NC(C)=C(C(=O)OCCN2CCC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1
AddComponent,Modify the molecule O=C(c1ccccn1)C1CCC[NH+](Cc2noc(C3CCCC3)n2)C1 by adding a benzene ring.,O=C(c1ccccn1)C1CCC[NH+](Cc2noc(C3CCCC3c3ccccc3)n2)C1
SubComponent,Please substitute a halo in the molecule C=CCCCCN(C)C(=O)N1CC(Oc2cc(-c3nc(C(C)C)cs3)nc3cc(OC)ccc23)CC1C(=O)NC1(C(=O)OCC)CC1I with a nitrile.,C=CCCCCN(C)C(=O)N1CC(Oc2cc(-c3nc(C(C)C)cs3)nc3cc(OC)ccc23)CC1C(=O)NC1(C(=O)OCC)CC1C#N
DelComponent,Please remove a benzene ring from the molecule COc1ccc(C(C)=O)cc1COCc1ccccc1Cl.,COC(OCc1ccccc1Cl)C(C)=O
LogP,Please optimize the molecule CCCCC(CC)Nc1ccccc1C(C)O to have a higher LogP value.,CCCCC(CC)Nc1ccccc1C(C)C(=O)[OH]
MR,Modify the molecule O=C(Nc1ccccc1)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1 to decrease its MR value.,NC(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1
QED,Modify the molecule CCOc1ccc(OCC)c(NC(=O)C2[NH2+]CCC2C)c1 to decrease its QED value.,CCOc1cc(O)c(OCC)c(NC(=O)C2[NH2+]CCC2C)c1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1c(C(=O)[O-])sc2ccc(N)cc12
BondNum,"The molecule contains 6 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=S(=O)([O-])Cc1ccc(SCc2ccccc2)cc1
FunctionalGroup,"The molecule is composed of 2 amine groups, 1 halo group, 2 thioether groups, and 1 sulfide group.",CCNC(=NCC1([NH+]2CCOCC2)CCSC1)NC1CCN(c2ncccc2F)C1
AddComponent,Modify the molecule COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 by adding a hydroxyl.,COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2c(O)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1
SubComponent,Substitute a halo in the molecule CCc1ccc(OCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c(Br)c1 with a thiol.,CCc1ccc(OCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c(S)c1
DelComponent,Remove a nitrile from the molecule N#CC1(C#N)C(c2c(Cl)cccc2Cl)OC23CCCCCCC2C1(C#N)C(=N)O3.,N#CC1C(c2c(Cl)cccc2Cl)OC23CCCCCCC2C1(C#N)C(=N)O3
LogP,Please modify the molecule CCC(NC(=O)CCC#N)C(O)C(C)OC1OC(CC)C(OC2OC(CNC(=O)OCc3ccccc3)C=CC2NC(=O)OCc2ccccc2)C1O to decrease its LogP value.,CCC(NC(=O)CCC#N)C(NO)C(C)OC1OC(CC)C(OC2OC(CNC(=O)OCc3ccccc3)C=CC2NC(=O)OCc2ccccc2)C1O
MR,Modify the molecule CCCCn1c(COC(=O)C2CCCCC2)nc2cc(S(N)(=O)=O)ccc21 to increase its MR value.,CCCCn1c(C(OC(=O)C2CCCCC2)C(=O)O)nc2cc(S(N)(=O)=O)ccc21
QED,Modify the molecule CCc1nn(CC)c(CC(=O)CCCO)c1Cl to decrease its QED value.,CCc1cc(CC(=O)CCCO)n(CC)n1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 1 oxygen atom, and 8 nitrogen atoms.",OCCn1ncc2c(NCc3ccc(-n4cccn4)nc3)ncnc21
BondNum,"The molecule consists of 6 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",[NH3+]Cc1csc(C(O)c2ccccc2Cl)n1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, 2 amide groups, and 2 halo groups.",Cc1c(O)cccc1N1C(=O)c2cc(F)c(F)cc2C1=O
AddComponent,Please add a thiol to the molecule CC(Nc1ccc(-c2cc3ccccc3o2)cc1)C(=O)Nc1ccccc1C#N.,N#Cc1ccccc1NC(=O)C(CS)Nc1ccc(-c2cc3ccccc3o2)cc1
SubComponent,Please substitute a halo in the molecule Cc1ncsc1-c1nnc(C2CCC(CNC(=O)COc3ccc(F)cc3)CC2)o1 with a thiol.,Cc1ncsc1-c1nnc(C2CCC(CNC(=O)COc3ccc(S)cc3)CC2)o1
DelComponent,Remove a benzene ring from the molecule CCCCCCCCCCCCCC(=O)NCC[N+]1(Cc2ccccc2)CCN=C1CCCCCCCCCCCCC.,CCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCCC
LogP,Optimize the molecule CCN1CCN(CC(=O)N2CC[NH+](C)CC2)C(=O)C1=O to have a lower LogP value.,CCN1CCN(CC(=O)N2CC[NH+](C)CC2O)C(=O)C1=O
MR,Please optimize the molecule CC[NH+](CC)C(C(=O)NCCC(C)O)c1ccccc1 to have a higher MR value.,CC[NH+](CC)C(C(=O)NCCC(C)Br)c1ccccc1
QED,Optimize the molecule CCOc1cc(C=C2SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OC to have a higher QED value.,CCOc1cc(C=C2SC(=O)N(Cc3ccccc3C(=O)[OH])C2=O)ccc1OC
AtomNum,"There is a molecule consisting of 20 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 2 fluorine atoms.",O=C(COC(=O)c1cccc(OC(F)F)c1)c1ccc(N2CCCC2=O)cc1
BondNum,"There is a molecule composed of 6 single bonds, 4 rotatable bonds, and 22 aromatic bonds.",Fc1ccc(Cn2nnc3c(Nc4ccc(Br)cc4)ncnc32)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 2 amide groups.",CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)N3CCCC(C(=O)[O-])C3)cc2)cc1
AddComponent,Please add a aldehyde to the molecule CC(C)C(NC(=O)Nc1ccccc1)C(=O)OCC(=O)NC1CCS(=O)(=O)C1.,CC(CCC=O)C(NC(=O)Nc1ccccc1)C(=O)OCC(=O)NC1CCS(=O)(=O)C1
SubComponent,Modify the molecule C[NH+]1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2cccc(Br)c2)CC1 by substituting a halo with a carboxyl.,C[NH+]1CCN(c2c(NC(=S)NC(=O)c3cccc(Br)c3)cccc2C(=O)[OH])CC1
DelComponent,Please remove a halo from the molecule CC(C)c1cc(F)cc(C(=O)N2CCOCC2)c1.,CC(C)c1cccc(C(=O)N2CCOCC2)c1
LogP,Optimize the molecule CCN(CCC(=O)[O-])C(=O)NCCCC1CC1 to have a lower LogP value.,CC(N)N(CCC(=O)[O-])C(=O)NCCCC1CC1
MR,Optimize the molecule O=c1c2ccccc2nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1Cc1ccco1 to have a higher MR value.,O=c1c2ccccc2nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1Cc1cc(-c2ccccc2)co1
QED,Please modify the molecule Cc1cc2nc(NCCO)n(CC(=O)c3ccccc3)c2cc1C to increase its QED value.,Cc1cc2nc(NCCF)n(CC(=O)c3ccccc3)c2cc1C
AtomNum,"The molecule is composed of 20 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",C[NH+](C)CCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2cccnc2)n1
BondNum,"There is a molecule composed of 12 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",C[NH+]=C(NCc1cccc(OC(C)C)c1)NCc1coc(-c2ccccc2)n1
FunctionalGroup,"Please generate a molecule composed of 1 amine group, 1 sulfide group, and 1 sulfone group.",CCCS(=O)(=O)c1c(N)nsc1N1CCC(C)(C)CC1
AddComponent,Please add a hydroxyl to the molecule Cc1cc(C)c(C)c(OCCOc2cccc(-c3nc(C(=O)[O-])cs3)c2)c1.,Cc1cc(CO)c(C)c(OCCOc2cccc(-c3nc(C(=O)[O-])cs3)c2)c1
SubComponent,Substitute a halo in the molecule CC1CN(C(=O)C2CCN(C(=O)c3oc4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)CC[NH2+]1 with a nitrile.,CC1CN(C(=O)C2CCN(C(=O)c3oc4c(C(F)(F)C#N)cc(C5CC5)cc4c3Cl)CC2)CC[NH2+]1
DelComponent,Modify the molecule halo by removing a CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2cc(Cl)ccc2C(F)(F)F)c2ccccc2N1.,CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2cc(Cl)ccc2C(F)F)c2ccccc2N1
LogP,Optimize the molecule CC(C)c1nc2n(n1)CC([NH2+]C(C)C(c1ccccc1)N1CCOCC1)CC2 to have a lower LogP value.,CC(CN1CCOCC1)[NH2+]C1CCc2nc(C(C)C)nn2C1
MR,Please optimize the molecule O=C(Nc1ccc(CNc2ccc(Br)cn2)cc1)c1cccnc1 to have a lower MR value.,ONc1ccc(NCc2ccc(NC(=O)c3cccnc3)cc2)nc1
QED,Please optimize the molecule CCCOC(=O)c1c(-c2ccc(F)cc2)nc(CC)c(C(=O)SCC)c1CCC to have a higher QED value.,CCCOC(=O)c1c(F)nc(CC)c(C(=O)SCC)c1CCC
AtomNum,"There is a molecule composed of 21 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 3 fluorine atoms.",CCCCN(C=CC(O)(c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(C)cc1
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",O=C(NCc1cccc(Br)c1)c1cc(C2CC[NH2+]CC2)[nH]n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 2 halo groups.",OCCN(Cc1ccc(Cl)c(F)c1)CC1CCC[NH2+]1
AddComponent,Add a benzene ring to the molecule O=C1CC(Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1c1ccccc1.,O=C1CC(Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1c1ccccc1-c1ccccc1
SubComponent,Substitute a CC[NH+]1CCCC(NS(=O)(=O)c2ccc(C)c(CO)c2)C1 in the molecule hydroxyl with a thiol.,CC[NH+]1CCCC(NS(=O)(=O)c2ccc(C)c(CS)c2)C1
DelComponent,Remove a hydroxyl from the molecule Nc1cc(C(=O)[O-])ccc1N1CCCC(CCO)C1.,CCC1CCCN(c2ccc(C(=O)[O-])cc2N)C1
LogP,Please modify the molecule O=C(NCCO)c1cc(-c2ccccc2Cl)n[nH]1 to increase its LogP value.,N#CCCNC(=O)c1cc(-c2ccccc2Cl)n[nH]1
MR,Optimize the molecule FC(F)c1nc(I)c(Br)cc1I to have a higher MR value.,ONC(F)c1nc(I)c(Br)cc1I
QED,Optimize the molecule COCCn1cc(C)[nH+]c1NCC1CCS(=O)(=O)C1 to have a lower QED value.,COCCn1cc(C)[nH+]c1CC1CCS(=O)(=O)C1
AtomNum,"The molecule has 19 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1ccccc1N1CCC(NC(=O)CC2CCCCO2)CC1
BondNum,"The molecule contains 7 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(CCC(=CC(=O)[O-])c2ccccn2)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",CC(=O)N1CC[NH+](C(CN2CC[NH2+]CC2)c2ccccc2)CC1
AddComponent,Add a benzene ring to the molecule CCc1c(C(=O)OC)nnn1C1CCCC(S(C)(=O)=O)C1.,CCc1c(C(=O)OC)nnn1C1CCCC(S(=O)(=O)Cc2ccccc2)C1
SubComponent,Substitute a hydroxyl in the molecule O=C([O-])c1ccc(Oc2ccccn2)cc1O with a carboxyl.,O=C([O-])c1ccc(Oc2ccccn2)cc1C(=O)[OH]
DelComponent,Please remove a amide from the molecule C[NH2+]C(C)C(=O)NC(C(=O)N1CS(=O)(=O)CC1C(=O)[O-])C(C)C.,C[NH2+]CC(C(=O)N1CS(=O)(=O)CC1C(=O)[O-])C(C)C
LogP,Modify the molecule CC(c1ccccc1)(C(O)C1CCCCC1)n1nnc2ccccc21 to have a higher LogP value.,CC(=O)C(C1CCCCC1)C(C)(c1ccccc1)n1nnc2ccccc21
MR,Please optimize the molecule ClB(Cl)N1CCCCCC1 to have a higher MR value.,CC(=O)B(Cl)N1CCCCCC1
QED,Modify the molecule O=C(CCCN1C(=O)c2cccc3cccc1c23)N1CCC(Cc2ccccc2)CC1 to decrease its QED value.,O=C1c2cccc3cccc(c23)N1CCC1CCC(Cc2ccccc2)C1
AtomNum,"There is a molecule with 14 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC(C)Cn1ccc2c1CC(C)(C)CC2=O
BondNum,"Please generate a molecule consisting 11 single bonds, 1 triple bond, 8 rotatable bonds, and 39 aromatic bonds.",Cc1c(C)n(Cc2ccccc2)c2ncnc(Nc3c(C#N)c(-c4ccccc4)c(-c4ccccc4)n3Cc3ccccc3)c12
FunctionalGroup,"The molecule has 3 benzene ring groups, 1 hydroxyl group, 1 amide group, 1 halo group, 1 thioether group, and 1 sulfide group.",O=C(CSc1n[nH]c(-c2cccc(Br)c2)[n+]1-c1ccccc1)NN=Cc1ccc(O)cc1
AddComponent,Please add a aldehyde to the molecule Cc1ccc(Br)cc1C(=O)NC(C)(C)CCC(=O)[O-].,Cc1ccc(Br)cc1C(=O)NC(C)(C)CC(CC=O)C(=O)[O-]
SubComponent,Modify the molecule halo by substituting a NNc1cc(OCC(F)F)nc(-c2ccccc2)n1 with a thiol.,NNc1cc(OCC(F)S)nc(-c2ccccc2)n1
DelComponent,Remove a Nc1ccsc1C(=O)N(Cc1ccccc1F)C1CC1 from the molecule amine.,O=C(c1cccs1)N(Cc1ccccc1F)C1CC1
LogP,Optimize the molecule CC(CO)S(=O)(=O)N1CCSCC1 to have a higher LogP value.,CC(=O)CC(C)S(=O)(=O)N1CCSCC1
MR,Please modify the molecule CC1(c2cccc(C(=O)N3CCSCC3)c2)CCSC(N)=[NH+]1 to decrease its MR value.,CC1(C(=O)N2CCSCC2)CCSC(N)=[NH+]1
QED,Modify the molecule c1ccc(C2(c3noc(NC4CC4)n3)CCOCC2)cc1 to have a lower QED value.,c1ccc(C2(c3noc(C4CC4)n3)CCOCC2)cc1
AtomNum,"The molecule has 18 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1ccc(NC(N)=[NH+]CC(C)(C)NC(=O)OC(C)(C)C)cc1C
BondNum,"Please generate a molecule with 17 single bonds, 1 double bond, 5 rotatable bonds, and 22 aromatic bonds.",COc1ccc(CN2C(=O)C(C)(C)Oc3cc(N(C)c4cc5c(ncn5C)c(N)n4)c(Cl)cc32)cc1
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c7c8ccc9ccccc9c8n8c9ccccc9c(cc65)c78)nc5oc6ccccc6c45)ccc32)cc1
AddComponent,Add a amine to the molecule CC(C)n1c(C[NH3+])nnc1Cc1cccc(F)c1F.,CC(C)n1c(C[NH3+])nnc1Cc1c(N)ccc(F)c1F
SubComponent,Please substitute a halo in the molecule C=CCn1c(-c2ccc(Cl)cc2)nn(C[NH+]2CCN(CC(=O)NCCC)CC2)c1=S with a hydroxyl.,C=CCn1c(-c2ccc(O)cc2)nn(C[NH+]2CCN(CC(=O)NCCC)CC2)c1=S
DelComponent,Modify the molecule halo by removing a CC(Cc1cccs1)N(C)c1ncc(Br)cc1F.,CC(Cc1cccs1)N(C)c1ccc(Br)cn1
LogP,Optimize the molecule C[NH+]=C(NCC(C)(C)Cc1cccc(Cl)c1)NCC1(OC)CCOCC1 to have a lower LogP value.,C[NH+]=C(NCC(C)(C)CCl)NCC1(OC)CCOCC1
MR,Please optimize the molecule NS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccsc2)C2CC2)c1 to have a higher MR value.,NS(=O)(=O)c1cccc(C(=O)N(Cc2ccsc2)C2CC2)c1
QED,Please optimize the molecule Cc1cccc(C(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c2ccccc2)c1 to have a higher QED value.,CC(NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCCNc1cc([N+](=O)[O-])cc(N2CCSC(C)(C)C2)n1
BondNum,"The molecule is composed of 16 single bonds, 1 double bond, and 11 rotatable bonds.",CCC(CC[NH3+])CCC(=O)NCC(CC)CCO
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 2 amine groups.",Nc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1
AddComponent,Add a carboxyl to the molecule Nc1cccc(OCCCn2ccc3ccc(O)cc3c2=O)c1.,Nc1ccc(C(=O)O)c(OCCCn2ccc3ccc(O)cc3c2=O)c1
SubComponent,Please substitute a nitrile in the molecule CSc1ccc(CO)c2scc(C#N)c12 with a carboxyl.,CSc1ccc(CO)c2scc(C(=O)[OH])c12
DelComponent,Please remove a Ic1nsc(C2COc3ccccc32)n1 from the molecule halo.,c1ccc2c(c1)OCC2c1ncns1
LogP,Please modify the molecule Cc1cc(Nc2ccc(F)cc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 to decrease its LogP value.,Cc1cc(-c2ccc(F)cc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1
MR,Modify the molecule COCCn1c(SCC(=O)NNC(=O)C(C)C)nnc1-c1ccco1 to decrease its MR value.,COCCn1c(SNC(=O)C(C)C)nnc1-c1ccco1
QED,Modify the molecule COC1(c2csc([S-])c2)CCN(CC(F)(F)F)C1 to have a lower QED value.,COC1(c2csc([S-])c2)CCN(CC(F)F)C1
AtomNum,"The molecule has 22 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",Cc1cccc(NC(=O)c2ccc3c(=O)[nH]c4c(C(=O)NC(C)C)sc(=S)n4c3c2)c1
BondNum,"There is a molecule consisting of 6 single bonds, 4 rotatable bonds, and 17 aromatic bonds.",CCCc1nc(Nc2ccc(Cl)cc2)c2ccccc2n1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ketone group, and 1 amide group.",CC(C(=O)C(C)C1(C)OCCO1)C(=O)N1C(=O)OCC1Cc1ccccc1
AddComponent,Add a benzene ring to the molecule O=S(=O)([O-])Oc1cc(O)cc(OS(=O)(=O)[O-])c1.,O=S(=O)([O-])Oc1cc(O)cc(OS(=O)(=O)[O-])c1-c1ccccc1
SubComponent,Modify the molecule Cc1nn(C)cc1C[NH+]1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1 by substituting a halo with a hydroxyl.,Cc1nn(C)cc1C[NH+]1CCCC(C(=O)c2cccc(C(O)(F)F)c2)C1
DelComponent,Remove a amine from the molecule CCn1cc(S(=O)(=O)Nc2cccc(C(C)C)c2)c(N)n1.,CCn1cc(S(=O)(=O)Nc2cccc(C(C)C)c2)cn1
LogP,Please optimize the molecule CCNC(=O)CN(C)C(=O)C1=NNC(=O)CC1 to have a higher LogP value.,CCNC(=O)CN(C)C(=O)C1=NC1
MR,Please modify the molecule CCC(C)OC(=O)CC(C#N)(CC(=O)[O-])c1ccc(F)c(F)c1 to increase its MR value.,CCC(C)OC(=O)CC(C#N)(CC(=O)[O-])c1ccc(O)c(F)c1
QED,Please modify the molecule CNC(=O)c1[nH]cnc1NN=C(C(=O)N1CCOCC1)C(N)=S to increase its QED value.,CNC(=O)c1[nH]cnc1NN=C(C(=O)N1CCOCC1c1ccccc1)C(N)=S
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)N1CC(NS(C)(=O)=O)C1
BondNum,"There is a molecule with 20 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",O=C([O-])c1cc(N2CC[NH+]3CC(F)CC3C2)c2c(C3CCC3)nn(-c3ccccc3)c2[nH+]1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ketone group, 1 amide group, 1 halo group, and 1 sulfide group.",CC(=O)N(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C1CC[NH2+]CC1
AddComponent,Add a thiol to the molecule CC=CC(=O)N(NC(=O)c1cccc(F)c1)C1CC(=O)N(c2cc(OC)ccc2OC)C1=O.,CC=CC(=O)N(NC(=O)c1cc(F)ccc1S)C1CC(=O)N(c2cc(OC)ccc2OC)C1=O
SubComponent,Please substitute a halo in the molecule O=C(CCn1c(=O)ccc2ccc(Br)cc21)NCC1CN(c2ccc3c(c2)OCCO3)C(=O)O1 with a thiol.,O=C(CCn1c(=O)ccc2ccc(S)cc21)NCC1CN(c2ccc3c(c2)OCCO3)C(=O)O1
DelComponent,Remove a benzene ring from the molecule COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)cc2c1.,COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)Cl)cc2c1
LogP,Please optimize the molecule O=[N+]([O-])c1cccc(-c2nccc(C=Cc3cc(Br)cs3)[n+]2[O-])c1 to have a lower LogP value.,O=[N+]([O-])c1cccc(-c2nccc(C=Cc3cccs3)[n+]2[O-])c1
MR,Modify the molecule COC(=O)C1(c2cc(F)ccc2OC)CC1C to have a higher MR value.,COC(=O)C1(c2ccccc2OC)CC1C
QED,Optimize the molecule COc1ccc(S(=O)(=O)Oc2ccc(O)c(C(C)(C)C)c2)cc1 to have a lower QED value.,CC(=O)c1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1C(C)(C)C
AtomNum,"The molecule contains 18 carbon atoms, and 6 nitrogen atoms.",CCC(C)Nc1cnnc(Nc2ccc(N3CCCCC3)cc2)n1
BondNum,"There is a molecule with 9 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cc1cnn(CC[NH2+]C(C)c2cc(F)cc(F)c2)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 4 halo groups, 2 thioether groups, 1 nitrile group, and 1 sulfide group.",N#CC(SCCC(F)(F)F)c1ccc(Cl)cc1
AddComponent,Modify the molecule COc1ccc(CCNC(=O)C(C#N)=CNc2cc(C)cc(C)c2)cc1 by adding a benzene ring.,COc1ccc(CCNC(=O)C(C#N)=CNc2cc(C)cc(C)c2)cc1-c1ccccc1
SubComponent,Substitute a halo in the molecule Cc1ccc(NC(C)(C(=O)[O-])C(F)(F)F)nc1 with a carboxyl.,Cc1ccc(NC(C)(C(=O)[O-])C(F)(F)C(=O)[OH])nc1
DelComponent,Please remove a amide from the molecule CC(C)C(NC(=O)Cc1ccccn1)C(=O)OC(C)(C)C.,CC(C)C(C(=O)OC(C)(C)C)c1ccccn1
LogP,Please optimize the molecule CCCC(C)C(=O)c1cc2cc(F)ccc2o1 to have a lower LogP value.,CCCC(C)C(=O)c1cc2cc(NO)ccc2o1
MR,Please modify the molecule CCOc1cc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC to decrease its MR value.,CCOc1ccc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC
QED,Please optimize the molecule CC(=NOC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C to have a lower QED value.,CC(=NOC(=O)[N+](=O)[O-])C(C)(C)C
AtomNum,"The molecule is composed of 34 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CCNC(=O)C(Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1
BondNum,"There is a molecule with 13 single bonds, 10 rotatable bonds, and 6 aromatic bonds.",CCCCCCP(CCCC)c1ccccc1CC
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",CCC(C(=O)NCC1=CC[NH2+]CC1)c1ccccc1
AddComponent,Add a hydroxyl to the molecule CCCC1CCCC[NH+]1Cc1ccoc1C(=O)[O-].,CCCC1C(O)CCC[NH+]1Cc1ccoc1C(=O)[O-]
SubComponent,Substitute a hydroxyl in the molecule NC1=[NH+]c2nc[nH]c2C([NH2+]C2CC2)N1C1CC(O)C(O)C(O)C(CO)O1 with a nitrile.,N#CC1CC(N2C(N)=[NH+]c3nc[nH]c3C2[NH2+]C2CC2)OC(CO)C(O)C1O
DelComponent,Please remove a halo from the molecule Nc1ccc(Cl)c(-c2nc(-c3cc(F)cc(Br)c3)no2)c1.,Nc1cccc(-c2nc(-c3cc(F)cc(Br)c3)no2)c1
LogP,Modify the molecule N#Cc1cccc(NC(=O)Nc2ccccc2-c2ccccc2)c1[O-] to have a higher LogP value.,O=C(Nc1ccccc1-c1ccccc1)Nc1cccc(F)c1[O-]
MR,Please optimize the molecule CC(C)(C#N)CCN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21 to have a higher MR value.,CC(=O)C(C)(C)CCN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21
QED,Optimize the molecule Cc1cc(Oc2c(F)cccc2CO)ccc1Cl to have a lower QED value.,Cc1cc(Oc2c(CO)cccc2NO)ccc1Cl
AtomNum,"There is a molecule with 11 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",[NH3+]CCc1noc(CCC2CCCC2)n1
BondNum,"There is a molecule with 31 single bonds, 1 double bond, 11 rotatable bonds, and 18 aromatic bonds.",CC=CCCc1ccc(C2CCC(CCC3CCC(c4ccc(-c5ccc(OCC)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,CC[NH+](CC)Cc1ccc(C(c2ccccc2)[NH+](C)C)n1C
AddComponent,Modify the molecule CCC(C)N(CC)c1nc(C)ccc1C#N by adding a hydroxyl.,CCC(C)N(CC)c1nc(C)c(O)cc1C#N
SubComponent,Substitute a N#CC(=C[NH+]1CCN(C=O)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl in the molecule halo with a nitrile.,N#CC(=C[NH+]1CCN(C=O)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1C#N
DelComponent,Please remove a C=CCN(C(=O)c1cncc(Br)c1I)c1ccc(N2CC(C)OC(C)C2)cc1 from the molecule halo.,C=CCN(C(=O)c1cncc(Br)c1)c1ccc(N2CC(C)OC(C)C2)cc1
LogP,Modify the molecule O=C(NCC(=O)N1CCCCC1)c1nnc2ccccc2n1 to have a lower LogP value.,O=C(NCC(=O)N1CCCCC1)c1nnc2cccc(O)c2n1
MR,Please optimize the molecule Cc1ccncc1CNc1ccc(-n2ccnc2C)nc1 to have a lower MR value.,Cc1ccncc1Cc1ccc(-n2ccnc2C)nc1
QED,Modify the molecule Cc1cc(I)cc(C)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 to have a lower QED value.,Cc1cc(I)cc(C)c1N1C(=O)COc2ccc(Cl)cc21
AtomNum,"There is a molecule with 21 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CC(C)(C)c1nc2cc(NC(=O)Cn3cnc4ccccc4c3=O)ccc2o1
BondNum,"There is a molecule consisting of 9 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",COc1cc(C(N)=[NH2+])ccc1OCc1ccc(Br)cc1F
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 4 halo groups.",CCC(=O)NC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21
AddComponent,Add a aldehyde to the molecule CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cs2)c1.,CC(=O)Nc1cc(NC(=O)CSc2nc(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cs2)ccc1CC=O
SubComponent,Please substitute a hydroxyl in the molecule O=C(CC1CC2CCC1O2)Nc1ccncc1O with a thiol.,O=C(CC1CC2CCC1O2)Nc1ccncc1S
DelComponent,Modify the molecule CC(C)S(=O)(=O)c1ccccc1Nc1[nH]c(NC2CCC([NH3+])CC2)nc(=O)c1C(N)=O by removing a benzene ring.,CC(C)S(=O)(=O)Nc1[nH]c(NC2CCC([NH3+])CC2)nc(=O)c1C(N)=O
LogP,Modify the molecule O=C(c1ccnc(Cl)c1)N1CC[NH+]2CCCC2C1 to decrease its LogP value.,O=C(c1ccncc1)N1CC[NH+]2CCCC2C1
MR,Please optimize the molecule O=C(Nc1cccc2cccnc12)c1cc2cccc(Br)c2o1 to have a lower MR value.,ONc1cccc2cc(C(=O)Nc3cccc4cccnc34)oc12
QED,Modify the molecule CC1OC(OC2C(CO)OC(OCC3OC(OC4CCC5(C)C(CCC6(C)C5C=CC5=C7CC(C)(C)CCC7(CO)C(O)CC56C)C4(C)C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O to have a lower QED value.,CC1OC(OC2C(CS)OC(OCC3OC(OC4CCC5(C)C(CCC6(C)C5C=CC5=C7CC(C)(C)CCC7(CO)C(O)CC56C)C4(C)C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1[nH]c2ccccc2c1CNS(=O)(=O)c1ccccc1
BondNum,"Please generate a molecule with 14 single bonds, 3 double bonds, 5 rotatable bonds, and 21 aromatic bonds.",COc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCN(C(=O)c2cc4ccccc4s2)C3)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 ketone group, and 1 amide group.",COc1ccc(OCC[NH+]2CC(=O)c3ccc(C(=O)NO)cc3C2)cc1
AddComponent,Modify the molecule CCN(CC)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cn1 by adding a carboxyl.,CCN(CCC(=O)O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cn1
SubComponent,Modify the molecule Nc1ncccc1OCc1cc(F)ccc1F by substituting a halo with a nitro.,Nc1ncccc1OCc1cc(NO)ccc1F
DelComponent,Remove a CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)Cc2csc(-c3cccs3)n2)CC1 from the molecule amide.,CC(C)(C)OC(=O)N1CC[NH+](CCCc2csc(-c3cccs3)n2)CC1
LogP,Please optimize the molecule O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCC(c2ccccc2)=N1 to have a lower LogP value.,O=C([OH])c1cnn(CC(=O)N2CCC(c3ccccc3)=N2)c(=O)c1Cl
MR,Please modify the molecule CCC(CNC(=O)C[NH+]1CCN(Cc2cc(F)ccc2OC)CC1)c1ccccc1 to decrease its MR value.,CCC(CNC(=O)C[NH+]1CCN(C(F)OC)CC1)c1ccccc1
QED,Optimize the molecule Cc1cc2ncc(C[NH2+]Cc3ccccc3Br)cn2n1 to have a lower QED value.,Cc1cc2ncc(C[NH2+]CBr)cn2n1
AtomNum,"The molecule has 12 carbon atoms, and 2 oxygen atoms.",COCC1=C(C)c2ccccc2C1O
BondNum,"There is a molecule consisting of 12 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 1 amine group, and 3 halo groups.",Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)c1
AddComponent,Modify the molecule Cn1ccnc1-c1cc(CC2CCCN(C(=O)c3n[nH]c4ccccc34)C2)ncn1 by adding a amine.,Cn1ccnc1-c1cc(CC2CCCN(C(=O)c3n[nH]c4ccccc34)C2)nc(N)n1
SubComponent,Substitute a halo in the molecule CC(c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+](C)Cc1ccc(Br)o1 with a aldehyde.,CC(=O)C(F)(F)c1cccc(-c2noc(C(C)[NH+](C)Cc3ccc(Br)o3)n2)c1
DelComponent,Remove a COc1cc(CN(CCNC(=O)[O-])C(=O)c2ccc(F)cc2)ccc1OCc1ccccc1 from the molecule benzene ring.,COC(OCc1ccccc1)N(CCNC(=O)[O-])C(=O)c1ccc(F)cc1
LogP,Optimize the molecule Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1Sc1ccc(Br)cn1 to have a higher LogP value.,Cc1cccc(C)c1NC(=O)c1ccccc1Sc1ccc(Br)cn1
MR,Modify the molecule O=C(NCc1ccc2c(c1)C[NH2+]C2)C1CC12CCCc1ccccc12 to have a higher MR value.,NC1CCC2(CC2C(=O)NCc2ccc3c(c2)C[NH2+]C3)c2ccccc21
QED,Modify the molecule CCc1c(C#N)c(Cl)nc(N2CCC3(CC2)CNC(=O)O3)c1C#N to have a lower QED value.,CC(=O)c1c(Cl)nc(N2CCC3(CC2)CNC(=O)O3)c(C#N)c1CC
AtomNum,"There is a molecule with 13 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",Cc1cccc(OC2CCCC([NH3+])C2)c1[N+](=O)[O-]
BondNum,"Please generate a molecule consisting 10 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CN(C)c1ccccc1C1(N=C=O)CCCC1
FunctionalGroup,The molecule contains and 3 amine groups.,CCCCOCCNc1cc(N)nc(N)n1
AddComponent,Please add a benzene ring to the molecule CCCCOc1ccc(CCCN(O)C(C)=O)cc1.,CCCCOc1ccc(CCCN(O)C(C)=O)cc1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 with a thiol.,Cc1ccc(Nc2nc(-c3ccc(S)cc3Cl)nc3ccccc23)cc1
DelComponent,Modify the molecule CCOc1ccc2scc(O)c2c1OC by removing a hydroxyl.,CCOc1ccc2sccc2c1OC
LogP,Please optimize the molecule COc1cc2c3c(c1O)COc1ccc(cc1)CC1=NCCc4cc(OC)c(c(O)c41)OCc1ccc(cc1)CC3[NH+](C)CC2 to have a higher LogP value.,COc1cc2c3c(c1C#N)COc1ccc(cc1)CC1=NCCc4cc(OC)c(c(O)c41)OCc1ccc(cc1)CC3[NH+](C)CC2
MR,Optimize the molecule Nc1ccc(-c2nc(CCc3ccccc3)no2)s1 to have a lower MR value.,c1ccc(CCc2noc(-c3cccs3)n2)cc1
QED,Please optimize the molecule CC[NH+]1CC(C)N(C(=O)Nc2cc(C3CC3)n(C)n2)CC1C to have a lower QED value.,CC1C[NH+](CCO)C(C)CN1C(=O)Nc1cc(C2CC2)n(C)n1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1cncc(C(=O)c2ccc3nccnc3c2)c1
BondNum,"There is a molecule consisting of 9 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CC(C)N(Cc1ccccn1)C(=O)c1cc(Cl)nnc1Cl
FunctionalGroup,"The molecule contains 6 benzene ring groups, and 4 ester groups.",CC(CC(C(=O)OC(C)(C)C)C1C(=O)OOC(=O)C(C(CC(C)c2ccccc2)C(=O)OC(C)(C)C)C(c2ccccc2)CC(C(=O)OC(C)(C)C)C(CC(c2ccccc2)C(C)(C)C)C(=O)OOC(=O)C(CC(c2ccccc2)C(C)(C)C)C(C(=O)OC(C)(C)C)CC1c1ccccc1)c1ccccc1
AddComponent,Please add a benzene ring to the molecule COc1cc(N(CC[NH+](C)C)S(C)(=O)=O)c([N+](=O)[O-])cc1Nc1nccc(-n2cc(CO)c3ccccc32)n1.,COc1cc(N(CC[NH+](C)C)S(C)(=O)=O)c([N+](=O)[O-])cc1Nc1nccc(-n2cc(CO)c3c(-c4ccccc4)cccc32)n1
SubComponent,Please substitute a halo in the molecule COc1ccc(N(C(=O)Nc2ccc(F)cc2)C(C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)OCC[NH+]3CCSCC3)CC2)c(OC)c1 with a hydroxyl.,COc1ccc(N(C(=O)Nc2ccc(O)cc2)C(C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)OCC[NH+]3CCSCC3)CC2)c(OC)c1
DelComponent,Modify the molecule halo by removing a CC(C)n1c(C(C)(C)[NH3+])nc2c(F)cccc21.,CC(C)n1c(C(C)(C)[NH3+])nc2ccccc21
LogP,Optimize the molecule Cc1ccc(CN(C)C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 to have a lower LogP value.,CCN(C)C(=O)NCc1ccc(N2CCOCC2)nc1
MR,Modify the molecule CC(C)(C)CNC(=O)c1cccc(CCl)c1 to have a higher MR value.,CC(C)(C)CNC(=O)c1cccc(CS)c1
QED,Please modify the molecule CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2CC)sc(C(C)=O)c1C to increase its QED value.,CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)sc(C(C)=O)c1C
AtomNum,"Please generate a molecule with 11 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Nc1nc(OCC2CCC[NH2+]C2)c2[nH]cnc2n1
BondNum,"There is a molecule with 7 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC(O)C=C(I)COc1ccccc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 ketone group, 1 amine group, and 1 halo group.",CC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(OCc3ccccc3Cl)cc1)N2
AddComponent,Please add a thiol to the molecule Cc1ccc(C(C)C)c(N2C(=[NH+]C(=O)NC3CCC(c4ccc(-c5ncn(-c6ccc(OC(F)(F)F)cc6)n5)cc4)C3)SCCC2C)c1.,Cc1ccc(C(C)C)c(N2C(=[NH+]C(=O)NC3CCC(c4ccc(-c5ncn(-c6ccc(OC(F)(F)F)cc6)n5)cc4)C3)SCCC2C)c1S
SubComponent,Substitute a halo in the molecule Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ncc[nH]1 with a nitrile.,Cc1cc(C(F)(F)C#N)ccc1C[NH2+]Cc1ncc[nH]1
DelComponent,Please remove a amide from the molecule Cc1cc(C[NH3+])c(NC(=O)C2CC2)s1.,CCc1sc(C)cc1C[NH3+]
LogP,Modify the molecule Cc1sccc1NC(=O)C(F)(F)F to have a lower LogP value.,Cc1sccc1NC(=O)C(O)(F)F
MR,Please modify the molecule FC(F)(F)Oc1ccccc1CNc1ccc2c(NCc3ccc4nc[nH]c4c3)cccc2n1 to decrease its MR value.,FC(F)Oc1ccccc1CNc1ccc2c(NCc3ccc4nc[nH]c4c3)cccc2n1
QED,Please modify the molecule COc1ccccc1CS(=O)(=O)NS(=O)(=O)c1ccc(C[NH3+])cc1 to increase its QED value.,COc1ccccc1CS(=O)(=O)S(=O)(=O)c1ccc(C[NH3+])cc1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Nc1cccc(-c2nnc(-c3ccc[nH]c3=O)o2)c1
BondNum,"Please generate a molecule consisting 13 single bonds, 3 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",CCOP(=O)(CC)Oc1ccc(CCNC(=O)c2cnc(-c3ccccn3)[nH]c2=O)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 amine groups, and 1 sulfone group.",COc1cccc(CCNc2ccc(NS(=O)(=O)N(C)C)cc2)c1
AddComponent,Add a carboxyl to the molecule Cc1ccc(SC2=C([NH+]3CC(C)CC(C)C3)C(=O)N(c3ccc(C)cc3)C2=O)cc1.,Cc1ccc(SC2=C([NH+]3CC(C)CC(C)(C(=O)O)C3)C(=O)N(c3ccc(C)cc3)C2=O)cc1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1O with a thiol.,Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1S
DelComponent,Please remove a COCC(=O)N1CCCc2ccc(NS(=O)(=O)C3CC3)cc21 from the molecule amine.,COCC(=O)N1CCCc2ccc(S(=O)(=O)C3CC3)cc21
LogP,Please modify the molecule CC(C)(C)S(=O)(=O)CCN(Cc1cccc(N)c1)C1CC1 to decrease its LogP value.,CC(C)(C)S(=O)(=O)CCN(CN)C1CC1
MR,Modify the molecule Cc1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1F to increase its MR value.,Cc1c(O)cc(C(=O)N(CCC#N)Cc2cccnc2)cc1F
QED,Please modify the molecule O=C(CNC(=O)c1ccc(Cl)cc1)NC(CO)C(=O)[O-] to increase its QED value.,CC(NC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)[O-]
AtomNum,"There is a molecule composed of 16 carbon atoms, 3 nitrogen atoms, and 1 fluorine atom.",CN(CC(C(N)=[NH2+])c1ccccc1)c1cccc(F)c1
BondNum,"Please generate a molecule consisting 10 single bonds, 3 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)C(C)c2ccccc2)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ester group, 1 amine group, and 1 nitro group.",COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])cc3N)no2)cc1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1.,Cc1ccc(Cc2ccccc2)cc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
SubComponent,Substitute a halo in the molecule N#Cc1cc(CC(=O)[O-])c(CCl)nc1OC(F)(F)F with a nitrile.,N#CCc1nc(OC(F)(F)F)c(C#N)cc1CC(=O)[O-]
DelComponent,Please remove a halo from the molecule CCC(C)C1(O)C2CC3CC1CC(COCC(F)(F)SOOO)(C3)C2.,CCC(C)C1(O)C2CC3CC1CC(COCC(F)SOOO)(C3)C2
LogP,Modify the molecule CC(=Nc1cccc(OC(F)(F)C(F)F)c1)C1C(=O)c2ccccc2C1=O to have a lower LogP value.,CC(=Nc1cccc(OC(F)C(F)F)c1)C1C(=O)c2ccccc2C1=O
MR,Modify the molecule COc1ccc(C[NH+]2CCc3cnc(-c4ccccc4)nc3C2)cc1 to decrease its MR value.,COc1ccc(C[NH+]2CCc3cncnc3C2)cc1
QED,Please optimize the molecule COC(C[NH3+])C(=O)N(C)c1ccccc1C#N to have a higher QED value.,COC(C[NH3+])C(=O)N(C)c1ccccc1Br
AtomNum,"The molecule contains 21 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2cccc3ccccc23)cc1
BondNum,"There is a molecule with 11 single bonds, 3 double bonds, 1 triple bond, 6 rotatable bonds, and 18 aromatic bonds.",COc1cc(C=C(C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(=O)c1ccccc1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, 3 amine groups, 2 halo groups, and 1 sulfone group.",C=Nc1c(C(=O)Nc2c(F)ccc(NS(=O)(=O)CC(C)C)c2Cl)cccc1C(N)=[NH+]C
AddComponent,Modify the molecule CCC(C)NC(=O)NC(=O)C[NH+](C)CC(=O)Nc1ccccc1Cl by adding a hydroxyl.,CC(O)C(C)NC(=O)NC(=O)C[NH+](C)CC(=O)Nc1ccccc1Cl
SubComponent,Substitute a CCOC(=O)C(C)([NH3+])c1cc(Cl)ccc1OCC in the molecule halo with a nitro.,CCOC(=O)C(C)([NH3+])c1cc(NO)ccc1OCC
DelComponent,Please remove a halo from the molecule Nc1ccc(F)c(C(=O)NCC2CCOC2)c1.,Nc1cccc(C(=O)NCC2CCOC2)c1
LogP,Please optimize the molecule O=[N+]([O-])c1ccccc1C=NNc1ccc(C(F)(F)F)cc1 to have a lower LogP value.,O=[N+]([O-])c1ccccc1C=NNC(F)(F)F
MR,Modify the molecule CC1=NC2CCCCC2N=C(C)C(=Cc2ccc(O)cc2)C(C)=NC2CCCCC2N=C(C)C1=Cc1ccc(O)cc1 to have a higher MR value.,CC1=NC2CCCCC2N=C(C)C(=Cc2ccc(O)cc2)C(C)=NC2CC(c3ccccc3)CCC2N=C(C)C1=Cc1ccc(O)cc1
QED,Optimize the molecule CS(=O)(=O)c1ccc(CN2C(=O)NC3(CC[NH+](CCC(NC(=O)c4cccnc4)c4ccccc4)CC3)C2=O)cc1 to have a higher QED value.,CS(=O)(=O)c1ccc(C2CC[NH+](CCC(NC(=O)c3cccnc3)c3ccccc3)CCNC2=O)cc1
AtomNum,"The molecule is composed of 23 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(OCc4cccc(Cl)c4)cc23)CC1
BondNum,"Please generate a molecule composed of 17 single bonds, 5 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",COC(C)COC(=O)c1cccc(C(=O)OCC(C)OC(=O)C=CC(C)=O)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ketone group, 1 amide group, 3 halo groups, 2 thioether groups, and 2 sulfide groups.",CCc1cc(C(=O)c2ccc(OC(F)(F)F)cc2)c(NC(=O)CSC(CC)C(=O)[O-])s1
AddComponent,Modify the molecule CCOC(=NCl)C1CCC1 by adding a carboxyl.,CCOC(=NCl)C1(C(=O)O)CCC1
SubComponent,Please substitute a hydroxyl in the molecule OCC[NH2+]CCNc1nc(NCCc2ccc(O)cc2)nc(C(CO)(CO)CO)n1 with a nitrile.,N#CCC[NH2+]CCNc1nc(NCCc2ccc(O)cc2)nc(C(CO)(CO)CO)n1
DelComponent,Modify the molecule benzene ring by removing a c1ccc(P(c2ccccc2)c2ccccc2CCC2CCCP2c2ccccc2)cc1.,c1ccc(P(CCC2CCCP2c2ccccc2)c2ccccc2)cc1
LogP,Optimize the molecule C=C(C=CCC)n1cc([O-])c(=O)cc1C(O)Cc1ccccc1 to have a lower LogP value.,C=C(C=CCC)n1cc([O-])c(=O)cc1C(C)O
MR,Modify the molecule O=C(NCC(=O)N1CCC(NC(=O)c2ccco2)CC1)c1ccccc1 to have a lower MR value.,O=CNCC(=O)N1CCC(NC(=O)c2ccco2)CC1
QED,Modify the molecule c1coc(C2OCC3CON=C32)c1 to increase its QED value.,Oc1coc(C2OCC3CON=C32)c1
AtomNum,"The molecule consists of 20 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 iodine atom.",O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1I
BondNum,"The molecule has 31 single bonds, 5 double bonds, 12 rotatable bonds, and 24 aromatic bonds.",Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2cc(NC(=O)c3ccccc3C)ccc2Cl)C(C)C)CC1
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,[NH3+]C1(C(=O)NCCc2c[nH]c3ccccc23)CCCC1
AddComponent,Add a hydroxyl to the molecule CCc1ccc(-c2cn3c(C)cc(C)nc3[nH+]2)cc1.,CCc1ccc(-c2cn3c(C)cc(C)nc3[nH+]2)cc1O
SubComponent,Modify the molecule nitrile by substituting a N#CCOc1cccc2c1OCC2 with a thiol.,SCOc1cccc2c1OCC2
DelComponent,Modify the molecule CCCCOCC1CC(n2cnc3c(N)ncnc32)C1=O by removing a amine.,CCCCOCC1CC(n2cnc3cncnc32)C1=O
LogP,Optimize the molecule O=S(=O)(NCC1Cc2ccccc21)c1ccccc1Br to have a lower LogP value.,O=S(=O)(NCC1Cc2ccccc21)c1ccccc1S
MR,Modify the molecule CC(C(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl)[NH+]1CCC(C(=O)NCCC(=O)Nc2cccc(C(=O)Nc3ccccc3F)c2)CC1 to increase its MR value.,CC(C(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl)[NH+]1CCC(O)(C(=O)NCCC(=O)Nc2cccc(C(=O)Nc3ccccc3F)c2)CC1
QED,Modify the molecule COc1ccc2c(c1OC)C(=O)N(CCC[NH+](C)CCc1ccccn1)C2 to have a lower QED value.,COc1ccc2c(c1OC)C(=O)N(CCC[NH+](C)CCc1cccc(-c3ccccc3)n1)C2
AtomNum,"Please generate a molecule with 24 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
BondNum,"The molecule consists of 14 single bonds, 2 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",NC(=O)Nc1cc(-c2cccc(F)c2)nn1-c1ccc(CC(=O)NCC(O)CO)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, 1 thioether group, and 2 sulfide groups.",CC(Sc1nnc(NCC2CCCO2)s1)c1nnc(-c2ccccc2)o1
AddComponent,Add a amine to the molecule CC[NH2+]C1CCCC1c1cncc(OCC)c1.,CC[NH2+]C1C(N)CCC1c1cncc(OCC)c1
SubComponent,Modify the molecule halo by substituting a CN1CC[NH2+]CC1c1noc(-c2csc(Cc3ccc(F)cc3)n2)n1 with a carboxyl.,CN1CC[NH2+]CC1c1noc(-c2csc(Cc3ccc(C(=O)[OH])cc3)n2)n1
DelComponent,Please remove a benzene ring from the molecule CC(CC(F)(F)F)P(=O)([O-])c1ccccc1F.,CC(CC(F)(F)F)P(=O)([O-])F
LogP,Modify the molecule Nc1nc(Cl)c(-c2cc3cc(-c4nc5ccccc5o4)ccc3o2)c(NC2CCC(CO)C2)n1 to have a lower LogP value.,Nc1nc(NC2CCC(CO)C2)c(-c2cc3cc(-c4nc5ccccc5o4)ccc3o2)c(C(=O)[OH])n1
MR,Please modify the molecule Cc1noc(C)c1CN(C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] to increase its MR value.,Cc1noc(C)c1CN(C)c1cc(-c2ccccc2)cc(S(C)(=O)=O)c1[N+](=O)[O-]
QED,Please modify the molecule Cc1ccc(C[NH2+]C(C)CC[NH3+])c(Br)c1 to decrease its QED value.,Cc1ccc(C[NH2+]C(C)CC[NH3+])cc1
AtomNum,"There is a molecule composed of 30 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",O=C(CCc1nnc2n(Cc3ccc(Cl)cc3)c(=O)c3ccccc3n12)N1CC[NH+](Cc2ccccc2)CC1
BondNum,"There is a molecule with 7 single bonds, 7 rotatable bonds, and 65 aromatic bonds.",c1ccc(N(c2ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2)c2ccc3ccccc3c2)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, 2 halo groups, and 1 sulfone group.",O=S(=O)(NCC1COC2(CCCCC2)O1)c1cc(F)ccc1F
AddComponent,Add a benzene ring to the molecule CCOc1ccccc1NC(=O)N1CCCC1c1nc(-c2cccc(OC)c2)no1.,COc1cccc(-c2noc(C3CCCN3C(=O)Nc3ccccc3OC(C)c3ccccc3)n2)c1
SubComponent,Please substitute a halo in the molecule Cn1cc(C2CC2C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cn1 with a nitrile.,Cn1cc(C2CC2C(=O)N(Cc2ccccc2)c2nc(-c3ccc(C#N)cc3)cs2)cn1
DelComponent,Please remove a amine from the molecule C[NH+]=C(NCC(C1CCCCC1)[NH+](C)C)NC1CCN(c2cccs2)CC1.,C[NH+]=C(CC(C1CCCCC1)[NH+](C)C)NC1CCN(c2cccs2)CC1
LogP,Optimize the molecule O=C(C#Cc1ccccc1)Nc1cccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1 to have a lower LogP value.,Nc1cc(Nc2nccc(Sc3cccc(NC(=O)C#Cc4ccccc4)c3)n2)ccc1N1CCOCC1
MR,Optimize the molecule C[NH2+]C1CCC(O)(Cc2nn(C)c3ccccc23)CC1 to have a lower MR value.,C[NH2+]C1CCC(Cc2nn(C)c3ccccc23)CC1
QED,Modify the molecule CC[NH+](CC)CC(O)CNC(=O)c1ccc(C#Cc2c(N)ncc3ccc(Cl)cc23)cn1 to have a higher QED value.,CC[NH+](CC)CC(O)CNC(=O)c1ccc(C#Cc2cncc3ccc(Cl)cc23)cn1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC[NH+](Cc1ccccc1C)Cc1ccc(N)cc1F
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1C(F)(F)F
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 hydroxyl group.",CCC(C)(CCO)[NH2+]Cc1ccc(CC(=O)[O-])cc1
AddComponent,Please add a benzene ring to the molecule O=C(C=Cc1ccccc1)OCc1ccc2c(c1)OCO2.,O=C(C=Cc1cccc(-c2ccccc2)c1)OCc1ccc2c(c1)OCO2
SubComponent,Please substitute a halo in the molecule CC(C#N)S(=O)(=O)Nc1ccc(C#CCO)c(F)c1 with a nitro.,CC(C#N)S(=O)(=O)Nc1ccc(C#CCO)c(NO)c1
DelComponent,Please remove a C[NH+]=C(NCc1cccc(-n2ccnc2)c1)N1CCN(c2ccccn2)CC1 from the molecule benzene ring.,C[NH+]=C(NCn1ccnc1)N1CCN(c2ccccn2)CC1
LogP,Optimize the molecule CC1C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1 to have a lower LogP value.,CC1C(C=CCl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1
MR,Modify the molecule COCCOC(=O)C(=Cc1cccc(O)c1)C(C)=O to decrease its MR value.,COCCOC(=O)C(=CO)C(C)=O
QED,Modify the molecule COC(=O)c1cc2scc(CCl)c2cc1C to increase its QED value.,CC(=O)Cc1csc2cc(C(=O)OC)c(C)cc12
AtomNum,"There is a molecule composed of 15 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCOC(=O)CN(CC)C(=O)c1coc2ccccc12
BondNum,"The molecule is composed of 13 single bonds, 2 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",Cc1csc(NC(=O)c2sc(CNC(=O)OC(C)(C)C)nc2C)n1
FunctionalGroup,"Please generate a molecule composed of 2 thioether groups, and 1 sulfide group.",CCSC1(C(=O)[O-])CCC1C
AddComponent,Modify the molecule CC(=O)Nc1cc(N(CCO)CCO)ccc1N=Nc1nc(N2CCCCC2)c(C=C2C(=O)c3ccccc3C2=O)s1 by adding a benzene ring.,CC(=O)Nc1cc(N(CCO)CCO)ccc1N=Nc1nc(N2CCCC(c3ccccc3)C2)c(C=C2C(=O)c3ccccc3C2=O)s1
SubComponent,Modify the molecule nitrile by substituting a CSC1=C(C#N)C(c2ccccc2)C(C(C)=O)C(C)=N1 with a thiol.,CSC1=C(S)C(c2ccccc2)C(C(C)=O)C(C)=N1
DelComponent,Remove a halo from the molecule COC1=CC(=O)C=C(C)C12Oc1c(Cl)c(OC)cc([O-])c1C2=O.,COC1=CC(=O)C=C(C)C12Oc1cc(OC)cc([O-])c1C2=O
LogP,Optimize the molecule O=C(c1ccccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(Cl)c(Cl)c(Br)c1C(=O)c1ccccc1O to have a higher LogP value.,O=C(c1cc(-c2ccccc2)ccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(Cl)c(Cl)c(Br)c1C(=O)c1ccccc1O
MR,Modify the molecule N#Cc1ccc(NCC2(C(=O)[O-])CCCC2)cc1 to have a higher MR value.,CC(=O)c1ccc(NCC2(C(=O)[O-])CCCC2)cc1
QED,Please modify the molecule CCC(CO)C(=O)Nc1cccc(Cl)c1 to decrease its QED value.,CCC(C)C(=O)Nc1cccc(Cl)c1
AtomNum,"The molecule consists of 20 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",COc1ccccc1-n1cnnc1SCC(=O)NCC(=O)Nc1ccc(Br)cc1C
BondNum,"There is a molecule consisting of 10 single bonds, 3 double bonds, 7 rotatable bonds, and 23 aromatic bonds.",O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
FunctionalGroup,"The molecule is composed of 1 thioether group, and 1 sulfide group.",CCOC(CSc1nc2ccc(OC)cc2[nH]1)OCC
AddComponent,Add a thiol to the molecule CN(Cc1cnn(C)c1)C(=O)NCCc1ccc(Cl)cc1.,Cn1cc(CN(CS)C(=O)NCCc2ccc(Cl)cc2)cn1
SubComponent,Please substitute a halo in the molecule NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CN(C4CC[NH2+]C4)C3)cc2)c1C1N[NH2+][NH2+]N1 with a thiol.,NS(=O)(=O)c1c(C(F)(F)S)ccc(-c2ccc(C3CN(C4CC[NH2+]C4)C3)cc2)c1C1N[NH2+][NH2+]N1
DelComponent,Modify the molecule amine by removing a CCC(Oc1ccc(C)cc1)c1nc(N)nc(C)c1C(=O)NN.,CCC(Oc1ccc(C)cc1)c1ncnc(C)c1C(=O)NN
LogP,Modify the molecule O=C(N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)B(O)OC4)ccc21)C(F)(F)F to have a lower LogP value.,ONB1OCc2ccc(NS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C(F)(F)F)cc21
MR,Modify the molecule CCOc1ccc(C(CCO)[NH2+]C)cc1C(C)C to decrease its MR value.,CCOc1ccc(C(CC)[NH2+]C)cc1C(C)C
QED,Please optimize the molecule C=CC[NH+](CCCNC(=O)C(F)(F)F)CCC[NH2+]CCCCN(CCCNC(=O)OC(C)(C)C)S(=O)(=O)CC[Si](C)(C)C to have a lower QED value.,C=CC[NH+](CCCNC(=O)C(F)(F)F)CCC[NH2+]C(CCCN(CCCNC(=O)OC(C)(C)C)S(=O)(=O)CC[Si](C)(C)C)c1ccccc1
AtomNum,"The molecule is composed of 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",CCOC(=O)C1(Nc2ccccc2Cl)CCC(CC)C1
BondNum,"Please generate a molecule consisting 16 single bonds, 2 double bonds, and 1 rotatable bond.",COC(=O)C1CC([NH3+])CN(C(=O)OC(C)(C)C)C1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ketone group, 1 thioether group, and 1 sulfide group.",CC1(CSc2ccccc2)CCC(=O)C1
AddComponent,Modify the molecule CC(Sc1cccc(Br)c1)C(=O)N1c2ccccc2NC(=O)C1(C)C by adding a hydroxyl.,CC(Sc1cccc(Br)c1)C(=O)N1c2cccc(O)c2NC(=O)C1(C)C
SubComponent,Substitute a halo in the molecule Nc1nc(NCCCC2CC2)c(Cl)cc1Cl with a hydroxyl.,Nc1nc(NCCCC2CC2)c(O)cc1Cl
DelComponent,Please remove a amide from the molecule CCCNC(=O)c1ccccc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(C)cc(C)c2)CC1.,CCCNC(=O)c1ccccc1NC(=O)C(C)[NH+]1CCC(C(C)C(=O)Nc2cc(C)cc(C)c2)C1
LogP,Modify the molecule CSCc1cc(F)ccc1CNc1cc(N2CCN(C)C(=O)C2)ncn1 to have a lower LogP value.,CSCc1cc(NO)ccc1CNc1cc(N2CCN(C)C(=O)C2)ncn1
MR,Please optimize the molecule O=C1C2CC3CC(C2)CC1(O)C3 to have a lower MR value.,O=C1C2CC3CC(C2)CC1C3
QED,Modify the molecule O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1 to have a lower QED value.,Nc1ccc(Cl)c(-c2cc(NC3CCN(C(=O)CN4C(=O)c5ccccc5C4=O)CC3)n3ncc(Br)c3n2)c1
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",N#CC1(CS(=O)(=O)N2CC(c3cccc(Cl)c3)C2)CCCC1
BondNum,"The molecule is composed of 12 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",Cc1ncsc1C[NH+]1CC2C[NH2+]CC2C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 halo group.",CCC[NH+](C)CCCCCc1cc2c(cc1F)N(OC(=O)Oc1ccccc1)CC2
AddComponent,Add a amine to the molecule C[NH+](C)C(C)(C)COc1ccnc2c(N)cccc12.,C[NH+](CN)C(C)(C)COc1ccnc2c(N)cccc12
SubComponent,Substitute a ClC12CCCC(Cl)(OO1)O2 in the molecule halo with a aldehyde.,CC(=O)C12CCCC(Cl)(OO1)O2
DelComponent,Please remove a nitrile from the molecule N#Cc1ccccc1-n1c2ccccc2c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3C#N)ccc21.,N#Cc1ccccc1-n1c2ccccc2c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)ccc21
LogP,Please optimize the molecule CCc1cc2c(Cl)nc(N3CCCCC3C)nc2s1 to have a lower LogP value.,CC(O)c1cc2c(Cl)nc(N3CCCCC3C)nc2s1
MR,Modify the molecule CC=CC1CCC(c2ccc(-c3ccc(-c4ccc(CCCCCCCC)c(F)c4F)cc3)c(F)c2F)OC1 to have a higher MR value.,CC=CC1CCC(c2ccc(-c3ccc(-c4ccc(CCCCCCCC)cc4F)cc3)c(F)c2F)OC1
QED,Please optimize the molecule NS(=O)(=O)c1ccccc1NC(C[NH3+])c1ccccc1 to have a lower QED value.,NS(=O)(=O)c1ccccc1NC(C[NH3+])c1cccc(O)c1
AtomNum,"The molecule has 20 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",COc1ccccc1N1CCN(C(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)CC1
BondNum,"The molecule is composed of 6 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 17 aromatic bonds.",Cc1noc(C)c1-c1ccc(=O)n(Cc2ccccc2C#N)n1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",OCc1ccnc(Oc2ccc(I)cc2)c1
AddComponent,Add a benzene ring to the molecule Cc1cnc2c(c1)nc(CCl)n2CCC[NH+]1CCOCC1.,Cc1cnc2c(c1)nc(CCl)n2CCC[NH+]1CCOC(c2ccccc2)C1
SubComponent,Modify the molecule halo by substituting a CCOC(=O)C#CC(CF)(OC)OC with a nitro.,CCOC(=O)C#CC(CNO)(OC)OC
DelComponent,Remove a COc1ccc(Nc2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 from the molecule amine.,COc1ccc(-c2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1
LogP,Modify the molecule C=C(C)COCC(O)C[N+](C)(C)CCCCCCCCCCCCCCCC to increase its LogP value.,C=C(C)COCCC[N+](C)(C)CCCCCCCCCCCCCCCC
MR,Optimize the molecule COc1ccc(C2CC(=O)c3cc(C(=O)Nc4cccc(C)n4)c(=O)[nH]c3C2)cc1 to have a higher MR value.,COc1ccc(C2CC(=O)c3cc(C(=O)Nc4cccc(C)n4)c(=O)[nH]c3C2)c(N)c1
QED,Please optimize the molecule O=C(CCC(=O)N1CCC2OCc3cnnn3C2C1)N1CCCCCC1 to have a lower QED value.,O=C(C1CCC2OCc3cnnn3C2C1)N1CCCCCC1
AtomNum,"There is a molecule with 19 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1c(Cl)cccc1NC(=O)c1ccnc(NCc2ccccc2F)n1
BondNum,"Please generate a molecule consisting 12 single bonds, 3 rotatable bonds, and 5 aromatic bonds.",CC(C)Cc1cnn(C)c1C1CCC[NH2+]C1
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, and 1 amide group.",C[NH2+]C1C(=O)N(CCCCO)c2ccc(C)cc21
AddComponent,Add a benzene ring to the molecule C=CCNN(CC=C)CCCCC.,C=CCNN(CC=C)CCC(CC)c1ccccc1
SubComponent,Modify the molecule halo by substituting a CCC(C)NC(=O)C(C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O with a nitro.,CCC(C)NC(=O)C(C)N(CCc1ccccc1)C(=O)CN(c1cccc(NO)c1)S(C)(=O)=O
DelComponent,Modify the molecule amide by removing a O=C1CCN(C(=O)c2cccc(Br)n2)CCN1.,O=C(c1cccc(Br)n1)N1CCC1
LogP,Please modify the molecule CS(=O)CCCNc1cc(NN)ncn1 to increase its LogP value.,CS(=O)C(CCNc1cc(NN)ncn1)c1ccccc1
MR,Please optimize the molecule CCOc1cc(C=C2NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 to have a lower MR value.,CCOc1cc(C=C2NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(S)c1OCC(=O)Nc1ccc(F)cc1
QED,Modify the molecule O=S(=O)(c1ccccc1C(F)(F)F)N(Cc1ccccc1)C1CCC2C[NH2+]CC21 to decrease its QED value.,O=S(=O)(c1ccccc1C(F)F)N(Cc1ccccc1)C1CCC2C[NH2+]CC21
AtomNum,"The molecule is composed of 15 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CN(C)S(=O)(=O)NC1CC(=O)N(CCCc2ccccc2)C1
BondNum,"The molecule consists of 13 single bonds, and 4 rotatable bonds.",CSCCCN1CC[NH2+]C(C)(C)C1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 2 amide groups.",COc1ccc(OC)c(C=C2C(=O)NN(c3ccccc3)C2=O)c1
AddComponent,Add a hydroxyl to the molecule COC(=O)C([NH3+])CCOCCOCC(C)C.,COC(=O)C([NH3+])CCOCCOCC(C)(C)O
SubComponent,Modify the molecule halo by substituting a CCCCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 with a nitrile.,CCCCNC(=O)C(CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccccc1
DelComponent,Please remove a halo from the molecule COc1cccc(CN2CCSCC(NC(=O)c3ccc(C(F)(F)P(=O)([O-])[O-])cc3)C2=O)c1.,COc1cccc(CN2CCSCC(NC(=O)c3ccc(C(F)P(=O)([O-])[O-])cc3)C2=O)c1
LogP,Please modify the molecule CC[Si](CC)(CC)C(C)C(O)CO to increase its LogP value.,CC[Si](CC)(CC)C(C)C(CO)C(=O)[OH]
MR,Modify the molecule O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)OCc1ccccc1Cl to have a higher MR value.,O=C(NC1=C(C(=O)[OH])C(=O)c2ccccc2C1=O)OCc1ccccc1Cl
QED,Modify the molecule COC1CCC23CC4CC(C)C(C)(C(OC(=O)CSc5ccc(CC(=O)NCCCNC(=O)OC(C)(C)C)cc5)CC(C)(CC=O)C(=O)C2C)C413 to decrease its QED value.,CC1C(=O)C(C)(CC=O)CC(OC(=O)CSc2ccc(CC(=O)NCCCNC(=O)OC(C)(C)C)cc2)C2(C)C(C)CC3CC14CCC(OCO)C342
AtomNum,"The molecule is composed of 17 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",OC(CN1CCC(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)C(F)(F)F
BondNum,"The molecule consists of 12 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCCCC(C)Nc1nc(CCC)nc(N)c1C
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",CCOC(=O)N1CCN(c2cc(OC)c(Cl)cc2OC)CC1
AddComponent,Modify the molecule CC(C)(C)OC(=O)NCC1CCCC1[NH2+]CC1CC(O)C1 by adding a benzene ring.,CC(C)(C)OC(=O)NCC1CCCC1[NH2+]CC1CC(O)C1c1ccccc1
SubComponent,Modify the molecule Cc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 by substituting a halo with a carboxyl.,Cc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C(=O)[OH])cc3s2)cc1
DelComponent,Modify the molecule Cc1c(-c2cn(C)c(=O)c(Nc3cccc(C(=O)N(C)C)c3)n2)cccc1N1CCNC1=O by removing a amine.,Cc1c(-c2cn(C)c(=O)c(-c3cccc(C(=O)N(C)C)c3)n2)cccc1N1CCNC1=O
LogP,Modify the molecule O=S(=O)(Nc1cccn2nc(C3CCC3)nc12)c1cccc(Cl)c1 to decrease its LogP value.,N#Cc1cccc(S(=O)(=O)Nc2cccn3nc(C4CCC4)nc23)c1
MR,Modify the molecule CCC(COC)Nc1ccc(N2CCNC2=O)cc1 to have a lower MR value.,CCC(COC)NN1CCNC1=O
QED,Modify the molecule CCCCC(C)NC(=O)c1cc(S(=O)(=O)Cl)cc(C)c1C to decrease its QED value.,CCCCC(C)NC(=O)c1cc([SH](=O)=O)cc(C)c1C
AtomNum,"The molecule consists of 32 carbon atoms, 6 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COc1cccc(N2CCN(c3ccc(CC(NC(=O)C4CCCN4S(=O)(=O)c4ccc(C)cc4)C(=O)[O-])cc3)CC2)c1
BondNum,"Please generate a molecule composed of 13 single bonds, 4 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CC(=O)NC(=Cc1ccccc1)C(=O)OC(C)C(=O)Nc1ccc(C)cc1C
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 halo groups.",C[NH2+]C(c1ccc(Br)c(Cl)c1)C(C)c1ccncc1
AddComponent,Modify the molecule COCCNS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OCC(=O)OC(C)(C)C)c1 by adding a hydroxyl.,COCCNS(=O)(=O)c1ccc(C)c(C#Cc2c(OCC(=O)OC(C)(C)C)ccc(Cl)c2O)c1
SubComponent,Substitute a Cc1ccc(OC2CCN(C(=O)c3ccc(C#N)cc3)CC2)cn1 in the molecule nitrile with a carboxyl.,Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)[OH])cc3)CC2)cn1
DelComponent,Modify the molecule amide by removing a CCCS(=O)(=O)N1CCCC(C(=O)NCCc2nc3c(F)cccc3n2C)C1.,CCCS(=O)(=O)N1CCCC1CCc1nc2c(F)cccc2n1C
LogP,Modify the molecule Cc1c(CN[O-])ccc(F)c1Cl to decrease its LogP value.,Cc1c(Cl)cccc1CN[O-]
MR,Optimize the molecule COc1ccc(CCN2CCCC2C[NH2+]C(C)C)cc1 to have a higher MR value.,COc1ccc(CCN2CCCC2(O)C[NH2+]C(C)C)cc1
QED,Modify the molecule Cc1ccccc1CC(Cl)c1ccccc1 to decrease its QED value.,Cc1ccccc1CCCl
AtomNum,"The molecule consists of 9 carbon atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",Brc1ccn(-c2ncnc3sccc23)n1
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",O=C(NCCNc1cnccn1)N1CCOC(c2ccc(F)cc2)C1
FunctionalGroup,Please generate a molecule with and 1 amide group.,O=C(CCCc1c[nH]c2ccccc12)NCCCn1ccc2cccnc21
AddComponent,Please add a benzene ring to the molecule C=Cn1nc2ccccc2c1C.,Cc1c2ccccc2nn1C=Cc1ccccc1
SubComponent,Substitute a halo in the molecule O=C(NCc1ccc(Cl)cc1)c1cn(CCSc2ccc(Cl)cc2)c2ccc(C[NH+]3CCOCC3)cc2c1=O with a aldehyde.,CC(=O)c1ccc(CNC(=O)c2cn(CCSc3ccc(Cl)cc3)c3ccc(C[NH+]4CCOCC4)cc3c2=O)cc1
DelComponent,Remove a O=C(C=Cc1ccccc1OC(F)F)Nc1ccc(Cl)cc1C(=O)N1CCCC1 from the molecule halo.,O=C(C=Cc1ccccc1OCF)Nc1ccc(Cl)cc1C(=O)N1CCCC1
LogP,Please modify the molecule O=C(C1COc2ccccc2C1)N1CCc2cc(Br)ccc21 to decrease its LogP value.,O=C(C1COc2ccccc2C1)N1CCc2ccccc21
MR,Modify the molecule ClCCCc1cn(CCCOc2ccc(Cl)cc2)nn1 to have a higher MR value.,SCCCc1cn(CCCOc2ccc(Cl)cc2)nn1
QED,Modify the molecule CN(CCCC1CC(c2cccc(F)c2)NN1)C(=O)Cc1ccc(C(F)(F)F)cc1 to decrease its QED value.,CN(CCCC1CC(c2cccc(O)c2)NN1)C(=O)Cc1ccc(C(F)(F)F)cc1
AtomNum,"There is a molecule with 21 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 bromine atom.",Cc1ccc(NC2NC(=O)C3C(NC(=O)CC3C(=O)Nc3ccc(Br)cc3)[NH2+]2)cc1
BondNum,"The molecule has 14 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC(CO)Cc3ccccc3C)c2C)n1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amine groups, and 1 halo group.",CCOc1c(Cl)cc(CNC(=[NH+]C)N2CCOC(c3cnn(C)c3)C2)cc1OC
AddComponent,Please add a amine to the molecule CCCn1c(C)nc(-c2ccccc2O)c(CCC2CCCCC2)c1=O.,CCCn1c(C)nc(-c2cccc(N)c2O)c(CCC2CCCCC2)c1=O
SubComponent,Substitute a CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nn12 in the molecule nitro with a thiol.,CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c([SH]=O)c4)c3)nn12
DelComponent,Modify the molecule halo by removing a O=C(Nc1ccc(CCl)cc1)c1c(F)cccc1F.,O=C(Nc1ccc(CCl)cc1)c1ccccc1F
LogP,Optimize the molecule CCNC(NCC1CCCS1)=[NH+]CC1CC[NH+](Cc2cccs2)CC1 to have a higher LogP value.,CCNC(CC1CC[NH+](Cc2cccs2)CC1)NCC1CCCS1
MR,Modify the molecule CC(C)C(=O)N1CCn2nc(CNC(=O)Cc3ccccn3)cc2C1 to have a lower MR value.,O=C(Cc1ccccn1)NCc1cc2n(n1)CCCCC2
QED,Modify the molecule Fc1cc(F)cc(NC2CCOC3(CCOC3)C2)c1 to decrease its QED value.,O=C([OH])c1cc(F)cc(NC2CCOC3(CCOC3)C2)c1
AtomNum,"The molecule consists of 15 carbon atoms, 5 nitrogen atoms, and 1 chlorine atom.",CCc1nn(C)c2c1nc(CCl)n2CC[NH+]1CCCCC1
BondNum,"Please generate a molecule composed of 14 single bonds, 4 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)C1CCN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, and 2 sulfone groups.",CS(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1
AddComponent,Please add a carboxyl to the molecule [NH3+]Cc1cnc(-c2ccccc2)[nH]c1=O.,[NH3+]Cc1c(C(=O)O)nc(-c2ccccc2)[nH]c1=O
SubComponent,Modify the molecule halo by substituting a N#CNC(=NC1(NC(=O)c2ccc(Cl)cc2)CCCC1)Nc1cccnc1 with a nitro.,N#CNC(=NC1(NC(=O)c2ccc(NO)cc2)CCCC1)Nc1cccnc1
DelComponent,Modify the molecule halo by removing a CC([NH2+]CC(=O)N(C)C)c1cc2cc(Br)ccc2o1.,CC([NH2+]CC(=O)N(C)C)c1cc2ccccc2o1
LogP,Please optimize the molecule C[NH+](C)CCC[NH+]=C(N)N(CCC[NH+](C)C)CCC[NH+](C)C to have a higher LogP value.,C[NH+](C)CCC[NH+]=CN(CCC[NH+](C)C)CCC[NH+](C)C
MR,Modify the molecule N#CC(CN1CCCCC1C[NH3+])C(F)(F)F to have a higher MR value.,N#CC(O)(CN1CCCCC1C[NH3+])C(F)(F)F
QED,Optimize the molecule OC1(c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CCCc2c(OCc3ccccc3)cccc21 to have a lower QED value.,O=C([OH])C1(c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CCCc2c(OCc3ccccc3)cccc21
AtomNum,"The molecule consists of 10 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",C=CCCC(=O)NCC1(CO)CC1
BondNum,"The molecule contains 18 single bonds, 1 double bond, 8 rotatable bonds, and 16 aromatic bonds.",Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc2ccccc21
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 4 halo groups.",Cn1ccc(-c2cc(C(=O)Nc3c4cc(CO)ncc4nn3-c3ccccc3)c(F)cc2C(F)(F)F)n1
AddComponent,Please add a benzene ring to the molecule COCCNCC[NH2+]Cc1ccc(I)c(Cl)c1.,COCCNCC[NH2+]Cc1ccc(I)c(Cl)c1-c1ccccc1
SubComponent,Please substitute a halo in the molecule CCC(=Cc1ccc(F)c(NC(=O)c2cc(-c3cccc(C[NH3+])c3)cc3ccccc23)c1)C(=O)[O-] with a nitrile.,CCC(=Cc1ccc(C#N)c(NC(=O)c2cc(-c3cccc(C[NH3+])c3)cc3ccccc23)c1)C(=O)[O-]
DelComponent,Please remove a CC(=O)c1ccc(NCN2C(=O)SC(=Cc3ccccc3)C2=O)cc1 from the molecule benzene ring.,C=C1SC(=O)N(CNc2ccc(C(C)=O)cc2)C1=O
LogP,Modify the molecule CC(=O)Nc1ccc(CNC(=O)COc2cc(Cl)ccc2Cl)cc1 to decrease its LogP value.,CC(=O)Nc1ccc(CNC(=O)COc2cccc(Cl)c2)cc1
MR,Please optimize the molecule CCOC(=O)N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1 to have a lower MR value.,CCOC(=O)N1CCN(C(=O)NC(C)=O)CC1
QED,Please modify the molecule CCCC(C)Oc1ccc(B(O)O)c(F)c1 to increase its QED value.,CCCC(C)Oc1ccc(B(O)F)c(F)c1
AtomNum,"There is a molecule consisting of 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 2 fluorine atoms, and 1 bromine atom.",O=C(Nc1cccnc1Br)c1cccc(F)c1F
BondNum,"The molecule is composed of 22 single bonds, 5 double bonds, 12 rotatable bonds, and 6 aromatic bonds.",CC([NH3+])C(=O)NC(C)C(=O)NCC(=O)NC(CS)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",CCNc1ncccc1C(=O)Nc1cc(OC)ccc1Cl
AddComponent,Add a aldehyde to the molecule COCCCn1c(=[NH2+])c(C#N)cc2c(=O)n3cccc(C)c3nc21.,COCCCn1c(=[NH2+])c(C#N)cc2c(=O)n3c(CC=O)ccc(C)c3nc21
SubComponent,Please substitute a thiol in the molecule CC(CC(=O)NC(CS)C(=O)[O-])O[N+](=O)[O-] with a aldehyde.,CC(=O)CC(NC(=O)CC(C)O[N+](=O)[O-])C(=O)[O-]
DelComponent,Modify the molecule CN(CCc1ccsc1)c1cc[nH+]cc1N by removing a amine.,CN(CCc1ccsc1)c1cc[nH+]cc1
LogP,Please optimize the molecule CC(C)OC(=O)NCC(O)CO to have a higher LogP value.,CC(C)OC(=O)NCCCO
MR,Modify the molecule CN(C)C(=O)C1C[NH+](C)CCN1C(=O)CCc1ccccc1 to have a lower MR value.,CCC(=O)N1CC[NH+](C)CC1C(=O)N(C)C
QED,Please modify the molecule CCOc1ccc(NC(=S)Nc2ccc3c(c2)oc2ccccc23)cc1 to increase its QED value.,CCONC(=S)Nc1ccc2c(c1)oc1ccccc12
AtomNum,"The molecule consists of 30 carbon atoms, 2 oxygen atoms, and 2 sulfur atoms.",Cc1ccc(-c2cc3c(s2)C2CC4C(=O)c5cc(-c6ccc(C)cc6)sc5C4CC2C3=O)cc1
BondNum,"Please generate a molecule with 8 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",C=CCSc1n[nH]c(NN=Cc2ccc(O)cc2O)n1
FunctionalGroup,The molecule has and 1 halo group.,Fc1ccc2c(C=C3CCCN=C3c3cccnc3)c[nH]c2c1
AddComponent,Modify the molecule Cc1ccc(OCC(=O)NCCCCCCC(=O)[O-])cc1 by adding a carboxyl.,Cc1ccc(OCC(=O)NCCCCCCC(=O)[O-])cc1C(=O)O
SubComponent,Please substitute a nitrile in the molecule N#CCCNC(=O)C1=COCCO1 with a aldehyde.,CC(=O)CCNC(=O)C1=COCCO1
DelComponent,Remove a amide from the molecule CCCc1nnc(NC(=O)C2CCCC(C(F)(F)F)C2)s1.,CCCc1nnc(C2CCC(C(F)(F)F)C2)s1
LogP,Please modify the molecule O=C(NC1CCCOCC1)N1CCCC2(CCCCC2)C1 to decrease its LogP value.,O=C(NC1CCCOCC1)N1CCCC2(CCC(S)CC2)C1
MR,Modify the molecule Cc1ccc(C(=O)C(C)Oc2cc(Cl)ccc2C#N)cc1 to increase its MR value.,Cc1ccc(C(=O)C(C)Oc2cc(Cl)cc(O)c2C#N)cc1
QED,Please modify the molecule O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CC1CCCO1)c1nc2ccccc2s1 to decrease its QED value.,O=C(c1cc(C(F)(F)F)cc(C(F)(F)S)c1)N(CC1CCCO1)c1nc2ccccc2s1
AtomNum,"The molecule has 17 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc2c(c1)CCCC2=O
BondNum,"Please generate a molecule composed of 20 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(c1ccccc1Cl)N(C)C(=O)NC1CCC(=O)NC1C1CCCO1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 2 amine groups.",c1ccc(Oc2ccc(Nc3cc(NC4CC[NH2+]C4)ncn3)cc2)cc1
AddComponent,Add a carboxyl to the molecule CCCCCc1cnc(CCC2CCC(C3CCC(CC)CC3)CC2)nc1.,CCCCCc1cnc(CCC2CCC(C3(C(=O)O)CCC(CC)CC3)CC2)nc1
SubComponent,Please substitute a halo in the molecule COc1cccc(Cl)c1C(C)C(C)Cl with a nitrile.,COc1cccc(C#N)c1C(C)C(C)Cl
DelComponent,Remove a halo from the molecule CC1=Nc2ccnn2C(c2ccc(Cl)c(Cl)c2)C1c1nc2ccc(F)cc2n1C.,CC1=Nc2ccnn2C(c2cccc(Cl)c2)C1c1nc2ccc(F)cc2n1C
LogP,Modify the molecule [NH3+]C1CC2CCCC(C1)N2c1ccc(I)cc1Cl to decrease its LogP value.,[NH3+]C1CC2CCCC(C1)N2c1ccc(C(=O)[OH])cc1Cl
MR,Please modify the molecule O=C(c1cc(-c2cccc(Cl)c2)on1)N1C2COCC1C2 to decrease its MR value.,N#Cc1cccc(-c2cc(C(=O)N3C4COCC3C4)no2)c1
QED,Modify the molecule N#CCc1nc(C(F)F)cc(C#N)c1CCl to have a lower QED value.,Cc1nc(C(F)F)cc(C#N)c1CCl
AtomNum,"The molecule consists of 18 carbon atoms, 1 oxygen atom, and 1 silicon atom.",C=CC(CCCc1ccccc1)OCCC[Si](C)(C)C
BondNum,"There is a molecule consisting of 15 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CC1CCC(C[NH3+])(C(=O)NCCc2ccn(C)n2)CC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 halo groups, 1 thioether group, and 1 sulfide group.",CC1=CC(C)=[N+]2C1=C(c1ccc(-c3c(Cc4cccc5ccccc45)cc(=O)n4c3SCC4C(=O)[O-])cc1)c1c(C)cc(C)n1[B-]2(F)F
AddComponent,Add a amine to the molecule Cc1cc(C(Cl)c2ccc3c(c2)COC3)c(Cl)cc1F.,Cc1cc(C(Cl)c2ccc3c(c2)COC3)c(Cl)c(N)c1F
SubComponent,Modify the molecule halo by substituting a Nc1nc(C(=NO)C(=O)NC2C(=O)N3C(C(=O)[O-])=C(C=CSc4sc5ccsc5c(=O)c4Br)CSC23)cs1 with a nitro.,Nc1nc(C(=NO)C(=O)NC2C(=O)N3C(C(=O)[O-])=C(C=CSc4sc5ccsc5c(=O)c4NO)CSC23)cs1
DelComponent,Modify the molecule halo by removing a Cc1ccsc1C(c1ccc(F)cc1F)N1CCC[NH2+]CC1.,Cc1ccsc1C(c1ccc(F)cc1)N1CCC[NH2+]CC1
LogP,Modify the molecule CC(C[NH3+])C(C)(Nc1ccccc1)C(=O)OCc1cccc(Oc2ccccc2)n1 to have a higher LogP value.,CC(C[NH3+])C(C)(C(=O)OCc1cccc(Oc2ccccc2)n1)c1ccccc1
MR,Modify the molecule C=CCN(C(C)=O)C1=CC=CCC=C1 to increase its MR value.,C=CC(O)N(C(C)=O)C1=CC=CCC=C1
QED,Modify the molecule Cc1c(F)c(F)cc(OCC(O)C[NH+]2CC=C(c3ccccc3)CC2)c1F to have a lower QED value.,Cc1c(F)c(OCC(O)C[NH+]2CC=C(c3ccccc3)CC2)cc(F)c1C(=O)[OH]
AtomNum,"The molecule contains 27 carbon atoms, 6 oxygen atoms, 6 nitrogen atoms, and 2 sulfur atoms.",Cc1ccc(N=Nc2ccc(N=Nc3ccc(N=Nc4ccc(SOOO)cc4)cc3S(=O)(=O)[O-])c(C)c2)c(C)c1
BondNum,"Please generate a molecule with 13 single bonds, and 5 rotatable bonds.",CCCCC(NN)C1CCC(C)O1
FunctionalGroup,The molecule has and 1 halo group.,Cc1cncc(Cn2cnc(C)c(Br)c2=O)c1
AddComponent,Add a aldehyde to the molecule [NH3+]C(CC1c2ccccc2C2C[NH+]=CN21)C1CCCCC1.,[NH3+]C(CC1c2ccccc2C2C[NH+]=CN21)C1CCCCC1CC=O
SubComponent,Substitute a halo in the molecule CN(Cc1ccco1)C(=O)COC(=O)C1CC(O)CN1C(=O)Cc1ccccc1F with a nitrile.,CN(Cc1ccco1)C(=O)COC(=O)C1CC(O)CN1C(=O)Cc1ccccc1C#N
DelComponent,Remove a Cc1cc(-c2sc(C(C)[NH3+])cc2C)ccc1F from the molecule halo.,Cc1cccc(-c2sc(C(C)[NH3+])cc2C)c1
LogP,Modify the molecule COc1cccc(-c2nc(Nc3ccnc(Cl)c3)c3cccn3n2)n1 to have a lower LogP value.,COc1nc(-c2nc(Nc3ccnc(Cl)c3)c3cccn3n2)ccc1O
MR,Optimize the molecule COc1ccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1OC to have a lower MR value.,COc1ccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(O)cc2)cc1OC
QED,Modify the molecule COc1ccc(C(F)(F)F)cc1N1C(c2ccc(-c3ccc(F)c(F)c3)cc2)=[NH+]c2c(F)cccc2C1CC(=O)[O-] to have a higher QED value.,COc1ccc(C(F)(F)F)cc1N1C(c2ccc(-c3ccc(F)cc3)cc2)=[NH+]c2c(F)cccc2C1CC(=O)[O-]
AtomNum,"There is a molecule consisting of 12 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCNC(=S)NC(C)c1ccc(C#N)cc1
BondNum,"The molecule consists of 13 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 6 aromatic bonds.",C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C#N)CC1
FunctionalGroup,"Please generate a molecule composed of 5 benzene ring groups, 1 amide group, 2 amine groups, 1 nitro group, 1 halo group, 1 thioether group, 1 sulfide group, and 1 sulfone group.",Cc1c(C(=O)NCCC[NH+]2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(NC(CC[NH+]6CCOCC6)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C2CC3(CCCCC3)N(CC(=O)Cl)C2=O)cc1.,Cc1ccc(C2CC3(CCCCC3)N(CC(=O)Cl)C2=O)cc1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(Cc1ccc(Cl)cc1Cl)OC1c2ccccc2-c2ccccc21 with a thiol.,O=C(Cc1ccc(S)cc1Cl)OC1c2ccccc2-c2ccccc21
DelComponent,Modify the molecule NNC(c1cccc(F)c1F)c1cccc2ccccc12 by removing a halo.,NNC(c1ccccc1F)c1cccc2ccccc12
LogP,Modify the molecule Cn1cncc1-c1nc(-c2cccc(N)c2)no1 to have a lower LogP value.,Cn1c(-c2nc(-c3cccc(N)c3)no2)cnc1O
MR,Modify the molecule CC(O)(C[NH3+])CCOCC1CCCCC1 to have a higher MR value.,CC(=O)C(C)(C[NH3+])CCOCC1CCCCC1
QED,Optimize the molecule CN(C)CC[NH+](C)CCC[NH2+]C1CCCC1 to have a lower QED value.,CN(C)CC[NH+](C)CCC[NH2+]C1CCCC1N
AtomNum,"The molecule contains 11 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",COCCNC(=O)CN(C)C(=O)Cn1cc(N)cn1
BondNum,"Please generate a molecule composed of 8 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cc(NC(C)C[NH3+])c(Cl)cc1F
FunctionalGroup,There is a molecule composed of and 1 sulfide group.,C#CC([NH2+]CC)c1snnc1C(C)C
AddComponent,Add a hydroxyl to the molecule CCC1CCN(c2ncc(Br)cc2C)CC1.,CCC1CCN(c2nc(O)c(Br)cc2C)CC1
SubComponent,Please substitute a C[NH+](C)CCCN1CC(C(=O)Nc2ccc(Br)cc2F)CC1=O in the molecule halo with a hydroxyl.,C[NH+](C)CCCN1CC(C(=O)Nc2ccc(O)cc2F)CC1=O
DelComponent,Remove a benzene ring from the molecule CNC(=O)C(C)NS(=O)(=O)c1cc(N)c(C)c(Cl)c1.,CNC(=O)C(C)NS(=O)(=O)NCCl
LogP,Modify the molecule O=C(c1ccc(F)cc1)N1CCCC2(COCC[NH+](CC3CC3)C2)C1 to have a lower LogP value.,O=C(c1ccccc1)N1CCCC2(COCC[NH+](CC3CC3)C2)C1
MR,Modify the molecule CC1(c2ccccc2O)Nc2cccc3cccc(c23)N1 to increase its MR value.,CC(=O)c1ccccc1C1(C)Nc2cccc3cccc(c23)N1
QED,Optimize the molecule Cc1nn(Cn2ccc(C(=O)Nc3cnn(C)c3C(=O)NCc3ccco3)n2)c(C)c1Br to have a lower QED value.,Cc1nn(Cn2ccc(C(=O)Nc3cnn(C)c3C(=O)NCc3ccc(O)o3)n2)c(C)c1Br
AtomNum,"Please generate a molecule with 6 carbon atoms, 1 oxygen atom, 1 sulfur atom, 3 chlorine atoms, and 1 silicon atom.",CCCS(=O)CCC[Si](Cl)(Cl)Cl
BondNum,"The molecule is composed of 6 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",Fc1ccc(OCc2cccnc2)c(CCl)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, 1 halo group, and 1 nitrile group.",CC(C)C(C[NH3+])Nc1cccc(Cl)c1C#N
AddComponent,Add a carboxyl to the molecule CC(NC(=O)CCc1ncc(-c2ccc(C(C)C)cc2)o1)C(=O)[O-].,CC(NC(=O)CCc1ncc(-c2ccc(C(C)C)c(C(=O)O)c2)o1)C(=O)[O-]
SubComponent,Please substitute a halo in the molecule CCOc1nc(Cl)nc2ccc(CO)nc12 with a aldehyde.,CC(=O)c1nc(OCC)c2nc(CO)ccc2n1
DelComponent,Modify the molecule hydroxyl by removing a COCCOCCOCCC(CO)c1ccccc1Cl.,COCCOCCOCCC(C)c1ccccc1Cl
LogP,Please optimize the molecule Cc1nccn1CCSc1ncccc1N to have a higher LogP value.,Cc1nccn1CCSc1ccccn1
MR,Modify the molecule CC(c1ccccc1Cl)[NH+](C)CCc1cccc(N)c1 to decrease its MR value.,CC(c1ccccc1C#N)[NH+](C)CCc1cccc(N)c1
QED,Please optimize the molecule C[NH2+]C(C1=CCCO1)C1CCCC(C(F)(F)F)C1 to have a lower QED value.,C[NH2+]C(C1=CCCO1)C1CCCC(C(F)(F)C(=O)[OH])C1
AtomNum,"There is a molecule composed of 24 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 fluorine atom.",C=CCOc1cc(C#CCCCC(C)F)ccc1-c1ccc2ncncc2c1
BondNum,"Please generate a molecule with 35 single bonds, 2 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",C=CCC1Oc2cccc(OC(F)F)c2-c2ccc(NC(=O)N(C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)cc21
FunctionalGroup,"The molecule has 1 benzene ring group, and 2 halo groups.",COc1cc(Cl)c(F)c(C(C[NH3+])C(=O)[O-])c1OC
AddComponent,Please add a benzene ring to the molecule COC(=O)C1(N(OC2CCN(OC)CC2)C(=O)Cc2c(C)cc(C)cc2C)CCN(OC)CC1.,COC(=O)C1(N(OC2CCN(OC)CC2)C(=O)Cc2c(C)cc(C)cc2C)CCN(OCc2ccccc2)CC1
SubComponent,Modify the molecule halo by substituting a CC(C)(C)C1CCC[NH+](CCNc2ccc(F)cc2)CC1 with a hydroxyl.,CC(C)(C)C1CCC[NH+](CCNc2ccc(O)cc2)CC1
DelComponent,Please remove a amide from the molecule C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1C(C)NC(=O)Cc1ccc(OC)cc1.,C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1C(C)c1ccc(OC)cc1
LogP,Modify the molecule C[NH2+]C(Cc1ccccc1F)c1ccnc2ccccc12 to have a lower LogP value.,C[NH2+]C(Cc1ccccc1C#N)c1ccnc2ccccc12
MR,Please optimize the molecule COc1cc(Br)c(C(=O)N2CCC(N3C(=O)OCC3CC(C)C)CC2)cc1OC to have a lower MR value.,COc1ccc(C(=O)N2CCC(N3C(=O)OCC3CC(C)C)CC2)cc1OC
QED,Please optimize the molecule Cn1ccnc1C(NC(=O)CCc1nc(-c2cccs2)no1)c1ccccc1 to have a lower QED value.,Cn1ccnc1C(NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(-c2ccccc2)cc1
AtomNum,"There is a molecule composed of 34 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 2 fluorine atoms.",COc1ccc(-c2cc(CCCN3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)nn2C(C)(C)C)cc1
BondNum,"The molecule is composed of 9 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCC(CC)(c1ccc(I)cc1)P(=O)([O-])[O-]
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ketone group, and 3 halo groups.",CC(=O)C(Br)c1ccc(Br)c(CBr)c1
AddComponent,Add a carboxyl to the molecule CCCC(C[NH3+])N(C)Cc1ccoc1C.,Cc1occc1CN(C)C(C[NH3+])CCCC(=O)O
SubComponent,Please substitute a CCN1CCN(Cc2cc(F)cc(C(F)(F)F)c2)C(=O)C1=O in the molecule halo with a nitro.,CCN1CCN(Cc2cc(NO)cc(C(F)(F)F)c2)C(=O)C1=O
DelComponent,Remove a amine from the molecule Cc1nc(CNS(=O)(=O)c2ccc(Br)cc2Br)no1.,Cc1nc(CS(=O)(=O)c2ccc(Br)cc2Br)no1
LogP,Please optimize the molecule COc1ccc(C(C)C)cc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 to have a lower LogP value.,COc1ccc(C(C)C)cc1S(=O)(=O)CNC(=O)c1cc2ccncc2o1
MR,Optimize the molecule C[Se]c1ccccc1C#C[Si](C)(C)C to have a lower MR value.,C[Se]C#C[Si](C)(C)C
QED,Please optimize the molecule COC(=O)c1cccc2c1CCCN2C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C to have a lower QED value.,COC(=O)c1cccc2c1CCCN2C(=O)CCc1c(C)[nH]c(=O)c(O)c1C
AtomNum,"The molecule is composed of 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",Cc1ccccc1NCC(O)c1cccs1
BondNum,"Please generate a molecule with 14 single bonds, 5 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCCCC(=O)NNC1=[NH+]C(=O)C(=Cc2cccc([N+](=O)[O-])c2)S1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",Cc1ccc(-c2cn[nH]c2C2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)cc1
AddComponent,Modify the molecule O=c1nc2c(c(Cc3cccs3)[nH]1)CCN2 by adding a hydroxyl.,O=c1nc2c(c(Cc3sccc3O)[nH]1)CCN2
SubComponent,Modify the molecule CCCc1c(Cl)[nH]c(=O)n(-c2cccc(N(C)C)c2)c1=O by substituting a halo with a aldehyde.,CC(=O)c1[nH]c(=O)n(-c2cccc(N(C)C)c2)c(=O)c1CCC
DelComponent,Please remove a Cc1cnc(C(=O)N2CCN(Cc3cccnc3)C3CS(=O)(=O)CC32)cn1 from the molecule amide.,Cc1cn(C23CCN(Cc4cccnc4)C2CS(=O)(=O)C3)-cn1
LogP,Optimize the molecule COc1cc2c(OC)cccc2cc1-c1nc2ncncc2[nH]1 to have a lower LogP value.,COc1cc2c(OC)c(O)ccc2cc1-c1nc2ncncc2[nH]1
MR,Modify the molecule Cc1cc(C(N)=[NH+]O)nc(N2CCOCC2)n1 to have a lower MR value.,Cc1cc(C(N)O)nc(N2CCOCC2)n1
QED,Modify the molecule O=C(CCC1CCCCO1)N1CC[NH+](Cc2nccn2C(F)F)CC1 to decrease its QED value.,O=C(CCC1CCCCO1)N1CC[NH+](Cc2nccn2C(O)F)CC1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",[NH3+]CCC1(c2cccc(=O)[nH]2)CCOC2(CCCC2)C1
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",COCc1cccc(OCc2cccnc2C(N)=[NH+]O)c1
FunctionalGroup,"There is a molecule with 1 amide group, 1 amine group, 1 nitrile group, and 1 sulfide group.",CCCCCNC(=O)c1snc(C#N)c1N
AddComponent,Add a aldehyde to the molecule C=CCN(CC(=O)N(CCOC)Cc1cccn1Cc1ccccc1)C(=O)COc1ccc(Cl)cc1.,C=CCN(CC(=O)N(CCOCCC=O)Cc1cccn1Cc1ccccc1)C(=O)COc1ccc(Cl)cc1
SubComponent,Please substitute a O=c1nc(COCCc2c(F)cccc2Cl)nc2[nH]c(F)ccc1-2 in the molecule halo with a thiol.,O=c1nc(COCCc2c(S)cccc2Cl)nc2[nH]c(F)ccc1-2
DelComponent,Remove a benzene ring from the molecule COc1ccc(NC(=O)C(=O)N2CCN(c3ccccn3)CC2)cc1OC.,CON(OC)C(=O)C(=O)N1CCN(c2ccccn2)CC1
LogP,Optimize the molecule C[NH+]=C(NCCC[NH+]1CCCCC1C)NCCc1c[nH]c2ccccc12 to have a higher LogP value.,C[NH+]=C(CCC[NH+]1CCCCC1C)NCCc1c[nH]c2ccccc12
MR,Please modify the molecule CC(C(=O)Nc1ccc(Cl)c(C(=O)N2CCOCC2)c1)[NH+]1CCC(C(=O)NCCC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1 to decrease its MR value.,CC(C(=O)Nc1ccc(O)c(C(=O)N2CCOCC2)c1)[NH+]1CCC(C(=O)NCCC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1
QED,Modify the molecule O=C(Cn1cnc(N([O-])[O-])n1)Nc1ccc(Cc2ccccc2)cc1 to decrease its QED value.,O=C(Cn1cnc(N([O-])[O-])n1)Nc1ccc(Cc2ccccc2)cc1-c1ccccc1
AtomNum,"The molecule contains 17 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CC1(C)C(c2cscn2)=Nc2ccc(C3=NNC(=O)CC3)cc21
BondNum,"There is a molecule with 9 single bonds, 4 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",CS(=O)(=O)ONC(N)=[NH+]C(=O)c1cccc(-c2csc(Cl)c2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 3 halo groups, and 1 nitrile group.",Cc1ccc(C#N)c(-n2ccc(C(F)(F)F)n2)c1
AddComponent,Please add a aldehyde to the molecule Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2C)cc1.,Cc1ccc(S(=O)(=O)N(C)c2c(C)cc(C(=O)Nc3ccc(C)c(Cl)c3)cc2CC=O)cc1
SubComponent,Modify the molecule halo by substituting a COc1ccc(C=CC(=O)c2cccnc2)cc1Cn1cc(Br)cn1 with a carboxyl.,COc1ccc(C=CC(=O)c2cccnc2)cc1Cn1cc(C(=O)[OH])cn1
DelComponent,Please remove a CCC(C)(C)C(=O)NC(C)C1CCCC[NH2+]1 from the molecule amide.,CCC(C)C(C)C1CCCC[NH2+]1
LogP,Please modify the molecule CCN(CCC(=O)Nc1ccc(Br)cc1)c1ccccc1 to decrease its LogP value.,CCN(CCC(=O)Nc1ccc(C(=O)[OH])cc1)c1ccccc1
MR,Please modify the molecule OC(c1cccc(-c2cc(N3CC([NH+]4CCOCC4)C3)c3nonc3c2)c1)C(F)(F)F to decrease its MR value.,FC(F)(F)Cc1cccc(-c2cc(N3CC([NH+]4CCOCC4)C3)c3nonc3c2)c1
QED,Optimize the molecule CCCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F to have a lower QED value.,CCCCOCC(O)OCCOCCOCCOCCOC(=O)C(F)(F)F
AtomNum,"The molecule has 13 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",C=C(CCCSCCN1C(=O)CCC1CO)OC
BondNum,"There is a molecule composed of 9 single bonds, 4 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCS(=O)(=O)CCNS(=O)(=O)c1ccc(NN)nc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amide group.",C=CCNC(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1
AddComponent,Add a thiol to the molecule CCONC(=O)N1CCC(Oc2ccc(-c3ccc4c(C)nccc4c3)cc2)CC1.,CCONC(=O)N1CCC(Oc2ccc(-c3ccc4c(C)nccc4c3)cc2S)CC1
SubComponent,Modify the molecule halo by substituting a NC(=[NH+]CC1(c2cccc(Cl)c2)CC1)N1CCN(c2nccs2)CC1 with a hydroxyl.,NC(=[NH+]CC1(c2cccc(O)c2)CC1)N1CCN(c2nccs2)CC1
DelComponent,Please remove a amine from the molecule CCCc1nc(NC)c(C)c(N2CCCC(C)(C)C2)n1.,CCCc1nc(C)c(C)c(N2CCCC(C)(C)C2)n1
LogP,Optimize the molecule CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)cc1 to have a higher LogP value.,CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3S)n2-c2ccccc2)cc1
MR,Modify the molecule CC(=O)N1CC2C=C(c3ccc(OCc4cc(-c5c(F)ccc(F)c5Cl)no4)nc3)C(C(=O)[O-])C(C1)N2C(=O)[O-] to decrease its MR value.,CC(=O)N1CC2C=C(c3ccc(OCc4cc(-c5cc(F)ccc5F)no4)nc3)C(C(=O)[O-])C(C1)N2C(=O)[O-]
QED,Please optimize the molecule CCn1ncc(NCc2ccccc2O)c(Br)c1=O to have a lower QED value.,CCn1ncc(NCc2cc(CC=O)ccc2O)c(Br)c1=O
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",O=C(c1c[nH]c2c(Cc3ccccc3)cccc12)N1CCC(Cc2ccccc2)CC1
BondNum,"The molecule contains 12 single bonds, 3 double bonds, 3 rotatable bonds, and 17 aromatic bonds.",O=C1OC(c2ccc(CN3C(=O)c4ccccc4C3=O)o2)c2ccc(Cl)cc21
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 2 halo groups.",COC(CC(N)=O)C1CCC(CC[NH+]2CCC(Oc3ccc(F)cc3Cl)CC2)CC1
AddComponent,Modify the molecule CC(NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc2ccccc12 by adding a hydroxyl.,CC(NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc2cc(O)ccc12
SubComponent,Substitute a halo in the molecule O=C(C=Cc1cccc(Br)c1)N(Cc1ccco1)Cc1ccco1 with a aldehyde.,CC(=O)c1cccc(C=CC(=O)N(Cc2ccco2)Cc2ccco2)c1
DelComponent,Please remove a amide from the molecule COc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cn1.,COc1ccc(-c2(C)onc-2-c2c(Cl)cccc2Cl)cn1
LogP,Optimize the molecule Cc1cc(NC2N[NH+](C(CC#N)C3CC3)C3CCNC(=O)C23)ccc1C(=O)N1CC[NH+](C)CC1 to have a higher LogP value.,Cc1cc(NC2N[NH+](C(CS)C3CC3)C3CCNC(=O)C23)ccc1C(=O)N1CC[NH+](C)CC1
MR,Please optimize the molecule O=Nc1c(O)ccc2c1OCO2 to have a lower MR value.,O=Nc1cccc2c1OCO2
QED,Optimize the molecule CC(C)CC(CO)Nc1ccc(C(=O)[O-])o1 to have a higher QED value.,CC(C)(CC(CO)Nc1ccc(C(=O)[O-])o1)c1ccccc1
AtomNum,"Please generate a molecule with 25 carbon atoms, 4 nitrogen atoms, and 1 fluorine atom.",CCCCC1([NH+](C)C)CC=C(c2[nH]c3ccc(F)cc3c2CCn2cccn2)CC1
BondNum,"The molecule consists of 16 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C1NC(=O)C2(CCN(C(=O)COc3cccc(F)c3)CC2)N1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, and 1 nitro group.",Cc1cc(NC2CN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-]
AddComponent,Add a benzene ring to the molecule CC1(C)C(=O)Nc2nc(OCCCC=O)ccc2C1=O.,CC1(C)C(=O)Nc2nc(OCC(CC=O)c3ccccc3)ccc2C1=O
SubComponent,Modify the molecule O=c1c(Cl)c(CO)[nH]c2ccccc12 by substituting a hydroxyl with a nitrile.,N#CCc1[nH]c2ccccc2c(=O)c1Cl
DelComponent,Modify the molecule benzene ring by removing a CC(C)CN(C)S(=O)(=O)c1cccc(C(=O)[O-])c1.,CC(C)CN(C)S(=O)(=O)C(=O)[O-]
LogP,Please modify the molecule CC(=O)Nc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)C2c2cccc(Cl)c2)c1 to decrease its LogP value.,CC(=O)Nc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)c(Cl)c3)C2c2ccc(C(=O)O)c(Cl)c2)c1
MR,Optimize the molecule CCCC1CSCCC1=NO to have a higher MR value.,CCC(c1ccccc1)C1CSCCC1=NO
QED,Please modify the molecule CC(C)(C)c1ccccc1C(=O)NCCc1nc(C(=O)[O-])cs1 to decrease its QED value.,CC(C)(C)C(=O)NCCc1nc(C(=O)[O-])cs1
AtomNum,"There is a molecule consisting of 10 carbon atoms, 8 nitrogen atoms, and 1 sulfur atom.",Nc1nc(NCc2nccs2)nc(-n2cccn2)n1
BondNum,"Please generate a molecule consisting 8 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(N)=S)cn1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, 1 amide group, and 1 amine group.",COC(=O)CN(CCN(NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)C(=O)Cn1ccc(N)nc1=O
AddComponent,Please add a benzene ring to the molecule CCCC([O-])=C1C(=O)CC(c2c(Cl)nc(C)c3c2CCCC3)CC1=O.,CCCC([O-])=C1C(=O)CC(c2c(Cl)nc(C)c3c2CCCC3c2ccccc2)CC1=O
SubComponent,Please substitute a halo in the molecule CC(C)n1cc(Oc2ccc(Cl)nn2)cn1 with a aldehyde.,CC(=O)c1ccc(Oc2cnn(C(C)C)c2)nn1
DelComponent,Please remove a Cc1ccc(C(=O)N2CCC(C)CC2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2ccc(NC(=O)c3ccccc3C)cc2)CC1 from the molecule benzene ring.,Cc1ccc(C(=O)N2CCC(C)CC2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NNC(=O)c2ccccc2C)CC1
LogP,Optimize the molecule NC1=[NH+]S(O)(O)Nc2cccc(OCC3CCCN(C(=O)Nc4ccncc4)C3)c21 to have a lower LogP value.,NC1=[NH+]S(O)(NO)Nc2cccc(OCC3CCCN(C(=O)Nc4ccncc4)C3)c21
MR,Please modify the molecule COCCOc1ccc(CCCOC(=O)[N-]S(=O)(=O)N2CCC(C)CC2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1 to increase its MR value.,COCCOc1ccc(CCCOC(=O)[N-]S(=O)(=O)N2CCC(C)CC2)c(Oc2ncc(C(F)(F)NO)cc2Cl)c1
QED,Optimize the molecule COCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCCF to have a higher QED value.,COCC([NH2+]Cc1cc([N+](=O)[O-])ccc1OCCF)c1ccccc1
AtomNum,"There is a molecule composed of 16 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",O=C(NN=Cc1ccccc1C(=O)[O-])C(=O)Nc1ccccc1Br
BondNum,"There is a molecule consisting of 8 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",COc1ccc2oc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2c1
FunctionalGroup,"The molecule contains 1 halo group, and 1 sulfide group.",C[NH2+]C(Cc1cc(Br)cs1)C1CN(C)CCCN1C
AddComponent,Modify the molecule CP(C)(=O)Cc1ccc(Nc2ncc(C(F)(F)F)c(NCc3ccccc3C(N)=O)n2)cc1 by adding a hydroxyl.,CP(=O)(CO)Cc1ccc(Nc2ncc(C(F)(F)F)c(NCc3ccccc3C(N)=O)n2)cc1
SubComponent,Substitute a hydroxyl in the molecule CC(C)c1ccc2c(c1)C(=NO)CC1C(C)(C(=O)NC(Cc3ccccc3)C(=O)Nc3ccccc3F)CCCC21C with a thiol.,CC(C)c1ccc2c(c1)C(=NS)CC1C(C)(C(=O)NC(Cc3ccccc3)C(=O)Nc3ccccc3F)CCCC21C
DelComponent,Please remove a CC1=C(c2nc(-c3ccc(C)cc3)no2)C(c2ccc(C)cc2)NC(=O)N1CC1CCCO1 from the molecule benzene ring.,CC1=C(c2nc(-c3ccc(C)cc3)no2)C(C)NC(=O)N1CC1CCCO1
LogP,Please modify the molecule [NH3+]C1(c2ccccc2C2CCSCC2)CCC1 to decrease its LogP value.,[NH3+]C1(C2CCSCC2)CCC1
MR,Modify the molecule O=C(c1cccs1)N1CCCN(c2ncc(C(F)(F)F)s2)CC1 to have a higher MR value.,O=C(c1sccc1-c1ccccc1)N1CCCN(c2ncc(C(F)(F)F)s2)CC1
QED,Please modify the molecule [N-]=[N+]=Nc1cc(N)ccc1O to increase its QED value.,[N-]=[N+]=Nc1cc(N)ccc1Br
AtomNum,"The molecule has 10 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",NN=Cc1c2cccccc-2[nH]c1=O
BondNum,"Please generate a molecule composed of 10 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCC(C)(OC)c1nnc(C([NH2+]C)c2ccccc2)o1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 ester group, 1 amide group, and 1 halo group.",Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)N(C)c1ccccc1
AddComponent,Add a hydroxyl to the molecule Cn1cc(C#Cc2c[nH+]c3cccc(N4CCC5(CCNC5=O)CC4)n23)cn1.,Cn1ncc(C#Cc2c[nH+]c3cccc(N4CCC5(CCNC5=O)CC4)n23)c1O
SubComponent,Modify the molecule C=CC(F)=CC(=CC)c1ccc(NC(=O)C(C)C)c(C(F)(F)F)n1 by substituting a halo with a nitro.,C=CC(=CC(=CC)c1ccc(NC(=O)C(C)C)c(C(F)(F)F)n1)NO
DelComponent,Please remove a halo from the molecule CCC1CC(C)(C)Nc2c1cc1c(c2S(=O)(=O)O)Oc2c(S(=O)(=O)O)c3c(cc2=C1c1c(Cl)c(SCC(=O)NCCCCCC(C)C)c(Cl)c(Cl)c1C(=O)O)C(C)CC(C)(C)[N+]=3C.,CCC1CC(C)(C)Nc2c1cc1c(c2S(=O)(=O)O)Oc2c(S(=O)(=O)O)c3c(cc2=C1c1cc(SCC(=O)NCCCCCC(C)C)c(Cl)c(Cl)c1C(=O)O)C(C)CC(C)(C)[N+]=3C
LogP,Please modify the molecule O=C([O-])C1(Nc2ccc(Br)cc2)CCCCCCC1 to decrease its LogP value.,O=C([O-])C1(NBr)CCCCCCC1
MR,Please modify the molecule CC(O)C[NH+](CC(=O)NC(C)Cc1c(F)cccc1F)C(C)C to increase its MR value.,CC(C#N)C[NH+](CC(=O)NC(C)Cc1c(F)cccc1F)C(C)C
QED,Modify the molecule COc1ccc(C(O)COCCC(F)(F)F)cc1OC to decrease its QED value.,CC(=O)C(F)(F)CCOCC(O)c1ccc(OC)c(OC)c1
AtomNum,"Please generate a molecule with 23 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c1
BondNum,"Please generate a molecule consisting 15 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1cc(Cl)ccc1C(=O)N1CCC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1
FunctionalGroup,"The molecule is composed of 2 amide groups, 2 thioether groups, and 1 sulfide group.",CNC(=O)Cn1cc(NC(=O)C2CC[NH+](C3CCSC3)CC2)cn1
AddComponent,Add a carboxyl to the molecule CN(C)c1ncc(-c2ccc(F)cc2)c(C2CCCCN2C(=O)c2ccc(=O)n(C)c2)n1.,CN(C)c1ncc(-c2ccc(F)cc2)c(C2CC(C(=O)O)CCN2C(=O)c2ccc(=O)n(C)c2)n1
SubComponent,Modify the molecule hydroxyl by substituting a CC(=O)OCC1OC(C2(O)C=CC(=O)C=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O with a halo.,CC(=O)OCC1OC(C2(F)C=CC(=O)C=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
DelComponent,Modify the molecule amine by removing a CSCCCCNC(=O)c1ccc2c(c1)CCN2.,CSCCCCNC(=O)c1ccc2c(c1)CC2
LogP,Please modify the molecule CCC(O)(CC)c1c(O)cccc1CO[Si](C)(C)C(C)(C)C to increase its LogP value.,CCC(O)(CC)c1ccccc1CO[Si](C)(C)C(C)(C)C
MR,Please optimize the molecule CCC1(c2nc(-c3ccc(F)cc3)no2)CCC[NH2+]C1 to have a higher MR value.,CCC1(c2nc(-c3ccc(S)cc3)no2)CCC[NH2+]C1
QED,Optimize the molecule Clc1nc(Cl)nc(SC2CCCC2)n1 to have a lower QED value.,Clc1ncnc(SC2CCCC2)n1
AtomNum,"The molecule consists of 10 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 2 fluorine atoms, and 1 chlorine atom.",N#Cc1cc(CC(=O)[O-])nc(C(F)F)c1CCl
BondNum,"Please generate a molecule with 19 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(F)(F)C(C)(NC(=O)Nc1cccc2c1OC(F)(F)O2)C(F)(F)F
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 1 nitro group, and 3 halo groups.",O=[N+]([O-])C=Cc1ccc(OCc2ccccc2)cc1-c1ccc(C(F)(F)F)cc1
AddComponent,Modify the molecule CN(CCO)C(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 by adding a hydroxyl.,CN(CCO)C(=O)c1c(O)cccc1Nc1ccc(OC(F)F)cc1
SubComponent,Substitute a Cc1c(C(=O)OC(C(N)=O)c2ccc(F)cc2)cnn1-c1ccc(C(F)(F)F)cn1 in the molecule halo with a nitrile.,Cc1c(C(=O)OC(C(N)=O)c2ccc(C#N)cc2)cnn1-c1ccc(C(F)(F)F)cn1
DelComponent,Modify the molecule nitrile by removing a Cc1ncsc1C(C)[NH2+]C(C)c1ccc(C#N)cc1.,Cc1ncsc1C(C)[NH2+]C(C)c1ccccc1
LogP,Modify the molecule COC(=O)CCC1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=[NH+]Cc1ccncc1 to increase its LogP value.,COC(=O)CCC1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1Cc1ccncc1
MR,Modify the molecule O=C(NC1CCN(C(=O)OCc2ccccc2)CC1)c1cc2c(Nc3ccc4cn[nH]c4c3)ncnc2s1 to have a lower MR value.,O=C(NC1CCN(C(=O)OCc2ccccc2)CC1)c1cc2c(-c3ccc4cn[nH]c4c3)ncnc2s1
QED,Modify the molecule C[NH2+]CC(=O)CCCc1ccccc1 to have a lower QED value.,O=C(CCCc1ccccc1)C[NH2+]CO
AtomNum,"There is a molecule with 10 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",CCC(CC#N)SC1CCOC1C
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CC(O)CCN(C)C(=O)COCc1ccccc1
FunctionalGroup,"The molecule consists of 2 amide groups, and 1 nitrile group.",N#Cc1ccc2c(c1)N(C(=O)C1CC[NH+](C3CC3)CC1)CC(=O)N2
AddComponent,Modify the molecule Cn1nc(Br)nc1C[NH2+]C(C)(C)c1ccccc1 by adding a amine.,Cn1nc(Br)nc1C[NH2+]C(C)(C)c1cccc(N)c1
SubComponent,Please substitute a hydroxyl in the molecule CCN(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N(C(=O)OC(N)=O)N(CC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 with a nitro.,CCN(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N(C(=O)OC(N)=O)N(CC)c1cc(C(C)(C)C)c(NO)c(C(C)(C)C)c1
DelComponent,Modify the molecule [O-]Nc1cccnc1C=Cc1ccccc1 by removing a benzene ring.,C=Cc1ncccc1N[O-]
LogP,Modify the molecule Cc1nc(C(=O)NCCC[NH+]2CC(C)CC(C)C2)nn1-c1ccc(F)cc1 to decrease its LogP value.,Cc1nc(C(=O)NC(O)CC[NH+]2CC(C)CC(C)C2)nn1-c1ccc(F)cc1
MR,Modify the molecule Brc1cc(Sc2ncn[nH]2)ncn1 to have a lower MR value.,Sc1cc(Sc2ncn[nH]2)ncn1
QED,Please modify the molecule COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3c(C)nsc32)cc1Cl to decrease its QED value.,COc1ccc(C(=O)N2CCC(NC(=O)c3cc(O)ccc3Cl)c3c(C)nsc32)cc1Cl
AtomNum,"The molecule has 10 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(C)S(=O)(=O)NC1=NC[NH+](C(C)(C)C)CN1
BondNum,"The molecule contains 12 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCOc1c(CC(C)(C)[NH3+])ccc(OC)c1OC
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 2 amide groups, 3 halo groups, and 1 sulfone group.",CCCNC(=O)C(CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2
AddComponent,Add a hydroxyl to the molecule O=[N+]([O-])c1c(Nc2ccc(-n3cncn3)cc2)ncnc1N1CCC(Sc2ccccc2)CC1.,O=[N+]([O-])c1c(Nc2ccc(-n3cncn3)cc2)nc(O)nc1N1CCC(Sc2ccccc2)CC1
SubComponent,Please substitute a halo in the molecule CC(C)CC(C)N(C)C(C[NH3+])c1cccc(Cl)c1 with a carboxyl.,CC(C)CC(C)N(C)C(C[NH3+])c1cccc(C(=O)[OH])c1
DelComponent,Modify the molecule Cc1ccc(C(C)C)c(OCCN2C(=O)SC(=Cc3ccc(OCc4ccc(Br)cc4)cc3)C2=O)c1 by removing a amide.,Cc1ccc(C(C)C)c(OCC(Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)S)c1
LogP,Optimize the molecule CN(CCS(=O)(=O)c1ccc(Br)cc1)CC(=O)Nc1ccc(Cl)c(Cl)c1 to have a higher LogP value.,CN(CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1
MR,Please optimize the molecule CN1C(=O)NC2C[NH+](CC(=O)NC3CCCC3)CCC21 to have a lower MR value.,CN1C(=O)NC2C[NH+](C3CCCC3)CCC21
QED,Modify the molecule O=C([O-])C([NH2+]C1CC1)c1ccc(Br)cc1 to decrease its QED value.,O=C([OH])c1ccc(C([NH2+]C2CC2)C(=O)[O-])cc1
AtomNum,"The molecule contains 8 carbon atoms, 2 oxygen atoms, 1 sulfur atom, and 3 chlorine atoms.",O=C(CC(=O)C(Cl)(Cl)Cl)c1cccs1
BondNum,"The molecule contains 9 single bonds, 1 double bond, 4 rotatable bonds, and 15 aromatic bonds.",Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)Cc1ccon1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, and 2 amide groups.",CCOC(=O)c1[nH]nc2c1C(=O)N(Cc1ccccc1)C2=O
AddComponent,Please add a benzene ring to the molecule Cc1ccccc1OCCN(C)C(=O)COC(C)C.,Cc1ccccc1OC(CN(C)C(=O)COC(C)C)c1ccccc1
SubComponent,Substitute a halo in the molecule CC(CCCl)CC[NH+]1CC(C)OC(C)(C)C1 with a nitro.,CC(CCNO)CC[NH+]1CC(C)OC(C)(C)C1
DelComponent,Remove a CCCCN(Cc1ccccc1)C(=O)C(CC(=O)OC)NC(=O)CC1CC(c2ccc(C(N)=[NH2+])cc2)=NO1 from the molecule amide.,CCCCN(C(=O)CC1CC(c2ccc(C(N)=[NH2+])cc2)=NO1)C(CC(=O)OC)c1ccccc1
LogP,Please modify the molecule Cc1noc(C2CC(O)CN2C(=O)c2ccc3sccc3c2)n1 to increase its LogP value.,Cc1noc(C2CC(O)(c3ccccc3)CN2C(=O)c2ccc3sccc3c2)n1
MR,Modify the molecule CNc1ccc(Cl)cc1C(=O)N(C)c1cccc(F)c1 to have a higher MR value.,CC(=O)c1ccc(NC)c(C(=O)N(C)c2cccc(F)c2)c1
QED,Optimize the molecule CC(C)OCc1ccc(C(C)(C)c2ccc(OOC(C)C)cc2)cc1 to have a higher QED value.,CC(C)OCC(C)(C)c1ccc(OOC(C)C)cc1
AtomNum,"There is a molecule with 10 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COC(=O)CCS(=O)(=O)N1CCOC(C(C)[NH3+])C1
BondNum,"There is a molecule composed of 17 single bonds, 2 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1Oc1cc(OC(=O)c2ccncn2)cc(C(N)=O)c1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 ketone group, 1 amine group, and 1 halo group.",Cc1ccc(N=Nc2c3n([nH]c2=O)C(c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1
AddComponent,Modify the molecule O=C(Nc1ccc2cc(-c3ccc(NC(=O)C4CCCN4C(=O)Cc4ccccc4)nc3)ccc2c1)C1CCCN1C(=O)Cc1ccccc1 by adding a carboxyl.,O=C(O)C1CCN(C(=O)Cc2ccccc2)C1C(=O)Nc1ccc(-c2ccc3cc(NC(=O)C4CCCN4C(=O)Cc4ccccc4)ccc3c2)cn1
SubComponent,Substitute a CCC=C(Br)C(CC[NH+](C)CC)=C(CC)CC in the molecule halo with a carboxyl.,CCC=C(C(=O)[OH])C(CC[NH+](C)CC)=C(CC)CC
DelComponent,Please remove a C=CC(O)(c1ccccc1)c1ccccc1C(N)=O from the molecule benzene ring.,C=CC(O)c1ccccc1C(N)=O
LogP,Modify the molecule CCC(Nc1ccccc1Cl)c1cccc(Br)c1 to have a lower LogP value.,CCC(NCl)c1cccc(Br)c1
MR,Please modify the molecule CC(C)(O)c1ccccc1C1(O)CC1 to increase its MR value.,CC(C)(S)c1ccccc1C1(O)CC1
QED,Please optimize the molecule COc1cnc2ccc(Nc3ccc(NCc4ccc(C(C)C)cc4)c(OC)c3)c(C#N)c2n1 to have a higher QED value.,COc1cnc2ccc(Nc3ccc(Cc4ccc(C(C)C)cc4)c(OC)c3)c(C#N)c2n1
AtomNum,"The molecule is composed of 34 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1ccc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(N)=O)c3)CC2)C(C)C)cc1NC(=O)c1cccc(F)c1
BondNum,"Please generate a molecule composed of 15 single bonds, 3 double bonds, 8 rotatable bonds, and 20 aromatic bonds.",CC[NH2+]CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2c(N(C)C)cccc21
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",CCCC(=O)N(CC)C(=O)NCCc1ccccc1
AddComponent,Please add a aldehyde to the molecule CN(CCC(F)(F)F)c1nc(C2CC2)c(C[NH2+]C2CC2)s1.,CN(CC(CC=O)C(F)(F)F)c1nc(C2CC2)c(C[NH2+]C2CC2)s1
SubComponent,Substitute a CB(O)c1c(F)cc(F)c(OC(C)C)c1F in the molecule hydroxyl with a aldehyde.,CC(=O)B(C)c1c(F)cc(F)c(OC(C)C)c1F
DelComponent,Remove a benzene ring from the molecule CCCC(NC(=O)N(CCC[NH+]=C(N)N)NC(=O)C1CCCN1C(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C[NH3+])C(=O)NC(CCC(C)C)C(N)=O.,CCCC(NC(=O)N(CCC[NH+]=C(N)N)NC(=O)C1CCCN1C(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)NC(CO)C(=O)NC(C[NH3+])C(=O)NC(CCC(C)C)C(N)=O
LogP,Please optimize the molecule Cc1c(F)cccc1C1OC(CC(=O)[O-])c2nnc(C(F)(F)F)n2-c2ccc(Cl)cc21 to have a lower LogP value.,CC1(F)OC(CC(=O)[O-])c2nnc(C(F)(F)F)n2-c2ccc(Cl)cc21
MR,Modify the molecule CCC(CC)(CO)CN1C(=O)COCC1=O to have a higher MR value.,CCC(CC)(CNO)CN1C(=O)COCC1=O
QED,Modify the molecule CCOCCOC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C(C)C)c(C)c3)C2=O)cc1 to have a lower QED value.,CCOCCOC(=O)c1ccc(N2C(=O)C(Nc3ccc(C(C)C)c(C)c3)=C(C(=O)[OH])C2=O)cc1
AtomNum,"The molecule is composed of 13 carbon atoms, and 4 oxygen atoms.",C=CCOC(=O)Cc1ccc(OC)cc1OC
BondNum,"The molecule contains 9 single bonds, 4 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",C=C(C(=O)NC)C(=CC)Nc1ccccc1C(N)=O
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, and 1 halo group.",O=C(Nc1ccccc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1
AddComponent,Modify the molecule CCCCCCCCCCCCC(O)C1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 by adding a carboxyl.,CCCCCCCCCCCCC(O)C1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(C(=O)O)O1
SubComponent,Please substitute a halo in the molecule CCOC(=O)c1nnsc1Nc1ccc(Cl)cc1N with a nitro.,CCOC(=O)c1nnsc1Nc1ccc(NO)cc1N
DelComponent,Remove a amine from the molecule NC(=[NH+]CCN1C(=O)Cc2ccccc21)N1CCSCC1.,O=C1Cc2ccccc2N1CC[NH+]=CN1CCSCC1
LogP,Please optimize the molecule O=C(CCCOC1OC(CO)C(O)C(O)C1O)ON1C(=O)CCC1=O to have a higher LogP value.,O=C([OH])CC1OC(OCCCC(=O)ON2C(=O)CCC2=O)C(O)C(O)C1O
MR,Optimize the molecule NC(=O)c1ncn(C2CCC(O)O2)n1 to have a higher MR value.,CC(=O)C1CCC(n2cnc(C(N)=O)n2)O1
QED,Modify the molecule C[NH2+]CC(O)c1cc2c(c(Br)c1O)CCCCC2 to have a lower QED value.,C[NH2+]CC(O)c1cc2c(c(Br)c1O)CCCCC2C#N
AtomNum,"The molecule is composed of 18 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 chlorine atom, and 1 iodine atom.",CCCCCCCC(CC=CCCC(=O)NCC(I)=CCl)OC
BondNum,"There is a molecule with 15 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CSc1ccccc1NC(C)(O)c1ccc(C2(C)CCSC(N)=[NH+]2)cc1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 5 halo groups, and 1 sulfone group.",CS(=O)(=O)c1ncnn1-c1ccc(C=CC(c2cc(Cl)cc(Cl)c2)C(F)(F)F)cc1
AddComponent,Please add a amine to the molecule CCC1CC(CO)(Nc2cccc(OC)c2)CCO1.,COc1cccc(NC2(CO)CCOC(C(C)N)C2)c1
SubComponent,Modify the molecule halo by substituting a COc1ccc(C(=O)c2cc(N)cc(F)c2)c(Cl)c1 with a hydroxyl.,COc1ccc(C(=O)c2cc(N)cc(O)c2)c(Cl)c1
DelComponent,Remove a amine from the molecule CCCNC(CCO)CS(=O)Cc1ccccc1C.,CCCC(CCO)CS(=O)Cc1ccccc1C
LogP,Optimize the molecule O=C(Nc1ccccn1)C1CCN(C(=O)CCc2ccccc2F)C1 to have a higher LogP value.,O=C(CCc1ccccc1F)N1CC(c2ccccn2)C1
MR,Modify the molecule Cc1cnc(=O)[nH]c1C1N(C2CC(OP(=O)([O-])[O-])C(CO)O2)C(=O)NC(=O)C1(C)O to increase its MR value.,Cc1cnc(=O)[nH]c1C1N(C2CC(OP(=O)([O-])[O-])C(CC(=O)[OH])O2)C(=O)NC(=O)C1(C)O
QED,Optimize the molecule Cc1ccc(C=C(C(=O)N2CCc3ccc(C(=O)NO)cc3C2)c2ccc(C)cc2)cc1 to have a higher QED value.,Cc1ccc(C=C(C(=O)N2CCc3ccc(C(=O)NNO)cc3C2)c2ccc(C)cc2)cc1
AtomNum,"The molecule is composed of 21 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",COc1ccc(Cl)cc1CN(C)C(=O)c1ccn(-c2cc(C)ccc2OC)n1
BondNum,"There is a molecule consisting of 17 single bonds, 1 double bond, 12 rotatable bonds, and 17 aromatic bonds.",CCCC[NH+](C)CCCNC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc2ccccc12
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, 1 halo group, 1 thioether group, and 2 sulfide groups.",CC(c1ccc(F)cc1)N(C)C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3
AddComponent,Please add a benzene ring to the molecule CC[NH+](Cc1ccccc1)C1CC(C)CCC1C(=O)[O-].,CC[NH+](Cc1cccc(-c2ccccc2)c1)C1CC(C)CCC1C(=O)[O-]
SubComponent,Please substitute a halo in the molecule ClC1=NC=[NH+]C2Nc3ccccc3CN=C12 with a hydroxyl.,OC1=NC=[NH+]C2Nc3ccccc3CN=C12
DelComponent,Modify the molecule amide by removing a O=C(Cc1ccc(-n2cnnc2)cc1)N1CC2C3CCC(C3)C2C1.,c1cc(-n2cnnc2)ccc1C1CC2C3CCC(C3)C12
LogP,Optimize the molecule C=CCOC(=O)C1C2SC3(CC2Br)C1C(=O)N(C(CO)C(C)CC)C3C(=O)N(CC=C)C(C)C to have a lower LogP value.,C=CCOC(=O)C1C2CCC3(S2)C1C(=O)N(C(CO)C(C)CC)C3C(=O)N(CC=C)C(C)C
MR,Optimize the molecule Cc1cccc2c1OCC(NC(=O)N1CCCC(O)(C(=O)N3CCCC3)C1)C2 to have a lower MR value.,Cc1cccc2c1OCC(NC(=O)N1CCCC(C(=O)N3CCCC3)C1)C2
QED,Please modify the molecule CCC(CC)n1ccc(CNc2ccc(Br)c(Cl)c2Cl)n1 to increase its QED value.,CCC(CC)n1ccc(CNc2ccc(Br)cc2Cl)n1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",COc1ccc(C(C)[NH+]2CC(O)C2c2ccccc2)cc1
BondNum,"Please generate a molecule with 15 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(C(=O)NC2CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2)c1NC(=O)c1ccncc1
AddComponent,Please add a benzene ring to the molecule Cc1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)CC2)ccc1Br.,Cc1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4ccccc4-c4ccccc4)ccc3Cl)CC2)ccc1Br
SubComponent,Modify the molecule CCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(I)c2)SC1=[NH+]c1ccc(OC)cc1 by substituting a halo with a aldehyde.,CC(=O)c1cc(C=C2SC(=[NH+]c3ccc(OC)cc3)N(CC)C2=O)ccc1OCc1ccccc1
DelComponent,Please remove a CC(C)(C)NCC1(S(C)(=O)=O)CC(C(C)(C)C)C1 from the molecule amine.,CC(C)(C)CC1(S(C)(=O)=O)CC(C(C)(C)C)C1
LogP,Optimize the molecule Nc1ccc(CO)c(Cl)c1OC(F)(F)F to have a higher LogP value.,Cc1ccc(N)c(OC(F)(F)F)c1Cl
MR,Modify the molecule CC#CC(=O)N1CC(C)(O)C1 to have a higher MR value.,CC#CC(=O)N1CC(C)(NO)C1
QED,Please optimize the molecule CC1CC(O)C2C(C)(CO)CCCC2(C)C12CC(=O)C1(C=COC1)O2 to have a higher QED value.,CC(=O)C1CC(C)C2(CC(=O)C3(C=COC3)O2)C2(C)CCCC(C)(CO)C12
AtomNum,"Please generate a molecule with 18 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)C2CCC2)cc1
BondNum,"Please generate a molecule composed of 17 single bonds, 2 double bonds, and 9 rotatable bonds.",CCCCCCNC(NCCNC(=O)C1CC1)=[NH+]C
FunctionalGroup,The molecule contains and 1 amide group.,CCCC[NH+]1CC(C)NC(=O)C1CC(=O)[O-]
AddComponent,Modify the molecule CC[NH+](CC)Cc1ccc(C(=O)NNC(=O)C=Cc2ccc(Cl)c(C(F)(F)F)c2)o1 by adding a aldehyde.,CC[NH+](CC)Cc1ccc(C(=O)NNC(=O)C(=Cc2ccc(Cl)c(C(F)(F)F)c2)CC=O)o1
SubComponent,Modify the molecule [NH3+]C1(CNC(=O)C(F)(F)F)COC1 by substituting a halo with a nitrile.,N#CC(F)(F)C(=O)NCC1([NH3+])COC1
DelComponent,Remove a benzene ring from the molecule CN(c1ccccc1C(F)(F)F)C1CCCCC1C[NH3+].,CN(C1CCCCC1C[NH3+])C(F)(F)F
LogP,Modify the molecule Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(C(F)(F)F)cc1 to have a lower LogP value.,CC(=O)c1c(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)nn1Cc1ccccc1
MR,Modify the molecule CCOC1CCN(S(=O)(=O)c2cc(N)ccc2F)CC1 to increase its MR value.,CCOC1CCN(S(=O)(=O)c2cc(N)ccc2O)CC1
QED,Optimize the molecule COC(CO)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1C to have a higher QED value.,COC(CO)CONC(=O)c1ccc(F)c(F)c1Nc1ccccc1C
AtomNum,"The molecule consists of 14 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CS(=O)(=O)c1ccc(N2CCC(n3cncn3)CC2)c([N+](=O)[O-])c1
BondNum,"Please generate a molecule consisting 12 single bonds, 3 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(Sc3ccccc3)C2=O)cc1Cl
FunctionalGroup,There is a molecule with and 1 benzene ring group.,c1ccc(C[NH+]2CCC(C[NH2+]Cc3cccnc3)C2)cc1
AddComponent,Add a aldehyde to the molecule N#Cc1c(CBr)n(S(=O)(=O)c2ccccc2)c2ccccc12.,N#Cc1c(CBr)n(S(=O)(=O)c2cccc(CC=O)c2)c2ccccc12
SubComponent,Modify the molecule hydroxyl by substituting a CCOC(=O)CN(C)C(=O)c1ccc2cc(C(CC)(CC)c3ccc(OC(CC)C(O)=C(C)C)c(C)c3)ccc2c1 with a halo.,CCOC(=O)CN(C)C(=O)c1ccc2cc(C(CC)(CC)c3ccc(OC(CC)C(I)=C(C)C)c(C)c3)ccc2c1
DelComponent,Please remove a amine from the molecule O=S(=O)(Nc1cn[nH]c1)N1CCCCC1.,O=S(=O)(c1cn[nH]c1)N1CCCCC1
LogP,Modify the molecule Cc1cccc(Nc2cccc(Cl)n2)c1C to decrease its LogP value.,Cc1cccc(-c2cccc(Cl)n2)c1C
MR,Optimize the molecule C#CC(CC)(CC)NC(=O)Cc1cnn(-c2ccccc2)c1 to have a lower MR value.,C#CC(CC)(CC)c1cnn(-c2ccccc2)c1
QED,Please modify the molecule NC(=S)C1C[NH2+]NC1NC(=O)c1ccccc1Br to decrease its QED value.,NC(=S)C1C[NH2+]NC1NC(=O)c1ccccc1S
AtomNum,"The molecule consists of 22 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC(C)(CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1
BondNum,"Please generate a molecule consisting 12 single bonds, 3 double bonds, 8 rotatable bonds, and 26 aromatic bonds.",CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ester group, 2 amide groups, and 1 halo group.",C=CCN1C(=O)c2ccc(C(=O)OCc3ccccc3Cl)cc2C1=O
AddComponent,Please add a aldehyde to the molecule C=C(c1ccccc1NCc1ccc(Cl)cc1)n1ccnc1.,C=C(c1ccccc1NCc1ccc(Cl)cc1CC=O)n1ccnc1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1cc(F)ccc1C(=O)CC1C(C)CCC(c2nc(C(C)(C)O)cs2)CC1C with a nitrile.,Cc1cc(F)ccc1C(=O)CC1C(C)CCC(c2nc(C(C)(C)C#N)cs2)CC1C
DelComponent,Please remove a amine from the molecule COC(=O)c1cc(-c2cnoc2N)cc(C)c1C.,COC(=O)c1cc(-c2cnoc2)cc(C)c1C
LogP,Modify the molecule COC(=O)c1ccc(C=Cc2ccc(C=Cc3ccc(F)cc3)cc2)cc1 to have a lower LogP value.,COC(=O)c1ccc(C=Cc2ccc(C=CF)cc2)cc1
MR,Please optimize the molecule CC(c1ccc(F)cc1)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 to have a higher MR value.,CC(c1ccccc1)[NH+]1CCN(CC(=O)N2CCOCC2)CC1
QED,Modify the molecule CCOc1ccc(NC(=O)c2cccc(C)c2Br)cc1F to increase its QED value.,CCOc1ccc(NC(=O)c2cccc(C)c2Br)cc1
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 5 fluorine atoms.",Cc1ccc(C(O)(C(=O)NNc2c(F)c(F)c(F)c(F)c2F)c2ccc(C)cc2)cc1
BondNum,"There is a molecule composed of 27 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCC(=Cc1ccc(O)c(F)c1)CCC1OB(O)CC2C1=C(C(C)C)CC1C(=O)N(c3ccccc3)C(=O)C12
FunctionalGroup,The molecule consists of and 1 amide group.,O=C(NC1C=CC(C(=O)[O-])C1)c1n[nH]c(C2CC2)n1
AddComponent,Modify the molecule O=Cc1cnc(CSc2ccccc2F)nc1 by adding a hydroxyl.,O=C(O)c1cnc(CSc2ccccc2F)nc1
SubComponent,Modify the molecule halo by substituting a CC(=O)Oc1cc(Br)c(Oc2ccc(N)c(N)c2)c(Br)c1 with a hydroxyl.,CC(=O)Oc1cc(O)c(Oc2ccc(N)c(N)c2)c(Br)c1
DelComponent,Modify the molecule [NH3+]CC=CCc1cccc(O)c1 by removing a benzene ring.,[NH3+]CC=CCO
LogP,Modify the molecule CC(=O)N1CC2(C)CCCC3(C1=O)C2CCC12C=C(CC45C=CC(O)CC4[NH+](C)CC5)C(CC1)CC23 to increase its LogP value.,CC(=O)N1CC2(C)CCCC3(C1=O)C2CCC12C=C(CC45C=CC(C#N)CC4[NH+](C)CC5)C(CC1)CC23
MR,Please optimize the molecule CC(NC1C=CS(=O)(=O)C1)c1cc(Br)ccc1F to have a higher MR value.,CC(NC1C=CS(=O)(=O)C1)c1cccc(Br)c1
QED,Modify the molecule O=C(Nc1ccc(OC2CCCCC2O)cc1)C1CCCc2c(O)cccc21 to have a higher QED value.,O=C(NOC1CCCCC1O)C1CCCc2c(O)cccc21
AtomNum,"The molecule contains 25 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",COc1ccccc1C1=C(Nc2cccc(C)c2C)C(=O)N(c2cccc(F)c2)C1=O
BondNum,"There is a molecule consisting of 8 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",C[NH2+]C(Cc1ccc(Br)s1)c1cc(F)cc(Br)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 thioether group, and 1 sulfide group.",COc1ccccc1NC(=O)CSc1nnnn1C1CC1
AddComponent,Add a benzene ring to the molecule C1CCC(C2N=NC(C3CCCCC3)S2)CC1.,c1ccc(C2CCCC(C3N=NC(C4CCCCC4)S3)C2)cc1
SubComponent,Modify the molecule halo by substituting a O=C(c1cnn(Cc2cccc(Cl)c2)c1)C(F)(F)F with a nitrile.,N#Cc1cccc(Cn2cc(C(=O)C(F)(F)F)cn2)c1
DelComponent,Remove a amide from the molecule CCOC(=O)C1CCCN(S(=O)(=O)NC2CCN(C(C)=O)CC2)C1.,CCOC(=O)C1CCCN(S(=O)(=O)NC2CCCC2)C1
LogP,Please modify the molecule O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 to decrease its LogP value.,O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2[nH]1
MR,Optimize the molecule COc1cc(CNC(=O)c2cc3n(n2)CCCN(Cc2cccc(F)c2)C3=O)cc(OC)c1OC to have a higher MR value.,COc1cc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)cc(OC)c1OC
QED,Modify the molecule CCC(C)c1ccc(-c2c[nH+]c(C(F)(F)F)[nH]2)cc1 to have a higher QED value.,CCC(C)c1ccc(-c2c[nH+]c(C(O)(F)F)[nH]2)cc1
AtomNum,"Please generate a molecule with 24 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccc(Cl)cc2)c2ccccc2)cc1
BondNum,"Please generate a molecule with 15 single bonds, 1 triple bond, 3 rotatable bonds, and 16 aromatic bonds.",Cn1cnc2c(C#N)nc(-c3ccc(OC4CC[NH2+]CC4)c(C(F)(F)F)c3)cc21
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, and 1 nitrile group.",CC(C)Oc1ccc(C(O)C(C)C#N)cc1
AddComponent,Please add a benzene ring to the molecule O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1.,O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCN(c2nc(-c3ccccc3-c3ccccc3)ns2)CC1
SubComponent,Please substitute a hydroxyl in the molecule CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4c(N5CCC(NC(=O)CCCCCN=[N+]=[N-])CC5)c(O)ccc34)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2 with a nitro.,CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4c(N5CCC(NC(=O)CCCCCN=[N+]=[N-])CC5)c(NO)ccc34)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2
DelComponent,Remove a benzene ring from the molecule c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc2)cc1.,c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc2)cc1
LogP,Modify the molecule CCCOc1ccc(C(C)NC(=O)c2ccncc2)cc1OCCC to have a higher LogP value.,CCCOc1cc(C(C)NC(=O)c2ccncc2)ccc1OC(CC)c1ccccc1
MR,Optimize the molecule O=S(=O)(c1ccc(Br)s1)N1CCCC1CO to have a higher MR value.,O=S(=O)(c1cc(O)c(Br)s1)N1CCCC1CO
QED,Modify the molecule CCNC(NCCCOCC(F)(F)F)=[NH+]Cc1cccc(OCC)c1OC(F)F to decrease its QED value.,CCNC(NCCCOCC(F)(F)NO)=[NH+]Cc1cccc(OCC)c1OC(F)F
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1cccc(CNC(=O)c2c([O-])n3cccc(C)c3nc2=O)c1
BondNum,"There is a molecule with 10 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 amide groups.",O=C(NC(CC1CC1)C(=O)[O-])C1CCCN(C(=O)CCOc2ccccc2)C1
AddComponent,Modify the molecule CCn1c(CO)nnc1C1CC(NC(=O)Cn2ncc3ccccc3c2=O)C1 by adding a hydroxyl.,CC(O)n1c(CO)nnc1C1CC(NC(=O)Cn2ncc3ccccc3c2=O)C1
SubComponent,Please substitute a Fc1cccc(CNc2cccc(Cl)c2-n2cccn2)c1 in the molecule halo with a nitrile.,N#Cc1cccc(CNc2cccc(Cl)c2-n2cccn2)c1
DelComponent,Modify the molecule O=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1ccccc1F by removing a halo.,O=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1ccccc1
LogP,Modify the molecule CC[NH2+]CCc1cc2c(c(NC)c1)NCC2 to have a lower LogP value.,CNc1cc(CC[NH2+]CCO)cc2c1NCC2
MR,Please optimize the molecule CSc1nnc(SC(C)C(=O)Nc2ccnn2C(C)C)s1 to have a higher MR value.,CC(Sc1nnc(SCO)s1)C(=O)Nc1ccnn1C(C)C
QED,Modify the molecule CC[NH+](CC(=O)[O-])C1CC(NC(=O)Nc2ccccc2OCC(F)(F)F)C1 to have a lower QED value.,CC[NH+](CC(=O)[O-])C1CC(NC(=O)Nc2ccccc2OCC(F)(F)F)C1C(=O)O
AtomNum,"Please generate a molecule with 11 carbon atoms, 3 nitrogen atoms, and 2 chlorine atoms.",Cc1cc(NCc2cccc(Cl)c2Cl)n[nH]1
BondNum,"Please generate a molecule composed of 12 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCC[NH2+]C1CC(Oc2ccc(Br)cc2Br)C1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, and 6 halo groups.",CCOC(=O)N1c2cc(C)c(C)cc2N(C(COC(C)=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1CC
AddComponent,Please add a benzene ring to the molecule COCc1ccccc1NC(=O)c1ccc(C(N)=S)cn1.,NC(=S)c1ccc(C(=O)Nc2ccccc2COCc2ccccc2)nc1
SubComponent,Modify the molecule halo by substituting a CC(c1ccc(Cl)cc1)N(C)C(=O)CSc1nncn1C(C)C with a aldehyde.,CC(=O)c1ccc(C(C)N(C)C(=O)CSc2nncn2C(C)C)cc1
DelComponent,Modify the molecule benzene ring by removing a COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nc4sc(C)c(-c5ccccc5)c4c(=O)n3-c3ccccc3)c2C)cc1.,COC(=O)n1c(C)cc(C(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)c1C
LogP,Modify the molecule Cc1cc(OCC(=O)Nc2ccccc2C(C)O)no1 to increase its LogP value.,Cc1cc(Oc2ccccc2C(C)O)no1
MR,Please modify the molecule CCN(C(=O)c1cccc(CN2CCCC2=O)c1)C(C)c1ccc(C#N)cc1 to increase its MR value.,CCN(C(=O)c1cccc(CN2CCCC2=O)c1)C(C)c1ccc(Cl)cc1
QED,Optimize the molecule CCn1nc(NCc2ccccc2)cc1C to have a lower QED value.,CCn1nc(NC)cc1C
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 5 oxygen atoms, and 1 silicon atom.",COCCOCCCCCCCCCCC[Si](OC)(OC)OC
BondNum,"The molecule has 7 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",O=C(NC1Cc2ccccc2C1)c1cccc2[nH]ccc12
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ketone group, and 1 nitrile group.",COc1ccc2c(c1)nc(C(C)=O)n2-c1cccc(C#N)c1
AddComponent,Modify the molecule CC(=O)CCCn1cc(CN(C(=O)C2CN(C(=O)OC(C)(C)C)CCO2)C2CC2)c2cc(F)ccc21 by adding a benzene ring.,CC(=O)C(CCn1cc(CN(C(=O)C2CN(C(=O)OC(C)(C)C)CCO2)C2CC2)c2cc(F)ccc21)c1ccccc1
SubComponent,Substitute a CCc1cc(-c2cccc(F)c2)nn1C in the molecule halo with a thiol.,CCc1cc(-c2cccc(S)c2)nn1C
DelComponent,Remove a halo from the molecule CCSCCC(C)[NH2+]CC(O)c1c(F)cccc1F.,CCSCCC(C)[NH2+]CC(O)c1ccccc1F
LogP,Please modify the molecule O=C(CCCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)[O-])NC(Cc1ccc(O)cc1)C(=O)[O-] to increase its LogP value.,N#Cc1ccc(CC(NC(=O)CCCCCCC(=O)NC(Cc2ccc(O)cc2)C(=O)[O-])C(=O)[O-])cc1
MR,Modify the molecule CCCCCCC1CC=CCCCOC(=O)c2ccccc2C(=O)O1 to increase its MR value.,CCCCCCC1CC=C(N)CCCOC(=O)c2ccccc2C(=O)O1
QED,Modify the molecule N#CCCCCCCc1cccc(C[NH3+])c1 to have a lower QED value.,CCCCCCc1cccc(C[NH3+])c1
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CCOc1ccc(CNC(=O)C2CCN(c3ccc(Cl)cn3)CC2)cc1OC
BondNum,"Please generate a molecule composed of 15 single bonds, and 3 rotatable bonds.",COC1CCCC1[NH2+]C1CSC(C)C1
FunctionalGroup,"There is a molecule composed of 3 amide groups, 1 thioether group, and 1 sulfide group.",CCN1CCN(C(=O)C23CCC(=O)N2c2ccccc2S3)CC1=O
AddComponent,Add a benzene ring to the molecule CC(C)(C)OC(=O)C(Cc1cscn1)C[NH+]1C2CCC1CC1(C2)OCc2ccc(F)cc21.,CC(C)(C)OC(=O)C(Cc1cscn1)C[NH+]1C2CCC1CC1(C2)OCc2c(-c3ccccc3)cc(F)cc21
SubComponent,Substitute a nitrile in the molecule N#CCC(c1ccco1)n1cc(-c2cnn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)c[nH+]c3c2)cn1 with a aldehyde.,CC(=O)CC(c1ccco1)n1cc(-c2cnn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)c[nH+]c3c2)cn1
DelComponent,Remove a halo from the molecule CC(=O)N1CCN2c3cccc(c3)C(n3cnc(-c4cc(Cl)ccc4-n4cc(Cl)nn4)cc3=O)CCCCCNC(=O)C2C1.,CC(=O)N1CCN2c3cccc(c3)C(n3cnc(-c4ccccc4-n4cc(Cl)nn4)cc3=O)CCCCCNC(=O)C2C1
LogP,Modify the molecule CCCc1nc2ccccc2n1CC(O)COc1cccc(C(=O)OC)c1 to increase its LogP value.,CCCc1nc2ccccc2n1CC(I)COc1cccc(C(=O)OC)c1
MR,Modify the molecule O=C(COc1ccccc1F)Nc1ccc2cn[nH]c2c1 to increase its MR value.,CC(=O)c1ccccc1OCC(=O)Nc1ccc2cn[nH]c2c1
QED,Modify the molecule CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 to have a higher QED value.,CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1
AtomNum,"The molecule has 27 carbon atoms, 6 oxygen atoms, and 2 nitrogen atoms.",Cc1cc(C([O-])=C2C(=O)C(=O)N(CC[NH+]3CCOCC3)C2c2ccc(O)cc2)ccc1OC(C)C
BondNum,"Please generate a molecule with 8 single bonds, 4 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 5 amide groups, and 1 halo group.",Cc1cccc(C(=O)Nc2cccc(F)c2)c1NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)N(C)C)c2C)CC1)C(C)C
AddComponent,Please add a carboxyl to the molecule Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[NH+](C)C3)cc1.,Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])C(C(=O)O)C[NH+](C)C3)cc1
SubComponent,Modify the molecule halo by substituting a COc1ccc(N2CC(C(=O)NC3CCCC3)CC2=O)cc1Cl with a nitro.,COc1ccc(N2CC(C(=O)NC3CCCC3)CC2=O)cc1NO
DelComponent,Please remove a Cn1ccnc1CNC(=O)CSC1CC[NH2+]CC1 from the molecule amide.,Cn1ccnc1CSC1CC[NH2+]CC1
LogP,Optimize the molecule CS(=O)(=O)N1CC[NH+](Cc2cccc(N)c2F)CC1 to have a lower LogP value.,CS(=O)(=O)N1CC[NH+](Cc2cc(N)cc(N)c2F)CC1
MR,Please modify the molecule CC1=C(Cc2ccc(F)cc2F)N(Cl)CC=C1 to increase its MR value.,CC1=C(Cc2ccc(O)cc2F)N(Cl)CC=C1
QED,Modify the molecule COCc1nc(CCOCC(F)F)oc1C(=O)OC to decrease its QED value.,COCc1nc(CCOCC(F)S)oc1C(=O)OC
AtomNum,"The molecule has 22 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CCc1ccc(C(C)NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1
BondNum,"There is a molecule composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CCOc1ccc(C(=O)c2cccc(Br)c2F)cc1
FunctionalGroup,"Please generate a molecule with 1 amine group, and 3 halo groups.",CCCC(C)Nc1cc(C(F)(F)F)ccn1
AddComponent,Please add a benzene ring to the molecule N#CCC(C[NH3+])c1c[nH]c2c(F)cccc12.,N#CCC(C[NH3+])c1c[nH]c2c(F)ccc(-c3ccccc3)c12
SubComponent,Substitute a halo in the molecule CCC[NH2+]C(CC1(OC)CCC1)c1c(Br)cnn1C with a carboxyl.,CCC[NH2+]C(CC1(OC)CCC1)c1c(C(=O)[OH])cnn1C
DelComponent,Modify the molecule hydroxyl by removing a Nc1ncnc2c1ncn2C1CC(O)C(COS(=O)(=O)[N-]C(=O)OCC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4cccs4)C3S(=O)C2)O1.,Nc1ncnc2c1ncn2C1CCC(COS(=O)(=O)[N-]C(=O)OCC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4cccs4)C3S(=O)C2)O1
LogP,Please modify the molecule Cc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)c4cc(F)ccc4F)ccc3s2)cc1 to decrease its LogP value.,Cc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)c4cc(C#N)ccc4F)ccc3s2)cc1
MR,Please optimize the molecule CCCCCCCCC1OC(=O)C(Sc2ccccc2)C1CC(=O)[O-] to have a higher MR value.,CC(O)CCCCCCC1OC(=O)C(Sc2ccccc2)C1CC(=O)[O-]
QED,Modify the molecule N#Cc1ccnc(Oc2ccc(C(=O)[O-])cc2)n1 to increase its QED value.,N#Cc1nc(Oc2ccc(C(=O)[O-])cc2)ncc1O
AtomNum,"There is a molecule composed of 25 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Cc1ccc(N(Cc2ccccc2)Cc2nnc3n(C)c(=O)c4ccccc4n23)cc1
BondNum,"There is a molecule consisting of 17 single bonds, 4 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",CCOc1cc(C=C2SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OC(=O)c1cccc(Cl)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, and 1 halo group.",COc1ccc2c(Nc3cccc(Cl)c3C)ccnc2c1
AddComponent,Add a benzene ring to the molecule CN(Cc1ncnn1C)C(=O)c1ccccc1I.,CN(Cc1nc(-c2ccccc2)nn1C)C(=O)c1ccccc1I
SubComponent,Modify the molecule halo by substituting a CC(=O)C(C)(C)c1ccc(Br)s1 with a aldehyde.,CC(=O)c1ccc(C(C)(C)C(C)=O)s1
DelComponent,Modify the molecule hydroxyl by removing a CCCCc1ccc(Oc2ccc(C(C)O)cc2F)cc1.,CCCCc1ccc(Oc2ccc(CC)cc2F)cc1
LogP,Please optimize the molecule COc1cc(OC)cc(N(CC[NH3+])c2ccc3ncc(-c4cnn(CCC[NH3+])c4)nc3c2)c1 to have a lower LogP value.,COc1cc(OCO)cc(N(CC[NH3+])c2ccc3ncc(-c4cnn(CCC[NH3+])c4)nc3c2)c1
MR,Optimize the molecule CN(C)CC[NH+](C)CCOc1ccc(CC#N)cc1 to have a higher MR value.,CN(C)CC[NH+](C)CCOc1ccc(CS)cc1
QED,Please optimize the molecule Cc1cc2c(cc1N1Cc3cnc(Cl)cc3NC1=O)OC(c1ncccc1F)CC2 to have a higher QED value.,Cc1cc2c(cc1N1Cc3cnc(O)cc3NC1=O)OC(c1ncccc1F)CC2
AtomNum,"The molecule contains 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 fluorine atoms.",CC(C)N(C(=O)C=Cc1ccccc1OC(F)F)C1CC1
BondNum,"The molecule contains 9 single bonds, 1 double bond, 7 rotatable bonds, and 22 aromatic bonds.",O=C(Cc1csc(-c2ncn[nH]2)n1)Nc1cccc(COc2cccc(F)c2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ester group, and 1 sulfone group.",O=C1OC2(CCN(S(=O)(=O)C=Cc3ccccc3)CC2)c2ccccc21
AddComponent,Modify the molecule COC(C)(C)CCCCI by adding a aldehyde.,COC(C)(CCC=O)CCCCI
SubComponent,Please substitute a halo in the molecule COc1ccc(-c2cccc(F)c2C(=O)Nc2cccc3cccnc23)cc1 with a hydroxyl.,COc1ccc(-c2cccc(O)c2C(=O)Nc2cccc3cccnc23)cc1
DelComponent,Please remove a amine from the molecule CCCc1nc(C2(C(F)(F)F)CCNC2)n(C)n1.,CCCc1nc(C2(C(F)(F)F)CCC2)n(C)n1
LogP,Optimize the molecule CC(C)CC[NH+](C)CCCCC(C)(O)C[NH3+] to have a lower LogP value.,CC(C)C(O)C[NH+](C)CCCCC(C)(O)C[NH3+]
MR,Modify the molecule CC(C)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(N)=O)C(C)O)C(C)C)C(=O)[O-] to increase its MR value.,CC(C)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(N)=O)C(C)O)C(C)CO)C(=O)[O-]
QED,Modify the molecule CCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)CC(F)(F)F)CC1 to have a lower QED value.,CC(=O)C(F)(F)CC(=O)N1CC[NH+](CC(=O)Nc2ccccc2CC)CC1
AtomNum,"The molecule consists of 14 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CN(C)C(=O)c1ccc(NCCN2CC[NH2+]CC2)nc1
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 2 rotatable bonds, and 11 aromatic bonds.",O=C(c1n[nH]c(=O)c2ccccc12)N1CC[NH+](C2CCCC2)CC1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, and 1 hydroxyl group.",CC(CCC(=O)[O-])(c1ccc(O)cc1)c1ccccc1O[PH+]([O-])c1ccccc1
AddComponent,Please add a hydroxyl to the molecule O=S1(=O)CCC([NH2+]CC2CCOc3ccccc32)CC1.,O=S1(=O)CCC([NH2+]CC2(O)CCOc3ccccc32)CC1
SubComponent,Substitute a halo in the molecule COc1ccc(C)cc1NC(=O)CNc1ccc(F)cc1 with a carboxyl.,COc1ccc(C)cc1NC(=O)CNc1ccc(C(=O)[OH])cc1
DelComponent,Remove a nitrile from the molecule C[Si](C)(C)OC1(C#N)CCSc2ccc(Cl)cc21.,C[Si](C)(C)OC1CCSc2ccc(Cl)cc21
LogP,Please modify the molecule NC(=NCC[NH2+]Cc1ccon1)N[N+](=O)[O-] to decrease its LogP value.,NC(=NCC[NH2+]Cc1ccon1)N[SH]=O
MR,Optimize the molecule COc1ccc(NC(=O)C(c2ccccc2)[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 to have a higher MR value.,COc1ccc(NC(=O)C(c2ccccc2)[NH+]2CCN(c3ccc(S)cc3)CC2)cc1
QED,Please optimize the molecule CCNC(=O)c1ccc(N)c(N(C)CC2CCC[NH+]2C)c1 to have a lower QED value.,CCNC(=O)NN(C)CC1CCC[NH+]1C
AtomNum,"The molecule has 32 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",CCOc1ncccc1C1(C(=O)NN2CCC([NH+]3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2cc(F)c(F)cc21
BondNum,"Please generate a molecule with 13 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CN(Cc1ccsc1)C(C)(C[NH3+])C1CCOC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, and 1 halo group.",CCOC1CC[NH+](Cc2c(N)cccc2Br)CC1
AddComponent,Modify the molecule COCCN1CC2(CC[NH+](Cc3c[nH+]c(C)[nH]3)CC2)CC1=O by adding a hydroxyl.,COCCN1CC2(CC[NH+](C(O)c3c[nH+]c(C)[nH]3)CC2)CC1=O
SubComponent,Substitute a nitrile in the molecule N#Cc1ccc(S(=O)(=O)N2CCS(=O)CC2)cc1Cl with a hydroxyl.,O=S1CCN(S(=O)(=O)c2ccc(O)c(Cl)c2)CC1
DelComponent,Please remove a halo from the molecule N#CC1=CCC([NH2+]CCCBr)C=C1.,CCC[NH2+]C1C=CC(C#N)=CC1
LogP,Modify the molecule CC[NH2+]C1CCN(c2c(C)cc(C)cc2Cl)CC1 to decrease its LogP value.,CC[NH2+]C1CCN(c2ccc(C)cc2C)CC1
MR,Please modify the molecule COC(CNC(=O)Cc1ccccc1Cl)c1ccsc1 to decrease its MR value.,COC(CNC(=O)CCl)c1ccsc1
QED,Please modify the molecule O=C([O-])CCCCC(=O)NCc1ccccc1-c1ccc(C2OC(CSc3ccc(C(=O)[O-])cc3)CC(c3ccc(CO)cc3)O2)cc1 to increase its QED value.,O=C([O-])CCCCC(=O)NCc1ccccc1-c1ccc(C2OC(CO)CC(CSc3ccc(C(=O)[O-])cc3)O2)cc1
AtomNum,"The molecule has 33 carbon atoms, 6 fluorine atoms, and 1 phosphorus atom.",FC(F)(F)c1cccc(C(c2cccc(C(F)(F)F)c2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1
BondNum,"The molecule is composed of 33 single bonds, and 5 rotatable bonds.",CC(C)CCCC(C)C1CCC2C3CCC4CC5(O)CC5CC4(C)C3CCC12C
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 4 halo groups.",CC=CCOC1CCC(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CC2)CC1
AddComponent,Modify the molecule CCOc1nc2nc(n1)Nc1ccc(C(=O)N3CCC(CC(C)=O)C3)c(c1)OCCCCCCCCOc1ccc(cc1)CN2 by adding a hydroxyl.,CCOc1nc2nc(n1)Nc1ccc(C(=O)N3CCC(CC(=O)CO)C3)c(c1)OCCCCCCCCOc1ccc(cc1)CN2
SubComponent,Please substitute a Cn1c(NC(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)cc(=O)n(C)c1=O in the molecule halo with a hydroxyl.,Cn1c(NC(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3ccc(O)s3)cc2)cc(=O)n(C)c1=O
DelComponent,Modify the molecule hydroxyl by removing a Cc1cc(C(CCc2cc(I)c([O-])c(I)c2)(CCc2cc(I)c(O)c(C(=O)OCc3ccccc3)c2)c2cc(C)c(O)c(I)c2)cc(I)c1O.,Cc1cc(I)cc(C(CCc2cc(I)c([O-])c(I)c2)(CCc2cc(I)c(O)c(C(=O)OCc3ccccc3)c2)c2cc(C)c(O)c(I)c2)c1
LogP,Optimize the molecule Cc1nn(CC(F)F)c2ccc(Nc3nc(NC(C[NH3+])CC(C)C)c(F)cc3C(N)=O)cc12 to have a lower LogP value.,Cc1nn(CC(F)F)c2ccc(Nc3nc(NC(C[NH3+])CC(C)CO)c(F)cc3C(N)=O)cc12
MR,Optimize the molecule CC(=CC(=O)[O-])c1ccc(-c2ccc(F)c(F)c2)o1 to have a higher MR value.,CC(=CC(=O)[O-])c1cc(C(=O)O)c(-c2ccc(F)c(F)c2)o1
QED,Please optimize the molecule Cc1cccc(Oc2cc(Br)ccc2CC(C)[NH3+])c1 to have a lower QED value.,Cc1cccc(Oc2ccccc2CC(C)[NH3+])c1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CC(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1
BondNum,"The molecule consists of 13 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",c1nc(C2CCCC2)oc1C1CCCC[NH2+]1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 2 halo groups.",CC(C)(C([NH3+])Cc1c(F)cccc1F)N1CCCCC1
AddComponent,Add a hydroxyl to the molecule CCOc1ccc(C)cc1S(=O)(=O)NCC(C)(O)c1ccccc1.,CCOc1ccc(C)cc1S(=O)(=O)NCC(C)(O)c1cccc(O)c1
SubComponent,Substitute a hydroxyl in the molecule CCOC(=O)c1cccc(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1 with a nitro.,CCOC(=O)c1cccc(Nc2c(Nc3cccc(C(=O)N(C)C)c3NO)c(=O)c2=O)c1
DelComponent,Remove a halo from the molecule C[n+]1cccc(-c2noc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)c1.,C[n+]1cccc(-c2noc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)F)n2)c1
LogP,Optimize the molecule COC(=O)c1cc(NCCc2ccccc2F)ncc1N to have a lower LogP value.,COC(=O)c1cc(NCCc2ccccc2C(=O)[OH])ncc1N
MR,Modify the molecule CC(=O)NCc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 to have a lower MR value.,CC(=O)NCC(=O)OCc1cccc([N+](=O)[O-])c1
QED,Modify the molecule CC(Nc1c(Cl)cc(Cl)c2c1N=S=N2)c1cscn1 to have a lower QED value.,CC(Nc1c(NO)cc(Cl)c2c1N=S=N2)c1cscn1
AtomNum,"There is a molecule composed of 11 carbon atoms, 1 nitrogen atom, 3 fluorine atoms, and 1 chlorine atom.",[NH3+]C(c1cc(Cl)c(F)c(C(F)F)c1)C1CC1
BondNum,"The molecule has 20 single bonds, 3 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",CCCCCOc1ccc(C2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(OC)cc(OC)c2)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 3 amide groups, and 2 halo groups.",NC(=O)C1CCCN(c2ccc(NC(=O)C3CC(=O)N(c4ccc(F)cc4F)C3)cn2)C1
AddComponent,Please add a amine to the molecule CCOCC(C)Oc1ccc(F)cc1C(=O)[O-].,CCOCC(C)Oc1cc(N)c(F)cc1C(=O)[O-]
SubComponent,Please substitute a halo in the molecule ON=CCc1c(F)cccc1Cl with a aldehyde.,CC(=O)c1cccc(Cl)c1CC=NO
DelComponent,Please remove a benzene ring from the molecule CC1Cc2ccccc2N1C(=O)c1ccc(=O)n(Cc2ccccc2)n1.,CC1Cc2ccccc2N1C(=O)c1ccc(=O)n(C)n1
LogP,Please modify the molecule [NH3+]C1CCCc2c1c(C(=O)[O-])nn2Cc1ccc(F)c(Cl)c1 to decrease its LogP value.,[NH3+]C1CCCc2c1c(C(=O)[O-])nn2Cc1cccc(Cl)c1
MR,Modify the molecule CCOCCCNC(=O)c1c(O)cccc1O to increase its MR value.,CC(N)OCCCNC(=O)c1c(O)cccc1O
QED,Modify the molecule O=S1(=O)CCC([NH2+]CCCC2CCCCC2O)c2ccccc21 to have a lower QED value.,O=S1(=O)CCC([NH2+]CCCC2CCCCC2I)c2ccccc21
AtomNum,"The molecule consists of 19 carbon atoms, 4 nitrogen atoms, and 1 fluorine atom.",Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1F
BondNum,"There is a molecule with 17 single bonds, 2 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",[NH3+]C(CC(=O)N1CCn2nnc(-c3ccc([N+](=O)[O-])o3)c2C1)Cc1cc(F)c(F)cc1F
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amide groups, 1 amine group, and 1 nitrile group.",CC(=O)N(C=C(C#N)C(=O)N1CCN(CC[NH3+])CC1)c1ccc(N)cc1
AddComponent,Modify the molecule C=CCn1nc(C)c(CCC(=O)Nc2nc3ccccc3s2)c1C by adding a benzene ring.,C=CCn1nc(C)c(C(CC(=O)Nc2nc3ccccc3s2)c2ccccc2)c1C
SubComponent,Substitute a halo in the molecule CC1CCC([NH+](C)CC(C)C([NH3+])c2ccc(F)cn2)CC1 with a hydroxyl.,CC1CCC([NH+](C)CC(C)C([NH3+])c2ccc(O)cn2)CC1
DelComponent,Please remove a benzene ring from the molecule CCN(CCc1ccccc1)C(=O)c1cnc(C)cn1.,CCN(CC)C(=O)c1cnc(C)cn1
LogP,Optimize the molecule Cn1ncc(NC2CCC[NH+](C)C2)c(Br)c1=O to have a lower LogP value.,Cn1ncc(NC2CCC[NH+](C)C2)cc1=O
MR,Modify the molecule COc1cc(C(F)(F)F)c(C(=O)Cl)c(C(F)(F)F)n1 to have a higher MR value.,COc1cc(C(F)(F)C#N)c(C(=O)Cl)c(C(F)(F)F)n1
QED,Please modify the molecule [NH3+]C1C2C=C(CO)C(C2)C1O to decrease its QED value.,[NH3+]C1C2C=C(CS)C(C2)C1O
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",Nc1ccc(CC[NH+]2CCSCC2)cc1
BondNum,"Please generate a molecule consisting 13 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",Cc1c(B2OC(C)(C)C(C)(C)O2)ccnc1CO
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, and 1 halo group.",COCCN(CC1C[NH+](Cc2ccccc2Cl)CCO1)C(=O)c1ccc(OC)cc1
AddComponent,Please add a amine to the molecule Cc1cccc(N2CCC=N2)c1O.,Cc1cccc(N2N=CCC2N)c1O
SubComponent,Please substitute a halo in the molecule COc1cc(C([O-])=C2C(=O)C(=O)N(c3ccc(C(C)C)cc3)C2c2ccc(C(C)C)cc2)ccc1Cl with a hydroxyl.,COc1cc(C([O-])=C2C(=O)C(=O)N(c3ccc(C(C)C)cc3)C2c2ccc(C(C)C)cc2)ccc1O
DelComponent,Please remove a OCCC1CCCCN1CC1CCCC[NH2+]1 from the molecule hydroxyl.,CCC1CCCCN1CC1CCCC[NH2+]1
LogP,Please optimize the molecule CC(C[NH3+])N(C)C(=O)c1cc2c(cc1F)NC(=O)CC2 to have a lower LogP value.,CC(C[NH3+])N(C)C(=O)c1cc2c(cc1F)NC(=O)CC2O
MR,Please optimize the molecule C[NH2+]C1CN(c2ccc(N)c(C(O)CO)c2)CC1O to have a higher MR value.,C[NH2+]C1CN(c2ccc(N)c(C(CO)NO)c2)CC1O
QED,Please modify the molecule C=CCN(Cc1ccccc1)C(=O)C1C2SC3(CC2Br)C1C(=O)N(CCCO)C3C(=O)N(CC=C)CC[NH+]1CCOCC1 to increase its QED value.,C=CCN(Cc1ccccc1)C(=O)C1C2SC3(CC2Br)C1C(=O)N(CCC)C3C(=O)N(CC=C)CC[NH+]1CCOCC1
AtomNum,"There is a molecule composed of 13 carbon atoms, and 3 oxygen atoms.",O=C([O-])CCC1CCOC2(CCCCC2)C1
BondNum,"The molecule has 9 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",CC1(C)CC1Nc1ccc([N+](=O)[O-])c2cccnc12
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",Cc1ccc(-c2c(CC(=O)[O-])c(C)cc3c2CCN3C(=O)c2ccncc2)cc1
AddComponent,Please add a amine to the molecule CSc1ccccc1C(O)c1cccc2ccsc12.,CSc1ccccc1C(O)c1cc(N)cc2ccsc12
SubComponent,Please substitute a Cc1ccc(C2CC([NH3+])CN(Cc3cccc(Cl)c3)C2)cc1 in the molecule halo with a hydroxyl.,Cc1ccc(C2CC([NH3+])CN(Cc3cccc(O)c3)C2)cc1
DelComponent,Modify the molecule O=C(NC1CC1)c1cc(-c2ccccc2F)nn1-c1ccc(F)cc1 by removing a benzene ring.,O=C(NC1CC1)c1cc(-c2ccccc2F)nn1F
LogP,Please modify the molecule CC(C)NCCS(=O)(=O)Nc1cccc2cccnc12 to increase its LogP value.,CC(C)NCCS(=O)(=O)c1cccc2cccnc12
MR,Please optimize the molecule CC([NH3+])C(=O)OC1CCC(NC(=O)C2[NH2+]C(CC(C)(C)C)C3(C(=O)Nc4cc(Cl)ccc43)C2c2cccc(Cl)c2F)C1 to have a lower MR value.,CC([NH3+])C(=O)OC1CCC(NC(=O)C2[NH2+]C(CC(C)(C)C)C3(C(=O)Nc4cc(C#N)ccc43)C2c2cccc(Cl)c2F)C1
QED,Modify the molecule Cc1sc(N)cc1-c1ccc(F)cc1 to have a lower QED value.,Cc1sc(N)cc1-c1ccc(NO)cc1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cccc(N)c1S(=O)(=O)NCC1(C(C)C)CC1
BondNum,"The molecule is composed of 16 single bonds, 1 double bond, 10 rotatable bonds, and 17 aromatic bonds.",CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2OCC(F)(F)F)s1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 ester groups, and 1 halo group.",CCOC(=O)C1=C(COC(=O)Cc2ccc(Cl)cc2)NC(=O)NC1c1ccco1
AddComponent,Modify the molecule c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)nc3ccccc32)cc1 by adding a benzene ring.,c1ccc(-c2ccc3c(-c4nc(-c5cccc6ccccc56)nc(-n5c6ccccc6c6cc(-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)ccc65)n4)cccc3c2)cc1
SubComponent,Please substitute a halo in the molecule COC(=O)C(Cc1cc(Cl)ccc1Br)NC(=O)C(C)C with a aldehyde.,CC(=O)c1ccc(Br)c(CC(NC(=O)C(C)C)C(=O)OC)c1
DelComponent,Remove a CC(C(=O)[O-])C(=O)NCCCCC(F)(F)F from the molecule halo.,CC(C(=O)[O-])C(=O)NCCCCC(F)F
LogP,Modify the molecule CC1(C)C=C(CCSC(N)=[NH2+])C(C)(C)N1[O-] to decrease its LogP value.,CC1(CO)C=C(CCSC(N)=[NH2+])C(C)(C)N1[O-]
MR,Optimize the molecule Clc1ccc(OCC2C[NH2+]CCO2)cc1Cl to have a lower MR value.,N#Cc1ccc(OCC2C[NH2+]CCO2)cc1Cl
QED,Modify the molecule CCCCNC(=O)c1cccc(Br)c1N to increase its QED value.,CCCCNC(=O)c1cccc(Br)c1
AtomNum,"Please generate a molecule with 16 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CCCCSc1nnc(NC(=O)CCC(=O)N2CC(C)OC(C)C2)s1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, and 4 rotatable bonds.",CC1CC1C(=O)NCCC[NH3+]
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ketone group, 1 amide group, and 2 halo groups.",O=C(NC1(C(=O)COc2ccc(Cl)cc2Cl)CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2
AddComponent,Please add a benzene ring to the molecule O=C1CCC(C(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)CN1.,O=C1CCC(C(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)C(c2ccccc2)N1
SubComponent,Modify the molecule CCCCCC(CCCCC)Nc1cc(F)c(Br)cc1F by substituting a halo with a hydroxyl.,CCCCCC(CCCCC)Nc1cc(O)c(Br)cc1F
DelComponent,Remove a amine from the molecule Cc1cccc(N2CCN(C(=O)C3CC(c4cccc(Cl)c4)NN3)CC2)c1.,Cc1cccc(N2CCN(C(=O)C3CC(c4cccc(Cl)c4)N3)CC2)c1
LogP,Optimize the molecule CCCC(C#N)C(O)c1coc2ccccc12 to have a higher LogP value.,CCCC(Cl)C(O)c1coc2ccccc12
MR,Modify the molecule N#Cc1cc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1C#N to increase its MR value.,CC(=O)c1cc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1C#N
QED,Please modify the molecule CCCC(C)(C)OS(=O)(=O)C(CC(=O)[O-])C(=O)[O-] to increase its QED value.,CCCC(C)(C)OS(=O)(=O)C(O)(CC(=O)[O-])C(=O)[O-]
AtomNum,"There is a molecule composed of 16 carbon atoms, and 2 nitrogen atoms.",Cc1ccc(C2CCCC2C[NH2+]C(C)(C)C)cn1
BondNum,"There is a molecule consisting of 10 single bonds, 1 rotatable bond, and 6 aromatic bonds.",CC1(C)CC(c2ccc(O)cc2)CC[NH2+]1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, 1 amide group, 1 halo group, and 1 sulfide group.",CCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OCCC(C)C)c(OC)c2)SC1=S
AddComponent,Modify the molecule CCCCCCC=CCCCCCCCCCC=CC(O)C([NH3+])CO by adding a hydroxyl.,CCCCCCC=CCCCCCCCCCC(O)=CC(O)C([NH3+])CO
SubComponent,Modify the molecule hydroxyl by substituting a COCC(C)(CCO)[NH2+]CCc1ccc(C)cc1 with a nitro.,COCC(C)(CCNO)[NH2+]CCc1ccc(C)cc1
DelComponent,Remove a benzene ring from the molecule O=c1cc2n(cc1CCc1ccccc1)CCN=C2.,CCc1cn2c(cc1=O)C=NCC2
LogP,Optimize the molecule O=C([O-])CC1COCCN1c1nccc2ccc(O)cc12 to have a higher LogP value.,O=C([O-])CC1COCCN1c1nccc2ccccc12
MR,Modify the molecule COc1ccc(CNc2ccc(Cl)c(C(=O)[O-])c2)c(OC)c1 to increase its MR value.,COc1ccc(CNc2ccc(S)c(C(=O)[O-])c2)c(OC)c1
QED,Modify the molecule CC(CO)CNC(=O)c1sc2nccnc2c1N to increase its QED value.,CC(C)CNC(=O)c1sc2nccnc2c1N
AtomNum,"Please generate a molecule with 33 carbon atoms, 8 oxygen atoms, 2 nitrogen atoms, 5 fluorine atoms, and 2 chlorine atoms.",O=C([O-])c1ccc(N2C(=O)C3CC=C4C(CC5(Cl)C(=O)N(c6c(F)c(F)c(F)c(F)c6F)C(=O)C5(Cl)C4c4ccccc4O)C3C2=O)cc1O
BondNum,"Please generate a molecule with 20 single bonds, 4 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCCCOC(=O)OC1=C(C)NC2=C(C(=O)OC2)C1c1ccccc1SCc1ccccc1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 3 ester groups, and 9 halo groups.",CCCCCCC(C)OC(=O)c1ccc(-c2ccc(OC(=O)c3ccc(CCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)cc1
AddComponent,Add a carboxyl to the molecule Cc1cc(C)cc(CCNC2=[NH+]CC(C)N2)c1.,Cc1cc(C)cc(CCNC2=[NH+]C(C(=O)O)C(C)N2)c1
SubComponent,Please substitute a halo in the molecule O=C(Nc1ccc(Cl)c(F)c1)c1nccc2ccccc12 with a thiol.,O=C(Nc1ccc(S)c(F)c1)c1nccc2ccccc12
DelComponent,Remove a O=C(NCC1CCC[NH+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 from the molecule halo.,O=C(NCC1CCC[NH+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
LogP,Modify the molecule O=C(Nc1ccnn1C1CCS(=O)(=O)C1)C1CC(=O)N(CC(F)(F)F)C1 to have a lower LogP value.,CC(=O)C(F)(F)CN1CC(C(=O)Nc2ccnn2C2CCS(=O)(=O)C2)CC1=O
MR,Optimize the molecule CCOc1c(Cl)cc(Nc2nc(=O)n(CC(C)C(=O)OC)c(=O)n2Cc2ccc(C)cc2)cc1Cl to have a higher MR value.,CC(=O)c1cc(Nc2nc(=O)n(CC(C)C(=O)OC)c(=O)n2Cc2ccc(C)cc2)cc(Cl)c1OCC
QED,Optimize the molecule O=C(NC1C(O)C(CO)OC(Sc2ccc(Cl)c(Cl)c2)C1O)c1cc(F)c(F)c(F)c1 to have a lower QED value.,O=C(NC1C(O)C(CO)OC(Sc2ccc(S)c(Cl)c2)C1O)c1cc(F)c(F)c(F)c1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCCCCCOCC(O)C[NH2+]C1CCC(=O)NC1=O
BondNum,"Please generate a molecule with 4 single bonds, 2 double bonds, 1 rotatable bond, and 10 aromatic bonds.",COC(=O)c1csc2nc(N)cc(=O)n12
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 halo group.",COc1ccc(Br)cc1C(C[NH3+])N1CCC(C)(C)CC1
AddComponent,Modify the molecule CC1[NH+]=C(C(=O)NCCOc2ccccc2)NN(c2ccccc2)C1=O by adding a carboxyl.,CC1[NH+]=C(C(=O)NCCOc2ccccc2)NN(c2cccc(C(=O)O)c2)C1=O
SubComponent,Please substitute a hydroxyl in the molecule CC1c2ccsc2CCN1c1nccc(C(N)=[NH+]O)n1 with a aldehyde.,CC(=O)[NH+]=C(N)c1ccnc(N2CCc3sccc3C2C)n1
DelComponent,Remove a [NH3+]CCC(O)Cc1cc(F)ccc1Br from the molecule halo.,[NH3+]CCC(O)Cc1ccccc1Br
LogP,Optimize the molecule CCCCOC(=O)C(C#N)c1nc2ccccc2nc1Cl to have a lower LogP value.,CCCCOC(=O)C(C#N)c1nc2ccc(O)cc2nc1Cl
MR,Optimize the molecule CCCCCCCCCC(Cc1ccc(Br)s1)[NH2+]CCC to have a lower MR value.,CCCCCCCCCC(Cc1cccs1)[NH2+]CCC
QED,Modify the molecule COc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc(C)c2)cc1Cl to have a higher QED value.,COc1ccc(Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl
AtomNum,"Please generate a molecule composed of 31 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, 2 sulfur atoms, and 1 fluorine atom.",CC(C)(C)OC(=O)C(CCS(C)(=O)=O)NC(=O)c1ccc(C=C(Cn2ccnc2)c2nccs2)cc1-c1ccc(F)cc1
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",C=CC12CCC(CC1[NH2+]Cc1ccccc1)C2(C)C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, and 2 amine groups.",CC([NH2+]Cc1ccc(C(N)=[NH+]O)cc1)C1CCCO1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(C)c(Br)c1C1(O)CC1.,COc1ccc(C)c(Br)c1C1(O)CC1O
SubComponent,Please substitute a halo in the molecule CCOCCn1c(=NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)sc2cc(Cl)ccc21 with a carboxyl.,CCOCCn1c(=NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)sc2cc(C(=O)[OH])ccc21
DelComponent,Modify the molecule benzene ring by removing a CC(C)c1ccccc1Oc1n[nH]ccc1=O.,CC(C)Oc1n[nH]ccc1=O
LogP,Please modify the molecule CNc1nc(-c2ccc(Br)cn2)ns1 to decrease its LogP value.,CNc1nc(-c2ccccn2)ns1
MR,Modify the molecule COC(=O)C1CCCC(Oc2ccc(-c3nnn(C)c3CCO)nc2C)C1 to decrease its MR value.,CCc1c(-c2ccc(OC3CCCC(C(=O)OC)C3)c(C)n2)nnn1C
QED,Please modify the molecule N=CCN=Nc1cccc(Nc2nc(NC3CCCC3)c(C(N)=O)cc2F)c1 to decrease its QED value.,N#Cc1cc(C(N)=O)c(NC2CCCC2)nc1Nc1cccc(N=NCC=N)c1
AtomNum,"Please generate a molecule with 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",CC[NH2+]C(CC[NH+](C)C(C)CO)c1ccc(Br)cc1Cl
BondNum,"Please generate a molecule composed of 14 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCC[NH2+]C(c1ccc(C)s1)C1SCCSC1C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",CC(C)[NH2+]Cc1ccccc1N1CCN(C)C(=O)C1(C)C
AddComponent,Add a carboxyl to the molecule Cc1cc(C(=O)N(CC[NH+](C)C)CC(C)C)ccc1F.,Cc1cc(C(=O)N(CC(C)C)CC(C(=O)O)[NH+](C)C)ccc1F
SubComponent,Please substitute a hydroxyl in the molecule Cc1cc(O)ccc1NC(=O)c1ccc2nccnc2c1 with a halo.,Cc1cc(Cl)ccc1NC(=O)c1ccc2nccnc2c1
DelComponent,Remove a CN(Cc1nccn1Cc1ccccc1)c1ncc(S(N)(=O)=O)s1 from the molecule benzene ring.,CN(Cc1nccn1C)c1ncc(S(N)(=O)=O)s1
LogP,Optimize the molecule CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=C(Br)C=O to have a lower LogP value.,CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=O
MR,Optimize the molecule O=C(NC1CCCCCC1)c1ccc(C2SCCCS2)cc1 to have a higher MR value.,O=C(NC1CCCC(c2ccccc2)CC1)c1ccc(C2SCCCS2)cc1
QED,Optimize the molecule C[NH2+]CC(C)c1ccc(CN(CC(F)(F)F)C(C)C)cc1 to have a lower QED value.,CC(=O)C(F)(F)CN(Cc1ccc(C(C)C[NH2+]C)cc1)C(C)C
AtomNum,"Please generate a molecule consisting 12 carbon atoms, and 7 nitrogen atoms.",C[NH2+]Cc1nnnn1Cc1ccc2nc(C)[nH]c2c1
BondNum,"The molecule consists of 12 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCC[NH2+]C(C)(CCO)c1cc(F)c(C)cc1F
FunctionalGroup,"The molecule is composed of 1 halo group, 2 thioether groups, and 1 sulfide group.",Cc1nccc(NC(=O)N2CCSCC2)c1Cl
AddComponent,Modify the molecule CC[NH+](CCn1ccc2cc(N)ccc21)Cc1ccccc1 by adding a hydroxyl.,CC[NH+](CCn1ccc2cc(N)ccc21)C(O)c1ccccc1
SubComponent,Substitute a halo in the molecule Cc1ccc(OCC2CCC[NH2+]C2)c(Oc2ccccc2Cl)n1 with a nitrile.,Cc1ccc(OCC2CCC[NH2+]C2)c(Oc2ccccc2C#N)n1
DelComponent,Modify the molecule benzene ring by removing a CCn1ncc(OC)c1C([NH3+])c1cc(C)cc(C)c1.,CCC([NH3+])c1c(OC)cnn1CC
LogP,Please optimize the molecule CC(C)CNC(=S)NCCc1ccc(Cl)cc1 to have a lower LogP value.,CC(C)CNC(=S)NCCCl
MR,Modify the molecule COC(=O)c1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 to decrease its MR value.,COC(=O)c1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1
QED,Please modify the molecule Fc1ccc(Nc2cc(NCCc3cccc(Cl)c3)ncn2)cc1F to decrease its QED value.,Oc1ccc(Nc2cc(NCCc3cccc(Cl)c3)ncn2)cc1F
AtomNum,"There is a molecule composed of 25 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COCN(C(=O)OC)c1ccccc1CON=C(C)c1ccc(Oc2ccccc2)cc1
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",COc1ccc(C(=O)Nc2nc3c(OC)cccc3s2)cc1OC
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 3 amide groups, 1 amine group, 1 halo group, 1 thioether group, and 1 sulfide group.",Cc1c(Cl)cccc1NC(=O)CNC(=O)CNc1ccccc1SCC(N)=O
AddComponent,Add a carboxyl to the molecule COc1ccc(CCNc2cc(NCc3cccnc3)nc(C)n2)cc1OC.,COc1ccc(CCNc2cc(NCc3cccnc3)nc(CC(=O)O)n2)cc1OC
SubComponent,Please substitute a nitrile in the molecule CNC(C#N)CSC(C)C(C)C with a hydroxyl.,CNC(O)CSC(C)C(C)C
DelComponent,Please remove a halo from the molecule Cc1csc(SCC(=O)Nc2cc(F)ccc2C)n1.,Cc1csc(SCC(=O)Nc2ccccc2C)n1
LogP,Modify the molecule CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)c3ccc4c(c3)CCC4)o2)cc1 to have a lower LogP value.,CC(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCC3)o1
MR,Optimize the molecule CCOP(=O)(CSc1nc(-c2ccnc(NC(C)c3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1)OCC to have a lower MR value.,CCOP(=O)(CSc1nc(-c2ccnc(C(C)c3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1)OCC
QED,Modify the molecule CC(C)[NH2+]Cc1ncoc1-c1cccc(F)c1Br to decrease its QED value.,CC(C)[NH2+]Cc1ncoc1-c1cccc(C#N)c1Br
AtomNum,"The molecule has 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",CC[NH+](CC)C(C)(C)C(=O)c1ccccc1OC(F)(F)F
BondNum,"There is a molecule consisting of 7 single bonds, 1 double bond, 4 rotatable bonds, and 37 aromatic bonds.",Cc1c(-n2c(-c3ccccc3)c(-c3ccccc3)c3c2ncn2nc([S-])nc32)n(C)n(-c2ccccc2)c1=O
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amine group, and 1 halo group.",COc1cc(NCc2ccc(CC(=O)[O-])cc2)ccc1Br
AddComponent,Add a carboxyl to the molecule CCSCCNc1ccc(C#N)c(C(F)(F)F)c1.,CCSC(CNc1ccc(C#N)c(C(F)(F)F)c1)C(=O)O
SubComponent,Substitute a hydroxyl in the molecule C=CCC(O)(C(=O)N1CCCC1)c1ccccc1 with a halo.,C=CCC(F)(C(=O)N1CCCC1)c1ccccc1
DelComponent,Modify the molecule benzene ring by removing a COc1cccc(NC(=O)C[NH+](C)Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)c1.,CONC(=O)C[NH+](C)Cc1nnc(C(=O)NCc2ccc(F)cc2)s1
LogP,Modify the molecule CCCNc1ccnc(N2CCCC(C(=O)N(CC)CC)C2)n1 to have a higher LogP value.,CCCNc1ccnc(N2CCC(C(C)CC)C2)n1
MR,Optimize the molecule CCSCCCC1(c2ccccc2F)C[NH2+]C1 to have a higher MR value.,CCSCCCC1(c2c(F)cccc2S)C[NH2+]C1
QED,Optimize the molecule CCn1c(CNC(=O)[O-])nc2ccc(C(F)(F)F)cc21 to have a lower QED value.,CCn1c(CNC(=O)[O-])nc2ccc(C(F)F)cc21
AtomNum,"Please generate a molecule with 11 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CCn1c(CCl)nnc1-c1ccc(F)cc1[N+](=O)[O-]
BondNum,"The molecule consists of 9 single bonds, 3 double bonds, 1 triple bond, 2 rotatable bonds, and 12 aromatic bonds.",N#Cc1cccc(S(=O)(=O)N2CC(=O)Nc3ccc(F)cc32)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, 1 nitro group, 1 halo group, and 1 sulfone group.",Nc1c(Cl)cc([N+](=O)[O-])cc1S(=O)(=O)[O-]
AddComponent,Add a hydroxyl to the molecule CCC([NH3+])(CC)c1nc(C2Cc3ccccc3C2)no1.,CCC([NH3+])(CCO)c1nc(C2Cc3ccccc3C2)no1
SubComponent,Modify the molecule CCN1CC([NH2+]CC2CC2)CC(c2ccc(F)cc2)C1 by substituting a halo with a carboxyl.,CCN1CC([NH2+]CC2CC2)CC(c2ccc(C(=O)[OH])cc2)C1
DelComponent,Modify the molecule benzene ring by removing a O=P([O-])([O-])OC1C(O)C(O)C2OP(=O)(OCc3ccccc3)OC1C2OP(=O)([O-])[O-].,COP1(=O)OC2C(O)C(O)C(OP(=O)([O-])[O-])C(O1)C2OP(=O)([O-])[O-]
LogP,Please optimize the molecule CCN(CC)C(=O)c1ccc(C)c(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccccc4C)ccc3Cl)CC2)c1 to have a lower LogP value.,CCN(CC)C(=O)CNC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3ccccc3C)ccc2Cl)CC1
MR,Modify the molecule CC1(CNS(=O)(=O)c2cccc(C[NH3+])c2)CCCCC1 to decrease its MR value.,CC1(CS(=O)(=O)c2cccc(C[NH3+])c2)CCCCC1
QED,Please modify the molecule CC(C)CCN(C)C(=O)c1cnccc1Cl to decrease its QED value.,CC(C)CCN(C)C(=O)c1cccnc1
AtomNum,"There is a molecule with 22 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CN(CCOC(=O)Nc1ccc2ccccc2c1)C(=O)NCc1ccccc1Cl
BondNum,"The molecule has 18 single bonds, 4 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1cc(OC)c(C=NN2C(=O)C3C4C=CC(C4)C3C2=O)cc1Cl
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 halo group, and 1 nitrile group.",CC(C(=O)Nc1cccc(Cl)c1)[NH+]1CCCN(c2ncccc2C#N)CC1
AddComponent,Add a carboxyl to the molecule COCCCCC(=O)NCCCCC(NC(=O)C(CCCCNC(=O)CCCCOC)C1CCC1C(=O)CCCCOC)C(=O)OC.,COCCCCC(=O)NCCCCC(NC(=O)C(CCCCNC(=O)CCCCOC)C1CCC1(C(=O)O)C(=O)CCCCOC)C(=O)OC
SubComponent,Please substitute a halo in the molecule COC(=O)C(OC(C)(C)C)c1c(C)c(N(CC2CCCC[NH2+]2)S(C)(=O)=O)c(Br)c(C)c1-c1ccc(C)cc1 with a thiol.,COC(=O)C(OC(C)(C)C)c1c(C)c(N(CC2CCCC[NH2+]2)S(C)(=O)=O)c(S)c(C)c1-c1ccc(C)cc1
DelComponent,Modify the molecule COc1cc2nc(Nc3cccc(C)c3C)sc2cc1OC by removing a amine.,COc1cc2nc(-c3cccc(C)c3C)sc2cc1OC
LogP,Please optimize the molecule COc1cc(OC)cc(C([NH3+])Cc2ccncc2Cl)c1 to have a lower LogP value.,COc1cc(OC)cc(C([NH3+])Cc2ccncc2NO)c1
MR,Please modify the molecule CCOC(=O)C1CC[NH+](Cc2c3occ(-c4ccc(OC)cc4)c(O)c-3ccc2=O)CC1 to decrease its MR value.,CCOC(=O)C1CC[NH+](Cc2c3occ(OC)c(O)c-3ccc2=O)CC1
QED,Please optimize the molecule COc1cccc(Nc2nncc(NCCc3c[nH]c4ccccc34)n2)c1 to have a higher QED value.,COc1cccc(Nc2nncc(CCc3c[nH]c4ccccc34)n2)c1
AtomNum,"The molecule is composed of 18 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC[NH+](CC)CC1CCN(C(=O)Nc2cccc3c2OCO3)CC1
BondNum,"There is a molecule with 7 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",O=C(NCc1ccc(C(=O)[O-])cc1)Nc1ccc2cn[nH]c2c1
FunctionalGroup,"Please generate a molecule with 3 halo groups, and 1 sulfide group.",CC12CC3CC(C)(C1)CC(C(Br)c1cc(Br)c(Br)s1)(C3)C2
AddComponent,Add a benzene ring to the molecule FC(F)CNC1=[NH+]CC(C2CC2)S1.,FC(F)CNC1=[NH+]CC(C2(c3ccccc3)CC2)S1
SubComponent,Substitute a halo in the molecule CN(Cc1csc(Br)c1)c1nc(N)ns1 with a hydroxyl.,CN(Cc1csc(O)c1)c1nc(N)ns1
DelComponent,Remove a halo from the molecule O=C(Nc1cc(F)c(F)cc1C(=O)[O-])OCC1c2ccccc2-c2ccccc21.,O=C(Nc1cc(F)ccc1C(=O)[O-])OCC1c2ccccc2-c2ccccc21
LogP,Optimize the molecule CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1)C(C)(C)C to have a lower LogP value.,CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(CC(=O)NC1CCCCC1)C(C)(C)C
MR,Modify the molecule CC(CCc1ccc(O)cc1)NC(=O)NCCc1c[nH]c2ccccc12 to increase its MR value.,CC(CCc1ccc(NO)cc1)NC(=O)NCCc1c[nH]c2ccccc12
QED,Modify the molecule CC1=c2c(-c3ccc(C)cc3)ccc(-c3ccc(C)cc3)c2=CC1 to have a higher QED value.,CC1=c2c(-c3ccc(C)cc3)ccc(C)c2=CC1
AtomNum,"Please generate a molecule composed of 24 carbon atoms, and 5 nitrogen atoms.",Cc1nn(-c2ccccc2)cc1C[NH+]1CCc2nc(C3CCCCC3)ncc2C1
BondNum,"The molecule has 11 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(OCC(=O)NN=Cc2ccc(OC)cc2O)cc1
FunctionalGroup,"The molecule consists of 2 amine groups, and 1 sulfide group.",CCCCC(C)Nc1snc(N)c1C
AddComponent,Add a hydroxyl to the molecule CCn1nc(C)c(CNC(=O)NCc2ccc(F)cc2)c1C.,CCn1nc(C)c(C(O)NC(=O)NCc2ccc(F)cc2)c1C
SubComponent,Substitute a halo in the molecule Cc1c(C(N)=O)sc(NC(=O)c2ccn(COc3ccc(Cl)cc3Cl)n2)c1C(=O)OC(C)C with a hydroxyl.,Cc1c(C(N)=O)sc(NC(=O)c2ccn(COc3ccc(O)cc3Cl)n2)c1C(=O)OC(C)C
DelComponent,Remove a CCN1C(=O)COc2c(OC)cc(C=O)cc21 from the molecule amide.,COc1cc(C=O)cc2c1OC2C
LogP,Please modify the molecule NC(=O)CC(NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CO)C(=O)[O-] to increase its LogP value.,CC(=O)CC(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CC(N)=O)NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)NC(CO)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CO)C(=O)[O-]
MR,Modify the molecule Cc1cccc(N2CC[NH+](CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)c1C to increase its MR value.,Cc1cccc(N2CC[NH+](CC(=O)N3CCN(C(=O)c4cccs4)C(CC=O)C3)CC2)c1C
QED,Modify the molecule CN=C1c2cc(Cl)ccc2-c2nc(C#N)c(C#N)nc21 to have a higher QED value.,CN=C1c2cc(Cl)ccc2-c2nc(C(=O)[OH])c(C#N)nc21
AtomNum,"The molecule is composed of 39 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 fluorine atom.",CCN(CC)C(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cccc(C(=O)Nc4ccccc4F)c3)CC2)c1C
BondNum,"There is a molecule consisting of 14 single bonds, 3 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",Cc1cc(=O)c(C(=O)N2CCCC(C(=O)Nc3ccccn3)C2)nn1-c1ccc(Cl)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",C[NH2+]C(CC[NH+](C)C1CCOC1)c1cccc(Br)c1
AddComponent,Please add a benzene ring to the molecule CCOC(=O)c1cccc(C(=O)OCC)c1.,CCOC(=O)c1ccc(-c2ccccc2)c(C(=O)OCC)c1
SubComponent,Modify the molecule halo by substituting a Cc1c(C(=O)NCc2ccc(Cl)cc2)cnn1C with a aldehyde.,CC(=O)c1ccc(CNC(=O)c2cnn(C)c2C)cc1
DelComponent,Please remove a halo from the molecule Cn1ncc(Br)c1C([NH3+])CSc1ccccc1F.,Cn1ncc(Br)c1C([NH3+])CSc1ccccc1
LogP,Modify the molecule Cc1ccc(C#N)cc1NCc1cc(F)ccc1C#N to have a lower LogP value.,Cc1ccc(C#N)cc1Cc1cc(F)ccc1C#N
MR,Modify the molecule O=C([O-])CC[NH+]1CCOC(c2ccc(Oc3ccc(F)cc3)cc2)C1 to have a higher MR value.,O=C([O-])CC[NH+]1CCOC(c2ccc(Oc3ccc(F)c(O)c3)cc2)C1
QED,Modify the molecule CCC(C)(O)c1nc2c(N)cccc2o1 to have a lower QED value.,CCC(C)(O)c1nc2c(N)cc(C(=O)O)cc2o1
AtomNum,"The molecule contains 14 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCC(C)(O)CNS(=O)(=O)c1cc(N)cc(C)c1C
BondNum,"The molecule contains 10 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",C[NH+](CCC([NH3+])C(=O)[O-])Cc1ccc(Cl)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 2 amide groups, and 1 sulfide group.",O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3O)CC2)cs1)c1cnccn1
AddComponent,Modify the molecule CC(=O)Nc1ccc(NC(=O)CCCCc2nc3ccccc3s2)cc1 by adding a amine.,CC(=O)Nc1ccc(NC(=O)CCCCc2nc3cc(N)ccc3s2)cc1
SubComponent,Please substitute a hydroxyl in the molecule CN(CCN(C)c1nnc(-c2cccc(Cl)c2Cl)c(N)n1)CC(O)C(F)(F)F with a aldehyde.,CC(=O)C(CN(C)CCN(C)c1nnc(-c2cccc(Cl)c2Cl)c(N)n1)C(F)(F)F
DelComponent,Remove a amide from the molecule CC(C)CC([NH3+])C(=O)N1CCC2OCC(=O)C21.,CC(C)C([NH3+])C1CC2OCC(=O)C21
LogP,Modify the molecule CC[NH+]1CCC(CNC(=O)C2CCC(C[NH3+])O2)CC1 to increase its LogP value.,[NH3+]CC1CCC(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)O1
MR,Optimize the molecule C#CCCC(OC(=O)c1ccccc1)C1CCC(C(CCCCCCCCCCCC)OCOC)O1 to have a lower MR value.,C#CCCC(OC=O)C1CCC(C(CCCCCCCCCCCC)OCOC)O1
QED,Modify the molecule CCOC(=O)C1CCN(c2c(C#N)c(C)nn2C)CC1 to have a lower QED value.,CCOC(=O)C1CCN(c2cc(C)nn2C)CC1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",N#Cc1ccc(-c2nc(NC(=O)[O-])ccc2F)cc1
BondNum,"The molecule has 13 single bonds, 1 double bond, 9 rotatable bonds, and 6 aromatic bonds.",C[NH2+]Cc1ccc(OCC(=O)NCCCOC)c(Cl)c1
FunctionalGroup,Please generate a molecule with and 2 amine groups.,C[NH+]=C(NCC1CCCCC1C)N(C)CCC1CCOCC1
AddComponent,Please add a benzene ring to the molecule CC(OCCOC(C)c1ccc(-c2ccccc2Cl)cc1)c1ccc(-c2ccccc2Cl)cc1.,CC(OCCOC(C)c1ccc(-c2ccccc2Cl)c(-c2ccccc2)c1)c1ccc(-c2ccccc2Cl)cc1
SubComponent,Substitute a halo in the molecule O=C(Nc1ccc2c(c1)N(Cc1ccc(Br)cc1)C(=O)CO2)C(c1ccccc1)c1ccccc1 with a carboxyl.,O=C([OH])c1ccc(CN2C(=O)COc3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc32)cc1
DelComponent,Remove a amine from the molecule COc1ccc(-c2cc3nc(C)c(C)c(NN)n3n2)cc1.,COc1ccc(-c2cc3nc(C)c(C)c(N)n3n2)cc1
LogP,Optimize the molecule ClC12CC3CC(C1)CC(Cl)(C3)C2 to have a lower LogP value.,O=CCC1C2CC3CC(Cl)(C2)CC1(Cl)C3
MR,Optimize the molecule CCCCSc1nc2n(n1)C(c1ccccc1OCc1ccccc1C)C(C(N)=O)=C(C)N2 to have a lower MR value.,CCCCSc1nc2n(n1)C(c1ccccc1OCC)C(C(N)=O)=C(C)N2
QED,Optimize the molecule COCCOCC(CC1(C(=O)NCCCN2CCCC2=O)CCCC1)C(=O)[O-] to have a higher QED value.,CCCCCNC(=O)C1(CC(COCCOC)C(=O)[O-])CCCC1
AtomNum,"The molecule is composed of 28 carbon atoms, 2 oxygen atoms, and 7 nitrogen atoms.",c1ccc2c(OCC3CCCN3c3ncnc4nc[nH]c34)ccc(C[NH2+]CCC[NH+]3CCOCC3)c2c1
BondNum,"The molecule consists of 13 single bonds, 1 double bond, 4 rotatable bonds, and 18 aromatic bonds.",CCS(=O)c1ccc2c(c1)N(c1ncc(-c3cc(C)ccn3)cn1)CC21CC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, and 1 halo group.",CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C2COC(C)(C)O2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(C(=O)N=c2sc(C)c(-c3ccc(F)cc3)n2C)cc1.,Cc1ccc(C(=O)N=c2sc(C)c(-c3ccc(F)c(O)c3)n2C)cc1
SubComponent,Please substitute a halo in the molecule O=C(Nc1cccc(F)c1)C1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1 with a aldehyde.,CC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)c1
DelComponent,Please remove a CN1CC(NC(=O)C2CC3CC(=O)C2C3)CC1=O from the molecule amide.,CCCNC(=O)C1CC2CC(=O)C1C2
LogP,Modify the molecule Cc1ccc(Cl)cc1NC(=O)C(Cl)Cl to decrease its LogP value.,CN(Cl)C(=O)C(Cl)Cl
MR,Modify the molecule CCC(C)(NC(=O)CCc1ccsc1)c1nccs1 to have a lower MR value.,CCC(C)(Cc1ccsc1)c1nccs1
QED,Optimize the molecule COc1cc2cc(C(=O)C3CN(CCl)c4cc(NC(=O)OCc5ncn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OC to have a lower QED value.,COc1cc2cc(C(=O)C3CN(CCl)c4cc(NC(=O)OCc5ncn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OCO
AtomNum,"The molecule has 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCc1ccc(C(=O)NCC(C)(C)[NH+]2CCCC2)cc1
BondNum,"Please generate a molecule composed of 13 single bonds, 4 rotatable bonds, and 22 aromatic bonds.",Cn1cc(-c2nc(C3(c4ccc(-c5cnc6c(c5)CCN6)cc4)CCC3)no2)cn1
FunctionalGroup,"The molecule is composed of 1 amide group, 1 sulfide group, and 1 sulfone group.",CN(C)C(=O)CCCS(=O)(=O)Cc1nc2ccccc2s1
AddComponent,Add a carboxyl to the molecule Cc1cc(-c2ccc(CNc3cccc4nc(-c5ccnc(C)c5)cnc34)cn2)ccn1.,Cc1cc(-c2cnc3c(NCc4ccc(-c5cc(C)nc(C(=O)O)c5)nc4)cccc3n2)ccn1
SubComponent,Modify the molecule hydroxyl by substituting a C=CCNC(=O)C1C2C(=O)OC(c3ccccc3)C(c3ccccc3)[NH+]2C(c2ccc(O)cc2)C12C(=O)N(C(=O)NC(C(=O)OC)C(C)C)c1ccc(C#CCNC(N)=O)cc12 with a aldehyde.,CC(=O)c1ccc(C2[NH+]3C(C(=O)OC(c4ccccc4)C3c3ccccc3)C(C(=O)NCC=C)C23C(=O)N(C(=O)NC(C(=O)OC)C(C)C)c2ccc(C#CCNC(N)=O)cc23)cc1
DelComponent,Please remove a hydroxyl from the molecule Cc1cc2c(CCC=O)c3oc(C)cc3c(O)c2o1.,Cc1cc2c(CCC=O)c3oc(C)cc3cc2o1
LogP,Modify the molecule O=C(NCC1CN(c2ccc(N3CCON(C(=O)C[NH2+]CCCF)CC3)c(F)c2)C(=O)O1)C(F)F to have a higher LogP value.,O=C(NCC1CN(c2ccc(N3CCON(C(=O)C[NH2+]CC(CF)c4ccccc4)CC3)c(F)c2)C(=O)O1)C(F)F
MR,Please optimize the molecule CCNC(NCC1CCN(CC(F)(F)F)C1)=[NH+]Cc1ccc(C)cc1OCCCOC to have a lower MR value.,CCNC(NCC1CCN(CC(F)(F)F)C1)=[NH+]CCOCCCOC
QED,Please modify the molecule CC(CO)N(C)C(=O)NC(C(=O)[O-])c1cccs1 to increase its QED value.,CC(CO)N(C)C(=O)NC(C(=O)[O-])c1cc(-c2ccccc2)cs1
AtomNum,"The molecule is composed of 11 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",O=c1ccc(-c2ccc(SC(F)F)cc2)n[nH]1
BondNum,"There is a molecule composed of 21 single bonds, 4 double bonds, 13 rotatable bonds, and 18 aromatic bonds.",COc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)C(C)C(=O)NC(C)C)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 ketone group.",CC[NH2+]C(CC(=O)[O-])C(=O)c1ccc(OCC)cc1
AddComponent,Modify the molecule CC(C)(C)OC(=O)N1CCc2[nH]nc(C3CCOC3)c2C1 by adding a thiol.,CC(C)(C)OC(=O)N1CCc2[nH]nc(C3COC(S)C3)c2C1
SubComponent,Substitute a nitrile in the molecule Cc1ccc(NCc2cc(C#N)ccc2F)c(C)c1 with a nitro.,Cc1ccc(NCc2cc(NO)ccc2F)c(C)c1
DelComponent,Remove a halo from the molecule CCCCCCCc1ccc2c(C=O)c(-c3cc(F)c(-c4ccc(Cl)cc4)c(F)c3)ccc2c1.,CCCCCCCc1ccc2c(C=O)c(-c3ccc(-c4ccc(Cl)cc4)c(F)c3)ccc2c1
LogP,Modify the molecule CSc1ccc(CCN(C)C(=O)CC#N)cc1 to have a lower LogP value.,CSc1ccc(CCN(C)C(=O)CC(=O)[OH])cc1
MR,Optimize the molecule COc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1Br to have a lower MR value.,COc1ccc(C=Nc23ccccc2ccc-3)cc1Br
QED,Modify the molecule OC1CC[NH+](CCCc2nc(-c3ccccc3)no2)C1 to increase its QED value.,CC(=O)C1CC[NH+](CCCc2nc(-c3ccccc3)no2)C1
AtomNum,"There is a molecule with 8 carbon atoms, and 5 oxygen atoms.",COC(=O)c1cc(CO)oc1C=O
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",O=C1Nc2cc(Sc3ncccc3Cl)c(Cl)cc2C1O
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 1 amide group, and 3 halo groups.",Cc1ccc(NC(=O)c2cn(Cc3ccc(F)cc3)nc2OCc2ccc(F)cc2)cc1F
AddComponent,Modify the molecule CN1CC[NH+](CC2(O)CCCSC2)CC1 by adding a hydroxyl.,CN1CC[NH+](CC2(O)CCCSC2)CC1O
SubComponent,Please substitute a hydroxyl in the molecule C#CC=CC1CCCC(O)C1 with a nitrile.,C#CC=CC1CCCC(C#N)C1
DelComponent,Remove a CCC(O)CCNc1nc2ccc(Br)cn2n1 from the molecule amine.,CCC(O)CCc1nc2ccc(Br)cn2n1
LogP,Optimize the molecule OC(COCc1ccccc1)CN1CC[NH+](CC(O)COCc2ccccc2)CC1 to have a lower LogP value.,COCC(O)C[NH+]1CCN(CC(O)COCc2ccccc2)CC1
MR,Optimize the molecule Cc1n[nH]c(C)c1C[NH+]1CCc2[nH]c(-c3ccncc3)nc(=O)c2C1 to have a higher MR value.,Cc1n[nH]c(C)c1C[NH+]1Cc2c([nH]c(-c3ccncc3)nc2=O)C(O)C1
QED,Modify the molecule Cc1c(C#N)c(SCCc2ccc(F)cc2)nc(N2CC(C)[NH2+]C(C)C2)c1COC(C)C to have a higher QED value.,Cc1cc(SCCc2ccc(F)cc2)nc(N2CC(C)[NH2+]C(C)C2)c1COC(C)C
AtomNum,"The molecule consists of 21 carbon atoms, 4 oxygen atoms, 6 nitrogen atoms, and 1 fluorine atom.",COC(=O)NCC1CN(c2ccc(-c3ccc(N4C=N[NH+](C)CC4)nc3)c(F)c2)C(=O)O1
BondNum,"There is a molecule with 23 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",O=C(Nc1ccc(N2CCOCC2)nc1)N1CCCC1C[NH+]1CCCCC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, and 2 amide groups.",COc1ccccc1C(O)CN1C(=O)CC(C)(C)C1=O
AddComponent,Modify the molecule O=C(Nc1ccc(Cl)cc1)N1CCC(Oc2ncccc2C(=O)N2CCOCC2)C1 by adding a benzene ring.,O=C(Nc1ccc(Cl)c(-c2ccccc2)c1)N1CCC(Oc2ncccc2C(=O)N2CCOCC2)C1
SubComponent,Substitute a halo in the molecule Nc1nnn(Cc2nonc2C(NO)=[NH+]c2ccc(F)c(Cl)c2)n1 with a nitro.,Nc1nnn(Cc2nonc2C(NO)=[NH+]c2ccc(NO)c(Cl)c2)n1
DelComponent,Please remove a amide from the molecule COCC1CCN(C(=O)NC(CC(N)=O)C(=O)[O-])CC1.,COCC1CCN(C(=O)NCC(=O)[O-])CC1
LogP,Please optimize the molecule CCCCC[NH+](C)Cc1cccc(C(N)=[NH+]O)c1 to have a lower LogP value.,CCCCC[NH+](C)Cc1cc(C(N)=[NH+]O)ccc1C(=O)O
MR,Modify the molecule CCN(C(=O)C(C)Sc1nnc(-c2ccc(C)cc2)n1N)C1CCCCC1 to increase its MR value.,CCN(C(=O)C(C)Sc1nnc(-c2ccc(C)cc2)n1N)C1CCCC(C(=O)O)C1
QED,Modify the molecule CCC[NH2+]Cc1cc(C(C)(C)C)nc2c(C)c(Cl)ccc12 to decrease its QED value.,CCC[NH2+]Cc1cc(C(C)(C)C)nc2c(C)cccc12
AtomNum,"Please generate a molecule composed of 15 carbon atoms, and 5 nitrogen atoms.",CC(C)[NH2+]Cc1cccnc1N(C)Cc1cnn(C)c1
BondNum,"There is a molecule composed of 15 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",O=C(OCc1ccccc1)N(CC1[NH2+]CCc2cc(O)c(O)cc21)c1ccc(Cl)cc1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,CCOC(=Cn1nnc2ccccc21)c1ccccc1
AddComponent,Please add a carboxyl to the molecule CCCCCCCCCCCCCCCCS(=O)(=O)NC(=O)c1cnc(C(=O)[O-])c(OC)c1.,CCCCCCC(CCCCCCCCCS(=O)(=O)NC(=O)c1cnc(C(=O)[O-])c(OC)c1)C(=O)O
SubComponent,Please substitute a nitro in the molecule Cc1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 with a thiol.,Cc1nc(CC(=O)N2CCN(c3ccc([SH]=O)cc3)CC2)cs1
DelComponent,Modify the molecule benzene ring by removing a Nc1cccc(S(=O)CC(=O)Nc2ccc(Cl)cc2)c1.,NS(=O)CC(=O)Nc1ccc(Cl)cc1
LogP,Please modify the molecule COCC(NC(=O)N(C)Cc1ccccc1)C(=O)[O-] to decrease its LogP value.,COCC(NC(=O)N(C)C)C(=O)[O-]
MR,Optimize the molecule CC(C)(CCC#N)CNc1ccccc1-n1cnnn1 to have a higher MR value.,CC(C)(CCI)CNc1ccccc1-n1cnnn1
QED,Modify the molecule NN(CCc1ccccc1)C1=C(C(I)C(=O)N2CCOCC2)CS(=O)(=O)c2ccccc21 to have a higher QED value.,CCN(N)C1=C(C(I)C(=O)N2CCOCC2)CS(=O)(=O)c2ccccc21
AtomNum,"There is a molecule with 17 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 2 chlorine atoms.",CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)C1=O
BondNum,"Please generate a molecule composed of 15 single bonds, 6 double bonds, and 14 rotatable bonds.",C=CCN(CC=C)P(=S)(C[NH2+]CC(=O)[O-])N(CC=C)CC=C
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, 1 amide group, 2 amine groups, and 1 sulfide group.",CC(C)CNc1nc(N)c(C(=O)NCCCOCCO)s1
AddComponent,Please add a hydroxyl to the molecule O=C(NCc1ccc(C[NH+]2CCc3ccccc3C2)cc1)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1.,O=C(NCc1ccc(C[NH+]2CCc3ccccc3C2)cc1O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1
SubComponent,Substitute a C[NH2+]CCNS(=O)(=O)c1cc(OC)ccc1Br in the molecule halo with a hydroxyl.,C[NH2+]CCNS(=O)(=O)c1cc(OC)ccc1O
DelComponent,Remove a CC(O)C(NC(=O)c1ccc(-c2ccc(C[NH2+]CCCO)cc2)cc1)C(=O)NO from the molecule benzene ring.,CC(O)C(NC(=O)c1ccc(C[NH2+]CCCO)cc1)C(=O)NO
LogP,Modify the molecule COc1ccc(N(C=O)c2ccccc2-n2cnc3ccccc32)cc1 to increase its LogP value.,COc1ccc(N(C=O)c2ccccc2-n2c(-c3ccccc3)nc3ccccc32)cc1
MR,Optimize the molecule [NH3+]C(CC(O)C(F)(F)C(=O)[O-])C1CCCCC1 to have a higher MR value.,[NH3+]C(CC(Br)C(F)(F)C(=O)[O-])C1CCCCC1
QED,Modify the molecule COCC[NH+]1CCc2c(CCC(=O)N(Cc3ccccc3C(F)(F)F)CC3(C)COC3)cccc2C1 to have a lower QED value.,COCC[NH+]1CCc2c(CCC(=O)N(Cc3ccccc3C(F)F)CC3(C)COC3)cccc2C1
AtomNum,"There is a molecule consisting of 45 carbon atoms, 4 nitrogen atoms, and 1 silicon atom.",CC(C)c1cc(C(C)C)nc(-c2cc(-c3nc(C(C)C)cc(C(C)C)n3)c3ccc4cc([Si](C(C)C)(C(C)C)C(C)C)cc5ccc2c3c54)n1
BondNum,"The molecule has 10 single bonds, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",CCc1cccc(C#N)c1N1CC[NH2+]CC1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 1 amide group, and 1 sulfone group.",CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccccc2C)c1
AddComponent,Add a carboxyl to the molecule COCCOC1C[NH+](C2CCN(C(=O)Nc3ccccc3)CC2)C12CCCCC2.,COCCOC1C[NH+](C2CCN(C(=O)Nc3ccccc3)C(C(=O)O)C2)C12CCCCC2
SubComponent,Please substitute a COc1csc(C(O)c2ccc(F)cc2)c1 in the molecule halo with a nitrile.,COc1csc(C(O)c2ccc(C#N)cc2)c1
DelComponent,Please remove a CCCNC(C)(C#N)COC(C)CC from the molecule amine.,CCCC(C)(C#N)COC(C)CC
LogP,Please optimize the molecule COc1cccc(OCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1 to have a lower LogP value.,COc1cccc(OCC(O)Cn2c3ccc(Br)cc3c3cc(C#N)ccc32)c1
MR,Modify the molecule CC1CC(C)CC(NC(=O)CCBr)C1 to have a lower MR value.,CCC(=O)NC1CC(C)CC(C)C1
QED,Please optimize the molecule O=C1NC(=O)N(C2CCCC2)C(=O)C1=Cc1ccc([O-])c([N+](=O)[O-])c1 to have a lower QED value.,O=C1NC(=O)N(C2CCCC2)C(=O)C1=Cc1c-c([O-])(O[O-])cc1
AtomNum,"The molecule is composed of 19 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",Cn1ncc2c1CCCN(C(=O)NCc1cc(Cl)c3c(c1)OCCCO3)C2
BondNum,"There is a molecule with 16 single bonds, 1 double bond, 6 rotatable bonds, and 16 aromatic bonds.",Cc1noc(C)c1CCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",CCN(C(=O)c1nn(C)cc1N)c1ccc(F)cc1
AddComponent,Please add a hydroxyl to the molecule Cc1cc2occ(CC(=O)Nc3ncccc3O)c2cc1C.,Cc1cc2c(CC(=O)Nc3ncccc3O)coc2c(O)c1C
SubComponent,Substitute a halo in the molecule COc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(F)cc1 with a hydroxyl.,COc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(O)c(Br)c1OCC(=O)Nc1ccc(F)cc1
DelComponent,Modify the molecule halo by removing a ClCCc1nnc(NCc2ccc(Br)s2)o1.,ClCCc1nnc(NCc2cccs2)o1
LogP,Optimize the molecule COc1ccccc1C1NN(C(C)(C)C)C=C1C[NH+]1CCC2(CC1)CN(c1ccc(C(=O)[O-])cc1)C(O)O2 to have a higher LogP value.,COc1ccccc1C1NN(C(C)(C)C)C=C1C[NH+]1CCC2(CC1)CN(c1ccc(C(=O)[O-])cc1)C(F)O2
MR,Please modify the molecule CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCOC)cc1OC to increase its MR value.,CCOc1c(O)cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCOC)cc1OC
QED,Please optimize the molecule COc1ccc(SCCC(=O)NC(CC(F)(F)F)C(=O)[O-])cc1 to have a lower QED value.,COSCCC(=O)NC(CC(F)(F)F)C(=O)[O-]
AtomNum,"There is a molecule with 11 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",Cc1nn(-c2ccc(C(N)=[NH+]O)cc2Br)cc1Cl
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 4 rotatable bonds, and 23 aromatic bonds.",Cc1ccc(-c2n[nH]c3c2C(c2ccccc2[N+](=O)[O-])N(c2ccc(F)cc2)C3=O)cc1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 ester group, 1 amide group, 1 halo group, 1 thioether group, and 2 sulfide groups.",O=C(COC(=O)CSc1cccc2cccc(Cl)c12)Nc1ccccc1Sc1ccccc1
AddComponent,Modify the molecule CC(CC(C[NH3+])C(=O)[O-])c1ccc(F)cc1F by adding a amine.,CC(c1ccc(F)cc1F)C(N)C(C[NH3+])C(=O)[O-]
SubComponent,Please substitute a hydroxyl in the molecule O=C1OC2CC3(C(=O)NCCO)C(ON(Cc4ccccc4C=CCc4ccccc4O)C13)C1OC(c3ccccc3)(c3ccccc3)OC21 with a nitro.,ONCCNC(=O)C12CC3OC(=O)C1N(Cc1ccccc1C=CCc1ccccc1O)OC2C1OC(c2ccccc2)(c2ccccc2)OC31
DelComponent,Please remove a amine from the molecule COc1cccnc1NC(=S)NCCSCc1ccc(Cl)cc1.,COc1cccnc1NC(=S)CCSCc1ccc(Cl)cc1
LogP,Please optimize the molecule CCOC(=O)N1N=C(c2ccccc2)CC1(O)C(C)(F)F to have a lower LogP value.,CCOC(=O)N1N=C(c2ccccc2)CC1(O)C(C)(F)C#N
MR,Please modify the molecule COC(=O)C1C(CC#N)C(=O)CN1c1ccccc1 to increase its MR value.,COC(=O)C1C(CS)C(=O)CN1c1ccccc1
QED,Modify the molecule C#CCCOP(=O)([O-])OP(=O)([O-])OCC1OC(n2ccc(=O)[nH]c2=S)C(O)C1O to have a lower QED value.,C#CCCOP(=O)([O-])OP(=O)([O-])OC(c1ccccc1)C1OC(n2ccc(=O)[nH]c2=S)C(O)C1O
AtomNum,"There is a molecule composed of 143 carbon atoms, 39 oxygen atoms, 40 nitrogen atoms, and 1 sulfur atom.",CCC(C)C(NC(=O)CNC(=O)C(CC(=O)[O-])NC(=O)C(CO)NC(=O)C([NH3+])Cc1cnc[nH]1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(=O)NC(CC(=O)[O-])C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CCCC[NH3+])C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)C)C(C)O
BondNum,"The molecule contains 8 single bonds, 4 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(c1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)Cl
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, and 3 halo groups.",COc1c(Cl)cc(C=NNC(=O)Cc2ccc(F)cc2)cc1Cl
AddComponent,Add a hydroxyl to the molecule CC(NS(=O)(=O)c1ccccc1C(N)=S)c1ccncc1.,CC(NS(=O)(=O)c1cccc(O)c1C(N)=S)c1ccncc1
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc(-c2cnnn2-c2cc(O)c(OC)cc2OC)cc1O with a aldehyde.,CC(=O)c1cc(-n2nncc2-c2ccc(OC)c(O)c2)c(OC)cc1OC
DelComponent,Please remove a hydroxyl from the molecule CCCSC(C)CC(C)(CO)[NH2+]C1CC1.,CCCSC(C)CC(C)(C)[NH2+]C1CC1
LogP,Modify the molecule CCCS(=O)(=O)Nc1cccc(Br)c1 to have a lower LogP value.,CCCS(=O)(=O)Nc1cccc(O)c1
MR,Modify the molecule Cc1cccc(C([NH3+])c2ccc(Cl)c(Cl)c2)c1Br to increase its MR value.,Cc1cccc(C([NH3+])c2ccc(S)c(Cl)c2)c1Br
QED,Please modify the molecule O=C1Nc2ccccc2C(O)(C(=O)NCCC[NH+]2CCC([NH+]3CCCCC3)CC2)N1c1ccc(Cl)c(Cl)c1 to decrease its QED value.,ONc1ccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NCCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1Cl
AtomNum,"The molecule contains 12 carbon atoms, 1 nitrogen atom, and 1 bromine atom.",Cc1cc(C2CCC[NH2+]2)cc(C)c1Br
BondNum,"The molecule contains 9 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1OC
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ketone group, 1 thioether group, and 1 sulfide group.",CCOc1cc(-c2nnc(SCC(=O)c3cccc(OC)c3)o2)cc(OCC)c1OCC
AddComponent,Add a benzene ring to the molecule Cc1ccc(S(=O)(=O)n2c(C3CC3c3cccc4ccccc34)c(C)c3ccccc32)cc1.,Cc1ccc(S(=O)(=O)n2c(C3CC3c3cccc4ccccc34)c(C)c3c(-c4ccccc4)cccc32)cc1
SubComponent,Modify the molecule halo by substituting a Cc1ccnc(N)c1C(O)c1cccc(Cl)c1 with a nitrile.,Cc1ccnc(N)c1C(O)c1cccc(C#N)c1
DelComponent,Remove a amide from the molecule Cc1ccc(NC(=O)N2CCN(C(=O)C3(C)CCCOC3)CC2)cc1.,Cc1ccc(NC(=O)N2CCCC3CCOC3CC2)cc1
LogP,Please optimize the molecule CC(CNC(=O)c1sc2cccc(Br)c2c1N)C(C)(C)C to have a higher LogP value.,CC(Cc1(N)c2c(Br)cccc2s-1)C(C)(C)C
MR,Please modify the molecule COC(=O)NC(C(=O)N1C(CCC(C)C)CCC1c1[nH]c(-c2ccc3c(c2)COc2cc4c(ccc5[nH]c(C(C)N(C(=O)C(NC(=O)OC)C6CCOCC6)C6CCCC6C)nc54)cc2-3)c[nH+]1)C(C)C to decrease its MR value.,COC(=O)NC(C(=O)N(C(C)c1nc2c(ccc3cc4c(cc32)OCc2cc(-c3c[nH+]c(C5CCC(CCC(C)C)C(C)(C)N5C(=O)OC)[nH]3)ccc2-4)[nH]1)C1CCCC1C)C1CCOCC1
QED,Modify the molecule Cc1cc(C)c(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c(C)c1 to have a lower QED value.,Cc1cc(C)c(NC(=O)C2CC(=O)Nc3cc(S)ccc32)c(C)c1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",COc1ccc(NC(=O)N2CCOCC2)cc1Cl
BondNum,"Please generate a molecule consisting 20 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",C[NH+]1CCC(NC(=O)Cc2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)CC1
FunctionalGroup,The molecule has and 1 amine group.,Cn1c(Cc2ccc3c(c2)NCCC3)nc2ccccc21
AddComponent,Add a hydroxyl to the molecule C[NH2+]CCOC1CCC2BC1CCC2.,C[NH2+]CCOC1CCC2BC1C(O)CC2
SubComponent,Substitute a hydroxyl in the molecule CN(CC(O)C1CC1)C(=O)c1cccc(OCc2cccnc2)c1 with a halo.,CN(CC(Cl)C1CC1)C(=O)c1cccc(OCc2cccnc2)c1
DelComponent,Modify the molecule halo by removing a CCCCCCCOc1ccc(-c2ccc(O)cc2CCC[Si]I)cc1.,CCCCCCCOc1ccc(-c2ccc(O)cc2CCC[Si])cc1
LogP,Please modify the molecule Cc1nc(-c2ccc(F)c(Br)c2)nc(N)c1C(N)=O to increase its LogP value.,Cc1nc(-c2ccc(S)c(Br)c2)nc(N)c1C(N)=O
MR,Modify the molecule Cc1cnc(N2CCOC(C[NH3+])C2)c(Br)c1 to have a higher MR value.,CC(=O)c1cc(C)cnc1N1CCOC(C[NH3+])C1
QED,Optimize the molecule CC1CCC(C(C)(O)C2CCOC2)CC1C to have a lower QED value.,CC1CCC(C(C)C2CCOC2)CC1C
AtomNum,"The molecule consists of 12 carbon atoms, 6 oxygen atoms, and 2 nitrogen atoms.",COC(OC)c1c2ccnc-2[nH]c(C(=O)[O-])c1C(=O)[O-]
BondNum,"The molecule has 30 single bonds, 4 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C(=O)N2CCC(C)CC2)cc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",CNC(=O)c1ccc(NCc2ccc(C)c(Br)c2)cc1
AddComponent,Please add a benzene ring to the molecule C=CC(=O)Nc1cccc(-n2cnc3c(N(Cc4ccccc4)Cc4ccccc4)nc(Nc4ccc(N5CC[NH+](C)CC5)cc4)nc32)c1.,C=CC(=O)Nc1cccc(-n2cnc3c(N(Cc4ccccc4)Cc4cccc(-c5ccccc5)c4)nc(Nc4ccc(N5CC[NH+](C)CC5)cc4)nc32)c1
SubComponent,Please substitute a hydroxyl in the molecule O=C([O-])C(O)C1OCCN(c2ccc(S(=O)(=O)C3COCCN3)cc2)C1=O with a thiol.,O=C([O-])C(S)C1OCCN(c2ccc(S(=O)(=O)C3COCCN3)cc2)C1=O
DelComponent,Remove a amide from the molecule COc1cc(C2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)ccc1OCC(N)=O.,COc1cc(C2c3cnn(-c4nc5ccccc5s4)c32)ccc1OCC(N)=O
LogP,Optimize the molecule CC(C)Cc1[nH]n(-c2ccc(C#N)cc2)c2nnc(N)c1-2 to have a lower LogP value.,CC(C)Cc1[nH]n(-c2ccc(O)cc2)c2nnc(N)c1-2
MR,Please modify the molecule CC1=C(C(=O)Nc2cccc(C)n2)C(c2ccsc2)C2=C(CC(c3cccs3)CC2=O)N1 to increase its MR value.,CC1=C(C(=O)Nc2ccc(O)c(C)n2)C(c2ccsc2)C2=C(CC(c3cccs3)CC2=O)N1
QED,Modify the molecule O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1F to have a lower QED value.,O=C(C=Cc1ccc(-c2cc(O)cc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1F
AtomNum,"The molecule is composed of 10 carbon atoms, 3 oxygen atoms, and 1 silicon atom.",CC(C)C(C)(C)[Si](C)(C)C(O)C(=O)[O-]
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",O=C([O-])C1CCCCN1C(=O)Nc1c(Cl)cc(Cl)cc1Cl
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 hydroxyl group, and 2 amine groups.",CCNC(=[NH+]Cc1ccc(OCc2ccccc2)c(OC)c1)N1CCC(O)C1
AddComponent,Modify the molecule CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(C[NH3+])cc2)cc1)C(=O)OC(C)(C)C by adding a benzene ring.,CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(C[NH3+])cc2)cc1)C(=O)OC(C)(C)Cc1ccccc1
SubComponent,Modify the molecule CC1(C)c2cc(B(O)O)c3ccccc3c2-c2c1cc(B(O)O)c1ccccc21 by substituting a hydroxyl with a thiol.,CC1(C)c2cc(B(O)O)c3ccccc3c2-c2c1cc(B(O)S)c1ccccc21
DelComponent,Please remove a CC(C)CN(CC(C)C)c1c(F)cccc1CO from the molecule hydroxyl.,Cc1cccc(F)c1N(CC(C)C)CC(C)C
LogP,Optimize the molecule CC(c1cc2ccccc2[nH]1)N(C)C(=O)Cn1ccnc1-c1ccccc1 to have a lower LogP value.,CC(c1cc2ccc(O)cc2[nH]1)N(C)C(=O)Cn1ccnc1-c1ccccc1
MR,Modify the molecule CCCCCN(C)c1ccc(F)cc1C(C)[NH2+]C to have a higher MR value.,CCCCCN(C)c1ccccc1C(C)[NH2+]C
QED,Please optimize the molecule N#Cc1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1 to have a lower QED value.,O=S(=O)(c1ccc(S)cc1)N1CCCC(CCO)C1
AtomNum,"The molecule has 18 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cn1c(=O)c2[nH]c(N3CCCC(c4ccccc4)C3)nc2n(C)c1=O
BondNum,"The molecule contains 11 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",CCNc1nc(N2CCCSCC2)c2cn[nH]c2n1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 hydroxyl group, 1 amide group, 1 amine group, and 1 sulfide group.",CCCCCCCCCCCCNC(=O)NNc1nc(-c2cccc(NC(=O)c3ccc(O)cc3)c2)ns1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(C(C)=O)cc1CN1C(=O)CN(C)C1=O.,COc1ccc(C(C)=O)c(O)c1CN1C(=O)CN(C)C1=O
SubComponent,Substitute a C=CCC(C)NS(=O)(=O)c1ccc(Br)s1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(S(=O)(=O)NC(C)CC=C)s1
DelComponent,Remove a CCCCCCCCCCCC(=O)N(CC[NH2+]CC(=O)[O-])C(C)O from the molecule amide.,CCCCCCCCCCC(C)(O)CC[NH2+]CC(=O)[O-]
LogP,Optimize the molecule CCC(O)(CC)c1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)c(C)c1 to have a higher LogP value.,CCC(CC)c1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)c(C)c1
MR,Optimize the molecule O=C(c1noc2c1CCCC2)N1CCn2c(cc3cc(Cl)ccc32)C1 to have a lower MR value.,N#Cc1ccc2c(c1)cc1n2CCN(C(=O)c2noc3c2CCCC3)C1
QED,Please optimize the molecule CCCSc1ccc(NC2=[NH+]CCN2)c(C)c1 to have a lower QED value.,Cc1cc(SCCCC(=O)O)ccc1NC1=[NH+]CCN1
AtomNum,"Please generate a molecule with 15 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1cccc(C2CC[NH+](C3COC3)CC2)c1
BondNum,"The molecule consists of 22 single bonds, 1 double bond, and 16 rotatable bonds.",CCCCCCCCCCCCOCCCOP(=O)([O-])C(C)(C)C
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, and 1 amide group.",CCN(CC[NH+](C)C1CCC1)C(=O)C[NH+]1CCc2cc(O)ccc2C1
AddComponent,Modify the molecule O=C([O-])C1COCC1Nc1ncnc2c1CCCCC2 by adding a benzene ring.,O=C([O-])C1COCC1Nc1ncnc2c1CC(c1ccccc1)CCC2
SubComponent,Substitute a hydroxyl in the molecule CC1(O)CC[NH+](CC(=O)Nc2ccc(N)cc2)CC1 with a nitrile.,CC1(C#N)CC[NH+](CC(=O)Nc2ccc(N)cc2)CC1
DelComponent,Please remove a amine from the molecule [NH3+]C1CC2CCC(C1)N2C(=O)C(NS(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)C(F)(F)c1ccc(I)cc1.,[NH3+]C1CC2CCC(C1)N2C(=O)C(C(F)(F)c1ccc(I)cc1)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1
LogP,Optimize the molecule COc1cc(C#N)c2ccsc2c1[S-] to have a lower LogP value.,COc1cc(C(=O)[OH])c2ccsc2c1[S-]
MR,Please optimize the molecule CCCP(C)CCP(C)CCC to have a higher MR value.,CCCP(C)CCP(C)CCCC(=O)O
QED,Please modify the molecule O=C(N1CCCn2nnnc21)C12CC3CC(CC(C3)C1)C2 to increase its QED value.,O=C(N1CCCn2nnnc21)C12CC3CC(CC(C3)C1O)C2
AtomNum,"The molecule has 22 carbon atoms, 1 oxygen atom, 7 nitrogen atoms, and 1 fluorine atom.",Cc1nc(N2CC3CN(C(=O)c4cccc(F)c4-n4nccn4)CC3C2)nc(C)c1C
BondNum,"There is a molecule consisting of 9 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",Fc1ccc(CC2CCCC2Cl)cc1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 1 halo group, and 1 sulfide group.",CC1C[NH+](Cc2ccc(C(=O)Nc3cc(F)ccc3Sc3nccn3C)cc2)CC(C)O1
AddComponent,Add a benzene ring to the molecule CCOc1cccc2[nH]cc(C(=O)CBr)c12.,CCOc1ccc(-c2ccccc2)c2[nH]cc(C(=O)CBr)c12
SubComponent,Please substitute a hydroxyl in the molecule CC1(C(O)Cc2cccc(O)c2)CC1 with a carboxyl.,CC1(C(Cc2cccc(O)c2)C(=O)[OH])CC1
DelComponent,Modify the molecule amide by removing a O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(C1CCCC1)C1CCS(=O)(=O)C1.,O=C1C(c2c[nH]c3ccccc23)N1CC(=O)N(C1CCCC1)C1CCS(=O)(=O)C1
LogP,Please optimize the molecule Cc1ccc(C(O)Cn2ccn(C)c(=O)c2=O)cc1C to have a lower LogP value.,Cc1ccc(C(O)Cn2ccn(C)c(=O)c2=O)c(O)c1C
MR,Please modify the molecule CC[NH2+]Cc1nnc(-c2csc(I)c2)s1 to decrease its MR value.,CC[NH2+]Cc1nnc(-c2csc(NO)c2)s1
QED,Modify the molecule Cc1nc(N)c(C)c(SCC(N)=O)n1 to increase its QED value.,Cc1ncc(C)c(SCC(N)=O)n1
AtomNum,"The molecule is composed of 26 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1cc(C)cc(CNC(=O)c2csc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)c1
BondNum,"The molecule has 12 single bonds, 1 double bond, 1 triple bond, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)[NH+](CCO)CCC(=O)Nc1ccc(C#N)cc1
FunctionalGroup,"Please generate a molecule composed of 1 amide group, 1 nitro group, 1 halo group, 2 thioether groups, and 1 sulfide group.",O=C(NC1CCCSC1)c1cc(Cl)ncc1[N+](=O)[O-]
AddComponent,Modify the molecule N#Cc1sc(NC2CC[NH+]3CCCC3C2)nc1Cl by adding a amine.,N#Cc1sc(NC2CC[NH+]3CCCC3C2N)nc1Cl
SubComponent,Please substitute a halo in the molecule [NH3+]C1CC2CCC(C1)N2c1nc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1 with a carboxyl.,[NH3+]C1CC2CCC(C1)N2c1nc2c(cc1C(=O)[OH])c(=O)c(C(=O)[O-])cn2C1CC1
DelComponent,Modify the molecule halo by removing a CCC1CCC(C(=O)Cc2ccccc2Br)CC1.,CCC1CCC(C(=O)Cc2ccccc2)CC1
LogP,Modify the molecule CC(NC(=O)CN(C)C(=O)c1cccs1)c1nn[n-]n1 to have a higher LogP value.,CC(NC(=O)CN(C)C(=O)c1cc(-c2ccccc2)cs1)c1nn[n-]n1
MR,Optimize the molecule CC1(C(=O)[O-])CCN(c2nccc(C#N)c2Cl)CC1 to have a lower MR value.,CC1(C(=O)[O-])CCN(c2nccc(C#N)c2O)CC1
QED,Optimize the molecule C[NH+](CCO)C1C=CCC2C[NH2+]CC21 to have a higher QED value.,CC[NH+](C)C1C=CCC2C[NH2+]CC21
AtomNum,"Please generate a molecule with 18 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CC1CN(C(=O)Cn2cc(NC(=O)C3CC4CCC3O4)cn2)CC(C)O1
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",COC1CCN(C(=O)c2ccc(C)cc2Br)C(C[NH3+])C1
FunctionalGroup,The molecule is composed of and 1 amide group.,Cc1cc(C[NH+]2CCC3(CCC(=O)N(C(C)C(=O)[O-])C3)CC2)on1
AddComponent,Modify the molecule CC(C1CCCCC1)N1C(=O)C[NH2+]C1C1CCCC1 by adding a hydroxyl.,CC(C1CCCCC1)N1C(=O)C(O)[NH2+]C1C1CCCC1
SubComponent,Modify the molecule COc1ccc(C(=O)Nc2cccnn2)cc1Br by substituting a halo with a hydroxyl.,COc1ccc(C(=O)Nc2cccnn2)cc1O
DelComponent,Please remove a halo from the molecule FC1=CCCC2=C1C1CCCCC1CC2.,C1=CC2=C(CC1)CCC1CCCCC21
LogP,Please modify the molecule CCCCCCCCC(=O)c1ccc(Br)c(C)c1 to decrease its LogP value.,CCCCCCCCC(=O)c1ccc(NO)c(C)c1
MR,Optimize the molecule CCCOc1ccc(C(O)COc2ccc(C)cc2)cc1 to have a higher MR value.,CCCOc1ccc(C(O)COc2ccc(Cc3ccccc3)cc2)cc1
QED,Modify the molecule CC(C)(C)N1C(=O)CNc2ccc(C(=O)[O-])cc21 to increase its QED value.,CC(C)(C)N1C(=O)CNc2c(-c3ccccc3)cc(C(=O)[O-])cc21
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 6 oxygen atoms, and 7 nitrogen atoms.",CC(C)CC([NH2+]CC(NC(=O)NC(CC(N)=O)C(=O)C(=O)C([NH3+])CO)C(C)C)C(=O)NC[NH3+]
BondNum,"The molecule is composed of 25 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",O=C(COc1ccc2c(c1)OCCO2)N(CC1(C2CCCCCC2)CCCS1)c1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 amine group, and 1 sulfone group.",CCNS(=O)(=O)c1cc(C)c2c(c1)CC(C[NH3+])O2
AddComponent,Add a hydroxyl to the molecule C[NH+](C)CCCNc1cc(C(N)=O)c(N)cc1F.,C[NH+](CO)CCCNc1cc(C(N)=O)c(N)cc1F
SubComponent,Substitute a hydroxyl in the molecule O=C(C=Cc1ccccc1)OCCOc1ccc(-c2ccc(OCCCCCCO)cc2)cc1 with a nitrile.,N#CCCCCCCOc1ccc(-c2ccc(OCCOC(=O)C=Cc3ccccc3)cc2)cc1
DelComponent,Remove a CCOC(=O)NN=C(c1ccc(Cl)cc1)c1ccc(CCO)cc1 from the molecule hydroxyl.,CCOC(=O)NN=C(c1ccc(Cl)cc1)c1ccc(CC)cc1
LogP,Modify the molecule CC(Nc1nc2c(Br)cccn2n1)c1cccc(Br)c1 to have a lower LogP value.,CC(Nc1nc2ccccn2n1)c1cccc(Br)c1
MR,Modify the molecule C#CC(C)N1C(=O)[NH+]=C(N)C12CCCOC2 to decrease its MR value.,C#CC(C)N1C(=O)[NH+]=CC12CCCOC2
QED,Optimize the molecule O=C1COc2cc3ncnc(Nc4ccccc4)c3cc2N1CCC[NH+]1CCOCC1 to have a higher QED value.,O=C1COc2cc3ncnc(-c4ccccc4)c3cc2N1CCC[NH+]1CCOCC1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, and 2 oxygen atoms.",COc1cc(C)cc(CC=O)c1
BondNum,"There is a molecule consisting of 45 single bonds, 6 double bonds, 15 rotatable bonds, and 6 aromatic bonds.",CCCCOC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)NCCC(=O)OC(C)C(=O)OC1=CCC2(O)C3Cc4ccc(OC)c5c4C2(CC[NH+]3C)C1O5
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 2 sulfide groups.",COc1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)s2)cc1
AddComponent,Modify the molecule O=C(NC1CCC[NH2+]C1)c1ccccc1Sc1ccccc1 by adding a hydroxyl.,O=C(NC1CCC[NH2+]C1)c1ccccc1Sc1ccc(O)cc1
SubComponent,Substitute a nitrile in the molecule CCC(C)(C#N)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O with a thiol.,CCC(C)(S)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O
DelComponent,Please remove a COc1cc(C=CC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc(OC)c1OC from the molecule amide.,COc1cc(CC2CCN(c3ccc(-n4nc(C)cc4C)nn3)C2)cc(OC)c1OC
LogP,Please modify the molecule Cc1cccnc1C[NH+]1CCCC1CCCBr to decrease its LogP value.,Cc1cccnc1C[NH+]1CCCC1CCCC#N
MR,Modify the molecule CC1(O)CC[NH+](CC(=O)Nc2cccc(I)c2)C1 to have a lower MR value.,CC1(O)CC[NH+](c2cccc(I)c2)C1
QED,Please modify the molecule CC(C(=O)[O-])N1CC(C)(C(C)C)Nc2cc(F)ccc21 to decrease its QED value.,CC(C(=O)[O-])N1CC(C)(C(C)C)c2cc(F)ccc21
AtomNum,"The molecule consists of 22 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)N1CCc2ccccc2C1
BondNum,"Please generate a molecule composed of 18 single bonds, 4 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(NC1CC1)c1cccc(C2=CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1
FunctionalGroup,Please generate a molecule consisting and 1 sulfone group.,CC(C)(C)S(=O)(=O)N1Cc2ccc(C(=O)[O-])cc2C1
AddComponent,Add a hydroxyl to the molecule CC1(c2cccnc2)CNc2ccccc21.,CC1(c2cccnc2O)CNc2ccccc21
SubComponent,Please substitute a halo in the molecule COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 with a hydroxyl.,COc1cc(NC(C)=O)c(O)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
DelComponent,Modify the molecule amide by removing a CCCN(CC)C(=O)CCC(C)CC[NH3+].,CCC(CC)CC(C)CC[NH3+]
LogP,Optimize the molecule CC(C)(C)OP1C(C(C)(C)C)C2(c3ccccc3)OC1(c1ccccc1)c1ccccc1C2=O to have a lower LogP value.,CC(C)(C)OP1C(C(C)(C)C)C2(c3cccc(O)c3)OC1(c1ccccc1)c1ccccc1C2=O
MR,Optimize the molecule OC(Cc1c(Cl)cccc1Cl)c1ccc2c(c1)CCC2 to have a lower MR value.,OC(Cc1ccccc1Cl)c1ccc2c(c1)CCC2
QED,Please modify the molecule COc1cc(OC)c(C(O)Nc2cc3ccccc3c(N=Nc3ccc(N)cc3)c2O)cc1Cl to increase its QED value.,COc1cc(OC)c(C(O)c2cc3ccccc3c(N=Nc3ccc(N)cc3)c2O)cc1Cl
AtomNum,"There is a molecule composed of 16 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCCc1ccc(NC2CCOC(C)(C)C2)cc1
BondNum,"The molecule is composed of 13 single bonds, 4 double bonds, 10 rotatable bonds, and 21 aromatic bonds.",COc1ccccc1CNC(=O)CCC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)[O-]
FunctionalGroup,"The molecule has 2 benzene ring groups, and 3 amide groups.",Cc1ccc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)NC4CCCC4)cc3C)CC2)c(C)c1
AddComponent,Add a hydroxyl to the molecule C=C(C)CN(C(C)=O)c1cc([N+](=O)[O-])ccc1Cl.,C=C(CO)CN(C(C)=O)c1cc([N+](=O)[O-])ccc1Cl
SubComponent,Please substitute a nitrile in the molecule N#Cc1ccc(Oc2cccnc2)cc1NCc1ccccc1 with a hydroxyl.,Oc1ccc(Oc2cccnc2)cc1NCc1ccccc1
DelComponent,Remove a CC(c1ccccc1)[NH+]1CCC([NH3+])CC1 from the molecule benzene ring.,CC[NH+]1CCC([NH3+])CC1
LogP,Please optimize the molecule Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)C(c3cccc(F)c3)C2)cc1 to have a lower LogP value.,Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)C(c3cccc(C(=O)[OH])c3)C2)cc1
MR,Modify the molecule CCN1CC(=O)NC(C)(c2cc(-c3cncc(OC)c3)c(F)cc2F)C1=O to increase its MR value.,CCN1CC(=O)NC(C)(c2cc(-c3cncc(OC)c3)c(O)cc2F)C1=O
QED,Optimize the molecule COC1CN(CC#N)CC1OC to have a lower QED value.,COC1CN(C)CC1OC
AtomNum,"Please generate a molecule composed of 39 carbon atoms, 18 oxygen atoms, and 14 nitrogen atoms.",CCC(C)C(NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)C(CO)NC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-]
BondNum,"There is a molecule composed of 12 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",FC(F)(F)c1cnc(NCc2nnc3n2CCC3)c(Cl)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 2 halo groups.",O=C(c1ccccc1)N1c2cc(Cl)c3c(Cl)cccc3c2CCC1O
AddComponent,Add a hydroxyl to the molecule COCOC1CCC2(C)C(C1)C(OCOC)C(OCOC)C1C3=CCC(C(C)CC(O)CC(C)C)C3(C)CCC12.,COCOC1CCC2(C)C(C1)C(OCOC)C(OCOC)C1C3=CCC(C(C)CC(O)CC(C)C)C3(C)CCC12O
SubComponent,Substitute a hydroxyl in the molecule CC(NC(=O)C(O)C(O)C(=O)N1CCCC1)c1ccc(-n2cccn2)cc1 with a halo.,CC(NC(=O)C(F)C(O)C(=O)N1CCCC1)c1ccc(-n2cccn2)cc1
DelComponent,Remove a COCCN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)C(C)(C)C from the molecule amide.,COCCN(C(=O)C(C)(C)C)C1Cc2sccc2C1c1ccc(F)cc1
LogP,Optimize the molecule COc1ccc(C2([NH3+])CCC2)cc1OCC1CC1 to have a lower LogP value.,COc1ccc(C2([NH3+])CCC2)cc1OCC1CC1O
MR,Modify the molecule CC(C)CNC(=O)C[NH2+]CCOCC(C)C to have a lower MR value.,CC(C)C[NH2+]CCOCC(C)C
QED,Modify the molecule Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4ccc(F)cc4C)cc3C)CC2)c1 to have a higher QED value.,Cc1ccccc1NC(=O)c1cccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4ccc(F)cc4C)cc3C)CC2)c1
AtomNum,"The molecule contains 13 carbon atoms, and 1 nitrogen atom.",CC(C)(C)c1cncc2c1CCCC2
BondNum,"The molecule consists of 23 single bonds, 3 double bonds, and 4 rotatable bonds.",O=C1CSC(=O)N1CCNC(=S)NC1CCCCCCCCCCC1
FunctionalGroup,"There is a molecule consisting of 4 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)CNC(=O)C3CC[NH+](CC(=O)Nc4ccc(C(=O)Nc5ccc(F)cc5)cc4C)CC3)c2)cc1F
AddComponent,Add a benzene ring to the molecule O=C([O-])c1c(F)ccc(-c2ccc(C=C3SC(=S)N(C4CCCC4)C3=O)o2)c1F.,O=C([O-])c1c(F)cc(-c2ccccc2)c(-c2ccc(C=C3SC(=S)N(C4CCCC4)C3=O)o2)c1F
SubComponent,Substitute a halo in the molecule O=C(NC1COC2C1OCC2n1nnnc1Oc1ccccc1)c1ccc(C(F)(F)F)cc1 with a nitro.,ONC(F)(F)c1ccc(C(=O)NC2COC3C2OCC3n2nnnc2Oc2ccccc2)cc1
DelComponent,Please remove a amine from the molecule Cc1c(Cl)cccc1CNc1nc(=NC2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3[O-])c2n1.,Cc1c(Cl)cccc1Cc1nc(=NC2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3[O-])c2n1
LogP,Please modify the molecule Cc1ccccc1SCc1noc(CC2C[NH2+]CCO2)n1 to decrease its LogP value.,CSCc1noc(CC2C[NH2+]CCO2)n1
MR,Modify the molecule Oc1cccc(-c2nc3c(Cl)cccn3n2)c1 to decrease its MR value.,Oc1cccc(-c2nc3ccccn3n2)c1
QED,Please optimize the molecule Cc1cc(Oc2ccc(C[NH2+]C3CC3)cc2)ccc1F to have a lower QED value.,Cc1cc(Oc2ccc(C[NH2+]C3CC3)c(-c3ccccc3)c2)ccc1F
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",C=C(C)CN(CC)C(=O)C=Cc1ccccc1OCC
BondNum,"The molecule consists of 14 single bonds, 1 double bond, 1 triple bond, 1 rotatable bond, and 6 aromatic bonds.",CC(C)(C)c1ccc(C2CC(=O)C2(C#N)C(C)(C)C)cc1
FunctionalGroup,"Please generate a molecule composed of 2 hydroxyl groups, and 3 halo groups.",CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCC=CCn1c(O)ccc1O
AddComponent,Modify the molecule Fc1cnccc1-c1ccc(Br)cn1 by adding a amine.,Nc1cc(-c2ccncc2F)ncc1Br
SubComponent,Modify the molecule CCOC(=O)Cc1nc2ccc(C#N)cc2[nH]1 by substituting a nitrile with a thiol.,CCOC(=O)Cc1nc2ccc(S)cc2[nH]1
DelComponent,Please remove a benzene ring from the molecule [NH3+]Cc1cccc(-c2ccc(Cl)nc2)c1.,[NH3+]Cc1ccc(Cl)nc1
LogP,Please optimize the molecule CCC(C)(C(=O)NCCc1ccc(Cl)cc1)C(N)=[NH+]O to have a lower LogP value.,CCC(C)(C(=O)NCCc1ccccc1)C(N)=[NH+]O
MR,Modify the molecule O=C(CC[n+]1ccccc1)OCc1ccccc1 to decrease its MR value.,COC(=O)CC[n+]1ccccc1
QED,Modify the molecule O=C(Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1)C(c1ccccc1)[N+](=O)[O-] to decrease its QED value.,O=C(Nc1n[nH]c(-c2ccc(F)cc2-c2ccccc2)c1-c1ccncc1)C(c1ccccc1)[N+](=O)[O-]
AtomNum,"There is a molecule composed of 17 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",NC(=O)CSc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1
BondNum,"The molecule has 10 single bonds, 2 double bonds, 5 rotatable bonds, and 23 aromatic bonds.",COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(Cl)c2)cc1OC
FunctionalGroup,The molecule consists of and 1 amide group.,CCC([NH3+])c1cc2c(c(C)c1C)NC(=O)CC2
AddComponent,Modify the molecule Cc1ccccc1-n1ncc2c(C3CC3)nn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c21 by adding a hydroxyl.,Cc1c(O)cccc1-n1ncc2c(C3CC3)nn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c21
SubComponent,Modify the molecule Cc1ccc(NC(=O)CN(C)c2ccccc2)cc1Br by substituting a halo with a hydroxyl.,Cc1ccc(NC(=O)CN(C)c2ccccc2)cc1O
DelComponent,Remove a nitrile from the molecule CCC(C)NC(=O)C(F)(C#N)c1ccc(C)cc1.,CCC(C)NC(=O)C(F)c1ccc(C)cc1
LogP,Please optimize the molecule O=S(=O)(c1ccccc1C(F)(F)F)N1CC=CCOc2ccccc2C1 to have a lower LogP value.,CC(=O)C(F)(F)c1ccccc1S(=O)(=O)N1CC=CCOc2ccccc2C1
MR,Modify the molecule CC(C)(CN1C(=O)NC(C2CCOCC2)C1=O)C1CCC1 to have a lower MR value.,CC(C)(C1CCC1)C(C(N)=O)C1CCOCC1
QED,Please optimize the molecule Nc1c(C(=O)NC2CCCc3ccc(F)cc32)[nH]c(=O)[nH]c1=O to have a lower QED value.,Nc1c(C(=O)NC2CCCc3ccccc32)[nH]c(=O)[nH]c1=O
AtomNum,"There is a molecule with 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 bromine atom.",O=C(CCC[NH2+]C1CCc2cc(Br)ccc21)NC1CC1
BondNum,"There is a molecule consisting of 7 single bonds, 2 triple bonds, 5 rotatable bonds, and 57 aromatic bonds.",N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc1C#N
FunctionalGroup,Please generate a molecule with and 1 ketone group.,COc1ccc2c(c1)CCC1(CC[NH+](CC3CC3)CC1)C2=O
AddComponent,Modify the molecule CN(C)c1ccc(P(c2ccc(F)cc2)c2ccc(N(C)C)cc2)cc1 by adding a benzene ring.,CN(C)c1ccc(P(c2ccc(F)cc2)c2ccc(N(C)C)c(-c3ccccc3)c2)cc1
SubComponent,Substitute a hydroxyl in the molecule CC(C)c1noc(C2(O)CCN(S(=O)(=O)Cc3ccccc3)C2)n1 with a aldehyde.,CC(=O)C1(c2nc(C(C)C)no2)CCN(S(=O)(=O)Cc2ccccc2)C1
DelComponent,Modify the molecule CS(=O)(=O)NCCCNC(=O)C1COCC[NH2+]1 by removing a amide.,CS(=O)(=O)NCCCC1[NH2+]CCO1
LogP,Modify the molecule Cn1cnc(C=C2CCc3ccc(Br)cc32)c1 to have a lower LogP value.,Cn1cnc(C=C2CCc3ccccc32)c1
MR,Optimize the molecule CC(C)C(c1ccccc1F)[NH+](C)C to have a higher MR value.,CC(C)C(c1ccccc1F)[NH+](C)CO
QED,Modify the molecule CC(OC(=O)Nc1c(-c2cc3sc(-c4ccc5nc(C6(C(=O)[O-])CC6)[nH]c5c4)cc3s2)cnn1C)c1ccccc1 to increase its QED value.,CCOC(=O)Nc1c(-c2cc3sc(-c4ccc5nc(C6(C(=O)[O-])CC6)[nH]c5c4)cc3s2)cnn1C
AtomNum,"The molecule has 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",CNc1cc(C(=O)NC(C)(C)C2CC2)c([N+](=O)[O-])cc1F
BondNum,"The molecule is composed of 17 single bonds, 2 double bonds, and 7 rotatable bonds.",CC[NH+](CCC(=O)NC(C)C)C1COCC1C(=O)[O-]
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 halo group, and 1 nitrile group.",COc1cc(C=C(C#N)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1
AddComponent,Add a aldehyde to the molecule COc1cc(CN(C)C(=O)CC(=O)[O-])ccc1O.,COc1c(O)ccc(CN(C)C(=O)CC(=O)[O-])c1CC=O
SubComponent,Substitute a halo in the molecule Cc1nc2cc(NC(=O)C3(c4cccc(Cl)c4)CC3)ccc2o1 with a thiol.,Cc1nc2cc(NC(=O)C3(c4cccc(S)c4)CC3)ccc2o1
DelComponent,Remove a halo from the molecule COCOc1ccc(C2(C)CSc3cc(OCOC)ccc3C2c2ccc(OCCCl)cc2)cc1.,CCOc1ccc(C2c3ccc(OCOC)cc3SCC2(C)c2ccc(OCOC)cc2)cc1
LogP,Please modify the molecule CCOc1ccc2[nH]cc(C([NH3+])CO)c2c1 to increase its LogP value.,CCOc1ccc2[nH]cc(C(C)[NH3+])c2c1
MR,Modify the molecule CC[NH2+]C(Cc1cncc(Br)c1)c1ccc(Cl)s1 to have a lower MR value.,CC[NH2+]C(Cc1cncc(Br)c1)c1cccs1
QED,Please optimize the molecule CCCC1CCCC(=CCC2C(C)=CC(NC(=O)C3CCC(C)C(C4C(C)C4C)C3)CC2C(F)(F)F)CC1 to have a lower QED value.,CCCC1CCCC(=CCC2C(C)=CC(NC(=O)C3CCC(C)C(C4C(C)C4C)C3)CC2C(F)F)CC1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, and 1 nitrogen atom.",[NH3+]CC1(C2C3CC4CC(C3)CC2C4)CC=CC1
BondNum,"Please generate a molecule composed of 15 single bonds, 10 rotatable bonds, and 6 aromatic bonds.",CCCCCCC(NN)c1cc(OC)c(OC)cc1OC
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 ester group, 1 halo group, and 1 sulfone group.",Cc1cc(-c2cccc(N(C)S(C)(=O)=O)c2)c(Cl)cc1C1=C([O-])C2(CCCCC2)OC1=O
AddComponent,Modify the molecule Cc1c(Cl)nc(C(C)C)nc1N(C)C by adding a amine.,Cc1c(Cl)nc(C(C)(C)N)nc1N(C)C
SubComponent,Substitute a nitrile in the molecule CCC([NH3+])c1ccccc1OCCCCC#N with a thiol.,CCC([NH3+])c1ccccc1OCCCCS
DelComponent,Modify the molecule amide by removing a [NH3+]CCCCCCC(=O)Nc1ccc2nccnc2c1.,[NH3+]CCCCCc1ccc2nccnc2c1
LogP,Optimize the molecule Cc1noc(C)c1S(=O)(=O)N1CCc2c(c(-c3nnc(-c4ccccc4F)o3)nn2C)C1 to have a lower LogP value.,Cc1noc(C)c1S(=O)(=O)N1CCc2c(c(-c3nnc(-c4ccccc4)o3)nn2C)C1
MR,Please optimize the molecule CC(=O)c1cc(F)c(C)cc1N(CC(C)C)C(C)C to have a higher MR value.,CC(=O)c1cc(C#N)c(C)cc1N(CC(C)C)C(C)C
QED,Modify the molecule CCCCCCCC(O)C(C)(C)OCC to increase its QED value.,CCOC(C)(C)C(O)CCCCCC(C)O
AtomNum,"The molecule is composed of 24 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CC(C)C(NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccc2c(c1)OCCCO2
BondNum,"There is a molecule consisting of 12 single bonds, 2 double bonds, and 4 rotatable bonds.",CC(C)[NH+](C(=CC=O)C(C)(C)C)C(C)C
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,CC1CCC2(CCN(C(=O)C3([NH3+])CCC3)C2)C1
AddComponent,Modify the molecule N#Cc1cccnc1Nc1ccccc1OC(F)F by adding a carboxyl.,N#Cc1cccnc1Nc1cccc(C(=O)O)c1OC(F)F
SubComponent,Substitute a halo in the molecule O=C([O-])C1CCC[NH+](C(c2ccccc2Cl)c2cc(C(F)(F)F)ccc2Cl)C1 with a nitrile.,N#Cc1ccccc1C(c1cc(C(F)(F)F)ccc1Cl)[NH+]1CCCC(C(=O)[O-])C1
DelComponent,Modify the molecule benzene ring by removing a c1ccc2c(c1)Sc1ccccc1N2c1ccc(-n2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nn2)cc1.,c1ccc2c(c1)Sc1ccccc1N2c1ccc(-n2cc(-n3c4ccccc4c4ccccc43)nn2)cc1
LogP,Modify the molecule CCC(CC)C([NH3+])c1ccccc1OC to decrease its LogP value.,CCC(CC)C([NH3+])OC
MR,Please modify the molecule c1ccc(-c2ccc(-c3cc4c(c5c3oc3ccccc35)-c3cc5c(cc3C43c4ccccc4-c4ccccc43)-c3c(cc(-c4ccc(-c6ccccc6)cc4)c4oc6ccccc6c34)C53c4ccccc4-c4ccccc43)cc2)cc1 to decrease its MR value.,c1ccc(-c2ccc(-c3cc4c(c5c3oc3ccccc35)-c3cc5c(cc3C43c4ccccc4-c4ccccc43)-c3c(cc(-c4ccccc4)c4oc6ccccc6c34)C53c4ccccc4-c4ccccc43)cc2)cc1
QED,Modify the molecule CCC(C)C[NH+](CC)Cc1sccc1Br to have a lower QED value.,CCC(C)C[NH+](CC)Cc1cccs1
AtomNum,"The molecule is composed of 23 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccc2c(c1)CCCC2
BondNum,"The molecule contains 12 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",Clc1nnc(C[NH+]2CC3C[NH2+]CC3C2)s1
FunctionalGroup,The molecule consists of and 1 halo group.,CCN=CC(Cl)=CC(C)C
AddComponent,Add a hydroxyl to the molecule CNc1ccc2oc(C(C)=O)cc2c1.,CNc1cc2cc(C(C)=O)oc2cc1O
SubComponent,Substitute a hydroxyl in the molecule Nc1nc(=O)n(C2OC(CO)C(=CF)C2O)cc1Br with a halo.,Nc1nc(=O)n(C2OC(CF)C(=CF)C2O)cc1Br
DelComponent,Remove a halo from the molecule O=C(Cc1ccc(F)c(F)c1)C1CCCCC1C(F)(F)F.,O=C(Cc1cccc(F)c1)C1CCCCC1C(F)(F)F
LogP,Optimize the molecule COc1ccc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2I)cc1 to have a lower LogP value.,CC(=O)c1ccccc1C(=O)NC(=Cc1ccccc1)C(=O)Nc1ccc(OC)cc1
MR,Modify the molecule CC(C)CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)C)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C to increase its MR value.,CC(C)CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)C)COP(=O)([O-])OCC(Br)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C
QED,Please modify the molecule Cc1cccc(CN=Nc2nc(-c3ccccc3)nc(N3CCOCC3)c2C)c1 to increase its QED value.,Cc1cccc(CN=Nc2ncnc(N3CCOCC3)c2C)c1
AtomNum,"The molecule contains 16 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",COC(=O)c1ccoc1COc1nc(Cc2ccc(F)cc2)no1
BondNum,"Please generate a molecule consisting 11 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",O=[N+]([O-])c1c(C(F)F)ncc(F)c1OC(F)(F)F
FunctionalGroup,"The molecule contains 2 hydroxyl groups, 1 amine group, and 2 halo groups.",CC(C)(C)C(CC(O)O)Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F
AddComponent,Modify the molecule COC(=O)c1sccc1S(=O)(=O)NCCNc1cc(-n2cccc2)ncn1 by adding a hydroxyl.,COC(=O)c1sccc1S(=O)(=O)NCCNc1ncnc(-n2cccc2)c1O
SubComponent,Modify the molecule C=C(C=CC)c1c(C)nn2c1Nc1c(C#N)cccc1N2 by substituting a nitrile with a halo.,C=C(C=CC)c1c(C)nn2c1Nc1c(Cl)cccc1N2
DelComponent,Remove a halo from the molecule O=c1[nH]c(-c2ccsc2Cl)ncc1Br.,O=c1[nH]c(-c2ccsc2)ncc1Br
LogP,Modify the molecule Cc1cccc(NC(=O)CCNc2ccc(F)cc2F)c1 to increase its LogP value.,Cc1cccc(NC(=O)CCNc2ccc(S)cc2F)c1
MR,Optimize the molecule CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4cc5c(cc43)sc3ccccc35)c3cccc4c3Oc3ccccc3-c3ccccc3-4)cc21 to have a higher MR value.,CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3O)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4cc5c(cc43)sc3ccccc35)c3cccc4c3Oc3ccccc3-c3ccccc3-4)cc21
QED,Modify the molecule Oc1cc2cc(O)c(Br)cc2cc1Br to have a higher QED value.,Oc1cc2ccc(Br)cc2cc1Br
AtomNum,"The molecule is composed of 32 carbon atoms, 5 oxygen atoms, and 5 nitrogen atoms.",CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C1CN(C(=O)[O-])Cc2ccccc21
BondNum,"The molecule contains 12 single bonds, 2 double bonds, 1 rotatable bond, and 11 aromatic bonds.",COC(=O)c1cc2c(s1)Oc1cc(C(F)(F)F)ccc1C(=S)N2
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 halo group.",C[NH+](C)C1(CNC(=O)Cc2ccc(Cl)cc2)CCCCCC1
AddComponent,Add a hydroxyl to the molecule [C-]#[N+]CCOP(OC(C)c1cc(OCCCO)ccc1[N+](=O)[O-])N(C(C)C)C(C)C.,[C-]#[N+]CCOP(OC(C)c1cc(OCCCO)cc(O)c1[N+](=O)[O-])N(C(C)C)C(C)C
SubComponent,Modify the molecule halo by substituting a CCOc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(Br)c(Cl)c3)n2C)cc1 with a thiol.,CCOc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(S)c(Cl)c3)n2C)cc1
DelComponent,Modify the molecule amine by removing a CC(C)(C)CCC(Nc1cc(=O)n2ccccc2n1)C(N)=O.,CC(C)(C)CCC(C(N)=O)c1cc(=O)n2ccccc2n1
LogP,Modify the molecule COc1cncnc1N1CC[NH2+]C(C)C1CCCc1csc2ccc(F)cc12 to have a higher LogP value.,COc1cncnc1N1CC[NH2+]C(C)C1CCCc1csc2ccc(S)cc12
MR,Modify the molecule CCOC(=O)C1(C[NH+]=C(N)N2CCC(C)CC2)CC1 to increase its MR value.,CCOC(=O)C1(C[NH+]=C(N)N2CCC(C)C(O)C2)CC1
QED,Modify the molecule Cc1cc(C)c(CNC(=O)CCOCC(F)(F)F)c(C)c1 to decrease its QED value.,Cc1cc(C)c(CNC(=O)CCOCC(F)(F)C(=O)[OH])c(C)c1
AtomNum,"There is a molecule consisting of 5 carbon atoms, 2 sulfur atoms, and 1 selenium atom.",CSc1ccc([S-])[se]1
BondNum,"Please generate a molecule with 9 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",[NH3+]C1CCN(Cc2cc(-c3ccccc3)n[nH]2)C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 sulfide group.",CCOc1cc(C[NH3+])ccc1OCc1cscn1
AddComponent,Please add a hydroxyl to the molecule O=C(c1ccc2c(c1)OCCCO2)N(Cc1cccnc1)c1ccccc1.,O=C(c1ccc2c(c1)OCCC(O)O2)N(Cc1cccnc1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C([O-])c1cccc(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2ccc(Cl)cc23)c1 with a carboxyl.,O=C([O-])c1cccc(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2ccc(C(=O)[OH])cc23)c1
DelComponent,Modify the molecule nitrile by removing a CC(Cn1ccnc1)[NH2+]CC1(CC#N)CC1.,CC(Cn1ccnc1)[NH2+]CC1(C)CC1
LogP,Please modify the molecule CCN(Cc1ccccc1)C(=O)C[NH+](CC)CCCO to increase its LogP value.,CCC[NH+](CC)CC(=O)N(CC)Cc1ccccc1
MR,Please optimize the molecule Cc1nc(NC(=S)Nc2ncccc2O)sc1C to have a higher MR value.,Cc1nc(NC(=S)Nc2ncccc2NO)sc1C
QED,Modify the molecule O=C(COCc1ccccc1)N1CCOC1=O to have a lower QED value.,O=C1OCC1OCc1ccccc1
AtomNum,"The molecule consists of 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCNS(=O)(=O)c1cc(C(=O)NCc2cccc(C)c2)ccc1OC
BondNum,"The molecule has 8 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",Cc1cc(I)ccc1NC(=O)Nc1cccc(Cl)c1C
FunctionalGroup,"Please generate a molecule consisting 1 halo group, and 1 nitrile group.",N#CC12CC3CC(CC(C3)C1I)C2
AddComponent,Modify the molecule C[NH+](CCCCNc1nccc2cc(F)ccc12)CCCCNc1nccc2cc(F)ccc12 by adding a hydroxyl.,C[NH+](CCCCNc1nccc2cc(F)ccc12)CCCCNc1nccc2cc(F)cc(O)c12
SubComponent,Substitute a CC[NH+](CCC([NH2+]C)c1ccccc1Br)CC1CC1 in the molecule halo with a nitrile.,CC[NH+](CCC([NH2+]C)c1ccccc1C#N)CC1CC1
DelComponent,Remove a hydroxyl from the molecule CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC(COC(=O)CCCC=CCC=CCCCCCCCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.,CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC(COC(=O)CCCC=CCC=CCCCCCCCCCCC)COC1OC(COC2CC(O)C(O)C(CO)O2)C(O)C(O)C1O
LogP,Optimize the molecule Nc1nonc1-c1noc(C(Cl)(Cl)Cl)n1 to have a lower LogP value.,CC(=O)C(Cl)(Cl)c1nc(-c2nonc2N)no1
MR,Modify the molecule CCC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1 to have a lower MR value.,CCC(C)Oc1ccc(C(=O)NC(=S)c2ccc(OCCC(C)C)cc2)cc1
QED,Please modify the molecule Cc1ccc(S(=O)(=O)NCC2OCC([NH2+]Cc3cccc(C#N)c3)C2O)cc1 to decrease its QED value.,Cc1ccc(S(=O)(=O)NCC2OCC([NH2+]Cc3cccc(C#N)c3)C2NO)cc1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 2 chlorine atoms.",COCCNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-]
BondNum,"The molecule is composed of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",CCn1cnc2sc(C(=O)N3CCN(c4ccc(C)cc4)C(C)C3)c(C)c2c1=O
FunctionalGroup,"There is a molecule with 1 hydroxyl group, 1 ester group, 4 amide groups, 1 thioether group, and 1 sulfide group.",CCC(C)C1NC(=O)C(C)NC(=O)C(C)NC(=O)CCC2CSC(=N2)C(C)C(O)CC(C)CC(C(C)(C)C)OC(=O)C(C)N(C)C1=O
AddComponent,Modify the molecule CCN1C(=O)c2ccccc2Sc2cc(NC(=O)c3ccc(Br)o3)ccc21 by adding a benzene ring.,CCN1C(=O)c2ccc(-c3ccccc3)cc2Sc2cc(NC(=O)c3ccc(Br)o3)ccc21
SubComponent,Please substitute a halo in the molecule COc1ccc2c(c1)C(CC(=O)Nc1c(F)cccc1F)CC2 with a hydroxyl.,COc1ccc2c(c1)C(CC(=O)Nc1c(O)cccc1F)CC2
DelComponent,Remove a benzene ring from the molecule CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1.,CC(=O)NCc1csc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1
LogP,Please optimize the molecule COCc1ccc(C[NH+]2CCCC(c3[nH]ncc3-c3cccc(C)c3)C2)o1 to have a lower LogP value.,COCc1ccc(C[NH+]2CCCC(c3[nH]ncc3C)C2)o1
MR,Modify the molecule CNC(=O)c1cccc(CNC(=O)c2nn(-c3c(F)cccc3F)cc2C)c1 to decrease its MR value.,CNC(=O)c1cccc(Cn2n(-c3c(F)cccc3F)cc-2C)c1
QED,Please modify the molecule C#CCNC(=O)C(C)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 to decrease its QED value.,C#CCNC(=O)C(C)S(=O)(=O)c1ccc(C(=O)[O-])c(C(=O)[OH])c1
AtomNum,"The molecule consists of 25 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",COCC1CN(c2c[nH]c3ncc(-c4ccn(Cc5cccc(Cl)c5)c(=O)c4)c-3c2)CCO1
BondNum,"Please generate a molecule consisting 10 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCCN(Cc1cc(CC)nn1C)c1cccc(N)c1
FunctionalGroup,"Please generate a molecule composed of 1 amine group, 1 sulfide group, and 1 sulfone group.",CC1CCC(NS(=O)(=O)c2ccc(CC(=O)[O-])s2)CC1
AddComponent,Please add a hydroxyl to the molecule CC12CCC3(OCCO3)C(C)(C)C1CCC1(CCCl)CCCC=C12.,CC12CCC3(OCCO3)C(C)(C)C1CCC1(CC(O)Cl)CCCC=C12
SubComponent,Substitute a O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[NH2+]CC1c1cccnc1 in the molecule halo with a hydroxyl.,O=S(=O)(Cc1c(O)cccc1Cl)N1CC[NH2+]CC1c1cccnc1
DelComponent,Modify the molecule Cc1nn(C)c(C)c1C(=O)C=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1 by removing a halo.,Cc1nn(C)c(C)c1C(=O)C=Cc1ccc(COc2cccc(Cl)c2)o1
LogP,Please optimize the molecule C[NH2+]C(CO)(CN(C)C1CCOCC1)c1ccccc1 to have a lower LogP value.,C[NH2+]C(CO)(CN(C)C1CCOCC1O)c1ccccc1
MR,Modify the molecule CC(=O)c1c(C)[nH]c(C(=O)N2CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C2)c1C to have a lower MR value.,CC(=O)c1c(C)[nH]-c1(C)C1CCC(CN(C(=O)OC(C)(C)C)C(C)C)C1
QED,Modify the molecule CCc1ccc(S(=O)(=O)Nc2ccc3ocnc3c2)s1 to decrease its QED value.,CCc1ccc(S(=O)(=O)c2ccc3ocnc3c2)s1
AtomNum,"There is a molecule consisting of 10 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",Cc1[nH]nc(C(=O)[O-])c1S(=O)(=O)NC1CC[NH2+]CC1
BondNum,"The molecule is composed of 16 single bonds, 3 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",COc1ccc(N2C(=O)C(Nc3ccc(OC)c(OC)c3)=C(c3ccc(C)c(C)c3)C2=O)cc1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 1 ester group, 1 amine group, 2 halo groups, 2 thioether groups, 1 sulfide group, and 1 sulfone group.",O=C(CC1(CSC(CCNS(=O)(=O)c2ccc(Cl)cc2)c2cccc(C=Cc3ccc4ccc(Cl)cc4n3)c2)CC1)OCc1ccccc1
AddComponent,Please add a hydroxyl to the molecule O=c1ncc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c[nH]1.,O=c1nc(O)c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c[nH]1
SubComponent,Modify the molecule halo by substituting a O=C([O-])c1cnc(Nc2ccc(Br)cc2)c(Cl)c1 with a hydroxyl.,O=C([O-])c1cnc(Nc2ccc(O)cc2)c(Cl)c1
DelComponent,Remove a CCc1ccc(N2C(=O)CN(Cc3cc(OC)c(OC)c(OC)c3)C2=S)cc1 from the molecule amide.,CCc1ccc(N(C=S)Cc2cc(OC)c(OC)c(OC)c2)cc1
LogP,Modify the molecule Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(Cl)cc2Cl)CC1 to have a lower LogP value.,Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(Cl)cc2)CC1
MR,Please optimize the molecule CCC[NH2+]CCCCCOC(C)COC to have a higher MR value.,CCC[NH2+]CCCC(COC(C)COC)c1ccccc1
QED,Please modify the molecule Cc1ccc2c(c1)CCC2NC(=O)C1CC12CC[NH2+]CC2 to decrease its QED value.,Cc1ccc2c(c1)CCC2CC1CC[NH2+]CC1
AtomNum,"The molecule is composed of 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc(C)c(CC(=O)N(C)CC2C[NH2+]CCO2)c1
BondNum,"There is a molecule composed of 15 single bonds, 3 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C=CC(=O)NC(C)C(=O)N(C)CCOc2ccc(F)cc2)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 halo group.",O=c1c2cc(Br)ccc2[nH]c2c1ncn2CCc1ccccc1
AddComponent,Please add a benzene ring to the molecule Cc1oc(-c2ccccc2)nc1CC(=O)N1C(C(=O)[O-])CC2CCCCC21.,Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CC(=O)N1C(C(=O)[O-])CC2CCCCC21
SubComponent,Please substitute a halo in the molecule CC(C)n1cc(S(=O)(=O)N(C)Cc2ccsc2)cc1CCl with a thiol.,CC(C)n1cc(S(=O)(=O)N(C)Cc2ccsc2)cc1CS
DelComponent,Modify the molecule amine by removing a CCn1cc(S(=O)(=O)NC(C)c2ncc(C)s2)cc1C[NH3+].,CCn1cc(S(=O)(=O)C(C)c2ncc(C)s2)cc1C[NH3+]
LogP,Optimize the molecule O=C(C1CCN(c2nnc3ccc(Cl)cn23)CC1)N1CCOCC1 to have a lower LogP value.,O=C(O)c1cc2nnc(N3CCC(C(=O)N4CCOCC4)CC3)n2cc1Cl
MR,Modify the molecule CCCCCCCc1ccc(CC2CCCc3[nH]c4cc(O)ccc4c32)cc1 to have a higher MR value.,CCCCCCCc1ccc(CC2CCCc3[nH]c4cc(C(=O)[OH])ccc4c32)cc1
QED,Please modify the molecule CC(CCCCNC(=O)C(O)C(O)C(O)C(O)CO)c1ccc(Cl)c(C[NH2+]C2(c3cnccc3-c3ccccc3OC3CC3)CC2)c1 to increase its QED value.,CC(CCCCNC(=O)C(O)C(O)C(O)C(O)CO)c1cccc(C[NH2+]C2(c3cnccc3-c3ccccc3OC3CC3)CC2)c1
AtomNum,"There is a molecule composed of 32 carbon atoms, and 2 oxygen atoms.",CCCCCCCC1CCC(C2CCC(C3CCC(OC(=O)CCCCCC)CC3)CC2)CC1
BondNum,"The molecule consists of 10 single bonds, 1 double bond, 6 rotatable bonds, and 18 aromatic bonds.",CCc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(F)c2F)cc1
FunctionalGroup,"Please generate a molecule with 4 benzene ring groups, 3 hydroxyl groups, and 3 amine groups.",Cc1cc(Nc2nc(NCCO)nc(Nc3ccc(N=Nc4cc(OCO)cc(C(=O)[O-])c4)c(C)c3)n2)ccc1N=Nc1cc(OCO)cc(C(=O)[O-])c1
AddComponent,Please add a benzene ring to the molecule [NH3+]NC(=O)N1CC(O)C(O)C1.,[NH3+]NC(=O)N1CC(O)C(O)(c2ccccc2)C1
SubComponent,Modify the molecule halo by substituting a CCOc1nc(NC)nc(OC(F)(F)F)n1 with a aldehyde.,CC(=O)C(F)(F)Oc1nc(NC)nc(OCC)n1
DelComponent,Remove a COC(=O)Cc1cc2cc(O)sc2cc1O from the molecule hydroxyl.,COC(=O)Cc1ccc2sc(O)cc2c1
LogP,Modify the molecule Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(C)c1 to decrease its LogP value.,Cc1ccc(OC(=O)COc2ccccc2)c(C)c1
MR,Modify the molecule Cc1ccc(-c2nnc(SCC(=O)c3cc(F)ccc3F)o2)cc1C to increase its MR value.,Cc1ccc(-c2nnc(SCC(=O)c3cccc(F)c3)o2)cc1C
QED,Optimize the molecule CCN(C(=O)C(=O)NCc1cccc(C)c1)C1CCS(=O)(=O)C1 to have a lower QED value.,CCNC(=O)C(=O)N(CC)C1CCS(=O)(=O)C1
AtomNum,"There is a molecule with 15 carbon atoms, 7 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",COCCOc1cc(NS(=O)(=O)c2cccs2)c(C(=O)[O-])cc1OC
BondNum,"The molecule consists of 10 single bonds, 1 double bond, 5 rotatable bonds, and 10 aromatic bonds.",[NH3+]CCn1cnc(-c2nc(C(=O)NC3CC3)no2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 halo group.",COc1ccc(Cl)c(-n2cncc2C2CC[NH2+]C2)c1
AddComponent,Add a benzene ring to the molecule C=C(C=C(C)C)CNC(=O)c1cn(CCC[NH+]2CCC(c3nc4ccccc4s3)CC2)c2c(OC)cccc12.,C=C(C=C(C)C)CNC(=O)c1cn(CCC[NH+]2CCC(c3nc4ccc(-c5ccccc5)cc4s3)CC2)c2c(OC)cccc12
SubComponent,Modify the molecule hydroxyl by substituting a CC[NH2+]CC1CC[NH+](CC(O)COC(C)C)CC1 with a halo.,CC[NH2+]CC1CC[NH+](CC(Br)COC(C)C)CC1
DelComponent,Modify the molecule CCC(C)=Nc1ccc(OCC(C)C)cc1 by removing a benzene ring.,CCC(C)=NOCC(C)C
LogP,Modify the molecule CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)c(F)c3)C2c2ccccn2)cc1 to have a lower LogP value.,CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C#N)c(F)c3)C2c2ccccn2)cc1
MR,Modify the molecule CC(Cl)Cc1ccccc1S(=O)(=O)NC(C)C to decrease its MR value.,CCCc1ccccc1S(=O)(=O)NC(C)C
QED,Optimize the molecule COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)C2CCCC2)cc1 to have a higher QED value.,COCCS(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)C1CCCC1
AtomNum,"The molecule contains 40 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 2 fluorine atoms.",Cc1ccc(NC(=O)c2cccc(C)c2NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4ccccc4F)c3C)CC2)cc1F
BondNum,"The molecule consists of 22 single bonds, 1 double bond, 12 rotatable bonds, and 22 aromatic bonds.",[NH3+]C(CCSCC1OC(n2cnc3c(NCCc4ccc(-c5ccccc5)cc4)nc(Cl)nc32)C(O)C1O)C(=O)[O-]
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 1 halo group, 1 thioether group, and 1 sulfide group.",Cc1ccc(F)cc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1
AddComponent,Please add a hydroxyl to the molecule Cc1cc(CNC(=O)CN(C)C2CCS(=O)(=O)C2)ccn1.,Cc1cc(C(O)NC(=O)CN(C)C2CCS(=O)(=O)C2)ccn1
SubComponent,Modify the molecule COc1ccccc1C1C(c2cccc(OC)c2OC)=C(O)C(=O)N1c1cccc(C#N)c1 by substituting a hydroxyl with a halo.,COc1ccccc1C1C(c2cccc(OC)c2OC)=C(I)C(=O)N1c1cccc(C#N)c1
DelComponent,Please remove a CCCOC(=O)c1ccc(-n2nnnc2C(C)[NH3+])cc1 from the molecule benzene ring.,CCCOC(=O)n1nnnc1C(C)[NH3+]
LogP,Modify the molecule Cc1cc(C(=O)N(C)C(C)C[NH3+])on1 to have a lower LogP value.,Cc1noc(C(=O)N(C)C(C)C[NH3+])c1O
MR,Optimize the molecule C[Si](C)(C)N[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)N[Si](C)(C)C to have a lower MR value.,C[Si](C)(C)N[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)[Si](C)(C)C
QED,Please modify the molecule CCN(Cc1c(F)cccc1F)C(=O)C1CCC([NH3+])C1 to decrease its QED value.,CCN(Cc1ccccc1F)C(=O)C1CCC([NH3+])C1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC(C)(C)OC(=O)NC1CC([NH2+]Cc2cccc(F)c2O)C1
BondNum,"Please generate a molecule composed of 15 single bonds, 2 double bonds, 5 rotatable bonds, and 23 aromatic bonds.",Cc1cc(C2C(c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1C(=O)[O-]
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, 1 thioether group, and 1 sulfide group.",CSNC(C)c1ccc(C[NH2+]CC2Cc3ccccc3CO2)cc1
AddComponent,Add a carboxyl to the molecule c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6ccn(-c7ccccc7)c6c5)ccc43)nc3c2sc2ccc4sc5ccccc5c4c23)cc1.,O=C(O)c1ccc(-n2ccc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)c5sc6ccc7sc8ccccc8c7c6c5n4)cc32)cc1
SubComponent,Modify the molecule halo by substituting a Cc1ccccc1C(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)N4CCC(C)CC4)c3C)CC2)cc1Cl with a carboxyl.,Cc1ccccc1C(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)N4CCC(C)CC4)c3C)CC2)cc1C(=O)[OH]
DelComponent,Please remove a halo from the molecule CCC(CC)C(=O)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1.,CCC(CC)C(=O)N1CCN(c2nc3ccccc3nc2C(F)F)CC1
LogP,Modify the molecule CCc1cc(I)cc(C)c1C1=C(OC(=O)C(C)(C)C)C(C)(C)NC1=O to decrease its LogP value.,CCc1cc(NO)cc(C)c1C1=C(OC(=O)C(C)(C)C)C(C)(C)NC1=O
MR,Please modify the molecule O=C(NCC1CCCCC1O)c1cncc(Cl)n1 to increase its MR value.,N#CC1CCCCC1CNC(=O)c1cncc(Cl)n1
QED,Modify the molecule Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1 to increase its QED value.,Cc1ccc(C)c(CC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1
AtomNum,"Please generate a molecule composed of 22 carbon atoms, and 1 nitrogen atom.",c1ccc(C[NH+](Cc2ccccc2)C2CCCCC3CC32)cc1
BondNum,"Please generate a molecule with 8 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",CCNC(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 halo groups.",Cc1ccccc1OCOC1(Cl)C=CC(CCn2ccnc2)C(Cl)=C1
AddComponent,Please add a benzene ring to the molecule C=CCn1c(C)c(C=C(C#N)C(=O)NCCCOC)c2ccccc21.,C=CCn1c(C)c(C=C(C#N)C(=O)NCCCOC)c2cccc(-c3ccccc3)c21
SubComponent,Substitute a halo in the molecule CCCCN(CC(F)(F)F)C(=O)C1CCN(C(=O)C(C)C)CC1 with a carboxyl.,CCCCN(CC(F)(F)C(=O)[OH])C(=O)C1CCN(C(=O)C(C)C)CC1
DelComponent,Modify the molecule benzene ring by removing a CCCc1ccc(N(C)C(=O)C=O)cc1.,CCCN(C)C(=O)C=O
LogP,Modify the molecule Nc1ccc(=O)n(Cc2cc(Br)cs2)n1 to decrease its LogP value.,Nc1ccc(=O)n(Cc2cc(O)cs2)n1
MR,Modify the molecule CC(C)(O)C(O)CC12CCC3C(C)(C)CCCC3(C)C1=CCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] to have a lower MR value.,CC(C)(O)CCC12CCC3C(C)(C)CCCC3(C)C1=CCN2S(=O)(=O)c1ccccc1[N+](=O)[O-]
QED,Please modify the molecule Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)N1CCCC1 to increase its QED value.,Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1C1CCCC1
AtomNum,"There is a molecule with 12 carbon atoms, 2 sulfur atoms, and 4 chlorine atoms.",CCCCc1ccc(SC(Cl)Cl)c(SC(Cl)Cl)c1
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CC(C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, and 3 halo groups.",COc1cc(F)c(C(O)CCl)cc1F
AddComponent,Please add a benzene ring to the molecule C[NH+]=C(NCc1ccccc1OC(F)F)NCC1([NH+]2CCOCC2)CCSC1.,C[NH+]=C(NCc1ccccc1OC(F)F)NCC1([NH+]2CCOCC2c2ccccc2)CCSC1
SubComponent,Substitute a CCCCN(CCCC)c1cc(C#N)cc(S(N)(=O)=O)c1Oc1ccccc1 in the molecule nitrile with a nitro.,CCCCN(CCCC)c1cc(NO)cc(S(N)(=O)=O)c1Oc1ccccc1
DelComponent,Remove a [NH3+]C1CC[NH+](Cc2c[nH]c3ccc(Cl)cc23)CC1 from the molecule halo.,[NH3+]C1CC[NH+](Cc2c[nH]c3ccccc23)CC1
LogP,Please modify the molecule COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(F)ccc2O)c1 to increase its LogP value.,COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)c2)c1
MR,Please modify the molecule O=C(CSc1ncn[nH]1)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1 to decrease its MR value.,O=C(CSc1ncn[nH]1)Nc1cccc(C(F)(F)F)c1
QED,Please optimize the molecule O=C1OCC(c2ccc([N+](=O)[O-])cc2)C1CS to have a lower QED value.,O=C1OCC([N+](=O)[O-])C1CS
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCCNc1nccc(NC(C(=O)OC)C(C)C)n1
BondNum,"Please generate a molecule consisting 10 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",O=C(Cc1c(Cl)cccc1Cl)NC(CF)C(=O)[O-]
FunctionalGroup,There is a molecule consisting of and 4 ester groups.,CC(=O)OCCC1OC(CC(=O)[O-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
AddComponent,Please add a benzene ring to the molecule CC[NH2+]C1CC(C)CCC1C(C)(C)Cc1cccnc1.,CC[NH2+]C1CC(C)CCC1C(C)(C)Cc1ccc(-c2ccccc2)nc1
SubComponent,Substitute a halo in the molecule Cc1cc(F)ccc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C with a carboxyl.,Cc1cc(C(=O)[OH])ccc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C
DelComponent,Please remove a amide from the molecule Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-].,Cc1ccc(C(=O)Oc2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-]
LogP,Modify the molecule Cc1cccc2nc(C3CC[NH+](Cc4ncccc4O)CC3)oc12 to increase its LogP value.,Cc1cccc2nc(C3CC[NH+](Cc4ncccc4C#N)CC3)oc12
MR,Please optimize the molecule COc1ccc(-c2noc(CN(C(=O)c3ccoc3C)C3CCCCC3)n2)cc1OC to have a lower MR value.,COc1ccc(-c2noc(Cc3(C)occC34CCCCC4)n2)cc1OC
QED,Modify the molecule O=C1OC(Cc2ccccc2)(c2ccccc2)C1(F)F to have a lower QED value.,O=C1OC(Cc2ccccc2)(c2ccccc2)C1F
AtomNum,"There is a molecule composed of 11 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",C=CC(=O)OCCC(COC(=O)C=C)NC(=O)[O-]
BondNum,"There is a molecule composed of 13 single bonds, 1 double bond, 8 rotatable bonds, and 6 aromatic bonds.",CCCCCC(C)(OC)C(=O)Nc1ccc(OC)nc1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 2 amide groups.",CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Cn1c(-c2cccc(C)c2)n[nH]c1=S
AddComponent,Please add a hydroxyl to the molecule CCc1nc2ccc(OCc3ccc(C[NH3+])cc3)cc2[nH]1.,[NH3+]Cc1ccc(COc2ccc3nc(CCO)[nH]c3c2)cc1
SubComponent,Substitute a COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC8(C)C(C(C)(O)C(CC=C(C)C)OC(C)=O)CCC8(C)C7=CCC6C5(C)C)OCC(OS(=O)(=O)[O-])C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O in the molecule hydroxyl with a nitro.,COC1C(O)C(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC8(C)C(C(C)(O)C(CC=C(C)C)OC(C)=O)CCC8(C)C7=CCC6C5(C)C)OCC(OS(=O)(=O)[O-])C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)OC(CO)C1NO
DelComponent,Please remove a Clc1ccc(C=CCNn2cnnc2)cc1 from the molecule benzene ring.,ClC=CCNn1cnnc1
LogP,Please modify the molecule CC[NH2+]C(Cc1ccc(Br)cc1)C1CCc2ccccc21 to decrease its LogP value.,CC[NH2+]C(CBr)C1CCc2ccccc21
MR,Please modify the molecule O=C([O-])CC1CNCC[N+]1(CC(=O)[O-])C(=O)CN1CC(c2ccccc2)CC1=O to decrease its MR value.,O=C([O-])CC1CNCC[N+]1(CC(=O)[O-])C(=O)CCCc1ccccc1
QED,Please optimize the molecule COc1cc(CC(C)C(O)(CO)Cc2cc(OC)c(O)c(OC)c2)ccc1O to have a lower QED value.,COc1cc(CC(C)C(CO)(Cc2cc(OC)c(O)c(OC)c2)C(=O)[OH])ccc1O
AtomNum,"The molecule contains 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1
BondNum,"There is a molecule with 10 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CSCCC(C)Nc1nc(C(=O)[O-])ccc1N
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, and 1 halo group.",CC(Oc1ccccc1)C(=O)NCC#Cc1ccc(F)cc1
AddComponent,Add a benzene ring to the molecule CCOC(=O)C1CCCN(c2c(S(=O)(=O)c3ccc(CC)cc3)c[nH+]c3ccc(C)cc23)C1.,CCOC(=O)C1(c2ccccc2)CCCN(c2c(S(=O)(=O)c3ccc(CC)cc3)c[nH+]c3ccc(C)cc23)C1
SubComponent,Please substitute a F[B-]1(F)n2c(ccc2-c2ccc(-c3ccccc3)cc2)C(C(F)(F)F)=C2C=CC(c3ccccc3)=[N+]21 in the molecule halo with a carboxyl.,O=C([OH])[B-]1(F)n2c(ccc2-c2ccc(-c3ccccc3)cc2)C(C(F)(F)F)=C2C=CC(c3ccccc3)=[N+]21
DelComponent,Please remove a benzene ring from the molecule CCCCCCCC(=O)N1CCN(c2ccc(NC(=O)Nc3cccc(F)c3)cc2)CC1.,CCCCCCCC(=O)N1CCN(c2ccc(NC(=O)NF)cc2)CC1
LogP,Please modify the molecule CC(C)COC(=O)NC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1 to decrease its LogP value.,CC(C)COC(=O)NC1CCN(c2ccc(O)cc2Cl)C(c2ccc(Cl)cc2)C1
MR,Optimize the molecule CC(=O)CC(=O)NC1(C)CCCC1 to have a lower MR value.,CC(=O)C1(C)CCCC1
QED,Please optimize the molecule CCC(=O)NCC1CCC(C)CC1 to have a lower QED value.,CCC(=O)NC(N)C1CCC(C)CC1
AtomNum,"The molecule is composed of 21 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCCc1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
BondNum,"Please generate a molecule with 12 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCCCCC(C)(C)CNc1ncc(Cl)cc1Cl
FunctionalGroup,"Please generate a molecule with 1 thioether group, and 1 sulfide group.",CCC(CC)C(CC)(CC)N(CC)C(=S)SC(P(=O)([O-])[O-])P(=O)([O-])[O-]
AddComponent,Please add a carboxyl to the molecule CC(C)(C#N)CCC[NH+]1CCCC2(C1)OCCO2.,CC(C)(C#N)CCC[NH+]1CCC(C(=O)O)C2(C1)OCCO2
SubComponent,Modify the molecule BrC1CCCCCC1Cc1csnn1 by substituting a halo with a hydroxyl.,OC1CCCCCC1Cc1csnn1
DelComponent,Please remove a amine from the molecule Nc1ccc2c(c1)c1ccccc3c4ccccc4c2c31.,c1ccc2c(c1)c1ccccc3c4ccccc4c2c13
LogP,Modify the molecule COc1c(C(CC(=O)[O-])C2CC2)cc(F)c(S(C)(=O)=O)c1F to decrease its LogP value.,COc1c(C(CC(=O)[O-])C2CC2)ccc(S(C)(=O)=O)c1F
MR,Modify the molecule Cc1noc(N)c1C(=O)OC(C)C(=O)Nc1ccccc1 to decrease its MR value.,Cc1noc(N)c1C(=O)OCc1ccccc1
QED,Please modify the molecule CCS(=O)(=O)c1ccc(C(=O)OC(C)C)cc1 to increase its QED value.,CCS(=O)(=O)c1ccc(C(=O)OC(C)C)cc1O
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",CC[NH2+]Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cs1
BondNum,"Please generate a molecule with 9 single bonds, 2 double bonds, 5 rotatable bonds, and 20 aromatic bonds.",CCOC(=O)Oc1cc2c(Nc3cc4sc(=O)[nH]c4cc3OC)ncnc2[nH]1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 sulfone group.",C#Cc1cccc(S(=O)(=O)N2CCOC3(CC[NH2+]CC3)C2)c1
AddComponent,Add a hydroxyl to the molecule C=C(C(=O)N1CCN(c2ccccn2)CC1)c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1.,C=C(C(=O)N1CCN(c2cccc(O)n2)CC1)c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1
SubComponent,Please substitute a hydroxyl in the molecule COc1cc2c(cc1OC)C[N+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)(Cc1ccc(OC3CC(C(=O)[O-])C(O)C(O)C3O)c(NC(=O)CCNC(=O)C(C[NH3+])N3C(=O)C=CC3=O)c1)CC2 with a nitro.,COc1cc2c(cc1OC)C[N+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)(Cc1ccc(OC3CC(C(=O)[O-])C(NO)C(O)C3O)c(NC(=O)CCNC(=O)C(C[NH3+])N3C(=O)C=CC3=O)c1)CC2
DelComponent,Modify the molecule benzene ring by removing a N#Cc1ccc(C([NH2+]CC2CCCO2)C(N)=O)cc1.,N#CC([NH2+]CC1CCCO1)C(N)=O
LogP,Modify the molecule NS(=O)(=O)c1ccc2occc(=O)c2c1 to have a lower LogP value.,NS(=O)(=O)c1ccc2occ(O)c(=O)c2c1
MR,Optimize the molecule CCOc1ccccc1N=c1oc2ccc(Cl)cc2cc1C(=O)NCc1ccco1 to have a lower MR value.,CCOc1ccccc1N=c1oc2ccc(C#N)cc2cc1C(=O)NCc1ccco1
QED,Modify the molecule CCC(CC)Oc1ccc(-c2cnc(-c3ccc(CC(NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N4CC(C(=O)[O-])C4)cc3)nc2)cc1 to have a higher QED value.,CCC(CC)Oc1ccc(-c2cnc(-c3ccc(C4CC(C(=O)[O-])C4NC(=O)c4ccc(C(C)(C)C)s4)cc3)nc2)cc1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(NC(=O)[NH+]=C2CCCN2C)cc1
BondNum,"There is a molecule consisting of 13 single bonds, 1 triple bond, 1 rotatable bond, and 6 aromatic bonds.",C[NH+]1CCC(O)(C2(C#N)CCc3ccccc32)C1
FunctionalGroup,"Please generate a molecule composed of 4 benzene ring groups, 4 amide groups, and 3 halo groups.",Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2c(C)cccc2C(=O)Nc2ccc(F)cc2)CC1
AddComponent,Please add a benzene ring to the molecule Cc1c(OC2CC[NH2+]CC2)ncnc1OC1CC2CCC(C1)[NH+]2CC1CC1.,Cc1c(OC2CC[NH2+]CC2)ncnc1OC1CC2CCC(C1)[NH+]2CC1(c2ccccc2)CC1
SubComponent,Please substitute a O=C(NCC(O)COc1cccc(C(F)(F)F)c1)C1(c2cccc(Br)c2)CC1 in the molecule halo with a nitro.,ONC(F)(F)c1cccc(OCC(O)CNC(=O)C2(c3cccc(Br)c3)CC2)c1
DelComponent,Remove a halo from the molecule COc1c(C2CC[NH2+]C2)cc2c(c1Br)OCCO2.,COc1cc2c(cc1C1CC[NH2+]C1)OCCO2
LogP,Modify the molecule COCc1nn2c(nnc3c(=O)n(C4CC4)ccc32)c1-c1ccc(F)cc1 to have a lower LogP value.,COCc1nn2c(nnc3c(=O)n(C4CC4)c(O)cc32)c1-c1ccc(F)cc1
MR,Modify the molecule CC(C)(Sc1ccc(C[NH+](Cc2noc(-c3ccccc3)n2)Cc2ccco2)cc1)C(=O)[O-] to decrease its MR value.,CC(C)(SC[NH+](Cc1noc(-c2ccccc2)n1)Cc1ccco1)C(=O)[O-]
QED,Please optimize the molecule CC(C)(C)OC(=O)CCC1(C(=O)NC(CO)CO)N=C(c2ccc(OCCCO)cc2)OC1c1ccc(Br)cc1 to have a lower QED value.,CC(C)(C)OC(=O)CCC1(C(=O)NC(CO)C(O)O)N=C(c2ccc(OCCCO)cc2)OC1c1ccc(Br)cc1
AtomNum,"Please generate a molecule with 21 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(CC(=O)NC1CCC(c2ccc(O)cn2)CC1)c1ccccc1
BondNum,"Please generate a molecule composed of 17 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",Cc1oc(C[NH2+]C(C)(C)C)cc1C[NH+]1CC(C)OCC1C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 3 hydroxyl groups, and 1 amide group.",COC(CC=C(C)C(=O)NO)C(O)c1ccc(OCCO)cc1
AddComponent,Modify the molecule CCCN1CCCCCCN(C(C)=O)C2CCCCC2Oc2ccccc2C1=O by adding a benzene ring.,CCCN1CCCCCCN(C(C)=O)C2CCCCC2Oc2cccc(-c3ccccc3)c2C1=O
SubComponent,Modify the molecule halo by substituting a Cc1cccc(C(=O)NC2CCCC(C)CC2)c1F with a nitrile.,Cc1cccc(C(=O)NC2CCCC(C)CC2)c1C#N
DelComponent,Modify the molecule CC(NC(=O)c1ccoc1Cl)C(=O)NC1CC1 by removing a halo.,CC(NC(=O)c1ccoc1)C(=O)NC1CC1
LogP,Modify the molecule NNC(CCCc1ccccc1)CC1CCCCCC1 to have a higher LogP value.,NC(CCCc1ccccc1)CC1CCCCCC1
MR,Modify the molecule CC([NH2+]CCCOc1cc2c(cc1O)c1c3c(c(-c4ccccc4Cl)cc1n2C)C(=O)NC3=O)c1cccnc1 to decrease its MR value.,CC([NH2+]CCCOc1cc2c(cc1O)c1c3c(c(Cl)cc1n2C)C(=O)NC3=O)c1cccnc1
QED,Optimize the molecule CCn1cc(CC[NH2+]C)c2ccc(C(F)(F)F)cc21 to have a lower QED value.,CCn1cc(CC[NH2+]C)c2ccc(C(F)F)cc21
AtomNum,"There is a molecule composed of 19 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",CN(C)c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CC2)cc1
BondNum,"Please generate a molecule with 4 single bonds, 2 double bonds, 1 rotatable bond, and 10 aromatic bonds.",Cc1cn(C)c2ccc(S(=O)(=O)Cl)cc12
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 nitrile group.",COc1ccc(C=C(C#N)C(=O)Nc2c(C)cccc2C)cc1O
AddComponent,Add a amine to the molecule CC(CCCl)CNC(=O)c1cc2ccc(F)cc2s1.,NCC(CCCl)CNC(=O)c1cc2ccc(F)cc2s1
SubComponent,Substitute a halo in the molecule CCN(C1CCCCC1)C(C[NH3+])c1cc(F)ccc1C with a carboxyl.,CCN(C1CCCCC1)C(C[NH3+])c1cc(C(=O)[OH])ccc1C
DelComponent,Remove a amide from the molecule C=C(CC(=O)NCCOCCOCC[NH3+])C(=O)[O-].,C=C(CCOCCOCC[NH3+])C(=O)[O-]
LogP,Please optimize the molecule CCC(C=C(C)C(=O)CC(O)CC(O)C(C)(C)C1(OC)OC(CC(OC)C(OCOC)C(=O)OC)CC(OC)C1O[Si](CC)(CC)CC)CO[Si](C)(C)C(C)(C)C to have a higher LogP value.,CCC(C=C(Cc1ccccc1)C(=O)CC(O)CC(O)C(C)(C)C1(OC)OC(CC(OC)C(OCOC)C(=O)OC)CC(OC)C1O[Si](CC)(CC)CC)CO[Si](C)(C)C(C)(C)C
MR,Modify the molecule O=C(Nc1cccc(F)c1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1 to increase its MR value.,O=C(Nc1cccc(O)c1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
QED,Please optimize the molecule C=CCOc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1 to have a lower QED value.,CC(=O)C(F)(Oc1ccc(C#Cc2cc(F)c(F)c(F)c2)c(F)c1)c1ccc(C#Cc2ccc(OCC=C)cc2)cc1F
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CC(=O)CSc1nc2c(cc1C#N)CCCCC2
BondNum,"There is a molecule consisting of 12 single bonds, 6 double bonds, 1 rotatable bond, and 10 aromatic bonds.",CC1=C(C)C2C=CC(=NC(=O)c3ccc4nc[nH]c4c3)C=C2NC1=O
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 3 amine groups, and 1 sulfone group.",CCNC(NCCn1cnnc1CC)=[NH+]Cc1ccccc1S(=O)(=O)N(C)C
AddComponent,Add a benzene ring to the molecule FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=C2CCC(C2)C1.,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=C2CCC(C2)C1c1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(-c3ccc(Cl)cc3)n2)n[nH]1 with a nitro.,Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(-c3ccc(NO)cc3)n2)n[nH]1
DelComponent,Modify the molecule hydroxyl by removing a OC1OC(CCl)C(Cl)C(O)C1O.,OC1CC(Cl)C(CCl)OC1O
LogP,Please modify the molecule Cc1cc(C#N)c(C#N)cc1Br to increase its LogP value.,Cc1cc(S)c(C#N)cc1Br
MR,Please optimize the molecule Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)cc1 to have a higher MR value.,Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cc(Cl)cc(-c4ccccc4)c3Cl)CC2)cc1
QED,Please modify the molecule c1ccc2c(NC3CCC[NH2+]C3)csc2c1 to increase its QED value.,O=CCC1CC[NH2+]CC1Nc1csc2ccccc12
AtomNum,"The molecule has 20 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cc1cc(CC([NH3+])C(=O)N2CCC(C3CC[NH2+]CC3)CC2)cc2n[nH]nc12
BondNum,"The molecule is composed of 5 single bonds, 1 double bond, 2 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(NC(=O)c2cnc3nccnc3c2)cc1Br
FunctionalGroup,"Please generate a molecule with 1 amine group, and 1 halo group.",Nc1nccn2c(C3CC([NH+]4CCOCC4)C3)nc(Br)c12
AddComponent,Please add a carboxyl to the molecule [NH3+]CC1=NOC(COc2ccccc2N2CCOCC2)C1.,[NH3+]C(C(=O)O)C1=NOC(COc2ccccc2N2CCOCC2)C1
SubComponent,Substitute a halo in the molecule Cc1cc(C(=O)NCC2(CCl)CCCC2)cc([N+](=O)[O-])c1 with a thiol.,Cc1cc(C(=O)NCC2(CS)CCCC2)cc([N+](=O)[O-])c1
DelComponent,Please remove a CN(Cc1ccncc1Cl)c1cc[nH+]cc1N from the molecule halo.,CN(Cc1ccncc1)c1cc[nH+]cc1N
LogP,Please optimize the molecule CN(Cc1ccc(F)cc1)c1ccc(C[NH3+])nn1 to have a lower LogP value.,CN(Cc1ccc(NO)cc1)c1ccc(C[NH3+])nn1
MR,Modify the molecule CSCCCCCNc1nnc(C[NH2+]C(C)(C)C)o1 to decrease its MR value.,CSCCCCCc1nnc(C[NH2+]C(C)(C)C)o1
QED,Optimize the molecule O=C(Nc1ccccc1-c1ccccc1)c1c[nH]c2ccsc2c1=O to have a lower QED value.,O=C(O)c1cc2[nH]cc(C(=O)Nc3ccccc3-c3ccccc3)c(=O)c2s1
AtomNum,"The molecule consists of 16 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",C=C(CC(OCCCCC)OCCCCC)C(=O)NC
BondNum,"Please generate a molecule with 22 single bonds, 1 double bond, and 4 rotatable bonds.",CC(OC(=O)N(C1CCCO1)C1CCCO1)C1CCCO1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ester group, and 1 amide group.",Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1
AddComponent,Modify the molecule CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(NC(=O)c4ccccc4F)c(C)c3)CC2)c1 by adding a benzene ring.,CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(NC(=O)c4ccccc4F)c(C)c3)CC2c2ccccc2)c1
SubComponent,Substitute a halo in the molecule CC1(C)CC(CCCc2nc(Cl)ncc2F)CC2CCC[NH+]21 with a hydroxyl.,CC1(C)CC(CCCc2nc(O)ncc2F)CC2CCC[NH+]21
DelComponent,Please remove a C=CCC(NS(=O)(=O)CCC)C(=O)[O-] from the molecule amine.,C=CCC(C(=O)[O-])S(=O)(=O)CCC
LogP,Modify the molecule N#Cc1sc(-c2coc3ccccc23)cc1N to increase its LogP value.,Nc1csc(-c2coc3ccccc23)c1
MR,Modify the molecule O=C([O-])CCCCCCCCC(=O)OC(O)C(O)C(O)C(O)C(O)CO to increase its MR value.,NC(O)(C(O)C(O)CO)C(O)C(O)OC(=O)CCCCCCCCC(=O)[O-]
QED,Modify the molecule CCC1CCSC(=NCC(C)[NH+](C)C)N1 to increase its QED value.,CCC1CCSC1=NCC(C)[NH+](C)C
AtomNum,"The molecule is composed of 27 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1cc(N=S(C)(=O)c2ccncc2)cc2ncnc(Nc3ccc(F)cc3OC3COC4CCOC43)c12
BondNum,"The molecule is composed of 70 single bonds, 12 double bonds, 6 triple bonds, 46 rotatable bonds, and 36 aromatic bonds.",[C-]#[N+]C(=Cc1ccc(N(CC)CC)cc1)C(=O)OCC(COCC(COC(=O)C(C#N)=Cc1ccc(N(CC)CC)cc1)(COC(=O)C(C#N)=Cc1ccc(N(CC)CC)cc1)COC(=O)C(C#N)=Cc1ccc(N(CC)CC)cc1)(COC(=O)C(C#N)=Cc1ccc(N(CC)CC)cc1)COC(=O)C(=Cc1ccc(N(CC)CC)cc1)[N+]#[C-]
FunctionalGroup,"Please generate a molecule consisting 2 amide groups, and 1 sulfide group.",Cc1ccc(C(=O)NC2CCN(C(=O)C([NH3+])C(C)C)CC2)s1
AddComponent,Modify the molecule Cc1ccc(-n2nnc(C)c2C(=O)[O-])cc1Br by adding a benzene ring.,Cc1nnn(-c2cc(Br)c(C)c(-c3ccccc3)c2)c1C(=O)[O-]
SubComponent,Substitute a halo in the molecule CCc1[nH+]ccn1-c1cc(Br)ccc1CCl with a nitrile.,CCc1[nH+]ccn1-c1cc(C#N)ccc1CCl
DelComponent,Modify the molecule Cc1ccc(C[NH+]2CCN(c3cccc4[nH]ccc34)CC2)cc1 by removing a benzene ring.,CC[NH+]1CCN(c2cccc3[nH]ccc23)CC1
LogP,Modify the molecule CSCC(C)CNc1cc(=O)nc(C(C)C)[nH]1 to increase its LogP value.,CSCC(C)Cc1cc(=O)nc(C(C)C)[nH]1
MR,Modify the molecule CCNC(=S)c1occc(=S)c1O to have a lower MR value.,CCNC(=S)c1cc(=S)cco1
QED,Optimize the molecule CC1N=P2(Oc3ccccc3)C(N=P(O)(Oc3ccccc3)N=P1(Oc1ccccc1)Oc1ccccc1)C2Oc1ccccc1 to have a lower QED value.,CC1N=P2(Oc3ccccc3)C(N=P(O)(Oc3ccccc3)N=P1(Oc1ccccc1)Oc1ccccc1)C2Oc1ccccc1-c1ccccc1
AtomNum,"The molecule contains 28 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",O=C(C[NH+]1CCC2(CC1)CN(Cc1ccccc1)c1cccnc12)N1CC[NH+](C2CCC2)CC1
BondNum,"The molecule consists of 10 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C([O-])C(O)c1cccc(C(F)(F)F)c1[N+](=O)[O-]
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, 1 amide group, 4 amine groups, and 1 sulfone group.",COc1cc2ccc(S(=O)(=O)NC(CCC[NH+]=C(N)N)C(=O)N(CC(=O)OC(C)(C)C)Cc3ccccc3)cc2cc1OC
AddComponent,Add a benzene ring to the molecule CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCC2(CCOC2)C1.,CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CC2(CCOC2)CC1c1ccccc1
SubComponent,Modify the molecule halo by substituting a CCCCSc1nc2n(n1)C(c1cccc(OCc3ccc(Cl)cc3)c1)C(C(C)=O)=C(C)N2 with a nitrile.,CCCCSc1nc2n(n1)C(c1cccc(OCc3ccc(C#N)cc3)c1)C(C(C)=O)=C(C)N2
DelComponent,Remove a C=CCn1c(=O)c2c(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncnc2n1-c1cccc(CN(C)S(C)(=O)=O)n1 from the molecule amine.,C=CCn1c(=O)c2c(-c3ccc(N4CC[NH+](C)CC4)cc3)ncnc2n1-c1cccc(CN(C)S(C)(=O)=O)n1
LogP,Please modify the molecule COc1cc(N)ccc1C[NH+]1CCC(C)CC1C to decrease its LogP value.,COc1c(C[NH+]2CCC(C)CC2C)ccc(N)c1CC=O
MR,Please modify the molecule [N-]=[N+]=NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)c1ccccc1C(=O)c1ccc(F)cc1F to increase its MR value.,[N-]=[N+]=NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)c1ccccc1C(=O)c1ccc(C(=O)[OH])cc1F
QED,Please modify the molecule NC(=S)c1cc2c(nc1NCCc1ccncc1)CCC2 to increase its QED value.,S=Cc1cc2c(nc1NCCc1ccncc1)CCC2
AtomNum,"There is a molecule consisting of 8 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCc1c[nH]c(=S)c(C#N)c1
BondNum,"Please generate a molecule consisting 11 single bonds, 1 double bond, 6 rotatable bonds, and 22 aromatic bonds.",COc1cc(OC)cc(C(=O)Nc2nc(-c3nnn(-c4ccc(Br)cc4)c3C)ns2)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amine group.",O=c1cc(Nc2ccccc2)c2cc3c(cc2o1)OCO3
AddComponent,Please add a hydroxyl to the molecule CC(=O)N1CC(C)(C)Nc2cnccc21.,CC(=O)N1CC(C)(CO)Nc2cnccc21
SubComponent,Modify the molecule halo by substituting a CC(Cl)(Cl)C(=O)NCc1ncn[nH]1 with a hydroxyl.,CC(O)(Cl)C(=O)NCc1ncn[nH]1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CC[NH+](Cc5ccccc5)CC4)o3)o2)cc1.,COCc1ccc(-c2nc(C#N)c(N3CC[NH+](Cc4ccccc4)CC3)o2)o1
LogP,Modify the molecule COC(=O)C1=C(C(=O)OC)C(=C(c2ccccc2)c2ccccc2)C(C(C)(C)C)S1 to have a lower LogP value.,COC(=O)C1=C(C(=O)OC)C(=Cc2ccccc2)C(C(C)(C)C)S1
MR,Modify the molecule Cc1c(-n2cc(-c3ccccc3)nn2)c(=O)[nH]c2ccccc12 to have a higher MR value.,Cc1c(-n2cc(-c3cccc(C(=O)O)c3)nn2)c(=O)[nH]c2ccccc12
QED,Please optimize the molecule CCCCC([NH3+])P(=O)([O-])C(=S)NCCCSC to have a higher QED value.,CCCCC([NH3+])P(=O)([O-])C(=S)CCCSC
AtomNum,"The molecule consists of 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",O=c1nc[nH]c2c(-c3ccccc3)c(C(F)(F)F)sc12
BondNum,"There is a molecule consisting of 17 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CCC(=O)Oc1cc(C)c(OCc2cc(F)cc3c2OC(C)(C)C3)c(C)c1C
FunctionalGroup,"Please generate a molecule with 1 thioether group, and 1 sulfide group.",C[NH2+]C1(C(=O)[O-])CCCC(Sc2cc(C)cc(C)n2)C1
AddComponent,Modify the molecule C[NH+](CCn1nc(C2CC2)nc1C1CC1)Cc1ccccc1 by adding a amine.,C[NH+](Cc1ccccc1)C(N)Cn1nc(C2CC2)nc1C1CC1
SubComponent,Please substitute a halo in the molecule Cc1c(C(=O)N2CCCC2c2nnc3ccccn23)cnn1-c1cccc(Cl)c1 with a carboxyl.,Cc1c(C(=O)N2CCCC2c2nnc3ccccn23)cnn1-c1cccc(C(=O)[OH])c1
DelComponent,Modify the molecule halo by removing a Cc1ccc(C[NH+](C)CC(=O)c2ccc(F)c(F)c2)o1.,Cc1ccc(C[NH+](C)CC(=O)c2ccc(F)cc2)o1
LogP,Please optimize the molecule Nc1ccsc1C(=O)Oc1ccc(Cl)cc1 to have a lower LogP value.,Nc1ccsc1C(=O)Oc1ccccc1
MR,Modify the molecule CCN(CC)C(=O)C[NH+]1CCCN(C(=O)Cc2ccc(NC(C)=O)cc2)CC1 to have a higher MR value.,CCN(CCc1ccccc1)C(=O)C[NH+]1CCCN(C(=O)Cc2ccc(NC(C)=O)cc2)CC1
QED,Optimize the molecule Cc1nc(SCc2ccc(Cl)cc2Cl)c(C#N)c2c1CCCC2 to have a higher QED value.,Cc1nc(SCc2ccc(C#N)cc2Cl)c(C#N)c2c1CCCC2
AtomNum,"There is a molecule consisting of 23 carbon atoms, and 2 nitrogen atoms.",c1ccc(CCn2c[n+](CCc3ccccc3)c3ccccc32)cc1
BondNum,"Please generate a molecule with 9 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCOCOc1cc(Br)ccc1C(C)[NH3+]
FunctionalGroup,"The molecule is composed of 1 ketone group, and 2 amide groups.",CCC(C)C(NC(=O)CC(=O)C(CC1CCCCC1)NC(=O)OC(C)(C)C)C(N)=O
AddComponent,Add a hydroxyl to the molecule CC(=O)CC(C)[NH+]1CCCC1CCCO.,CC(=O)CC(C)[NH+]1CC(O)CC1CCCO
SubComponent,Substitute a COc1cc(O)c(-c2ccccc2C[NH+]2CCC(C)CC2)cc1C(C)C in the molecule hydroxyl with a thiol.,COc1cc(S)c(-c2ccccc2C[NH+]2CCC(C)CC2)cc1C(C)C
DelComponent,Modify the molecule CC(Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(C)C)[nH]n1 by removing a amide.,CC(C)c1cc([SH](C)c2ccc([N+](=O)[O-])cc2)n[nH]1
LogP,Modify the molecule N#Cc1cccc(C=CC(=O)c2ccc(F)cc2)c1 to have a lower LogP value.,N#Cc1cccc(C=CC(=O)c2ccccc2)c1
MR,Please optimize the molecule Nc1ccc(Cn2ccc(=O)[nH]c2=O)cn1 to have a higher MR value.,Nc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cn1
QED,Modify the molecule Cc1nc2ccc(CNC(=O)c3ccc(F)c(F)c3)cc2[nH]1 to decrease its QED value.,Cc1nc2cc(N)c(CNC(=O)c3ccc(F)c(F)c3)cc2[nH]1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",C=C(C)CCOc1nc(C(C)C)nc(Cl)c1C
BondNum,"Please generate a molecule consisting 21 single bonds, 1 double bond, 6 rotatable bonds, and 17 aromatic bonds.",O=C(C1CCN(c2ccc3cccc(O)c3n2)CC1)N1CCC[NH+](CCCc2ccccc2)CC1
FunctionalGroup,The molecule is composed of and 1 ester group.,CCN=C1CCc2c(C(=O)OCC)nn(CC)c2C1
AddComponent,Please add a hydroxyl to the molecule CC(C)(C)OC(=O)N1CCN(c2ccc(OCCC[NH+]3CCCCC3)cc2C(F)(F)F)CC1.,CC(C)(CO)OC(=O)N1CCN(c2ccc(OCCC[NH+]3CCCCC3)cc2C(F)(F)F)CC1
SubComponent,Please substitute a CC1(C(Cl)Cc2ccc3ccccc3c2)CCCCC1 in the molecule halo with a hydroxyl.,CC1(C(O)Cc2ccc3ccccc3c2)CCCCC1
DelComponent,Modify the molecule benzene ring by removing a Clc1ccc(Cc2ccc(N3CC[NH2+]CC3)cc2)cc1.,ClCc1ccc(N2CC[NH2+]CC2)cc1
LogP,Please optimize the molecule CC(C)c1cccc(OCCNC(=O)Nc2ccccc2C(F)(F)F)c1 to have a lower LogP value.,CC(C)c1cccc(OCCNC(=O)Nc2c(N)cccc2C(F)(F)F)c1
MR,Optimize the molecule COCC(C)Oc1ccc(Cl)cc1NC(=O)C1CCCC(C(=O)[O-])C1 to have a higher MR value.,COCC(C)Oc1ccc(C(=O)[OH])cc1NC(=O)C1CCCC(C(=O)[O-])C1
QED,Please optimize the molecule C=C(C)C([NH2+]C(CO)(CO)CO)c1ccccc1 to have a lower QED value.,C=C(C)C([NH2+]C(CO)(CO)CO)c1ccccc1O
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cn1cc(C(=O)CC2CCCN2C(=O)CC2CCCCC2(C)C)cn1
BondNum,"The molecule has 16 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 18 aromatic bonds.",C#Cc1ccc(-c2ncc3c(n2)CC[NH+](CCc2ccc4c(c2C)COC4=O)C3)c(F)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 halo group, and 1 sulfide group.",Cc1cc2nc(-c3ccnc(-c4cnc5ncn(C)c5c4)c3)sc2c(-c2ccc(Cl)cc2)c1CC(=O)[O-]
AddComponent,Please add a hydroxyl to the molecule C=C(C)C1CCC2(CNC(=O)C3CC(=O)NC(=O)C3)CCC3(C)C(CCC4C5(C)CC=C(c6ccc(C(=O)[O-])cc6)C(C)(C)C5CCC43C)C12.,C=C(C)C1(O)CCC2(CNC(=O)C3CC(=O)NC(=O)C3)CCC3(C)C(CCC4C5(C)CC=C(c6ccc(C(=O)[O-])cc6)C(C)(C)C5CCC43C)C21
SubComponent,Substitute a halo in the molecule CCOC(=O)c1c(C)oc2ncn(Cc3ccccc3OC(F)F)c(=O)c12 with a nitro.,CCOC(=O)c1c(C)oc2ncn(Cc3ccccc3OC(F)NO)c(=O)c12
DelComponent,Remove a N#Cc1c(C(=O)N2CCC(n3c([O-])coc3=O)CC2)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12 from the molecule halo.,N#Cc1c(C(=O)N2CCC(n3c([O-])coc3=O)CC2)nc2c(C(F)F)cc(-c3ccoc3)cn12
LogP,Optimize the molecule COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(=C3CC3)CC2)c1 to have a lower LogP value.,COC(=O)c1cc(O)c(OC)c(S(=O)(=O)N2CCC(=C3CC3)CC2)c1
MR,Optimize the molecule Cc1csc(C(C)CNC(=O)C[NH+]2CCN(C)C(=O)C2)n1 to have a lower MR value.,Cc1csc(C(C)C[NH+]2CCN(C)C(=O)C2)n1
QED,Please optimize the molecule O=C(COc1ccc2ccccc2c1Br)Nc1ccc2ccccc2c1 to have a higher QED value.,O=C(COc1ccc2ccccc2c1S)Nc1ccc2ccccc2c1
AtomNum,"The molecule is composed of 24 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",O=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)NCCS(=O)(=O)c1ccccc1
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC1CCCCC1NC(=O)CSc1c(N)cccc1Cl
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amide groups, and 1 halo group.",Cc1noc(C(C)C)c1C(=O)NCC(Cc1ccc(F)cc1)C(N)=O
AddComponent,Please add a hydroxyl to the molecule CCCCOC(CNC(C)=O)OC1COC(C)(C)OC1COC(C)CC(=O)OC.,CCCC(O)OC(CNC(C)=O)OC1COC(C)(C)OC1COC(C)CC(=O)OC
SubComponent,Please substitute a halo in the molecule Cc1nnc(NC(=O)CN2CCCc3c(F)ccc(C)c32)s1 with a aldehyde.,CC(=O)c1ccc(C)c2c1CCCN2CC(=O)Nc1nnc(C)s1
DelComponent,Please remove a hydroxyl from the molecule Cc1cccc(C(=O)[O-])c1NC(=O)c1cccc(O)c1C.,Cc1ccccc1C(=O)Nc1c(C)cccc1C(=O)[O-]
LogP,Please optimize the molecule COc1cc(CNc2ccc(Br)c(C)c2)cc2c1OCO2 to have a lower LogP value.,COc1cc(C(O)Nc2ccc(Br)c(C)c2)cc2c1OCO2
MR,Please optimize the molecule COC(=O)C([NH2+]C1CCCCC1)c1ccc(Cl)cc1Cl to have a lower MR value.,COC(=O)C([NH2+]C1CCCCC1)c1ccc(Cl)cc1
QED,Modify the molecule CC(C)CC(NC(=O)C(CCCC[NH3+])NC(=O)C(CO)NC(=O)C([NH3+])Cc1ccc(O)cc1)C(=O)[O-] to have a higher QED value.,CC(C)CC(NC(=O)C(CCCC[NH3+])NC(=O)C(CO)NC(=O)C([NH3+])Cc1ccccc1)C(=O)[O-]
AtomNum,"The molecule has 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",COc1cc(Nc2ccccc2C#N)ccc1Cl
BondNum,"The molecule consists of 17 single bonds, 3 double bonds, and 5 rotatable bonds.",CS(=O)(=O)NCCC[NH+]=C1NC2(CCCCC2)CS1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 2 halo groups.",CC(CCCCC1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)[O-]
AddComponent,Please add a benzene ring to the molecule c1ccc2c(c1)CCN(c1cnnc(NC3CCCCC3)n1)C2.,c1ccc(C2(Nc3nncc(N4CCc5ccccc5C4)n3)CCCCC2)cc1
SubComponent,Substitute a halo in the molecule Cc1cc(C(=O)NCC(Cl)c2ccccc2)sc1Br with a nitro.,Cc1cc(C(=O)NCC(NO)c2ccccc2)sc1Br
DelComponent,Modify the molecule halo by removing a N#Cc1c(Cl)nsc1N1CCCC1CC(O)c1cccs1.,N#Cc1cnsc1N1CCCC1CC(O)c1cccs1
LogP,Modify the molecule N#CC(=Cc1ccc(Oc2ccc(Br)cc2)cc1)C(N)=O to have a higher LogP value.,NC(=O)C=Cc1ccc(Oc2ccc(Br)cc2)cc1
MR,Modify the molecule CCCCCc1nc2ccccc2cc1O to decrease its MR value.,CCCCCc1nc2ccccc2cc1F
QED,Modify the molecule O=C(C[NH2+]CCF)NC1CC1 to have a lower QED value.,O=C(C[NH2+]CCS)NC1CC1
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",NC(=O)CC1CC[NH2+]C2(CCCC2)C1
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CCC(CCO)CNC(=O)c1cc(N)ccc1N(C)C
FunctionalGroup,"Please generate a molecule with 1 ketone group, 1 amide group, and 1 halo group.",CC1Oc2ccc(C(=O)CBr)cc2N(C)C1=O
AddComponent,Add a aldehyde to the molecule CC(=O)NC(C)c1ccc(-c2cccc3cnccc23)cc1.,CC(=O)NC(C)c1ccc(-c2cccc3cnccc23)cc1CC=O
SubComponent,Substitute a halo in the molecule Cc1ccc2nc(COC(=O)C=Cc3ccc(Cl)cc3)cc(=O)n2c1 with a carboxyl.,Cc1ccc2nc(COC(=O)C=Cc3ccc(C(=O)[OH])cc3)cc(=O)n2c1
DelComponent,Modify the molecule benzene ring by removing a CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1.,CC(C)(C)CCC(=O)Nc1ccccc1C(=O)N1CCOCC1
LogP,Please modify the molecule OCc1ccc2cc(Cc3ncc[nH]3)ccc2c1 to increase its LogP value.,N#CCc1ccc2cc(Cc3ncc[nH]3)ccc2c1
MR,Please modify the molecule CCc1cc2c(SCCOC)nc(NC)nc2s1 to decrease its MR value.,CCc1cc2c(SCCOC)nc(C)nc2s1
QED,Optimize the molecule CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCCCCC)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC to have a lower QED value.,CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCCCCC)COP(=O)([O-])OCC(COP(=O)([O-])OCC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC)NO
AtomNum,"There is a molecule consisting of 16 carbon atoms, 2 nitrogen atoms, 2 chlorine atoms, and 2 bromine atoms.",CC1(CBr)C2CCC1(CBr)c1nc3cc(Cl)c(Cl)cc3nc12
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",O=C1NCC[NH+](Cc2cncs2)C1c1ccccc1C(F)(F)F
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ketone group, and 1 ester group.",CC(ON1C(C)(C)CC(CC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OC(C)c3ccccc3)C(C)(C)C2)CC1(C)C)c1ccccc1
AddComponent,Please add a hydroxyl to the molecule COCc1cc(CNC(=O)N2CCCC(c3ccncn3)C2)[nH]n1.,COCc1cc(CNC(=O)N2CCCC(c3ccnc(O)n3)C2)[nH]n1
SubComponent,Modify the molecule hydroxyl by substituting a CCNC(=NCC1CN2CC[NH+]1CC2)NC1CCC(O)CC1 with a thiol.,CCNC(=NCC1CN2CC[NH+]1CC2)NC1CCC(S)CC1
DelComponent,Please remove a CCCCc1ccc(NCc2ccc(I)o2)cc1 from the molecule amine.,CCCCc1ccc(Cc2ccc(I)o2)cc1
LogP,Please modify the molecule NC(=O)CC1CCN(c2ccc(C[NH3+])cc2Br)CC1 to increase its LogP value.,NC(=O)CC1CCN(c2ccc(C[NH3+])c(S)c2Br)CC1
MR,Modify the molecule CC(=O)OCc1ccc(NC(=O)C([NH3+])c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1 to have a higher MR value.,CC(=O)OCc1ccc(NC(=O)C([NH3+])c2ccc3c(c2)C(C)(C)C(O)CC3(C)C)cc1
QED,Please modify the molecule CC(c1ccccc1)N(Cc1cc(NC(=O)CCCCl)ccc1N(C)C)C(=O)C(C)(C)C to increase its QED value.,CC(c1ccccc1)N(Cc1cc(NC(=O)CCCS)ccc1N(C)C)C(=O)C(C)(C)C
AtomNum,"Please generate a molecule composed of 27 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",CCCCCCN(CCCCCC)S(=O)(=O)c1ccc(S(=O)Cc2cccc(OC)c2)c(C(=O)[O-])c1
BondNum,"Please generate a molecule consisting 16 single bonds, 1 double bond, 6 rotatable bonds, and 18 aromatic bonds.",O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)C1CCN(c2ccc(Cl)cn2)CC1
FunctionalGroup,"There is a molecule with 1 amide group, 1 sulfide group, and 1 sulfone group.",CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1nnc(C)s1)n2CC
AddComponent,Please add a hydroxyl to the molecule NNC(Cc1cccs1)c1cc(Cl)ccc1Cl.,NNC(Cc1ccc(O)s1)c1cc(Cl)ccc1Cl
SubComponent,Substitute a halo in the molecule COc1cc(N2CC[NH+](C(C=O)n3nc(I)c(Cl)c3C)C(C)C2)ccc1Cl with a carboxyl.,COc1cc(N2CC[NH+](C(C=O)n3nc(C(=O)[OH])c(Cl)c3C)C(C)C2)ccc1Cl
DelComponent,Please remove a hydroxyl from the molecule C=C1CC2(CC)C(O)CCC2C2CCC3=CC(=O)CCC3C12.,C=C1CC2(CC)CCCC2C2CCC3=CC(=O)CCC3C12
LogP,Modify the molecule CCc1[nH+]ccn1-c1ccc(C2C(C#N)=C([NH3+])Oc3c2c(-c2ccc(C)cc2)nn3C)cc1 to increase its LogP value.,CCc1[nH+]ccn1-c1ccc(C2C(S)=C([NH3+])Oc3c2c(-c2ccc(C)cc2)nn3C)cc1
MR,Modify the molecule [NH3+]CCc1ccc(N2CCSCC2)cc1C(F)(F)F to have a lower MR value.,[NH3+]CCc1ccc(N2CCSCC2)cc1C(F)F
QED,Modify the molecule CC(C)CSc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccccc1 to increase its QED value.,CC(C)CSc1nc2c(=O)[nH][nH]c(=O)c2n1C
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",Cc1cc(N=CC2C(=O)Nc3cccc(F)c32)ccc1N1CCCC(C(N)=O)C1
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, and 3 rotatable bonds.",CC=CCN1CCCC1C1CCC[NH2+]1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 2 halo groups, and 1 sulfide group.",COCCOc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1F
AddComponent,Modify the molecule C1=CCC2=CNc3ccccc3CC2=C1 by adding a hydroxyl.,OC1C2=CC=CCC2=CNc2ccccc21
SubComponent,Substitute a halo in the molecule CCNc1nc(OC(C)C)nc(Sc2ncccc2Cl)n1 with a thiol.,CCNc1nc(OC(C)C)nc(Sc2ncccc2S)n1
DelComponent,Please remove a NC(=O)CC1CCCCN1C(=O)C1CCCN(C(=O)N2CCCC2)C1 from the molecule amide.,O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCCCC1
LogP,Optimize the molecule CCc1cccc(CC)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 to have a higher LogP value.,CCc1cccc(CC)c1NC(=O)c1ccc(C2CC2)c([N+](=O)[O-])c1
MR,Modify the molecule FN1NCc2c(I)cncc21 to increase its MR value.,O=C([OH])N1NCc2c(I)cncc21
QED,Modify the molecule O=C(Nc1cccc([N+](=O)[O-])c1)C1CC(=O)N(Cc2ccco2)C1 to decrease its QED value.,O=C(N[N+](=O)[O-])C1CC(=O)N(Cc2ccco2)C1
AtomNum,"Please generate a molecule with 10 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 2 sulfur atoms, and 4 fluorine atoms.",NC(=S)c1ccc(OCCSC(F)(F)F)cc1F
BondNum,"There is a molecule consisting of 12 single bonds, 4 double bonds, 8 rotatable bonds, and 11 aromatic bonds.",C=CCNC(=O)C(=Cc1cccs1)NC(=O)c1ccc(OC)c(OC)c1
FunctionalGroup,"The molecule contains 3 benzene ring groups, and 1 amine group.",COc1ccc(-c2c(Nc3cncnc3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
AddComponent,Modify the molecule CCOc1cc2c(cc1NC(=O)Cc1cccc(N)c1)OC(C)C2 by adding a hydroxyl.,CCOc1cc2c(cc1NC(=O)Cc1cc(N)cc(O)c1)OC(C)C2
SubComponent,Modify the molecule hydroxyl by substituting a C[NH2+]C1OC(CO)C(O)C1O with a nitro.,C[NH2+]C1OC(CNO)C(O)C1O
DelComponent,Modify the molecule halo by removing a C[NH2+]C(c1ccccc1Br)C1CCCS(=O)(=O)C1.,C[NH2+]C(c1ccccc1)C1CCCS(=O)(=O)C1
LogP,Please optimize the molecule CC(O)(CNC(=O)Nc1ccc(Cl)cc1)c1cc2ccccc2s1 to have a lower LogP value.,CC(O)(CNC(=O)NCl)c1cc2ccccc2s1
MR,Please modify the molecule CN1C(=O)N(c2c(F)cc(C#Cc3cccnc3)cc2F)C(=O)CC1(C)c1cccc(Cl)c1 to increase its MR value.,CN1C(=O)N(c2c(F)cc(C#Cc3cccnc3)cc2C(=O)[OH])C(=O)CC1(C)c1cccc(Cl)c1
QED,Optimize the molecule CC1C([Si](C)(C)F)C(CCO)OC12C(=O)N(c1ccccc1)c1ccc(N3N=C(c4ccccc4)CCC3=O)cc12 to have a lower QED value.,CC1C([Si](C)(C)S)C(CCO)OC12C(=O)N(c1ccccc1)c1ccc(N3N=C(c4ccccc4)CCC3=O)cc12
AtomNum,"There is a molecule composed of 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 chlorine atoms.",CC1CC[NH+](Cc2c(Cl)cccc2Cl)CC1O
BondNum,"Please generate a molecule consisting 14 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 2 halo groups.",Cc1ccc(-c2[nH]c(CNC(=O)C=Cc3ccc(Cl)c(Cl)c3)cc3c4ccccc4nc2-3)cc1
AddComponent,Please add a nitrile to the molecule Nc1nc(N2CCN(C(=O)c3cn[nH]n3)CC(O)C2)c2[nH]cnc2n1.,N#Cc1n[nH]nc1C(=O)N1CCN(c2nc(N)nc3nc[nH]c23)CC(O)C1
SubComponent,Modify the molecule nitro by substituting a O=C(Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1)C1CCC[NH2+]1 with a halo.,O=Ic1cccc(-c2cccc(NC(=O)C3CCC[NH2+]3)c2)c1
DelComponent,Modify the molecule hydroxyl by removing a Cc1nn(-c2ccnc3c2C=CC3)cc1C1CCCC(O)C1.,Cc1nn(-c2ccnc3c2C=CC3)cc1C1CCCCC1
LogP,Optimize the molecule CC[NH+](CC)CC#CC(C)OC(=O)c1cnn(Cc2ccccc2)c1 to have a lower LogP value.,CC[NH+](CC)CC#CC(C)OC(=O)c1cnn(C)c1
MR,Please modify the molecule CC(C)NC(=O)N1CCCN(S(=O)(=O)Cc2ccccc2Cl)CC1 to increase its MR value.,CC(C)NC(=O)N1CCN(S(=O)(=O)Cc2ccccc2Cl)CC(c2ccccc2)C1
QED,Please modify the molecule C=C(N)C(=CC)[NH2+]C(C)(C)C to decrease its QED value.,C=CC(=CC)[NH2+]C(C)(C)C
AtomNum,"The molecule consists of 21 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",CC1(C)SC2C(Br)C(=O)N2C1(C(=O)[O-])C(c1ccccc1)c1ccccc1
BondNum,"The molecule has 22 single bonds, 1 double bond, 6 rotatable bonds, and 22 aromatic bonds.",C[NH+]1CCN(c2ccc(-c3cnn4c(N)c(-c5ccc(NC(=O)NCC6CCCCC6)cc5)cnc34)cc2)CC1
FunctionalGroup,There is a molecule with and 1 benzene ring group.,COc1cccc(OCc2nc(CC(=O)[O-])c(C)[nH]2)c1
AddComponent,Please add a benzene ring to the molecule O[O+]1C2CCCC(Br)C1CC2.,O[O+]1C2CCC1C(Br)CC(c1ccccc1)C2
SubComponent,Please substitute a halo in the molecule COC(=O)c1cc(C(F)(F)F)cnc1N1CC(Oc2cccc(C(F)(F)F)n2)C1 with a hydroxyl.,COC(=O)c1cc(C(O)(F)F)cnc1N1CC(Oc2cccc(C(F)(F)F)n2)C1
DelComponent,Remove a hydroxyl from the molecule C[NH+](C)CC1CC(O)CN1CCC(=O)OC(C)(C)C.,C[NH+](C)CC1CCCN1CCC(=O)OC(C)(C)C
LogP,Modify the molecule COc1cccc(C(=O)Cc2cccc(Br)c2)c1OC to decrease its LogP value.,COc1cccc(C(=O)C(O)c2cccc(Br)c2)c1OC
MR,Please optimize the molecule C[NH+]=C(N)NCCn1cccn1 to have a lower MR value.,C[NH+]=CNCCn1cccn1
QED,Please optimize the molecule NNC(=O)c1ccccc1NCC(O)C(O)C(O)CO to have a lower QED value.,NNC(=O)c1ccccc1NCC(C(=O)[OH])C(O)C(O)CO
AtomNum,"Please generate a molecule composed of 12 carbon atoms, and 2 nitrogen atoms.",CC(C)[NH+]=CN1CCc2ccccc21
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=[N+]([O-])c1cc(C=NOCc2ccccc2Cl)ccc1N1CCOCC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, 1 sulfide group, and 1 sulfone group.",CC[NH+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccs1
AddComponent,Please add a hydroxyl to the molecule COC(C=O)[NH+]1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.,COC(C=O)[NH+]1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3O)c2C1
SubComponent,Modify the molecule O=S(=O)(Cl)NC12CC3CC(CC(C3)C1)C2 by substituting a halo with a thiol.,O=S(=O)(S)NC12CC3CC(CC(C3)C1)C2
DelComponent,Modify the molecule amine by removing a Cc1ccsc1C(NN)c1ccncc1Cl.,Cc1ccsc1C(N)c1ccncc1Cl
LogP,Modify the molecule Oc1ccc(CNc2cc(Br)ccc2Br)nc1 to increase its LogP value.,Oc1ccc(CNc2cc(Br)cc(-c3ccccc3)c2Br)nc1
MR,Please modify the molecule CC(=O)c1cc(F)cc(C2CCCCC2)c1 to increase its MR value.,CC(=O)c1cc(C#N)cc(C2CCCCC2)c1
QED,Please optimize the molecule CCC(C)C(CO)[NH2+]CC1CCOC1 to have a higher QED value.,CCC(C)C(CS)[NH2+]CC1CCOC1
AtomNum,"The molecule contains 22 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 2 bromine atoms.",COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",CC(C)c1ccc(NC(=S)NNC(=O)c2csc3c2CCCC3)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",CCCC(=O)N(CCC(=O)[O-])c1cccc(Cl)c1
AddComponent,Please add a benzene ring to the molecule CC(CNS(=O)(=O)c1ccc(C[NH3+])cc1)[NH+](C)C1CC1.,CC(CNS(=O)(=O)c1ccc(C([NH3+])c2ccccc2)cc1)[NH+](C)C1CC1
SubComponent,Substitute a halo in the molecule Cc1cc(C[NH2+]CCOC(C)C)sc1Br with a thiol.,Cc1cc(C[NH2+]CCOC(C)C)sc1S
DelComponent,Please remove a amide from the molecule CC1c2ccsc2CCN1C(=O)C(=O)[O-].,CC1(O[O-])CCc2sccc21
LogP,Modify the molecule CCC(COC)Nc1cccc(N2CCS(=O)(=O)CC2)c1 to have a lower LogP value.,CCC(COC)Nc1cccc(N2CCS(=O)(=O)CC2O)c1
MR,Modify the molecule CC[NH+](CC)CCN1C(=O)CSC1=S to have a higher MR value.,CC[NH+](CC)CC(C(=O)O)N1C(=O)CSC1=S
QED,Please modify the molecule CC(C)(C)c1noc(C[NH+]2CCNC(=O)CC2)n1 to increase its QED value.,CC(C)(C)c1noc(C[NH+]2CCC2)n1
AtomNum,"There is a molecule with 18 carbon atoms, 4 oxygen atoms, and 1 sulfur atom.",O=C1Cc2ccc(C3=CCCO3)cc2Sc2cc(O)cc([O-])c21
BondNum,"The molecule contains 19 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CCC1c1ccccc1
FunctionalGroup,The molecule contains and 1 benzene ring group.,Cc1ccc(-n2nnc3c(C(=O)[O-])cccc32)cc1C
AddComponent,Please add a hydroxyl to the molecule CC1CCC(C)C([NH3+])(Cc2ccn(C3CCCCC3)n2)C1.,CC1CCC(C)C([NH3+])(Cc2cc(O)n(C3CCCCC3)n2)C1
SubComponent,Substitute a Cc1cccc(COc2ccc(C=Nn3c(-c4cc5ccccc5o4)nc4ccccc4c3=O)cc2I)c1 in the molecule halo with a nitrile.,Cc1cccc(COc2ccc(C=Nn3c(-c4cc5ccccc5o4)nc4ccccc4c3=O)cc2C#N)c1
DelComponent,Remove a benzene ring from the molecule O=C(C=Cc1nc2ccccc2o1)OCC(=O)N1CCC(Cc2ccccc2)CC1.,CC1CCN(C(=O)COC(=O)C=Cc2nc3ccccc3o2)CC1
LogP,Modify the molecule CC1(Nc2cnn(CC3CC3)c(=O)c2Br)CC[NH2+]C1 to decrease its LogP value.,CC1(Nc2cnn(CC3CC3)c(=O)c2Br)CC[NH2+]C1O
MR,Please optimize the molecule CC(C)(C)C(=O)NCCOc1ccc2c(c1)CCC2 to have a higher MR value.,CC(C)(CS)C(=O)NCCOc1ccc2c(c1)CCC2
QED,Optimize the molecule COc1cccc(C2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C(=O)OCC(C)C)cc2)c1OC to have a higher QED value.,COc1cccc(C2C(F)=C(O)C(=O)N2c2ccc(C(=O)OCC(C)C)cc2)c1OC
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2C1c1ccc(OC)cc1
BondNum,"There is a molecule with 21 single bonds, 1 double bond, 6 rotatable bonds, and 16 aromatic bonds.",ONC(=[NH+]c1ccc(F)c(Cl)c1)c1cc(F)c(F)c2nc(NCCN3CCCC3C(F)(F)F)[nH]c12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 1 amine group.",CC(C)CNC(=O)c1ccnc(Nc2ccccc2)c1
AddComponent,Please add a aldehyde to the molecule c1ccc(Oc2cc(OCC3CO3)ccc2OCC2CO2)cc1.,O=CCC1(COc2ccc(OCC3CO3)cc2Oc2ccccc2)CO1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)CC(C)(O)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 with a halo.,CC(C)CC(C)(F)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
DelComponent,Please remove a hydroxyl from the molecule CNc1nc(NC2CC(O)C2(C)C)nc(-n2cncn2)n1.,CNc1nc(NC2CCC2(C)C)nc(-n2cncn2)n1
LogP,Modify the molecule NC(=[NH+]c1ccc(S(=O)(=O)[O-])cc1)[NH+]=C(N)N1CCCCC1 to have a higher LogP value.,NC([NH+]=CN1CCCCC1)=[NH+]c1ccc(S(=O)(=O)[O-])cc1
MR,Please modify the molecule CCS(=O)(=O)CCNC(NCC[NH+]1CCCCC1)=[NH+]C to decrease its MR value.,CCS(=O)(=O)CCNC(CC[NH+]1CCCCC1)=[NH+]C
QED,Please modify the molecule COC(=O)C(NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 to decrease its QED value.,COC(=O)C(Br)NC(=O)c1ccc(N2CCOCC2)cc1
AtomNum,"The molecule is composed of 15 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCC(C)N(CCOC)C(=O)c1sccc1C#CCO
BondNum,"Please generate a molecule consisting 7 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(C(NN)c2cccc(Br)c2C)s1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, 1 amine group, and 1 sulfone group.",CCNC(=O)c1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1OC
AddComponent,Add a hydroxyl to the molecule O=C([O-])N1CC[NH+](Cc2cccc(-c3ccnc(NC4CCCCC4)c3)n2)CC1.,O=C([O-])N1CC[NH+](Cc2cc(O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CC1
SubComponent,Please substitute a halo in the molecule CS(=O)(=O)c1ccc2oc(Cl)nc2c1 with a carboxyl.,CS(=O)(=O)c1ccc2oc(C(=O)[OH])nc2c1
DelComponent,Please remove a benzene ring from the molecule CCC(Oc1ccccc1)(Oc1ccccc1)[Si]CC[Si]C(CC)(Oc1ccccc1)Oc1ccccc1.,CCC(O)(Oc1ccccc1)[Si]CC[Si]C(CC)(Oc1ccccc1)Oc1ccccc1
LogP,Please optimize the molecule CC(Oc1ccc(Cl)cc1Br)C(=O)N1CCN(C(C#N)C(C)C)CC1 to have a higher LogP value.,CC(Oc1ccc(Cl)cc1Br)C(=O)N1CCN(C(S)C(C)C)CC1
MR,Optimize the molecule Cc1c(OCC(=O)NCc2ccccc2)c(O)cc[n+]1C to have a lower MR value.,Cc1c(OCc2ccccc2)c(O)cc[n+]1C
QED,Please optimize the molecule N#Cc1ccc(SCc2cccc(OC(F)F)c2)cc1 to have a higher QED value.,N#Cc1ccc(SCc2cccc(OC(F)F)c2)cc1O
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(F)c(F)c1F
BondNum,"The molecule has 17 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",Cc1ccc(N2CCN(C(=O)N3CCOCC3)CC2)c(C)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 amine groups, and 2 halo groups.",COCC(C)CC(NN)c1ccc(Cl)c(Cl)c1
AddComponent,Modify the molecule CC(C)NC(=O)CNC(=O)COC(=O)CC1CC2CCC1C2 by adding a hydroxyl.,CC(C)NC(=O)CNC(=O)C(O)OC(=O)CC1CC2CCC1C2
SubComponent,Modify the molecule halo by substituting a C[NH2+]C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 with a carboxyl.,C[NH2+]C1CCN(C(=O)C2(c3ccc(C(=O)[OH])cc3)CC2)CC1
DelComponent,Remove a CC[NH+](CC)C1CCc2cccc(CCCCOCCCc3cccc(F)c3)c2C1 from the molecule benzene ring.,CC[NH+](CC)C1CCc2cccc(CCCCOCCCF)c2C1
LogP,Modify the molecule CC[Hg]OC(=O)CS to have a higher LogP value.,CC[Hg]OC(=O)C(S)c1ccccc1
MR,Please optimize the molecule CCc1cccc(OCC(O)C[NH2+]C2CCC(C)CC2)c1 to have a lower MR value.,CCOCC(O)C[NH2+]C1CCC(C)CC1
QED,Modify the molecule CC[NH+](CC)C1CCN(CC2(CBr)CCCCC2)C1 to increase its QED value.,CC[NH+](CC)C1CCN(CC2(C)CCCCC2)C1
AtomNum,"The molecule has 21 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC(C)Oc1ccc(S(=O)(=O)N2CC(O)CC2(C)Cc2ccccc2)cc1
BondNum,"The molecule consists of 13 single bonds, 4 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 2 amide groups, and 2 halo groups.",CC(=O)N1CC[NH+](CCOc2ccc(-c3ncc4c(n3)N(Cc3ccc(Cl)cc3F)CC(=O)N4C)cc2)CC1
AddComponent,Please add a hydroxyl to the molecule CS(=O)(=O)c1nc(N2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.,CS(=O)(=O)c1nc(N2CCCC2)nc(-c2ccc(Cl)c(O)c2Cl)c1-c1ccc(Cl)cc1
SubComponent,Please substitute a Cc1cc(C(=O)N2CCOCC2)nc(Nc2ccc(Cl)cc2C)n1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(Nc2nc(C)cc(C(=O)N3CCOCC3)n2)c(C)c1
DelComponent,Remove a halo from the molecule Cn1nc(C(F)(F)F)cc1-c1nnc(Nc2ccn(Cc3ccccc3)n2)s1.,Cn1nc(C(F)F)cc1-c1nnc(Nc2ccn(Cc3ccccc3)n2)s1
LogP,Modify the molecule COc1cccc(CNCC(F)F)c1OC to decrease its LogP value.,COc1cccc(CNCC(F)F)c1OCO
MR,Modify the molecule COc1ccc(C[NH2+]C(C)C2CCCCC2)cc1[N+](=O)[O-] to have a higher MR value.,COc1ccc(C[NH2+]C(C)(O)C2CCCCC2)cc1[N+](=O)[O-]
QED,Modify the molecule C=CCSOP(=O)(CN(CC(=O)OCCOCC)C(=O)OCc1ccccc1)OSCC=C to have a lower QED value.,C=CCSOP(=O)(CN(CC(=O)OCCOC(C)O)C(=O)OCc1ccccc1)OSCC=C
AtomNum,"There is a molecule with 26 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",CCOc1cccc(C2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc3c(c2)OCO3)c1
BondNum,"There is a molecule consisting of 10 single bonds, 2 double bonds, 6 rotatable bonds, and 22 aromatic bonds.",Cn1c(=O)c2c(ncn2CC[NH+](C)C(c2ccccc2)c2ccc(Cl)cc2)n(C)c1=O
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 thioether group, and 1 sulfide group.",CSc1ccc(C[NH+](C)CCCc2nc(-c3ccccc3)no2)cc1
AddComponent,Please add a amine to the molecule COc1ccc(OCCNC(=O)c2ccc(Nc3ccccc3OC)nc2)cc1.,COc1ccc(OCCNC(=O)c2ccc(Nc3cc(N)ccc3OC)nc2)cc1
SubComponent,Please substitute a nitrile in the molecule COc1ccccc1CC(CNC(=O)C1(C#N)CCCC1)C(=O)[O-] with a hydroxyl.,COc1ccccc1CC(CNC(=O)C1(O)CCCC1)C(=O)[O-]
DelComponent,Remove a benzene ring from the molecule CC1CCCC(NC(=O)c2ccc(CN3CCCC3=O)cc2)C1.,CC1CCCC(NC(=O)CN2CCCC2=O)C1
LogP,Modify the molecule CCOC(=O)c1c[nH+]c2c(c(C)nn2C)c1N1CCCN(c2ccccc2)CC1 to decrease its LogP value.,CCOC(=O)c1c[nH+]c2c(c(C)nn2C)c1N1CCCNCC1
MR,Modify the molecule CCCCCCOc1ccc(C(C#N)=Cc2ccc(OCCCOc3ccc(C=C(C#N)c4ccc(OCCCCCC)cc4)cc3)cc2)cc1 to have a lower MR value.,CCCCCCOc1ccc(C(C#N)=COCCCOc2ccc(C=C(C#N)c3ccc(OCCCCCC)cc3)cc2)cc1
QED,Optimize the molecule CC(NC(=O)C=Cc1c(F)cccc1F)c1nc(-c2ccc(F)cc2)no1 to have a lower QED value.,CC(NC(=O)C=Cc1c(F)cccc1S)c1nc(-c2ccc(F)cc2)no1
AtomNum,"The molecule has 18 carbon atoms, and 3 nitrogen atoms.",CC(C)C1CCCC(C[NH3+])(N(C)CCN2CCCC2)CC1
BondNum,"The molecule consists of 10 single bonds, 3 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc(-c2ccccc2)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, and 1 sulfide group.",Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)[O-])c(CNC(=O)c2cc3c(C)nn(C)c3s2)c1
AddComponent,Please add a benzene ring to the molecule Cc1cc(CC[NH3+])ccc1Sc1ncccc1Br.,Cc1cc(C(C[NH3+])c2ccccc2)ccc1Sc1ncccc1Br
SubComponent,Please substitute a halo in the molecule Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)NCCC(=O)Nc4c(C)cccc4C(=O)NC(C)C)CC3)c2C)cc1F with a nitrile.,Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)NCCC(=O)Nc4c(C)cccc4C(=O)NC(C)C)CC3)c2C)cc1C#N
DelComponent,Modify the molecule CCCOc1ccc(C(=O)CCC(=O)NCCOc2ccccc2OC)cc1 by removing a amide.,CCCOc1ccc(C(=O)CCCOc2ccccc2OC)cc1
LogP,Please modify the molecule Fc1ccccc1NCc1noc(-c2ccccc2)n1 to decrease its LogP value.,O=C([OH])c1ccccc1NCc1noc(-c2ccccc2)n1
MR,Please modify the molecule O=C([O-])CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)cc4C(F)(F)F)o3)cc2)CC1 to decrease its MR value.,O=C([O-])CC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(F)cc4C(F)F)o3)cc2)CC1
QED,Modify the molecule CC[NH2+]C(CSc1ccc(Br)cn1)c1ccc(CC)cc1 to have a lower QED value.,CC[NH2+]C(CSc1ccc(S)cn1)c1ccc(CC)cc1
AtomNum,"There is a molecule with 16 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CC(=O)Nc1cccc(NC(=O)c2ccn3c(C)nnc3c2)c1
BondNum,"The molecule has 9 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CNC(=O)Nc1ccc(OS(=O)(=O)N(C)C)cc1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 1 halo group, and 1 nitrile group.",Cc1cc(C=C(C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1
AddComponent,Add a benzene ring to the molecule CC(C)(C)C(NC(=O)Cn1cnc(-c2ccccc2)n1)c1ccccc1.,CC(C)(C)C(NC(=O)Cn1cnc(-c2ccccc2)n1)c1cccc(-c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a O=C(OCCc1cccs1)c1c([O-])c2ccc(Cl)cc2[nH]c1=O with a nitrile.,N#Cc1ccc2c([O-])c(C(=O)OCCc3cccs3)c(=O)[nH]c2c1
DelComponent,Modify the molecule benzene ring by removing a FC(F)(F)c1cccc(-n2ccc(-c3ccccn3)c2)c1.,FC(F)(F)n1ccc(-c2ccccn2)c1
LogP,Modify the molecule Clc1cncc(NCCc2cccc3cccnc23)n1 to increase its LogP value.,Clc1cncc(CCc2cccc3cccnc23)n1
MR,Optimize the molecule COc1cccc2[nH]cc(Sc3cc(Cl)ccc3CC[NH3+])c12 to have a higher MR value.,COc1cccc2[nH]cc(Sc3cc(S)ccc3CC[NH3+])c12
QED,Optimize the molecule CC1(C2CC2C(=O)Nc2csc3cc(C#N)cnc23)[NH+]=C(N)OCC1(F)F to have a lower QED value.,CC1(C2CC2C(=O)Nc2csc3cc(O)cnc23)[NH+]=C(N)OCC1(F)F
AtomNum,The molecule consists of 130 carbon atoms.,C=CCCC(CCC)C(C(CCCC)C(CCC)(CCCC)C(CCC)(CCCCCCC)C(CC=C)(CCCCCCC)C(C=CC)(CCC)C(CCC)(CCCCCCC)C(CCC)(CCCCCCC)C(CCC)(CCC)C(CCC)(CCCCCCC)C(C)(CC)CCCCCCC)(C(C=CCC)(CCC)CCCCCC)C(CC=CC)(CCC)CCCCCC
BondNum,"The molecule consists of 8 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",COc1ccc(S(=O)(=O)NC(C)c2nn[n-]n2)cc1F
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, 1 thioether group, and 1 sulfide group.",Cc1cc(CSc2ccccc2C(=O)NC(C)C2CC2)on1
AddComponent,Add a benzene ring to the molecule CCOc1ccn(-c2ccccc2F)c(=O)c1C(=O)[O-].,CCOc1ccn(-c2cccc(-c3ccccc3)c2F)c(=O)c1C(=O)[O-]
SubComponent,Substitute a Fc1ccccc1-c1nnc(SCc2nnc(C3CC3)o2)n1C1CC1 in the molecule halo with a thiol.,Sc1ccccc1-c1nnc(SCc2nnc(C3CC3)o2)n1C1CC1
DelComponent,Remove a benzene ring from the molecule C=C(C)C1CCC2(C(=O)OCc3ccccc3)CCC3(C)C(CCC4C5(C)CC=C(c6ccc(C)cc6)C(C)(C)C5CCC43C)C12.,C=C(C)C1CCC2(C(=O)OCc3ccccc3)CCC3(C)C(CCC4C5(C)CC=C(C)C(C)(C)C5CCC43C)C12
LogP,Modify the molecule CCc1cc2scc(CBr)c2cc1F to decrease its LogP value.,CCc1ccc2c(CBr)csc2c1
MR,Please optimize the molecule CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)cc1 to have a lower MR value.,CC(C)c1ccc(OCc2nnc(Sc3cccc(Cl)c3Cl)n2C)cc1
QED,Please modify the molecule CS(=O)(=O)NCCNc1ccc(F)cc1C(N)=S to increase its QED value.,CS(=O)(=O)CCNc1ccc(F)cc1C(N)=S
AtomNum,"The molecule has 19 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1ccc(C2CC[NH+](Cc3ccccc3)CC2O)cc1
BondNum,"The molecule consists of 19 single bonds, 5 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(S(=O)(=O)N(C)CC(=O)OC(C)C(=O)NCCC2=CCCCC2)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 2 amine groups, and 2 halo groups.",Cc1ccc(-c2c(C)c(C3=NNNC3)nn2-c2ccc(Cl)cc2Cl)cc1
AddComponent,Add a aldehyde to the molecule COC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C1CCCCC1.,CC(C)(C)OC(=O)CC(NC(=O)C1CCCCC1)C(=O)OCCC=O
SubComponent,Substitute a halo in the molecule CCC1CCN(C(=O)c2cccc(CCl)c2)CC1 with a thiol.,CCC1CCN(C(=O)c2cccc(CS)c2)CC1
DelComponent,Modify the molecule hydroxyl by removing a CCc1cc(C(=O)N2CC(CO)CCC2C)sc1C.,CCc1cc(C(=O)N2CC(C)CCC2C)sc1C
LogP,Please modify the molecule CCC(C)NC(=O)COC(=O)C=Cc1ccc(Cl)c(Cl)c1 to decrease its LogP value.,CCC(C)NC(=O)COC(=O)C=Cc1ccc(S)c(Cl)c1
MR,Please optimize the molecule [C-]#[N+]c1c(F)ccc2c1CCOC2C[NH+]1CCN(C(=O)Cc2ccc(-n3cnnn3)cn2)CC1 to have a higher MR value.,[C-]#[N+]c1c(NO)ccc2c1CCOC2C[NH+]1CCN(C(=O)Cc2ccc(-n3cnnn3)cn2)CC1
QED,Please optimize the molecule CCCn1nc(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2c1=O to have a lower QED value.,CCCn1nc(C(=O)OCC(=O)N(Cc2ccccc2)Cc2cccc(-c3ccccc3)c2)c2ccccc2c1=O
AtomNum,"The molecule has 14 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CS(=O)(=O)NC1CC[NH+](CCOc2ccccc2)CC1
BondNum,"There is a molecule with 7 single bonds, 1 double bond, 6 rotatable bonds, and 22 aromatic bonds.",O=C(Nc1nncs1)c1ccc(NCc2cccc(-n3cccn3)c2)nc1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 2 amide groups, 1 nitro group, and 5 halo groups.",COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
AddComponent,Please add a hydroxyl to the molecule O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1cc(F)ccc1N1CCCCC1.,O=C(CN1C(=O)COc2cc(Br)cc(O)c21)Nc1cc(F)ccc1N1CCCCC1
SubComponent,Substitute a FC(F)(F)c1cc(-c2csc(=S)[nH]2)cc(C(F)(F)F)c1 in the molecule halo with a aldehyde.,CC(=O)C(F)(F)c1cc(-c2csc(=S)[nH]2)cc(C(F)(F)F)c1
DelComponent,Modify the molecule CC[NH2+]C(c1c[nH+]ccc1N)C1CCCOC1 by removing a amine.,CC[NH2+]C(c1ccc[nH+]c1)C1CCCOC1
LogP,Modify the molecule COC(=O)C1(C)C=C2C3=CC(=O)C4C5(C)C=C(C#N)C(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1 to increase its LogP value.,COC(=O)C1(C)C=C2C3=CC(=O)C4C5(C)C=CC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1
MR,Please modify the molecule CS(=O)(=O)N1CCC(C2C[NH+](CCC3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 to increase its MR value.,CS(=O)(=O)N1CCC(C2C[NH+](CCC3(c4ccc(S)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1
QED,Please optimize the molecule Cc1cccc(C(=O)C(C#N)c2ccccc2)c1F to have a higher QED value.,CC(=O)c1c(C)cccc1C(=O)C(C#N)c1ccccc1
AtomNum,"There is a molecule with 22 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",Cn1cccc1C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F
BondNum,"The molecule consists of 22 single bonds, 9 rotatable bonds, and 17 aromatic bonds.",CC(C)(C)c1cccc(C2([NH2+]CC(O)C(Cc3cc(F)cc(F)c3)Nc3nncs3)CCCCC2)c1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 2 amide groups, and 2 halo groups.",COc1ccccc1C(=O)Nc1cccc(CN(C(=O)c2cc(F)cc(F)c2)C2CCCCC2[NH3+])c1
AddComponent,Modify the molecule CCCCCCCCS(=O)(=O)CCN by adding a aldehyde.,CCCCCCCC(CC=O)S(=O)(=O)CCN
SubComponent,Modify the molecule halo by substituting a CC(C)(C(=O)c1c(F)ccc(Br)c1F)c1ccccc1 with a thiol.,CC(C)(C(=O)c1c(S)ccc(Br)c1F)c1ccccc1
DelComponent,Remove a CCCn1cc(Br)cc1C(=O)NC(C)c1cccc(Cl)c1 from the molecule benzene ring.,CCCn1cc(Br)cc1C(=O)NC(C)Cl
LogP,Please optimize the molecule CC([NH3+])c1ccc(SCc2cccnc2C#N)cc1 to have a higher LogP value.,CC(=O)c1ncccc1CSc1ccc(C(C)[NH3+])cc1
MR,Optimize the molecule CNC(=O)N1CCCC1C(=O)NNc1cccc(C#N)c1 to have a lower MR value.,CNC(=O)N1CCCC1C(=O)NNC#N
QED,Modify the molecule CC[NH2+]CCc1nnc(-c2ccn(C)c(=O)c2)o1 to have a lower QED value.,CC[NH2+]CCc1nnc(-c2ccn(Cc3ccccc3)c(=O)c2)o1
AtomNum,"There is a molecule composed of 20 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",CC(C)(C)OC(=O)NCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1
BondNum,"The molecule consists of 10 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC([NH3+])Cc1c(Cl)cccc1OCc1cccc(Cl)c1F
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 2 amide groups.",CCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C([NH2+]C(C)(C)C)C(C)C)cc1
AddComponent,Modify the molecule C=CCCCOC(=O)C1C2CCC3(S2)C1C(=O)N(C(CO)Cc1ccccc1)C3C(=O)N(CC=C)C(C)C by adding a amine.,C=CCCCOC(=O)C1C2CCC3(S2)C1C(=O)N(C(CO)C(N)c1ccccc1)C3C(=O)N(CC=C)C(C)C
SubComponent,Substitute a C=C(CC)CC(NN)c1cccc(F)c1Cl in the molecule halo with a thiol.,C=C(CC)CC(NN)c1cccc(S)c1Cl
DelComponent,Modify the molecule amine by removing a CC1CCc2sc(NC(C)(C)C)nc21.,CC1CCc2sc(C(C)(C)C)nc21
LogP,Optimize the molecule Cc1cccn2cc(CSc3nc4ccccc4c(=O)n3C(C)c3ccccc3)[nH+]c12 to have a lower LogP value.,CCn1c(SCc2cn3cccc(C)c3[nH+]2)nc2ccccc2c1=O
MR,Please optimize the molecule O=C(NCC1c2ccccc2COc2ccc(Br)cc21)Nc1c(F)cc(F)cc1F to have a higher MR value.,O=C(Nc1c(F)cc(F)cc1F)NC(c1ccccc1)C1c2ccccc2COc2ccc(Br)cc21
QED,Please optimize the molecule FC1(c2cc3ccccc3o2)C=NC1 to have a lower QED value.,C1=NCC1c1cc2ccccc2o1
AtomNum,"The molecule consists of 14 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC[NH+]1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)CC1
BondNum,"There is a molecule with 16 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",[NH3+]C1CC2CCCC(C1)C2NC(=O)c1ccc(F)cc1F
FunctionalGroup,"There is a molecule composed of 1 halo group, 1 thioether group, and 2 sulfide groups.",CSc1cc2cc(CCl)sc2cc1C
AddComponent,Please add a hydroxyl to the molecule NC(N)=[NH+]CC(=O)NC1CCCN(c2ccc(CC(NC(=O)C3CCCN3S(=O)(=O)c3ccccc3)C(=O)[O-])cc2)C1=O.,NC(N)=[NH+]C(O)C(=O)NC1CCCN(c2ccc(CC(NC(=O)C3CCCN3S(=O)(=O)c3ccccc3)C(=O)[O-])cc2)C1=O
SubComponent,Substitute a CCc1cccc(OCc2cc(Br)ccc2F)c1 in the molecule halo with a carboxyl.,CCc1cccc(OCc2cc(C(=O)[OH])ccc2F)c1
DelComponent,Please remove a amide from the molecule NC(=O)CCNc1cc[nH+]c(F)c1.,CNc1cc[nH+]c(F)c1
LogP,Please optimize the molecule O=C(CCN1CCC(=O)c2ccccc21)NC1CC1 to have a higher LogP value.,O=C(CCN1CCC(=O)c2ccccc21)NC1CC1c1ccccc1
MR,Modify the molecule CCC([NH2+]C)c1ccc(-c2cccc(C)c2)o1 to have a lower MR value.,CCC([NH2+]C)c1ccc(C)o1
QED,Please optimize the molecule CCC(C)c1ccc(OCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 to have a higher QED value.,CCC(C)c1ccc(OCC(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1
AtomNum,"The molecule has 20 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(C)c(OCC(=O)OCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)c1
BondNum,"The molecule is composed of 13 single bonds, 1 double bond, 6 rotatable bonds, and 16 aromatic bonds.",O=C(CSc1nc2ccccc2[nH]1)NC1CC[NH+](Cc2ccccc2)CC1
FunctionalGroup,"The molecule is composed of 2 amine groups, and 1 sulfide group.",Nc1cc2cn[nH]c2cc1NCc1nccs1
AddComponent,Add a hydroxyl to the molecule Cc1cc(NC(=O)c2cc(Cl)ccn2)ccn1.,Cc1cc(NC(=O)c2cc(Cl)ccn2)c(O)cn1
SubComponent,Substitute a nitrile in the molecule CCCc1cc(-c2ccc(OC)c(F)c2)c(-c2sccc2C)c(C#N)c1Cl with a nitro.,CCCc1cc(-c2ccc(OC)c(F)c2)c(-c2sccc2C)c(NO)c1Cl
DelComponent,Modify the molecule CC1=CC(=O)N(CCOc2cccc(N)c2)C1=O by removing a amine.,CC1=CC(=O)N(CCOc2ccccc2)C1=O
LogP,Modify the molecule O=C(CCNc1cc(C(F)(F)F)ccc1Cl)Nc1cccc(F)c1 to have a lower LogP value.,O=C(CCNc1cc(C(F)(F)F)c(O)cc1Cl)Nc1cccc(F)c1
MR,Please modify the molecule Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(N4CCCC4)noc3c2)cc1 to increase its MR value.,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(NO)ccc2Oc2ccc3c(N4CCCC4)noc3c2)cc1
QED,Please optimize the molecule Cc1ccc(C(=O)NCc2sccc2Br)cc1C to have a higher QED value.,Cc1ccc(C(=O)NCc2sccc2C(=O)[OH])cc1C
AtomNum,"There is a molecule with 7 carbon atoms, and 4 nitrogen atoms.",CN=C(N[NH3+])N1CCCCC1
BondNum,"Please generate a molecule with 12 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",C[NH2+]CCc1cc2c(cc1C(F)(F)F)OCO2
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ketone group, and 1 ester group.",CCOC(=O)C(C)Oc1cc(C)c2c(c1)OC(=Cc1cc(OC)c(OC)cc1OC)C2=O
AddComponent,Please add a hydroxyl to the molecule CSc1nc(C)cc(C(Br)C(C)=O)n1.,CSc1nc(CO)cc(C(Br)C(C)=O)n1
SubComponent,Modify the molecule hydroxyl by substituting a OB(c1ccccc1)c1ccc(-c2ccc(B(O)c3ccccc3)cc2)cc1 with a nitrile.,N#CB(c1ccccc1)c1ccc(-c2ccc(B(O)c3ccccc3)cc2)cc1
DelComponent,Remove a amide from the molecule O=C(COc1ccccc1)Nc1noc(-c2cccs2)n1.,c1ccc(Oc2noc(-c3cccs3)n2)cc1
LogP,Optimize the molecule CC(C)NC(=O)c1ccc(C#CC[NH3+])c(F)c1 to have a lower LogP value.,CC(C)NC(=O)c1ccc(C#CC[NH3+])c(NO)c1
MR,Modify the molecule CC(C)(C)c1nc(Cl)cc(NN)n1 to have a lower MR value.,CC(C)(C)c1nc(C#N)cc(NN)n1
QED,Please optimize the molecule CCC(C)CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C to have a lower QED value.,CCC(C)CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCC(C#N)COP(=O)([O-])OCC(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C
AtomNum,"There is a molecule consisting of 21 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(-c2ccccc2Cl)o1
BondNum,"Please generate a molecule composed of 32 single bonds, 24 rotatable bonds, and 68 aromatic bonds.",CCCCOc1ccc(N(c2ccc(OCCCC)cc2C)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(OCCCC)cc7C)c7ccc(OCCCC)cc7C)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)c(C)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, and 1 nitrile group.",COC(=O)CCCOc1c(C)cc(C#N)cc1C
AddComponent,Modify the molecule CC1=C(Cc2ccccc2)N2C(=O)CCC2C1 by adding a hydroxyl.,CC1=C(Cc2ccccc2)N2C(=O)C(O)CC2C1
SubComponent,Modify the molecule CC(C)C([NH3+])C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(C(=O)[O-])C(C)O by substituting a hydroxyl with a nitro.,CC(C)C([NH3+])C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(C(=O)[O-])C(C)NO
DelComponent,Modify the molecule halo by removing a CN(CC(F)(F)F)C(C[NH3+])C(=O)Nc1ccc(N2CCOCC2=O)c(C(F)F)c1.,CN(CC(F)F)C(C[NH3+])C(=O)Nc1ccc(N2CCOCC2=O)c(C(F)F)c1
LogP,Please modify the molecule O=C(CCc1nc2ncccc2[nH]1)NCC(O)c1ccsc1 to increase its LogP value.,CC(=O)C(CNC(=O)CCc1nc2ncccc2[nH]1)c1ccsc1
MR,Modify the molecule CCOc1cc(C[NH2+]C(CC)CO)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 to increase its MR value.,CCOc1cc(C[NH2+]C(CC)CC(=O)[OH])c(Br)cc1OCc1ccc([N+](=O)[O-])cc1
QED,Optimize the molecule CCC1CCC(C([NH2+]C)c2cc(C)c(OC)cc2C)CC1 to have a lower QED value.,CCC1CCC(C(CC)([NH2+]C)OC)CC1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1cc(C(=O)N2CCCC2C(C)C)sc1C#CCCO
BondNum,"There is a molecule with 9 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",Cc1ccncc1C[NH+]1CCc2c(N)cccc2C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 thioether group, and 1 sulfide group.",CC[NH2+]Cc1ccc(SCCC(C)C)cc1
AddComponent,Please add a benzene ring to the molecule COc1cccc(C[NH2+]C(C)C2CCCCCC2)n1.,COc1cccc(C[NH2+]C(C)C2CCCCC(c3ccccc3)C2)n1
SubComponent,Please substitute a hydroxyl in the molecule CCC[NH2+]C(CC)(CO)CCCSc1ncccn1 with a thiol.,CCC[NH2+]C(CC)(CS)CCCSc1ncccn1
DelComponent,Modify the molecule amine by removing a CC(C=NNC(=S)NCCc1ccccc1)=Cc1ccccc1.,CC(C=NNC(=S)CCc1ccccc1)=Cc1ccccc1
LogP,Please modify the molecule CCC1CCC2CC(OC(=O)c3cc(Sc4ccc(Cl)cc4)c4c(c3N)C(=O)c3ccccc3C4=O)CCC2C1 to decrease its LogP value.,CCC1CCC2CC(OC(=O)c3cc(Sc4ccc(Cl)cc4)c4c(c3N)C(=O)c3ccccc3C4=O)CC(N)C2C1
MR,Modify the molecule Cc1ccc2cc(C(=O)Nc3ccc(C(=O)N(C)C)c(Cl)c3)c(C)nc2c1 to increase its MR value.,Cc1ccc2cc(C(=O)Nc3ccc(C(=O)N(C)C)c(C(=O)[OH])c3)c(C)nc2c1
QED,Modify the molecule CC(C)COc1ccc(N=Nc2ccc(OCCCCCC(=O)OCC(C)(COC(=O)CCCCCOc3ccc(N=Nc4ccc(OCC(C)C)cc4)cc3)C(=O)OCCN3C(=O)C=CC3=O)cc2)cc1 to increase its QED value.,CC(C)COc1ccc(N=NOCCCCCC(=O)OCC(C)(COC(=O)CCCCCOc2ccc(N=Nc3ccc(OCC(C)C)cc3)cc2)C(=O)OCCN2C(=O)C=CC2=O)cc1
AtomNum,"The molecule has 19 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CN(CCOCC1CC1)C(NCCc1ccco1)=[NH+]Cc1cccs1
BondNum,"There is a molecule consisting of 20 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",C[NH+]1CCC(CN(CCc2ccccc2)C(=O)CC2CCCC2)CC1
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 amide groups, 1 thioether group, and 1 sulfide group.",COc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2SC)cc1
AddComponent,Please add a carboxyl to the molecule O=C(c1n[nH]c(=O)c2ccccc12)N1CCC(c2nc(CCOCc3ccccc3)no2)C1.,O=C(O)C(OCCc1noc(C2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1)c1ccccc1
SubComponent,Modify the molecule COc1cccc(C2C(=C([O-])c3cc(F)ccc3OC)C(=O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 by substituting a halo with a hydroxyl.,COc1cccc(C2C(=C([O-])c3cc(O)ccc3OC)C(=O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1
DelComponent,Modify the molecule amine by removing a CCc1cccc(CC)c1NC(=S)NC(C)C(C)(C)C.,CCc1cccc(CC)c1C(=S)NC(C)C(C)(C)C
LogP,Please optimize the molecule CCC[NH2+]C(c1ccc(Br)c(C)c1)C(C)c1ccccn1 to have a lower LogP value.,CCC[NH2+]C(CBr)C(C)c1ccccn1
MR,Optimize the molecule O=C([O-])C1CC(S(=O)(=O)c2ccccc2Cl)CN1c1nnc(C(F)(F)F)s1 to have a higher MR value.,O=C([O-])C1C(O)C(S(=O)(=O)c2ccccc2Cl)CN1c1nnc(C(F)(F)F)s1
QED,Modify the molecule CC(C)c1ccc(NC(=O)C(=O)NCC(c2ccc3c(c2)CCN3C)[NH+](C)C)cc1 to increase its QED value.,CC(C)c1ccc(N(O)CC(c2ccc3c(c2)CCN3C)[NH+](C)C)cc1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC1(C)CCc2onc(C(=O)N3CCCC(C4CCOCC4)C3)c2C1
BondNum,"There is a molecule composed of 25 single bonds, 2 double bonds, 14 rotatable bonds, and 18 aromatic bonds.",COc1ccccc1SCC1CC(c2ccc(CO)cc2)OC(c2ccc(NC(=O)CCCCCC(=O)NO)cc2)O1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 halo group.",COCC1(O)CCCCC1n1cnc(C(=O)N2CC[NH2+]CC2CCOc2ccccc2F)c1-c1ccccc1
AddComponent,Add a amine to the molecule CCOC(OCC)C(C)N(C(=O)C([NH3+])Cc1ccc(OC(C)(C)C)cc1)C(C(=O)OC(C)(C)C)c1cccc2sc(N)nc12.,CCOC(OCC)C(C)N(C(=O)C([NH3+])Cc1ccc(OC(C)(C)C)c(N)c1)C(C(=O)OC(C)(C)C)c1cccc2sc(N)nc12
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)CCCC(O)Cc1cccc(Cl)c1F with a thiol.,CC(C)CCCC(S)Cc1cccc(Cl)c1F
DelComponent,Remove a CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](Cc2cccc(F)c2)CC1 from the molecule amide.,CCCc1cc(C(=O)[O-])ccc1N1CC[NH+](Cc2cccc(F)c2)CC1
LogP,Please modify the molecule O=C(NCc1ccc(C(F)(F)F)cc1)N1CCCC1c1nnc(CO)n1Cc1ccc(Cl)cc1 to increase its LogP value.,N#CCc1nnc(C2CCCN2C(=O)NCc2ccc(C(F)(F)F)cc2)n1Cc1ccc(Cl)cc1
MR,Modify the molecule Cc1ccc(Cc2cccc(Br)c2)c(C)c1 to have a lower MR value.,Cc1ccc(Cc2ccccc2)c(C)c1
QED,Please modify the molecule C[NH2+]CC(O)c1nc(C)ccc1OC to increase its QED value.,C[NH2+]CC(C#N)c1nc(C)ccc1OC
AtomNum,"The molecule consists of 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCCCN(CCCC)C(=O)c1cccc(N)c1OC
BondNum,"Please generate a molecule with 15 single bonds, 3 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCCOc1c(Cl)cc(C(=O)NCc2ccccc2CS(=O)(=O)NC)cc1OC
FunctionalGroup,There is a molecule composed of and 1 sulfide group.,O=C([O-])c1cc2c(s1)CCOc1ccccc1-2
AddComponent,Please add a carboxyl to the molecule Cc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1.,Cc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1C(=O)O
SubComponent,Substitute a halo in the molecule CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 with a carboxyl.,CCCc1nc2ccc(C(=O)[OH])cc2c(=O)n1N=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1
DelComponent,Modify the molecule nitrile by removing a Cc1cc(O)c(CC(C)C#N)cc1O.,CCCc1cc(O)c(C)cc1O
LogP,Please optimize the molecule CCC(C)NC(=O)C(CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 to have a lower LogP value.,CCC(C)NC(=O)C(CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)OC
MR,Please modify the molecule CCC(O)(C(=O)[O-])c1cc2n(c(=O)c1CO)Cc1cc3cc(O)ccc3nc1-2 to increase its MR value.,CCC(C(=O)[O-])(C(=O)[OH])c1cc2n(c(=O)c1CO)Cc1cc3cc(O)ccc3nc1-2
QED,Optimize the molecule CC=CCCc1ccc(OC(=O)c2c(F)cc(C3CCC(CC(C)c4ccccc4)CC3)cc2F)cc1F to have a higher QED value.,CC=CCCc1ccc(OC(=O)c2c(O)cc(C3CCC(CC(C)c4ccccc4)CC3)cc2F)cc1F
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CCCc1nnsc1C(=O)N1CC(C)C([NH3+])C1
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CC1(C[NH2+]Cc2cccc(C(N)=O)c2)CCCC1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 4 ester groups.",C=CC(=O)OCC1CCCC(COC(=O)c2cccc(C(=O)OCC3CCC(COC(=O)C(=C)C)CC3)c2)C1
AddComponent,Please add a thiol to the molecule CC(C[NH+]1CCCC1)NC(=O)c1ncccc1O.,CC(C[NH+]1CCC(S)C1)NC(=O)c1ncccc1O
SubComponent,Please substitute a O=C(Nc1ccc(Nc2ccccc2N2CCOCC2)nc1)c1ccccc1F in the molecule halo with a nitro.,ONc1ccccc1C(=O)Nc1ccc(Nc2ccccc2N2CCOCC2)nc1
DelComponent,Remove a amine from the molecule C[NH+]1C(C)(C)CC(N[CH]C(C)(C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1(C)C.,C[NH+]1C(C)(C)CC([CH]C(C)(C)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1(C)C
LogP,Optimize the molecule CC(NC(=O)NC(c1ccc(F)cc1)C(C)(C)C)c1nncn1C to have a lower LogP value.,CC(NC(=O)NC(c1ccc(C#N)cc1)C(C)(C)C)c1nncn1C
MR,Please optimize the molecule C[NH+]=C(NCc1cc2c(cc1OC)CC(C)O2)NC1CCN(c2cccs2)CC1 to have a lower MR value.,COc1cc2c(cc1CNC(C)NC1CCN(c3cccs3)CC1)OC(C)C2
QED,Please optimize the molecule Cc1ccc2c(c1)C1C=CCC1C(c1ccc(N=Cc3ccc(OCc4ccccc4F)cc3)cc1)N2 to have a lower QED value.,Cc1ccc2c(c1)C1C=CCC1C(c1ccc(N=Cc3ccc(OCc4ccccc4NO)cc3)cc1)N2
AtomNum,"Please generate a molecule consisting 26 carbon atoms, and 4 oxygen atoms.",CCc1ccc2oc(-c3ccc(OC)cc3)c(OCc3ccccc3C)c(=O)c2c1
BondNum,"The molecule is composed of 15 single bonds, 4 double bonds, 9 rotatable bonds, and 11 aromatic bonds.",CC(C)OC(=O)c1ccc(NC(=O)COC(=O)CCNC(=O)c2ccco2)cc1
FunctionalGroup,"The molecule contains 1 hydroxyl group, 1 ketone group, 1 ester group, and 1 nitrile group.",CCOC(=O)CC1Cc2cc(C#N)c(C(=O)CO)cc2Cc2ccccc21
AddComponent,Add a hydroxyl to the molecule O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1.,O=C(CN(Cc1ccc(F)c(O)c1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1
SubComponent,Please substitute a hydroxyl in the molecule CCn1cc(C[NH2+]CC(O)C(C)(C)C)cn1 with a nitro.,CCn1cc(C[NH2+]CC(NO)C(C)(C)C)cn1
DelComponent,Remove a halo from the molecule O=C(NC(C[NH+]1CCCC1)C(O)c1cc(F)c2c(c1)OCCO2)OCc1ccccc1.,O=C(NC(C[NH+]1CCCC1)C(O)c1ccc2c(c1)OCCO2)OCc1ccccc1
LogP,Modify the molecule N#CC1(C(N)C2CCCC2)CC1 to have a higher LogP value.,NC(C1CCCC1)C1CC1
MR,Optimize the molecule CCCN(CCO)CC(F)(F)c1ccccc1 to have a lower MR value.,CCCN(CCO)CC(F)F
QED,Modify the molecule CCOC(=O)C1=C(COC(=O)c2cc(C)cc(C)c2)NC(=O)NC1 to decrease its QED value.,CCOC(=O)C1=C(COC(=O)CC)NC(=O)NC1
AtomNum,"The molecule contains 23 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCN(CC)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C#N)cc2)c(C)c1
BondNum,"The molecule has 11 single bonds, 1 double bond, 6 rotatable bonds, and 17 aromatic bonds.",Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N(C)CCOc1ccccc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 ester group, 2 amide groups, 1 amine group, and 3 halo groups.",CN(C(=O)C[NH+](C)C)c1ccc(NC(=COC(=O)C2C(=O)Nc3ccccc32)c2ccccc2)cc1C(F)(F)F
AddComponent,Modify the molecule COc1cccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2)c1 by adding a amine.,COc1ccc(N)c(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2)c1
SubComponent,Modify the molecule halo by substituting a COc1cc(C(F)F)c(OC)c(C=O)n1 with a nitrile.,COc1cc(C(F)C#N)c(OC)c(C=O)n1
DelComponent,Modify the molecule benzene ring by removing a O=c1cc([O-])cc(-c2cccc(Br)c2)o1.,O=c1cc([O-])cc(Br)o1
LogP,Modify the molecule NNC(CSc1ccccc1Br)c1cccc2c1OCC2 to decrease its LogP value.,NNC(CSc1ccccc1Br)c1cccc2c1OCC2O
MR,Please optimize the molecule O=C([O-])C1CCC(O)N1C(=O)OCC1c2ccccc2-c2ccccc21 to have a lower MR value.,O=C([O-])C1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
QED,Please modify the molecule COC(=O)CCn1c(=O)c2cc(I)ccc2n(C(C(=O)NC(C)(C)C)c2c[nH]c3ccccc23)c1=O to decrease its QED value.,COC(=O)CC(CC=O)n1c(=O)c2cc(I)ccc2n(C(C(=O)NC(C)(C)C)c2c[nH]c3ccccc23)c1=O
AtomNum,"The molecule has 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",Cc1ccc(-c2cnn(CCC(=O)[O-])c2)cc1Cl
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 8 rotatable bonds, and 18 aromatic bonds.",CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc(I)c1OCC
FunctionalGroup,The molecule has and 1 amide group.,Cc1ncnc(OCC2CCN(C(=O)C3CCOC3)CC2)c1C
AddComponent,Add a hydroxyl to the molecule FC(F)(F)c1ccc2c(N3CCC(OCc4ccncc4)C3)cc[nH+]c2c1.,OC(OC1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc23)C1)c1ccncc1
SubComponent,Substitute a halo in the molecule N#Cc1ccc(S(=O)(=O)NC(=O)C2CCCC2)cc1Cl with a aldehyde.,CC(=O)c1cc(S(=O)(=O)NC(=O)C2CCCC2)ccc1C#N
DelComponent,Remove a CNc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 from the molecule benzene ring.,CNc1ncc(Cl)c(NS(=O)(=O)C(C)C)n1
LogP,Modify the molecule O=C(NC1CCS(=O)(=O)C1)C1(CO)CC1 to increase its LogP value.,O=C(NC1CCS(=O)(=O)C1)C1(CF)CC1
MR,Modify the molecule C1=CC2c3ccccc3C3(c4ccccc4-c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)ccc5n6-c5ccc(-c6ccc7c(c6)c6cc(-c8ccc(-n9c%10ccc(-c%11ccc%12c(c%11)C%11(C%13=C%12CCC=C%13)c%12ccccc%12-c%12ccccc%12%11)cc%10c%10cc(-c%11ccc%12c(c%11)C%11(c%13ccccc%13-c%13ccccc%13%11)c%11ccccc%11-%12)ccc%109)cc8)ccc6n7-c6ccc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)cc6)cc5)cc43)C2C=C1 to have a lower MR value.,C1=CC2c3ccccc3C3(c4ccccc4-c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)ccc5n6-c5ccc(-c6ccc7c(c6)c6cc(-c8ccc(-n9c%10ccc(-c%11ccc%12c(c%11)C%11(C%13=C%12CCC=C%13)c%12ccccc%12-c%12ccccc%12%11)cc%10c%10cc(-c%11ccc%12c(c%11)C%11(c%13ccccc%13-c%13ccccc%13%11)c%11ccccc%11-%12)ccc%109)cc8)ccc6n7-c6ccc(-c7c8ccccc8cc8ccccc78)cc6)cc5)cc43)C2C=C1
QED,Please modify the molecule Cc1cc([N+](=O)[O-])ccc1-c1onc(N)c1I to decrease its QED value.,Cc1cc([N+](=O)[O-])ccc1-c1oncc1I
AtomNum,"The molecule contains 10 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CCC(O)CC[NH2+]Cc1csc(C)n1
BondNum,"Please generate a molecule with 16 single bonds, and 6 rotatable bonds.",CCOCCCN1CC(C)[NH2+]CC1(C)CC
FunctionalGroup,"The molecule has 1 amide group, 3 halo groups, 1 thioether group, and 2 sulfide groups.",CCn1c(SCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)nnc1C1CC1
AddComponent,Modify the molecule CCCn1c(N=NCc2c[nH]c3ccc(Cl)cc23)cc(=O)n(C)c1=O by adding a hydroxyl.,CCCn1c(N=NCc2c[nH]c3ccc(Cl)c(O)c23)cc(=O)n(C)c1=O
SubComponent,Please substitute a CCOC(=O)C[NH+]1CCN(C(=O)C(CNC(=O)c2ccc(Cl)s2)NS(=O)(=O)c2cccc(N3CCCC3=O)c2C)CC1 in the molecule halo with a nitro.,CCOC(=O)C[NH+]1CCN(C(=O)C(CNC(=O)c2ccc(NO)s2)NS(=O)(=O)c2cccc(N3CCCC3=O)c2C)CC1
DelComponent,Please remove a benzene ring from the molecule COc1ccc(CC2C(OC(C)=O)C(O)CN2C(C)=O)cc1Br.,COC(Br)C1C(OC(C)=O)C(O)CN1C(C)=O
LogP,Modify the molecule C=CCON=C(CC(C)[NH+]1CCOCC1)c1ccc(SC)cc1 to decrease its LogP value.,C=CCON=C(CC(C)[NH+]1CCOCC1)SC
MR,Please optimize the molecule COc1ccnc(C(=O)NC(C)C(=O)OC(C)C(c2ccc(F)c(C)c2)c2ccc(F)c(C)c2)c1OCOC(C)=O to have a higher MR value.,COc1ccnc(C(=O)NC(C)C(=O)OC(C)C(c2ccc(O)c(C)c2)c2ccc(F)c(C)c2)c1OCOC(C)=O
QED,Modify the molecule O=C([O-])C1CCC(C(=O)c2ccc(Cl)c(Cl)c2)C1 to have a lower QED value.,O=C([O-])C1CCC(C(=O)c2cccc(Cl)c2)C1
AtomNum,"There is a molecule with 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1cc(C(=O)N(CCO)Cc2cccnc2)c(Cl)cc1F
BondNum,"There is a molecule with 20 single bonds, 6 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CC(C)C(NC(=O)CC(NC(=O)C=Cc1ccncc1)c1ccccc1)C(=O)C1C(=O)NC(=O)C1C
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 1 ester group.",CCCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc1OCC
AddComponent,Modify the molecule CSc1ccccc1OCC1CC[NH2+]CC1 by adding a benzene ring.,CSc1c(OCC2CC[NH2+]CC2)cccc1-c1ccccc1
SubComponent,Modify the molecule Cc1ccccc1C(C)(O)C1(C[NH3+])CCCOC1 by substituting a hydroxyl with a halo.,Cc1ccccc1C(C)(Br)C1(C[NH3+])CCCOC1
DelComponent,Remove a Cc1cc(N)c(Cl)cc1NC(C)C1CC2CCC1C2 from the molecule benzene ring.,CC(C1CC2CCC1C2)N(C)NCl
LogP,Please modify the molecule COc1ccc(-c2nc(Cn3cnc(C#N)n3)cs2)cc1 to decrease its LogP value.,COc1nc(Cn2cnc(C#N)n2)cs1
MR,Modify the molecule COc1ccc(C=C(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2ccccc2)cc1 to have a lower MR value.,COc1ccc(C(c2ccccc2)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1
QED,Optimize the molecule COc1ccc(-n2cc(C=C(C#N)c3ccccc3)cc2C)cc1 to have a higher QED value.,COc1ccc(-n2cc(C=C(O)c3ccccc3)cc2C)cc1
AtomNum,"There is a molecule composed of 6 carbon atoms, and 5 oxygen atoms.",COC(=O)C1=C(C(=O)OC)O1
BondNum,"The molecule contains 12 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(=O)Nc1ccc(C)c(S(=O)(=O)NC2(CO)CC2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 5 hydroxyl groups, and 1 ester group.",O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OCCc2ccc3c(c2)OCO3)C(O)C(O)C1O
AddComponent,Please add a benzene ring to the molecule COCC(C)NC(=O)CN(C)c1ccccc1C(N)=S.,COCC(Cc1ccccc1)NC(=O)CN(C)c1ccccc1C(N)=S
SubComponent,Substitute a CCCC(c1nnnn1Cc1ccc(F)cc1)[NH+]1CCC(C(=O)[O-])CC1 in the molecule halo with a nitrile.,CCCC(c1nnnn1Cc1ccc(C#N)cc1)[NH+]1CCC(C(=O)[O-])CC1
DelComponent,Please remove a amide from the molecule CCN(CC)C(=O)c1cccc(C(=O)N(CC)c2ccccc2)n1.,CCN(CC)C(=O)c1ccc(-c2ccccc2)-n1CC
LogP,Modify the molecule CC1(CNC(=O)N2CCN(C(=O)C(C)(C)C)CC2)CCC(=O)N1 to increase its LogP value.,CC(C)CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1
MR,Optimize the molecule Cn1c(=O)cc(Cl)n(CC2CCC2)c1=O to have a higher MR value.,Cn1c(=O)cc(Cl)n(C(c2ccccc2)C2CCC2)c1=O
QED,Please optimize the molecule COc1ccc(C2Cc3cc(OC)ccc3C(=O)O2)cc1 to have a lower QED value.,COc1ccc2c(c1)CC(OC)OC2=O
AtomNum,"The molecule contains 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 chlorine atoms.",CC[NH2+]C1COCC1C(=O)NCCc1ccc(Cl)cc1Cl
BondNum,"There is a molecule composed of 9 single bonds, 1 double bond, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",N#CCNC(=O)c1cc(C(F)(F)F)ccc1F
FunctionalGroup,"There is a molecule consisting of 1 aldehyde group, and 2 ester groups.",COC(=O)CC1C(CC=O)C=CC1C(=O)OC
AddComponent,Add a benzene ring to the molecule NNC(=O)c1ccccc1CSc1cccs1.,NNC(=O)c1ccc(-c2ccccc2)cc1CSc1cccs1
SubComponent,Substitute a halo in the molecule COc1ccc(C2(C(Cl)(Cl)C3(c4ccc(OC)cc4)N=NN=N3)N=NN=N2)cc1 with a nitrile.,COc1ccc(C2(C(Cl)(C#N)C3(c4ccc(OC)cc4)N=NN=N3)N=NN=N2)cc1
DelComponent,Please remove a halo from the molecule O=C(Nc1cccc(CCl)n1)Nc1cccc(CCl)n1.,Cc1cccc(NC(=O)Nc2cccc(CCl)n2)n1
LogP,Optimize the molecule [NH3+]C1CCCC(NCC(F)(F)F)C1 to have a lower LogP value.,[NH3+]C1CC(NCC(F)(F)F)CCC1C(=O)O
MR,Modify the molecule CC(C)C1NC(=O)C(CCCC[NH3+])NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C([NH2+]CC(N)Cc2ccccc2)CSSCC(C(=O)NC(C(N)=O)C(C)O)NC1=O to have a higher MR value.,CC(C)C1NC(=O)C(CCC(C[NH3+])CC=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C([NH2+]CC(N)Cc2ccccc2)CSSCC(C(=O)NC(C(N)=O)C(C)O)NC1=O
QED,Modify the molecule CCCSc1ncccc1C(=O)N1C=CNc2ccccc2C1 to have a higher QED value.,CCCSc1(C2=CNc3ccccc3C2)nccc-1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",CCc1ccc(C(C)Nc2ccccc2F)s1
BondNum,"Please generate a molecule with 7 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",COC(Cc1cnc(N)cn1)OC
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amine group.",CCOc1ccccc1-n1nc(CC)c2c1NCC2
AddComponent,Please add a aldehyde to the molecule CCCCCCC[NH2+]C(CCl)CC(C)C.,CCCC(CC=O)CCC[NH2+]C(CCl)CC(C)C
SubComponent,Substitute a halo in the molecule Fc1ccc(-c2nc(COc3ccc4ncccc4c3)cs2)cc1 with a hydroxyl.,Oc1ccc(-c2nc(COc3ccc4ncccc4c3)cs2)cc1
DelComponent,Remove a halo from the molecule CCC1(C)CCN(S(=O)(=O)c2cncc(Br)c2)CC1.,CCC1(C)CCN(S(=O)(=O)c2cccnc2)CC1
LogP,Please modify the molecule CC(NC(=O)CC1CCCC1[NH3+])C(=O)N1CCCCC1C to increase its LogP value.,CC(C(=O)N1CCCCC1C)C1CCCC1[NH3+]
MR,Please optimize the molecule N#Cc1ccc(CCC(=O)N2CCCCC2C(F)(F)F)cc1 to have a lower MR value.,N#Cc1ccc(C2CCCCC2C(F)(F)F)cc1
QED,Modify the molecule CNc1ccc(C(OC(c2ccccc2)c2ccc(NC)cc2)c2ccccc2)cc1 to increase its QED value.,CNc1ccc(C(OC(c2ccccc2)c2ccc(C)cc2)c2ccccc2)cc1
AtomNum,"There is a molecule with 16 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",[NH3+]CC1CCCC1C(=O)NC1CCN(c2ncccc2Cl)C1
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 4 rotatable bonds, and 22 aromatic bonds.",COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc3sc(C(N)=O)c(N)c23)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",CCCOc1ccc(C2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1
AddComponent,Please add a benzene ring to the molecule CCOC(CNC(=O)c1ccc([N+](=O)[O-])cc1C)OCC.,CCOC(CNC(=O)c1ccc([N+](=O)[O-])cc1Cc1ccccc1)OCC
SubComponent,Substitute a CCOC(=O)c1cnc2c(Br)cncc2c1Cl in the molecule halo with a nitro.,CCOC(=O)c1cnc2c(NO)cncc2c1Cl
DelComponent,Remove a amine from the molecule CC[NH2+]CCc1ccc(S(=O)(=O)NCCc2nccs2)s1.,CC[NH2+]CCc1ccc(S(=O)(=O)CCc2nccs2)s1
LogP,Optimize the molecule N#CC1(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)CCCCCC1 to have a higher LogP value.,O=C(C[NH+]1CCC(C(=O)Nc2ccccn2)CC1)NC1(S)CCCCCC1
MR,Please optimize the molecule O=C1C=C(c2c(O)cc(Cl)cc2Cl)C(=O)C=C1Cl to have a lower MR value.,O=C1C=C(c2ccc(Cl)cc2Cl)C(=O)C=C1Cl
QED,Modify the molecule CC[NH+](CCCO)CC(=O)N(C)Cc1ccco1 to increase its QED value.,CC[NH+](CCCC#N)CC(=O)N(C)Cc1ccco1
AtomNum,"There is a molecule composed of 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",C=Cc1cc(=O)n(COC)nc1-c1ccccc1
BondNum,"There is a molecule consisting of 8 single bonds, 6 rotatable bonds, and 15 aromatic bonds.",CC[NH+](CC)CCn1ccc2ccc(-c3ccsc3)cc21
FunctionalGroup,The molecule consists of and 2 amide groups.,CCNC(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1
AddComponent,Modify the molecule CCN(CC)c1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1 by adding a aldehyde.,CCN(CC)c1ccc(NC(=O)Cc2ccc3c(c2)OCO3)c(CC=O)c1
SubComponent,Modify the molecule halo by substituting a CCC[NH2+]C(c1ccc(Br)o1)c1c(F)cc(OC)cc1F with a nitrile.,CCC[NH2+]C(c1ccc(C#N)o1)c1c(F)cc(OC)cc1F
DelComponent,Modify the molecule amide by removing a CC1CN(C(=O)CCn2ccccc2=O)CC(C)[NH2+]1.,CC1CC(n2ccccc2=O)CC(C)[NH2+]1
LogP,Modify the molecule COc1ccc(-c2cccc(C#N)c2)cc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCC(CN(C(=O)[O-])C(C)(C)C)CC1 to increase its LogP value.,COc1ccc(-c2ccccc2)cc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCC(CN(C(=O)[O-])C(C)(C)C)CC1
MR,Please optimize the molecule CCCS(=O)(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1 to have a higher MR value.,CC(CS(=O)(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1)c1ccccc1
QED,Modify the molecule CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC(C[NH2+]C)C2)cc1 to have a lower QED value.,CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC(C[NH2+]C)C2)cc1O
AtomNum,"The molecule has 9 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 chlorine atom.",Cc1nn(C)c(Cl)c1COC1C[NH2+]C1
BondNum,"Please generate a molecule composed of 17 single bonds, 1 rotatable bond, and 6 aromatic bonds.",COc1c(O)c2c(c3c1CCC(C)(C)O3)C1CCC2C1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, and 2 halo groups.",Cc1cc(C)cc(OCC[NH+](C)C(C)C(=O)Nc2ccc(F)cc2F)c1
AddComponent,Add a hydroxyl to the molecule O=C(c1ccc(OCc2ccccc2)cc1)N1CCC(Nc2ccccc2)CC1.,O=C(c1ccc(OCc2ccccc2)cc1)N1CCC(Nc2ccccc2)C(O)C1
SubComponent,Please substitute a halo in the molecule COc1ccccc1C1CC1C(=O)Nc1cc(C(=O)NC(C)c2ccccc2)cc(F)c1C with a carboxyl.,COc1ccccc1C1CC1C(=O)Nc1cc(C(=O)NC(C)c2ccccc2)cc(C(=O)[OH])c1C
DelComponent,Modify the molecule benzene ring by removing a CC1=C(C)N(c2ccc(C)cc2)C(Cc2ccccc2)N1[O-].,CC1=C(C)N([O-])C(Cc2ccccc2)N1C
LogP,Please optimize the molecule O=S(=O)(NC1CCc2ccccc21)c1ccccc1Br to have a lower LogP value.,ONc1ccccc1S(=O)(=O)NC1CCc2ccccc21
MR,Please modify the molecule Cn1nc(-c2nncn2-c2ccccc2)c2c1CCN(C(=O)c1cccc(F)c1)C2 to increase its MR value.,Cn1nc(-c2nncn2-c2ccccc2)c2c1CCN(C(=O)c1cccc(S)c1)C2
QED,Please optimize the molecule CC(CO)NC(=O)CCSc1ccccc1Cl to have a lower QED value.,CC(CO)NC(=O)CCSCl
AtomNum,"The molecule consists of 10 carbon atoms, and 3 nitrogen atoms.",CC[NH2+]C(C)C(C)c1ccncn1
BondNum,"The molecule contains 18 single bonds, 3 double bonds, and 2 rotatable bonds.",COC(=O)N1CCN(C(=O)C2C(C(=O)[O-])C2(C)C)CC1
FunctionalGroup,"Please generate a molecule composed of 1 thioether group, and 1 thiol group.",C[NH+](CCS)CCc1ccc2nc[nH]c2c1
AddComponent,Modify the molecule CC(C)C1CCCC2C1[Si]2(C(C)(C)C)C(C)(C)C by adding a amine.,CC(C)(N)C1CCCC2C1[Si]2(C(C)(C)C)C(C)(C)C
SubComponent,Modify the molecule C[NH2+]CCc1[nH]c2cc(Br)ccc2c1C by substituting a halo with a carboxyl.,C[NH2+]CCc1[nH]c2cc(C(=O)[OH])ccc2c1C
DelComponent,Please remove a COC(=O)C(Cc1ccc[nH]1)NS(=O)(=O)c1cccs1 from the molecule amine.,COC(=O)C(Cc1ccc[nH]1)S(=O)(=O)c1cccs1
LogP,Optimize the molecule COc1ccccc1COCCCOc1ccc(C(OC)(c2ccc(C#N)cc2)C2C[NH2+]CC(=O)N2)cc1 to have a higher LogP value.,COc1ccccc1COCCCOc1ccc(C(OC)(c2ccc(Cl)cc2)C2C[NH2+]CC(=O)N2)cc1
MR,Please modify the molecule CC([NH2+]C(C)(CO)CO)c1nc2ccccc2n1C to decrease its MR value.,CC([NH2+]C(C)(C)CO)c1nc2ccccc2n1C
QED,Please modify the molecule CC(CN1CC(c2nc(-c3ccc(F)c(Cl)c3)no2)CC1=O)c1ccccc1 to increase its QED value.,CC(CN1CC(c2nc(-c3ccc(O)c(Cl)c3)no2)CC1=O)c1ccccc1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 sulfur atoms, 1 chlorine atom, and 1 bromine atom.",ClC(c1cc2c(s1)CCC2)c1csc2c(Br)cccc12
BondNum,"The molecule is composed of 13 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CCc1cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)on1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 2 amide groups, and 1 halo group.",COc1ccc(CN(C(=O)COc2ccccc2Cl)C(C)C(=O)NCC(C)C)cc1
AddComponent,Modify the molecule CN1CC([NH2+]C2CCCC2)CC1=O by adding a benzene ring.,O=C1CC([NH2+]C2CCCC2)CN1Cc1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a NC(=[NH+]O)N(CCCO)C1CCC1 with a halo.,NC(=[NH+]Br)N(CCCO)C1CCC1
DelComponent,Modify the molecule benzene ring by removing a [NH3+]Cc1ccccc1Cc1nc(Cc2cccs2)no1.,[NH3+]CCc1nc(Cc2cccs2)no1
LogP,Please modify the molecule NC(=[NH+]c1ccccc1)[NH+]=C(N)N1CC=CCC1 to increase its LogP value.,NC(=[NH+]C=[NH+]c1ccccc1)N1CC=CCC1
MR,Modify the molecule CCC(C)OC(=O)N1CCC(NS(C)(=O)=O)C1Cc1cccc(-c2ccccc2)c1 to decrease its MR value.,CCC(C)OC(=O)N1CCC(S(C)(=O)=O)C1Cc1cccc(-c2ccccc2)c1
QED,Modify the molecule CC#Cc1ccccc1N1CCCC1C(F)(F)F to increase its QED value.,CC#Cc1ccccc1N1CCCC1C(F)F
AtomNum,"Please generate a molecule composed of 17 carbon atoms, and 5 oxygen atoms.",CCCCCCOC(=O)C=CC(=O)Oc1ccc(OC)cc1
BondNum,"Please generate a molecule consisting 14 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(C(C)C)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 thioether group, and 1 sulfide group.",c1ccc(SCC[NH+]2CCCN(c3ncccn3)CC2)cc1
AddComponent,Modify the molecule Cc1c(Cl)nc(C(C)(C)C)nc1OCC1CCCC1 by adding a benzene ring.,Cc1c(Cl)nc(C(C)(C)Cc2ccccc2)nc1OCC1CCCC1
SubComponent,Substitute a halo in the molecule COc1ccc(Br)c(-c2nnc(Cl)s2)c1 with a nitro.,COc1ccc(NO)c(-c2nnc(Cl)s2)c1
DelComponent,Modify the molecule CCCc1nc(C[NH+](C)Cc2ccc(Cl)s2)cs1 by removing a halo.,CCCc1nc(C[NH+](C)Cc2cccs2)cs1
LogP,Optimize the molecule CC(C)(C)CC(NC(=O)c1cccc(Cl)c1)Nc1c(Nc2cccnc2)c(=O)c1=O to have a lower LogP value.,CC(C)(C)CC(NC(=O)c1ccc(O)c(Cl)c1)Nc1c(Nc2cccnc2)c(=O)c1=O
MR,Modify the molecule CC(C)C1([NH3+])C(=O)Nc2ccccc21 to have a higher MR value.,CC(C)C1([NH3+])C(=O)Nc2c(N)cccc21
QED,Modify the molecule Clc1ccc(CCNc2nncc(Nc3cccc4cccnc34)n2)cc1 to have a lower QED value.,Oc1cnc2c(Nc3cnnc(NCCc4ccc(Cl)cc4)n3)cccc2c1
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 7 fluorine atoms.",OC(C(F)F)C(F)N(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, 9 rotatable bonds, and 12 aromatic bonds.",CCNC(NCc1ccccn1)=[NH+]Cc1ccc(OCCO)c(OC)c1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, and 1 halo group.",COCCOc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1Br
AddComponent,Modify the molecule CCC(C)n1c(=O)c(C)cn2nc(N)nc12 by adding a carboxyl.,Cc1cn2nc(N)nc2n(C(C)C(C)C(=O)O)c1=O
SubComponent,Modify the molecule Cc1cnc(C(C)NS(=O)(=O)CCCl)o1 by substituting a halo with a nitrile.,Cc1cnc(C(C)NS(=O)(=O)CCC#N)o1
DelComponent,Remove a hydroxyl from the molecule CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(OC5OC(COC(C)=O)C(OC6OCC(O)C(O)C6O)C(O)C5O)CCC45CC35CC(O)C12C.,CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(OC5OC(COC(C)=O)C(OC6OCCC(O)C6O)C(O)C5O)CCC45CC35CC(O)C12C
LogP,Modify the molecule Fc1cccnc1N1CCCC2(C1)OCCO2 to increase its LogP value.,Fc1ccc(-c2ccccc2)nc1N1CCCC2(C1)OCCO2
MR,Optimize the molecule O=C(OCc1csc(-c2ccccc2Cl)n1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 to have a higher MR value.,CC(=O)c1ccccc1-c1nc(COC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cs1
QED,Modify the molecule O=C1Nc2ccccc2C12C=C(c1ccccc1)N(Cc1ccccc1)C(=S)S2 to have a lower QED value.,O=CCc1ccc2c(c1)NC(=O)C21C=C(c2ccccc2)N(Cc2ccccc2)C(=S)S1
AtomNum,"Please generate a molecule consisting 37 carbon atoms, 6 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",Cc1c(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCOCC4)ccc3Cl)CC2)cccc1C(=O)N1CCCC(C)C1
BondNum,"There is a molecule with 16 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC(=O)N1CCc2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc21
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 halo group, and 1 sulfide group.",Ic1ccc(-c2cn3c4c(sc3[nH+]2)CCC4)cc1
AddComponent,Add a amine to the molecule CCOC(=O)c1ccccc1COc1ccc(C(C)CCCO)cc1.,CCOC(=O)c1ccccc1COc1ccc(C(C)CCCO)cc1N
SubComponent,Substitute a halo in the molecule [NH3+]CCc1csc(-c2ccsc2Cl)n1 with a hydroxyl.,[NH3+]CCc1csc(-c2ccsc2O)n1
DelComponent,Remove a benzene ring from the molecule Cc1cccc(Cc2nc(C(=O)[O-])cc(N(C)C)n2)c1.,CCc1nc(C(=O)[O-])cc(N(C)C)n1
LogP,Optimize the molecule N#Cc1cccc(CCC=O)c1CC(=O)[O-] to have a lower LogP value.,N#CC(CCC=O)C(=O)[O-]
MR,Modify the molecule OCC(CCSC(F)(F)F)Cc1cccc(Cl)c1 to have a higher MR value.,N#CC(F)(F)SCCC(CO)Cc1cccc(Cl)c1
QED,Please modify the molecule O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(Cl)c[nH]1 to increase its QED value.,O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc[nH]1
AtomNum,"There is a molecule consisting of 11 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",Nc1nc2c(c(NC3CCOCC3)n1)S(=O)CC2
BondNum,"There is a molecule consisting of 8 single bonds, 6 rotatable bonds, and 10 aromatic bonds.",Nc1nc(NCCCCCO)c2cn[nH]c2n1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ketone group, and 2 halo groups.",CC[NH+](CC)C1(C(=O)c2cc(Br)ccc2F)CCCC1
AddComponent,Modify the molecule NC(=O)N1CCC[NH+](CC2C[NH+](Cc3ccccc3)CCCO2)CC1 by adding a nitrile.,N#Cc1ccc(C[NH+]2CCCOC(C[NH+]3CCCN(C(N)=O)CC3)C2)cc1
SubComponent,Please substitute a halo in the molecule COc1c(C)cnc(Cn2cc(C#CCCOC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c3c(Cl)nc(N)nc32)c1C with a nitro.,COc1c(C)cnc(Cn2cc(C#CCCOC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c3c(NO)nc(N)nc32)c1C
DelComponent,Modify the molecule Cc1nc(F)cc(Cl)c1C by removing a halo.,Cc1nccc(Cl)c1C
LogP,Please modify the molecule CC(C)N(CCCBr)S(=O)(=O)c1ccc2c(c1)OCCO2 to decrease its LogP value.,CC(C)N(CCC(O)Br)S(=O)(=O)c1ccc2c(c1)OCCO2
MR,Please modify the molecule COc1c(C=CC[NH3+])cc(Cl)cc1C(F)(F)F to increase its MR value.,COc1c(C=CC[NH3+])cc(Cl)c(O)c1C(F)(F)F
QED,Optimize the molecule C[NH2+]Cc1ncc(C(F)(F)F)cc1F to have a higher QED value.,C[NH2+]Cc1ncc(C(F)F)cc1F
AtomNum,"There is a molecule with 25 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",COC1CCN(c2cnc(C(=O)NCc3ccc4c(c3)CC[NH+](C3CCC3)CC4)cn2)C1
BondNum,"Please generate a molecule consisting 16 single bonds, 2 double bonds, 7 rotatable bonds, and 22 aromatic bonds.",CCOc1cc(C(=O)N2CCc3[nH]c4ccc(C(=O)OC)cc4c3C2)ccc1OCc1ccncc1
FunctionalGroup,Please generate a molecule with and 1 amide group.,CC1CC[NH+](CC(=O)NCc2cccnc2)C2CCCCC12
AddComponent,Please add a hydroxyl to the molecule Cc1cc(-c2nc(N)cc(C(C)C)n2)ccc1Br.,Cc1cc(-c2nc(N)cc(C(C)(C)O)n2)ccc1Br
SubComponent,Modify the molecule halo by substituting a CCCCOC1CCC(COc2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)CC1 with a hydroxyl.,CCCCOC1CCC(COc2cc(O)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)CC1
DelComponent,Please remove a benzene ring from the molecule CCc1ccc(OCn2cc(NC(=O)C(=Cc3ccccc3)c3ccccc3)cn2)cc1.,C=C(C(=O)Nc1cnn(COc2ccc(CC)cc2)c1)c1ccccc1
LogP,Modify the molecule CN(CCC1CCCC[NH2+]1)C(=O)c1ccc(O)c(O)c1 to increase its LogP value.,CN(CCC1CCCC[NH2+]1)C(=O)c1ccc(S)c(O)c1
MR,Please modify the molecule COc1cccc(C(O)C#CCNS(=O)(=O)c2ccc(C)cc2)c1 to decrease its MR value.,COc1cccc(CC#CCNS(=O)(=O)c2ccc(C)cc2)c1
QED,Modify the molecule CCNc1nc(-c2cc(O)cc(F)c2)nc(C)c1C to have a lower QED value.,CCc1nc(-c2cc(O)cc(F)c2)nc(C)c1C
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 3 oxygen atoms, and 1 sulfur atom.",CC(C)c1cc(C2CCCCC2)cc(C(C)C)c1S(=O)(=O)[O-]
BondNum,"There is a molecule with 5 single bonds, 2 double bonds, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)Nc1cc(Br)cc(C#N)c1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 sulfide group.",O=C(NCC(c1cccs1)[NH+]1CCOCC1)c1cc2ccccc2o1
AddComponent,Please add a benzene ring to the molecule CC(C)=CCON=C1CCCCC1.,CC(C)=CCON=C1CCCC(c2ccccc2)C1
SubComponent,Modify the molecule halo by substituting a CCC[NH2+]C(c1cc(C)c(Cl)s1)c1c(F)cccc1F with a nitrile.,CCC[NH2+]C(c1cc(C)c(C#N)s1)c1c(F)cccc1F
DelComponent,Modify the molecule hydroxyl by removing a [N-]=[N+]=NC(CCCO)([N+](=O)[O-])[N+](=O)[O-].,CCCC(N=[N+]=[N-])([N+](=O)[O-])[N+](=O)[O-]
LogP,Optimize the molecule CC(C)[NH+](C)CC(O)Cn1cc(N)cn1 to have a lower LogP value.,CC(C)[NH+](C)C(N)C(O)Cn1cc(N)cn1
MR,Optimize the molecule CC(C)C([NH2+]C(O)c1cc2ccccc2[nH]1)c1ccc(C(N)=O)cc1 to have a higher MR value.,CC(C)C([NH2+]C(C(=O)[OH])c1cc2ccccc2[nH]1)c1ccc(C(N)=O)cc1
QED,Modify the molecule CC(=O)NCCc1nnc(SCC(=O)c2ccc(Cl)s2)n1-c1ccc(C)c(C)c1 to have a higher QED value.,CC(=O)NCCc1nnc(SCC(=O)c2ccc(O)s2)n1-c1ccc(C)c(C)c1
AtomNum,"There is a molecule with 22 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",COc1cccc(OC)c1C(=O)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1
BondNum,"There is a molecule composed of 12 single bonds, 5 rotatable bonds, and 29 aromatic bonds.",Fc1ccccc1N1CCN(c2nc(-c3ccc(Oc4ccccc4)cc3)nc3ccccc23)CC1
FunctionalGroup,"The molecule consists of 1 amide group, and 2 halo groups.",O=C(NCC1(CCl)CCCC1)c1cncc(Br)c1
AddComponent,Modify the molecule CCNc1ccc(C[NH+]2CCSCC2C)cc1[N+](=O)[O-] by adding a hydroxyl.,CCNc1ccc(C[NH+]2CCSCC2C)c(O)c1[N+](=O)[O-]
SubComponent,Please substitute a halo in the molecule CCOCC(=O)N1CCCC1c1ccccc1Cl with a thiol.,CCOCC(=O)N1CCCC1c1ccccc1S
DelComponent,Please remove a C[NH2+]C(C1=CCCCC1)c1ccccc1OC(F)F from the molecule benzene ring.,C[NH2+]C(OC(F)F)C1=CCCCC1
LogP,Modify the molecule CCC(C)c1ccc(C(Br)c2cc3c(s2)CCC3)cc1 to decrease its LogP value.,CCC(C)c1ccc(C(NO)c2cc3c(s2)CCC3)cc1
MR,Modify the molecule O=C1CCN(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 to have a lower MR value.,O=C1CCN(c2ccccc2)C(=O)N1c1ccccc1
QED,Optimize the molecule Cc1cc(C)n2nc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)nc2n1 to have a higher QED value.,Cc1cc(C)n2nc(C(=O)NC(=O)NCc3ccco3)nc2n1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(O)c(Br)c3)cc2)cc1C
BondNum,"The molecule contains 15 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",O=C(NCCOc1cccc(C(F)(F)F)c1)c1n[nH]c2c1C[NH2+]CC2
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 2 halo groups.",CCN(CCBr)C(=O)c1cc(Br)ccc1O
AddComponent,Modify the molecule CCc1cccc2c3c([nH]c12)C(CC)(Cc1n[nH]c(=S)n1CC)OCC3 by adding a amine.,CCc1cccc2c3c([nH]c12)C(CC)(Cc1n[nH]c(=S)n1CC)OCC3N
SubComponent,Modify the molecule halo by substituting a COc1ccccc1CCNC(=O)c1ccc(OC(F)F)c(OC)c1 with a carboxyl.,COc1ccccc1CCNC(=O)c1ccc(OC(F)C(=O)[OH])c(OC)c1
DelComponent,Modify the molecule amide by removing a CCOC(=O)COc1cccc(NC(=O)Cc2ccccc2F)c1.,CCOC(=O)COc1cccc(-c2ccccc2F)c1
LogP,Optimize the molecule COc1cc(Cl)c(C)cc1Nc1nccc(C)c1N to have a higher LogP value.,COc1cc(Cl)c(Cc2ccccc2)cc1Nc1nccc(C)c1N
MR,Modify the molecule C=C(C(=O)OC)C(C1=C(C)C(=O)N(c2ccc(C(C)(C)C)cc2)C1=O)c1cccc(C(F)(F)F)c1 to increase its MR value.,C=C(C(=O)OC)C(C1=C(C)C(=O)N(c2ccc(C(C)(C)C)cc2)C1=O)c1cccc(C(F)(F)C(=O)[OH])c1
QED,Please modify the molecule CC(C)(C)OC(=O)N1CCCN(C(=O)CSc2ccccc2)CC1 to increase its QED value.,CC(C)(C)OC(=O)N1CCCC(Sc2ccccc2)C1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 3 oxygen atoms, and 1 sulfur atom.",O=C([O-])COCCc1cccc2ccsc12
BondNum,"The molecule has 4 single bonds, 1 rotatable bond, and 17 aromatic bonds.",Fc1ccc2cc(-c3cc(Cl)cc(Cl)c3)ccc2c1
FunctionalGroup,Please generate a molecule consisting and 1 amine group.,CCCCCN(C)c1nc(-c2ccnc(C)c2)ccc1N
AddComponent,Add a benzene ring to the molecule N#CCCn1nc(-c2ccccc2)c2c1CCCC2CC[NH3+].,N#CCCn1nc(-c2ccccc2)c2c1CCCC2C(C[NH3+])c1ccccc1
SubComponent,Modify the molecule halo by substituting a COCCn1c(C(C)NC(=O)CC2C(C)NNC2c2ccc(F)cc2)nc2ccccc21 with a thiol.,COCCn1c(C(C)NC(=O)CC2C(C)NNC2c2ccc(S)cc2)nc2ccccc21
DelComponent,Remove a nitrile from the molecule CCC(CC)N(C)C(=O)c1ccc(C#N)cn1.,CCC(CC)N(C)C(=O)c1ccccn1
LogP,Optimize the molecule CNC(=O)C(C)C[NH+](C)CC(O)CN1CC[NH2+]CC1 to have a higher LogP value.,CNC(=O)C(C)C[NH+](C)CC(C#N)CN1CC[NH2+]CC1
MR,Modify the molecule O=C(NCC(=O)N1CCCC1)NCC1CCOC1c1ccccc1 to have a lower MR value.,O=C(NCC(=O)N1CCCC1)NCC1CCOC1
QED,Modify the molecule COCC[NH2+]C(C(C)C)C(O)c1ccccc1 to have a lower QED value.,COCC[NH2+]C(C(C)C)C(NO)c1ccccc1
AtomNum,"The molecule is composed of 12 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 3 fluorine atoms.",CC(C)C[NH+]1CCN(C(=O)CNCC(F)(F)F)CC1
BondNum,"The molecule has 15 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1
FunctionalGroup,The molecule contains and 2 halo groups.,FC(F)COCC1CC[NH2+]C1
AddComponent,Please add a aldehyde to the molecule CCC[NH2+]C(C)CCCSc1ncco1.,CCC[NH2+]C(C)(CC=O)CCCSc1ncco1
SubComponent,Substitute a halo in the molecule Cc1ccc(Cl)cc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)Nc3cc(F)ccc3F)cc2C)CC1 with a aldehyde.,CC(=O)c1ccc(C)c(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4cc(F)ccc4F)cc3C)CC2)c1
DelComponent,Modify the molecule benzene ring by removing a N#Cc1ccc(-c2ccc(C3CC3[NH2+]CC3CC[NH+](CCCc4ccc(C(=O)NO)cc4)CC3)cc2)cc1.,N#Cc1ccc(C2CC2[NH2+]CC2CC[NH+](CCCc3ccc(C(=O)NO)cc3)CC2)cc1
LogP,Please modify the molecule CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 to decrease its LogP value.,CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(S)ccc1C)S(=O)(=O)c1ccc(C)cc1
MR,Optimize the molecule CC[NH+](CCNC(NCc1ccc(F)cc1C(F)(F)F)=[NH+]C)C(C)C to have a lower MR value.,CC[NH+](CCNC(C)NCc1ccc(F)cc1C(F)(F)F)C(C)C
QED,Modify the molecule CC1C(NC(=O)c2ccc(Oc3ccc(Cl)cc3)s2)C2CC[NH+]1CC2 to increase its QED value.,CC1C(NC(=O)c2ccc(Oc3ccccc3)s2)C2CC[NH+]1CC2
AtomNum,"There is a molecule with 19 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",C[NH+](C)C(CNC(=O)NC1CCCCC1)c1ccc2c(c1)CCO2
BondNum,"There is a molecule composed of 38 single bonds, 35 rotatable bonds, and 5 aromatic bonds.",CCCCCCCCCCCCCCCCCCc1n(CCCCCCCCCCCCC)cc[n+]1CCCCCCC
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 1 amine group, and 2 halo groups.",CC(C)CNc1cc(C(=O)Nc2c(F)cccc2F)nc(-c2ccccc2)n1
AddComponent,Add a hydroxyl to the molecule CC1CN(C(=O)NCCC2COc3ccccc3O2)C1C.,CC1N(C(=O)NCCC2COc3ccccc3O2)CC1(C)O
SubComponent,Substitute a halo in the molecule Cc1ccccc1C(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCC4)c3)CC2)cc1 with a aldehyde.,CC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(NC(=O)c4ccccc4C)cc3)CC2)cc1C(=O)NC1CCCC1
DelComponent,Remove a CC(C)C(=O)N1CCC(Oc2ccccc2)CC1 from the molecule benzene ring.,CC(C)C(=O)N1CCC(O)CC1
LogP,Modify the molecule C[NH2+]CC(CCCCOC)c1ccc(F)cc1 to decrease its LogP value.,C[NH2+]CC(F)CCCCOC
MR,Please optimize the molecule C#CCCOc1nc(Br)cn2ccnc12 to have a higher MR value.,C#CCCOc1nc(Br)cn2cc(C(=O)O)nc12
QED,Modify the molecule C=CC(=O)c1coc(Br)c1 to have a higher QED value.,C=CC(=O)c1cc(Br)oc1-c1ccccc1
AtomNum,"The molecule has 20 carbon atoms, 6 oxygen atoms, and 2 nitrogen atoms.",CCCCCOC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1
BondNum,"Please generate a molecule with 6 single bonds, 3 rotatable bonds, and 16 aromatic bonds.",CC(Nc1ccc(Br)nc1)c1nc2ccccc2n1C
FunctionalGroup,"There is a molecule with 1 amide group, and 1 amine group.",Nc1nonc1C(=O)NCCC[NH+]1CCCC1
AddComponent,Add a amine to the molecule COc1ccccc1Cc1noc(C2CN(C(=O)c3ccccc3)C2)n1.,COc1ccccc1Cc1noc(C2(N)CN(C(=O)c3ccccc3)C2)n1
SubComponent,Modify the molecule halo by substituting a Cc1cnc(NC(=O)NCCCSc2ccc(F)cc2)s1 with a aldehyde.,CC(=O)c1ccc(SCCCNC(=O)Nc2ncc(C)s2)cc1
DelComponent,Modify the molecule amine by removing a COCCCOc1nc(C)cc(C(N)=S)n1.,COCCCOc1nc(C)cc(C=S)n1
LogP,Modify the molecule Cn1ccnc1C[NH+]1CCOCC1c1ncc(-c2ccccc2)[nH]1 to decrease its LogP value.,Cn1ccnc1C[NH+]1CCOCC1c1ncc[nH]1
MR,Modify the molecule Cc1nc2c(s1)CC(C(=O)N1CCOCC1)CC2 to have a lower MR value.,Cc1nc2c(s1)C1CCOCC1CC2
QED,Modify the molecule CC(NC(=O)c1ccc(Br)c(Cl)c1)c1cccc(N)c1 to decrease its QED value.,CC(NC(=O)c1ccc(NO)c(Cl)c1)c1cccc(N)c1
AtomNum,"The molecule has 18 carbon atoms, 2 oxygen atoms, and 1 bromine atom.",COc1cc(C(Br)c2ccc3c(c2)CC(C)O3)ccc1C
BondNum,"There is a molecule with 7 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",Cc1c(C(=O)[O-])n(CCO)c2ccc(Br)cc12
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 4 halo groups.",[NH3+]C(Cc1c(F)cccc1F)c1ccc(F)cc1F
AddComponent,Please add a hydroxyl to the molecule Cc1cc(C(=O)NC(CC(=O)[O-])C(C)C)sc1Br.,Cc1cc(C(=O)NC(CC(=O)[O-])C(C)CO)sc1Br
SubComponent,Modify the molecule halo by substituting a CCC1CCCC[NH+]1C(C(=O)[O-])c1ccccc1Cl with a carboxyl.,CCC1CCCC[NH+]1C(C(=O)[O-])c1ccccc1C(=O)[OH]
DelComponent,Modify the molecule amide by removing a C[NH+](C)CCN1C(=O)CCSC1c1ccc(Cl)cc1.,C[NH+](C)CCC1(c2ccc(Cl)cc2)CS1
LogP,Please modify the molecule CCC(C)(C)OCC(O)c1ccc2ccccc2c1 to increase its LogP value.,CCC(C)(C)OCC(I)c1ccc2ccccc2c1
MR,Please optimize the molecule Cc1nc(C=CC(=O)Nc2ccc(C#N)c(Cl)c2)cs1 to have a higher MR value.,CC(=O)c1cc(NC(=O)C=Cc2csc(C)n2)ccc1C#N
QED,Please optimize the molecule CCC[NH2+]C(CCC)c1cccc(F)c1F to have a lower QED value.,CCC[NH2+]C(CCCc1ccccc1)c1cccc(F)c1F
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",Nc1ccc(O)c(-c2nc(-c3ccc(F)cc3)n[nH]2)c1
BondNum,"The molecule contains 15 single bonds, 9 rotatable bonds, and 6 aromatic bonds.",CCC(CC)[NH+](CCOC)CC(O)c1cc(C)ccc1C
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 thioether group, and 1 sulfide group.",O=C(NCCSc1ccccn1)Nc1cccc(C(=O)N2CCCCC2)c1
AddComponent,Please add a hydroxyl to the molecule CC(C)C(C(N)=O)C(=O)NC1(C)COCC1=O.,CC(C)C(C(N)=O)C(=O)NC1(CO)COCC1=O
SubComponent,Modify the molecule hydroxyl by substituting a [O-]N1OC(CO)C(O)C1O with a carboxyl.,O=C([OH])CC1ON([O-])C(O)C1O
DelComponent,Modify the molecule halo by removing a NC(=[NH+]O)c1ccc(N2CCCCCC2)c(Br)c1.,NC(=[NH+]O)c1ccc(N2CCCCCC2)cc1
LogP,Optimize the molecule CCOC(=O)CC[NH+]1CCc2cc(OCCCNc3ccccn3)ccc2C1 to have a higher LogP value.,CCOC(=O)CC[NH+]1CCc2cc(OCCCc3ccccn3)ccc2C1
MR,Modify the molecule CCC[NH+](CCCC(N)=S)CC1CC1 to decrease its MR value.,CCC[NH+](CCCC=S)CC1CC1
QED,Modify the molecule O=C(CCc1ccccc1)NCC#CCOc1cccc(Br)c1 to have a higher QED value.,CCC(=O)NCC#CCOc1cccc(Br)c1
AtomNum,"The molecule consists of 27 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CCN(CC)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)C2c2ccc(C)cc2)cc1
BondNum,"There is a molecule consisting of 9 single bonds, 1 double bond, 6 rotatable bonds, and 23 aromatic bonds.",Cc1ccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(C)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",[NH3+]CC(C(=O)NC1(C(=O)[O-])CC1)c1ccccc1
AddComponent,Please add a carboxyl to the molecule CC1(C)CCC([NH2+]C2CCCC(C(=O)[O-])C2)C1.,CC1(C)CC([NH2+]C2CCCC(C(=O)[O-])C2)CC1C(=O)O
SubComponent,Substitute a halo in the molecule Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 with a carboxyl.,Cc1cc(C(=O)[OH])ccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1
DelComponent,Please remove a benzene ring from the molecule COC(=O)C(O)c1c(F)ccc(C)c1F.,COC(=O)C(O)(F)CF
LogP,Modify the molecule CC(C)C(C)S(=O)C(C)C(=O)c1ccc(F)c(F)c1 to have a higher LogP value.,CC(C)C(C)S(=O)C(C)C(=O)c1ccc(S)c(F)c1
MR,Modify the molecule Cc1cc(Br)ccc1NC(=O)NCCCCC(C)C to decrease its MR value.,CC(C)CCCCNC(=O)N(C)Br
QED,Modify the molecule CCOc1ccc(Cl)cc1NC(=O)NCc1ccccc1 to decrease its QED value.,CCOc1ccc(Cl)cc1NC(=O)NC(O)c1ccccc1
AtomNum,"The molecule contains 15 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Cc1nn(-c2noc(C3CC[NH2+]CC3)n2)c2ccccc12
BondNum,"There is a molecule consisting of 5 single bonds, 2 double bonds, 3 rotatable bonds, and 15 aromatic bonds.",COc1ccc(C=c2sc3nncn3c2=O)c(OC)c1
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 1 amide group, 2 amine groups, and 4 halo groups.",O=C(CCO)N1CCC(F)(F)CC1CNc1nc(C2=C[NH2+]C3NCC(Cl)C=C23)ncc1F
AddComponent,Please add a amine to the molecule COC(=O)CCCCCNC(=O)C12CC3CC(C1)CC(c1ccc(C)cc1)(C3)C2.,COC(=O)CCCCCNC(=O)C12CC3CC(CC(c4ccc(C)cc4)(C3)C1)C2N
SubComponent,Modify the molecule halo by substituting a CC(NC(=O)C(O)C(C)OC(C)(C)C)C(=O)N1CCCC(COCC(Cl)(Cl)Cl)N1 with a carboxyl.,CC(NC(=O)C(O)C(C)OC(C)(C)C)C(=O)N1CCCC(COCC(Cl)(Cl)C(=O)[OH])N1
DelComponent,Please remove a CCCCCOc1ccccc1C=NNC(N)=O from the molecule benzene ring.,CCCCCOC=NNC(N)=O
LogP,Please optimize the molecule O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)NO to have a higher LogP value.,CC(=O)NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-]
MR,Modify the molecule Cc1ccc(C(=O)OC(C)C)c(Br)c1NS(=O)(=O)c1nc2ncccn2n1 to increase its MR value.,CC(=O)c1c(C(=O)OC(C)C)ccc(C)c1NS(=O)(=O)c1nc2ncccn2n1
QED,Modify the molecule O=C(COc1ncnc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 to increase its QED value.,O=C(COc1ncnc2ccccc12)NS(=O)(=O)N1CCCC1
AtomNum,"The molecule consists of 9 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",O=[N+]([O-])c1nccn1CC[NH+]1CCOCC1
BondNum,"The molecule contains 12 single bonds, 1 double bond, 8 rotatable bonds, and 28 aromatic bonds.",COc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3-c3cc(OC)cc(OC)c3)c(C)o2)cc1
FunctionalGroup,The molecule has and 1 amide group.,CC(C)CCn1cc(C(=O)N2CCCC2c2cccc3c2OCCO3)nn1
AddComponent,Add a nitrile to the molecule c1ccc(CC2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1.,N#CC1CC(Cc2nc3ccccc3[nH]2)CCC1Cc1ccccc1
SubComponent,Modify the molecule O=C(NCC1CC1)c1cc(Cl)cc(Br)c1 by substituting a halo with a hydroxyl.,O=C(NCC1CC1)c1cc(O)cc(Br)c1
DelComponent,Remove a CSc1ccc2nc(N(CC[NH+](C)C)C(=O)CCSc3ccc(F)cc3)sc2c1 from the molecule halo.,CSc1ccc2nc(N(CC[NH+](C)C)C(=O)CCSc3ccccc3)sc2c1
LogP,Modify the molecule Cc1cc(OC(C)C(C)O)c(F)cc1[N+](=O)[O-] to have a higher LogP value.,Cc1cc(OC(C)C(C)(O)c2ccccc2)c(F)cc1[N+](=O)[O-]
MR,Modify the molecule CCc1ccc(N(C(C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(C)(=O)=O)cc1 to have a higher MR value.,CCc1ccc(N(C(C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(C)(=O)=O)cc1N
QED,Modify the molecule CCCCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccccc1O)N2 to have a higher QED value.,CCCCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccccc1)N2
AtomNum,"The molecule contains 15 carbon atoms, 1 nitrogen atom, and 1 bromine atom.",Brc1ccccc1NCC#Cc1ccccc1
BondNum,"The molecule consists of 11 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]C(c1cc(C)ccc1C)C(OC)OC
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 nitro group, and 1 halo group.",Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccnn2)c1F
AddComponent,Modify the molecule COc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1 by adding a nitrile.,COc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C#N
SubComponent,Modify the molecule halo by substituting a Cc1ccccc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 with a nitrile.,Cc1ccccc1SCC(=O)Nc1ccc(C#N)c([N+](=O)[O-])c1
DelComponent,Remove a amide from the molecule COc1cccc(C=C2SC(=S)N(CCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)c1.,COc1cccc(C=C2SC(=S)N(CCc3sc4c(c3C(N)=O)CCCC4)C2=O)c1
LogP,Please modify the molecule CC(C)CC1NC(=O)C(CC[NH3+])NC(=O)C(NC(=O)C(CC[NH3+])NC(=O)C(NC(=O)CC[NH3+])C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CC[NH3+])NC(=O)C(CC[NH3+])NC(=O)C(CC(C)C)NC1=O to increase its LogP value.,CC(C)CC1NC(=O)C(CC[NH3+])NC(=O)C(NC(=O)C(CC[NH3+])NC(=O)C(NC(=O)CC[NH3+])C(C)S)CCNC(=O)C(C(C)O)NC(=O)C(CC[NH3+])NC(=O)C(CC[NH3+])NC(=O)C(CC(C)C)NC1=O
MR,Modify the molecule Cc1ccc2c(c1)nc(CCS)n2CCC(C)C to have a higher MR value.,Cc1cc2nc(CCS)n(CCC(C)C)c2cc1C(=O)O
QED,Modify the molecule CCOc1ccc2[nH]c(=O)c(CN(C(=O)C(F)(F)F)C3CCCC3)cc2c1 to decrease its QED value.,CCOc1ccc2[nH]c(=O)c(CN(C(=O)C(F)(F)S)C3CCCC3)cc2c1
AtomNum,"The molecule contains 14 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCN(CC)C(=O)CCn1cncc1C1C[NH2+]CCO1
BondNum,"There is a molecule composed of 10 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(S(=O)(=O)OCC2CCC(=O)C2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, and 1 sulfone group.",Cc1[nH]nc(CO)c1S(=O)(=O)N1CC(C)CCC1C
AddComponent,Please add a nitrile to the molecule CC(C)CC(Cn1nnnc1-c1cc(Cl)sc1Cl)C(=O)[O-].,CC(CC#N)CC(Cn1nnnc1-c1cc(Cl)sc1Cl)C(=O)[O-]
SubComponent,Please substitute a CC1(C)OB(c2cccc(-c3cc(C(=O)N4CCC5(CC4)COc4ccc(CNC(=O)[O-])cc45)ccc3Cl)c2)OC1(C)C in the molecule halo with a thiol.,CC1(C)OB(c2cccc(-c3cc(C(=O)N4CCC5(CC4)COc4ccc(CNC(=O)[O-])cc45)ccc3S)c2)OC1(C)C
DelComponent,Modify the molecule halo by removing a CCN(Cc1ccc(Cl)s1)C(=O)CC1C[NH2+]C1.,CCN(Cc1cccs1)C(=O)CC1C[NH2+]C1
LogP,Please modify the molecule COC1=C(C)C(=O)c2c(cc3n2CC(COC(=O)CCl)(NC(C)=O)C3OC(=O)CCl)C1=O to decrease its LogP value.,COC1=C(C)C(=O)c2c(cc3n2CC(COC(=O)CS)(NC(C)=O)C3OC(=O)CCl)C1=O
MR,Please modify the molecule CC1(C)CCCC2(C)C1CCC1(C)OC3=C(CC12)C(=O)C=C(CO)C3=O to increase its MR value.,CC1(C)CC(c2ccccc2)CC2(C)C1CCC1(C)OC3=C(CC12)C(=O)C=C(CO)C3=O
QED,Modify the molecule CC(C)(C)OC(=O)C1CCCN2CC(C)(CCOS(C)(=O)=O)C(=O)N12 to decrease its QED value.,CC(C)(C)OC(=O)C1CCCN1CCCCOS(C)(=O)=O
AtomNum,"The molecule contains 17 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Nc1cn(-c2ccccc2)nc1NC(=O)N1CC2CCCC2C1
BondNum,"There is a molecule with 12 single bonds, 6 rotatable bonds, and 18 aromatic bonds.",c1ccc(CC2C[NH+](Cc3ccc(Oc4ncccn4)cc3)CCO2)cc1
FunctionalGroup,The molecule contains and 1 ketone group.,CC(=O)c1ccc(N2CCOCC2(C)C)cn1
AddComponent,Please add a benzene ring to the molecule Cc1ccc([N+](=O)[O-])cc1OCC(O)CC1CCCC1.,Cc1ccc([N+](=O)[O-])cc1OCC(O)CC1CCC(c2ccccc2)C1
SubComponent,Please substitute a hydroxyl in the molecule CSC1CCCCC1[NH2+]CCC(C)O with a halo.,CSC1CCCCC1[NH2+]CCC(C)Cl
DelComponent,Modify the molecule amide by removing a CC(=O)Oc1c2c(c(OC(C)=O)c3c1SC(=C1C(=O)N(c4ccccn4)N=C1C(N)=O)S3)SC(=C1C(=O)N(c3ccccn3)N=C1C(N)=O)S2.,CC(=O)Oc1c2c(c(OC(C)=O)c3c1SC(=C1C(=O)N(c4ccccn4)N=C1C(N)=O)S3)SC(=C1NN(c3ccccn3)C1=O)S2
LogP,Please optimize the molecule COCC[NH+](CCOC)Cc1cc(=O)oc2cc(OC)c(Cl)cc12 to have a lower LogP value.,COCC[NH+](CCOC)Cc1cc(=O)oc2cc(OC)ccc12
MR,Modify the molecule CCOc1cc(Cl)c(C=Nc2ccc(N3CCOCC3)cc2)cc1OC to have a lower MR value.,CCOc1ccc(C=Nc2ccc(N3CCOCC3)cc2)cc1OC
QED,Modify the molecule O=C1NCCc2[nH]c(-c3ccnc(-c4ccc(F)cc4)n3)cc21 to decrease its QED value.,N#Cc1ccc(-c2nccc(-c3cc4c([nH]3)CCNC4=O)n2)cc1
AtomNum,"Please generate a molecule consisting 27 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3cc(CC(=O)[O-])ccc3OCc3ccc(Cl)cc3Cl)CC2)cc1
BondNum,"Please generate a molecule composed of 15 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=C(NCCOc1ccc(F)c(F)c1)C1CC(=O)N(c2ccccc2Br)C1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amine group.",CCCOc1ccc(C2=NCC([NH3+])CN2)cc1
AddComponent,Add a benzene ring to the molecule Cc1c(Nc2ccc(Cl)c(Cl)c2)nc(C2CC2)nc1C(=O)[O-].,Cc1c(Nc2ccc(Cl)c(Cl)c2)nc(C2CC2c2ccccc2)nc1C(=O)[O-]
SubComponent,Modify the molecule halo by substituting a CC(C)[N+]#CC1=C(NC(=O)CCl)CC(C)(C)CC1(C)C with a aldehyde.,CC(=O)CC(=O)NC1=C(C#[N+]C(C)C)C(C)(C)CC(C)(C)C1
DelComponent,Modify the molecule halo by removing a COc1ccc(C23CCC(N(C(N)=S)c4cc(F)ccc4F)CC2[NH+](C)CC3)cc1OC.,COc1ccc(C23CCC(N(C(N)=S)c4ccccc4F)CC2[NH+](C)CC3)cc1OC
LogP,Modify the molecule Cc1cc(Br)c(NS(=O)(=O)Cc2ccccc2)cc1Cl to have a lower LogP value.,CC(=O)c1cc(C)c(Cl)cc1NS(=O)(=O)Cc1ccccc1
MR,Modify the molecule Cc1[nH]ncc1CNc1cnn(C2CCCC2)c1C to increase its MR value.,Cc1[nH]ncc1CNc1cnn(C2CCCC2C#N)c1C
QED,Please modify the molecule CCC(C)C(=O)Oc1ccc(C(C)(O)C(F)(F)F)cc1 to decrease its QED value.,CCC(C)C(=O)OC(C)(O)C(F)(F)F
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",N#CCc1ccc(NC(=O)c2ccc(O)c(O)c2)cc1
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",COc1ccc(CC(=O)NC(C)CC(N)=[NH+]O)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, 4 halo groups, and 1 nitrile group.",CC(C)(C#N)CCCNc1c(Cl)cccc1C(F)(F)F
AddComponent,Modify the molecule COc1ccc(NC(=O)CSc2nc3n(-c4ccccc4OC)[nH]cc-3c(=O)n2)c(OC)c1 by adding a benzene ring.,COc1ccc(NC(=O)CSc2nc3n(-c4cc(-c5ccccc5)ccc4OC)[nH]cc-3c(=O)n2)c(OC)c1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(C2NC(=O)CCC2[NH3+])cc1Cl with a nitro.,Cc1ccc(C2NC(=O)CCC2[NH3+])cc1NO
DelComponent,Modify the molecule amine by removing a COC(=O)c1c(NC(=O)c2cccnc2NC2CC[NH+](Cc3ccccc3)CC2)sc2c1CC[NH+](Cc1ccccc1)C2.,COC(=O)c1c(NC(=O)c2cccnc2C2CC[NH+](Cc3ccccc3)CC2)sc2c1CC[NH+](Cc1ccccc1)C2
LogP,Please modify the molecule CCCC(NC(=O)C1Oc2ccccc2OC1C)c1ccccc1 to decrease its LogP value.,CCCC(NC(=O)C1Oc2ccccc2OC1CO)c1ccccc1
MR,Modify the molecule CCC(C)N(C)c1cc(C#N)cc(C)n1 to increase its MR value.,CCC(C)N(C)c1cc(S)cc(C)n1
QED,Please modify the molecule COC1C(n2ccc(=O)[nH]c2=O)OC(COP=O)(COP(=O)(OC)OC)C1OP(O)(=S)OI to increase its QED value.,COC1C(n2ccc(=O)[nH]c2=O)OC(COP=O)(COP(=O)(OC)OC)C1OP(O)(O)=S
AtomNum,"The molecule contains 13 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(CC(=O)[O-])c1nncn1Cc1ccccc1
BondNum,"There is a molecule with 10 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCCC([NH2+]CC)c1ccc2c3c(cccc13)CC2
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amine group.",Cc1ccccc1CN1CCN(c2nc(N)nc3nc[nH]c23)Cc2ccccc21
AddComponent,Modify the molecule COc1cc(C=Nn2c(-c3cc4cc(Br)ccc4o3)nc3ccccc3c2=O)cc([N+](=O)[O-])c1OCC#N by adding a carboxyl.,COc1cc(C=Nn2c(-c3cc4c(C(=O)O)c(Br)ccc4o3)nc3ccccc3c2=O)cc([N+](=O)[O-])c1OCC#N
SubComponent,Substitute a nitrile in the molecule Cc1c(C#N)cnc(OC(F)(F)F)c1O with a thiol.,Cc1c(S)cnc(OC(F)(F)F)c1O
DelComponent,Modify the molecule CCC(C)NC(=O)CN1NC(c2ccc(OC)cc2)=CCC1=O by removing a amide.,CCC(C)N1NC(c2ccc(OC)cc2)=CCC1=O
LogP,Modify the molecule COC(=O)c1cc(-c2ccc(F)cc2F)sc1NC(=O)C1CCC(C)CC1OC(C)=O to have a lower LogP value.,COC(=O)c1cc(-c2ccc(O)cc2F)sc1NC(=O)C1CCC(C)CC1OC(C)=O
MR,Optimize the molecule COc1ccc(C(C)C)c(C(=O)CC[NH3+])c1O to have a higher MR value.,COc1ccc(C(C)C)c(C(=O)CC[NH3+])c1C(=O)[OH]
QED,Please optimize the molecule COc1ccc(CC[NH2+]CC(O)COc2c(C)cccc2C)cc1OC to have a lower QED value.,CCOCC(O)C[NH2+]CCc1ccc(OC)c(OC)c1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",O=C(NC1C[NH+](Cc2ccc(F)cc2)CC1CO)c1ccccc1
BondNum,"The molecule contains 11 single bonds, 1 double bond, 1 rotatable bond, and 11 aromatic bonds.",Cc1ccc2n1CCN(C(=S)Nc1ccccc1F)C2C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 amine group, 1 nitrile group, and 1 sulfone group.",N#Cc1ccc(NC(=O)C2CCS(=O)(=O)C2)c(N)c1
AddComponent,Add a benzene ring to the molecule CCOC(=O)NNC(=O)C1CC1c1ccc(C(F)(F)F)cc1.,CCOC(=O)NNC(=O)C1CC1c1ccc(C(F)(F)F)c(-c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a CC(C(=O)Nc1ccc(Br)cn1)n1nc(C(F)F)cc1C(F)F with a carboxyl.,CC(C(=O)Nc1ccc(C(=O)[OH])cn1)n1nc(C(F)F)cc1C(F)F
DelComponent,Please remove a C=CCN1C(=O)C(=NN(c2ccccc2)c2ccccc2)c2ccccc21 from the molecule benzene ring.,C=CCN1C(=O)C(=NNc2ccccc2)c2ccccc21
LogP,Please optimize the molecule CCc1ccc(C(NC(=O)COC(=O)COc2ccc(C#N)cc2)C(C)C)cc1 to have a higher LogP value.,CC(=O)c1ccc(OCC(=O)OCC(=O)NC(c2ccc(CC)cc2)C(C)C)cc1
MR,Modify the molecule CC(C)[NH2+]C(C)(CC(C)N(C)CCC(F)(F)F)C(=O)[O-] to decrease its MR value.,CC(C)[NH2+]C(C)(CC(C)N(C)CCC(F)F)C(=O)[O-]
QED,Modify the molecule CC(=O)N1CCN(C(=O)C(C)Oc2ccc(O)cc2)CC1 to decrease its QED value.,CC(=O)N1CCN(C(=O)C(CO)Oc2ccc(O)cc2)CC1
AtomNum,"There is a molecule with 23 carbon atoms, 3 oxygen atoms, and 1 chlorine atom.",CC1(C)CC(=O)C2C(C1)OC1CC(C)(C)CC(=O)C1C2c1ccc(Cl)cc1
BondNum,"The molecule contains 14 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",O=C(c1ccc(Cl)cc1O)N1CCC(C(F)(F)F)CC1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 amine groups, 1 halo group, and 2 sulfone groups.",CC(=Cc1ccc(Cl)cc1)S(=O)(=O)Nc1ccccc1S(N)(=O)=O
AddComponent,Modify the molecule O=C(Nc1cccc(CO)c1)c1cnn2ccncc12 by adding a carboxyl.,O=C(O)c1cc(CO)cc(NC(=O)c2cnn3ccncc23)c1
SubComponent,Modify the molecule halo by substituting a O=S(=O)(c1ccc(F)c(Cl)c1)N1CC(Oc2ncccc2Br)C1 with a carboxyl.,O=C([OH])c1ccc(S(=O)(=O)N2CC(Oc3ncccc3Br)C2)cc1Cl
DelComponent,Remove a benzene ring from the molecule COc1ccccc1C[NH+]1CCc2nc(-c3cccs3)ncc2C1.,COC[NH+]1CCc2nc(-c3cccs3)ncc2C1
LogP,Please optimize the molecule COc1ccc(NC(=O)Cc2n[nH]c(Cc3ccccc3F)n2)cc1 to have a lower LogP value.,COc1ccc(NC(=O)Cc2n[nH]c(Cc3ccccc3O)n2)cc1
MR,Please optimize the molecule CCCCC(=O)c1cc(Br)c[nH]c1=O to have a lower MR value.,CCCCC(=O)c1ccc[nH]c1=O
QED,Modify the molecule O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N(Cc1ccccc1)Cc1ccco1 to have a lower QED value.,O=C(CC(O)SCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N(Cc1ccccc1)Cc1ccco1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=C(Cn1cnc2sccc2c1=O)NCC1(O)CCC1
BondNum,"Please generate a molecule consisting 5 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Oc1ccc(Cl)cc1NSc1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amine groups, 5 halo groups, and 1 sulfone group.",Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCOCC(F)(F)F
AddComponent,Modify the molecule CC(C)Nc1cccc(F)c1NCc1nnnn1-c1ccccc1 by adding a benzene ring.,CC(C)Nc1cccc(F)c1NCc1nnnn1-c1ccccc1-c1ccccc1
SubComponent,Substitute a halo in the molecule Cc1ccc(CNC(=O)C[NH2+]C(c2ccc(F)cc2)C(C)(C)C)cc1F with a hydroxyl.,Cc1ccc(CNC(=O)C[NH2+]C(c2ccc(O)cc2)C(C)(C)C)cc1F
DelComponent,Please remove a benzene ring from the molecule C#Cc1ccccc1C(C(=O)Nc1ccc2ccccc2c1)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)CC)C(C)CC.,C#CC(C(=O)Nc1ccc2ccccc2c1)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)CC)C(C)CC
LogP,Please optimize the molecule O=C(C[NH2+]C1CC1)N1CC[NH+](Cc2ccsc2)CC1 to have a higher LogP value.,c1cc(C[NH+]2CCC([NH2+]C3CC3)C2)cs1
MR,Optimize the molecule Cc1cnn(CCOc2c(Cl)cccc2CO)c1 to have a higher MR value.,Cc1cnn(CCOc2c(Cl)cccc2CC#N)c1
QED,Modify the molecule CSCCCCCNc1ncc(F)cc1C(=O)[O-] to have a lower QED value.,CSCCCCCNc1ncc(S)cc1C(=O)[O-]
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",CS(=O)(=O)CCCOc1cccc(F)c1C#N
BondNum,"The molecule has 14 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CN1C(=O)Cc2cc(C([NH3+])CC3CCCC3)ccc21
FunctionalGroup,"There is a molecule with 2 thioether groups, and 1 sulfide group.",CSCc1noc(C[NH+]2CCCC(OCc3ccccn3)C2)n1
AddComponent,Please add a benzene ring to the molecule CCNC(NCCCOC1CCCC1)=[NH+]Cc1cccs1.,CCNC(NC(CCOC1CCCC1)c1ccccc1)=[NH+]Cc1cccs1
SubComponent,Please substitute a halo in the molecule CCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Br)cc3c1=O)C(=O)N2Cc1ccc2c(c1)OCO2 with a thiol.,CCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(S)cc3c1=O)C(=O)N2Cc1ccc2c(c1)OCO2
DelComponent,Modify the molecule amide by removing a Cc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCCCC4)ccn3n2)cc1C.,Cc1ccc(-c2cc3c(=O)n(C4CCCCC4)ccn3n2)cc1C
LogP,Please modify the molecule Cc1noc(-c2ccccc2C(=O)N2CC3CN(C(=O)OC(C)(C)C)CC3C2)n1 to increase its LogP value.,Cc1noc(-c23ccccC2C2CN(C(=O)OC(C)(C)C)CC2C3)n1
MR,Modify the molecule CCC([NH2+]CC1CCCOC1)c1ccc(Cl)cc1Cl to have a higher MR value.,CCC([NH2+]CC1CCCOC1)c1ccc(S)cc1Cl
QED,Modify the molecule CCC(C)[NH2+]CC(=O)Cc1cc(C)cc(C)c1 to have a lower QED value.,Cc1cc(C)cc(CC(=O)C[NH2+]C(C)C(C)N)c1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 2 fluorine atoms.",CC(O)(CCc1ccccc1)CNS(=O)(=O)c1c(F)cccc1F
BondNum,"Please generate a molecule consisting 17 single bonds, 1 double bond, 9 rotatable bonds, and 17 aromatic bonds.",CC[NH+](CC)CCNc1ncc2cc(C(C)c3ccccc3)c(=O)n(C3CCCC3)c2n1
FunctionalGroup,"The molecule has 2 benzene ring groups, and 2 halo groups.",CC=CC1CCC(C=CCCC2CCC(c3ccc(-c4cc(F)c(C)c(F)c4)cc3)CC2)CC1
AddComponent,Please add a hydroxyl to the molecule O=C([O-])C(CO)NC(=O)N1CCC2(CCOCC2)C1.,O=C([O-])C(CO)NC(=O)N1CCC2(CCOC(O)C2)C1
SubComponent,Substitute a C[NH+](C)CCNC(=O)NC=C1CCNC(=O)c2[nH]c3ccc(F)cc3c21 in the molecule halo with a nitro.,C[NH+](C)CCNC(=O)NC=C1CCNC(=O)c2[nH]c3ccc(NO)cc3c21
DelComponent,Remove a O=S(=O)(Nc1ccccc1OC(F)F)c1ccc(Cl)s1 from the molecule halo.,O=S(=O)(Nc1ccccc1OCF)c1ccc(Cl)s1
LogP,Please modify the molecule O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(C[NH+](CCO)Cc2ccc(F)c(F)c2)cc1 to decrease its LogP value.,O=C(C[NH+](CCO)Cc1ccc(F)c(F)c1)Nc1ccccc1[N+](=O)[O-]
MR,Please optimize the molecule CCc1ccc(C(Cl)c2ccc(Br)o2)s1 to have a lower MR value.,CCc1ccc(C(NO)c2ccc(Br)o2)s1
QED,Modify the molecule Cc1ccc2ccc(CCc3nc4c5cccnc5ccn4c3C)nc2n1 to decrease its QED value.,Cc1c(CCc2ccc3ccc(Cc4ccccc4)nc3n2)nc2c3cccnc3ccn12
AtomNum,"The molecule consists of 12 carbon atoms, and 3 nitrogen atoms.",c1cc(NC2CC2)cc(-n2ccnc2)c1
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",O=C(Nc1nc2c(s1)CN(C(=O)Cc1ccc(Cl)cc1)CC2)c1ccsc1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 5 amide groups, and 3 halo groups.",CC(C)C(NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)N3CCCC3)ccc2Cl)CC1)C(=O)Nc1ccc(F)c(NC(=O)c2cccc(F)c2)c1
AddComponent,Please add a aldehyde to the molecule CCC(C)(C)c1ccc2c(c1)N(Cc1cccc(C(=O)NCc3ccc(F)cc3)c1)C(=O)CO2.,CCC(C)(CCC=O)c1ccc2c(c1)N(Cc1cccc(C(=O)NCc3ccc(F)cc3)c1)C(=O)CO2
SubComponent,Modify the molecule halo by substituting a O=C([O-])C1C=CC=CC1(F)N1C(=O)CCC1=O with a aldehyde.,CC(=O)C1(N2C(=O)CCC2=O)C=CC=CC1C(=O)[O-]
DelComponent,Modify the molecule CCN(C(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)nc1)c1ccccc1 by removing a benzene ring.,CCNC(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)nc1
LogP,Optimize the molecule O=C(CCC1CCCCC1)Cc1cc(Cl)cc2c1OCC2 to have a higher LogP value.,O=C(CCC1CCCCC1c1ccccc1)Cc1cc(Cl)cc2c1OCC2
MR,Modify the molecule CC1(O)CCN(C(=O)c2ccc(C(N)=S)cn2)CC1 to increase its MR value.,CC1(O)CCN(C(=O)c2ccc(C(N)=S)cn2)CC1O
QED,Modify the molecule CCNC(NCc1nnc2n1CCCC2)=[NH+]Cc1ccc(C)cc1OCC(F)(F)F to decrease its QED value.,CCNC(NCc1nnc2n1CCCC2)=[NH+]Cc1ccc(C)cc1OCC(F)(F)C#N
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cn1ccc(NC2CCS(=O)(=O)c3ccc(F)cc32)n1
BondNum,"There is a molecule with 11 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",Cc1nc(NCC[NH+](C)C)cc(Nc2cccc(C(=O)[O-])c2)n1
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,Cc1cc(C[NH2+]C2CC2)ccc1N(C)CC1CC1C
AddComponent,Modify the molecule CCn1c(=O)c(C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c(N2CCOCC2)c2ccccc21 by adding a hydroxyl.,CCn1c(=O)c(C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c(N2CCOCC2O)c2ccccc21
SubComponent,Please substitute a halo in the molecule CC(C)(C)C(=O)OC(Cl)Cl with a aldehyde.,CC(=O)C(Cl)OC(=O)C(C)(C)C
DelComponent,Remove a benzene ring from the molecule COc1cc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3C)CC2)ccc1NC(=O)c1cccc(F)c1.,CON(NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)CC1)C(=O)c1cccc(F)c1
LogP,Modify the molecule Cc1ccc2ncc(C(=O)Nc3ccc(F)c(F)c3)c(=O)n2c1 to have a lower LogP value.,Cc1ccc2ncc(C(=O)N(F)F)c(=O)n2c1
MR,Modify the molecule C[NH2+]CCCCCC[NH+](CCOC)C(C)C to increase its MR value.,C[NH2+]C(CCCCC[NH+](CCOC)C(C)C)c1ccccc1
QED,Please modify the molecule CCCCn1c[n+](Cc2ccccc2)cc1CCC(=O)OC to decrease its QED value.,CCCCn1c[n+](C)cc1CCC(=O)OC
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 bromine atom.",CC(=O)NCCNc1ncc(Br)cc1C#N
BondNum,"The molecule contains 12 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCN(CC(O)c1ccc(C)cc1)C(=O)c1cccc([N+](=O)[O-])c1N
FunctionalGroup,"The molecule consists of 2 hydroxyl groups, and 1 ketone group.",CC(C)(C(=O)c1ccc2c(c1)N(CCO)CCN2CCO)[NH+]1CCOCC1
AddComponent,Add a hydroxyl to the molecule CCCc1nc(CC2CCCCCC2)oc1C(=O)OC.,CCCc1nc(CC2CCCC(O)CC2)oc1C(=O)OC
SubComponent,Please substitute a halo in the molecule CCOc1cc(C=C2SC(Nc3cc(Cl)ccc3Cl)=[NH+]C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 with a nitro.,CCOc1cc(C=C2SC(Nc3cc(NO)ccc3Cl)=[NH+]C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1
DelComponent,Please remove a c1ccc(-c2cccc3c2oc2c(-c4ccc5cc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)ccc5c4)cccc23)cc1 from the molecule benzene ring.,c1ccc2c(c1)-c1cccc3cc(-c4ccc5cc(-c6cccc7c6oc6ccccc67)ccc5c4)cc-2c13
LogP,Modify the molecule Cc1nc(Br)n2c1CC(C(=O)[O-])CC2 to have a lower LogP value.,O=C([O-])C1CCn2c(Br)nc(CO)c2C1
MR,Please modify the molecule CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCCc1cccs1 to increase its MR value.,CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CC(O)Cc1cccs1
QED,Optimize the molecule CCN1C(=O)CCCC1C[NH2+]C to have a lower QED value.,C[NH2+]CC1CCC1C
AtomNum,"There is a molecule consisting of 13 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 boron atom, and 1 silicon atom.",C=C1CCN(B(C)O)CC1O[Si](C)(C)C(C)(C)C
BondNum,"The molecule has 13 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCCOc1ccccc1C1NC(=O)NC(C(=O)[O-])=C1Cl
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 2 halo groups, 1 thioether group, and 1 sulfide group.",CC(C)c1ccccc1-n1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1ccc(Cl)cc1Cl
AddComponent,Add a benzene ring to the molecule CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)C[NH+](Cc2ccc(Cl)cc2)C3C(C)C)nc1.,CC(C)C1c2nc(NC(=O)Cc3ccc(S(=O)(=O)C(C)c4ccccc4)cn3)sc2C[NH+]1Cc1ccc(Cl)cc1
SubComponent,Substitute a Cc1nc(COc2ccc(C(=O)OCc3cccc(F)c3)cc2)cs1 in the molecule halo with a aldehyde.,CC(=O)c1cccc(COC(=O)c2ccc(OCc3csc(C)n3)cc2)c1
DelComponent,Remove a halo from the molecule O=C=NC1(c2ccc(C(F)(F)F)c3c2OCCO3)CC1.,O=C=NC1(c2ccc(C(F)F)c3c2OCCO3)CC1
LogP,Modify the molecule Cc1cc(NC(=O)N=Cc2c([O-])n(-c3ccccc3Cl)c(=O)[nH]c2=O)ccc1Br to decrease its LogP value.,CN(Br)C(=O)N=Cc1c([O-])n(-c2ccccc2Cl)c(=O)[nH]c1=O
MR,Please modify the molecule CC(C)CC(CCO)CN=C1NS(=O)(=O)c2ccccc21 to increase its MR value.,CC(C)CC(CCS)CN=C1NS(=O)(=O)c2ccccc21
QED,Optimize the molecule Nc1cc(C(F)(F)F)c(-c2nc(N3CCCOCC3)c3ocnc3n2)cn1 to have a lower QED value.,FC(F)(F)c1ccncc1-c1nc(N2CCCOCC2)c2ocnc2n1
AtomNum,"There is a molecule consisting of 33 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CCOc1cc(C2C(c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)ccc1OC(C)C
BondNum,"There is a molecule with 18 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(OCC(=O)NC2CCCN(C(=O)C=Cc3ccc(Cl)cc3Cl)C2)cc1
FunctionalGroup,"The molecule is composed of 1 amide group, and 1 sulfide group.",CC(Cc1ccsc1)NC(=O)C([NH3+])CCC(=O)[O-]
AddComponent,Add a benzene ring to the molecule C=C(C)C1CCC2(COC(=O)c3ccccc3)CCC3(C)C(CCC4C5(C)CC=C(OS(=O)(=O)C(F)(F)F)C(C)(C)C5CCC43C)C12.,C=C(C)C1CCC2(COC(=O)c3ccccc3)CCC3(C)C(CC(c4ccccc4)C4C5(C)CC=C(OS(=O)(=O)C(F)(F)F)C(C)(C)C5CCC43C)C12
SubComponent,Please substitute a halo in the molecule N#CC(NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1)c1ccc(F)cc1F with a aldehyde.,CC(=O)C(F)(F)COc1ncc(C(=O)NC(C#N)c2ccc(F)cc2F)cc1Cl
DelComponent,Please remove a amide from the molecule CN(CC1CCOCC1)C(=O)NC(=O)CCCC(=O)[O-].,CN(CC1CCOCC1)C(=O)CCC(=O)[O-]
LogP,Please modify the molecule CC(C(=O)Nc1nc2ccc(NC(=O)c3cscn3)cc2s1)c1ccc(OCC[NH+]2CCOCC2)c(Cl)c1 to decrease its LogP value.,CC(C(=O)Nc1nc2ccc(NC(=O)c3cscn3)cc2s1)c1ccc(OCC[NH+]2CCOCC2)c(C(=O)[OH])c1
MR,Please optimize the molecule O=c1c(Cl)c(NC2CCCCC2)cnn1-c1ccccc1 to have a higher MR value.,O=C([OH])c1c(NC2CCCCC2)cnn(-c2ccccc2)c1=O
QED,Modify the molecule Cc1noc(C)c1Cn1ccc(NC2OC2Cc2ccoc2)n1 to decrease its QED value.,Cc1noc(C)c1Cn1ccc(C2OC2Cc2ccoc2)n1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 1 nitrogen atom, and 1 fluorine atom.",CC[NH2+]C1CCC(c2cc(F)ccc2C)C1
BondNum,"Please generate a molecule consisting 18 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CC1=CCC(CC2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)C1(C)C
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,CC1(C)CC[NH+](Cc2ccccc2)CCC[NH2+]1
AddComponent,Add a benzene ring to the molecule O=C(NC=CC1CCCCC1)N1CCN(c2ccccc2)CC1.,O=C(NC=CC1CCCCC1)N1CCN(c2cccc(-c3ccccc3)c2)CC1
SubComponent,Please substitute a hydroxyl in the molecule CC=CC(C)C(C(C)C(C)CC(C)CC)C(O)(CC)CCC(C)CO with a nitro.,CC=CC(C)C(C(C)C(C)CC(C)CC)C(CC)(CCC(C)CO)NO
DelComponent,Modify the molecule CC(C)C(=O)N(CC[NH+](C)C)Cc1cc(-c2cccs2)on1 by removing a amide.,CCC(CC[NH+](C)C)c1cc(-c2cccs2)on1
LogP,Modify the molecule C[NH2+]C(c1cc(C)c(OC)c(C)c1)C(C)(C)C(=O)[O-] to decrease its LogP value.,CCC([NH2+]C)(OC)C(C)(C)C(=O)[O-]
MR,Please optimize the molecule COC(=O)c1sc(NN=Cc2ccc(OCc3ccccc3)c(OC)c2)nc1C to have a lower MR value.,COC(=O)c1sc(N=Cc2ccc(OCc3ccccc3)c(OC)c2)nc1C
QED,Modify the molecule CCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(C)c1 to increase its QED value.,CCCNC(=O)CSc1nnc(-c2ccncc2)n1C
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",Cc1ccc(C(NC(=O)Cn2ncc([O-])c(Cl)c2=O)C2CC2)cc1
BondNum,"There is a molecule composed of 20 single bonds, 5 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)N1CCN(C(=O)COC(=O)C(C)NS(=O)(=O)c2ccc(C)cc2)CC1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 2 amine groups.",CCOc1ccccc1Nc1cc(C)nc(Nc2ccc(C)cc2C)n1
AddComponent,Please add a amine to the molecule CC(C)Cc1coc(C2CCCC[NH+]2Cc2nnco2)n1.,CC(C)Cc1coc(C2CC(N)CC[NH+]2Cc2nnco2)n1
SubComponent,Substitute a halo in the molecule NS(=O)(=O)c1cc(=O)c(Br)c(C(F)F)[nH]1 with a carboxyl.,NS(=O)(=O)c1cc(=O)c(C(=O)[OH])c(C(F)F)[nH]1
DelComponent,Modify the molecule amine by removing a COc1nc(N)c2ncn(C3OC(C(O)=C(C)C)C(O)C3O)c2n1.,COc1ncc2ncn(C3OC(C(O)=C(C)C)C(O)C3O)c2n1
LogP,Please optimize the molecule COc1cc(OC)c(Cc2cccc3c2C(S(=O)(=O)c2ccccc2)C(C)S3(O)O)c(OC)c1 to have a lower LogP value.,COc1cc(OC)c(Cc2cccc3c2C([SH](=O)=O)C(C)S3(O)O)c(OC)c1
MR,Please modify the molecule Cc1c(Br)cc(C)c2c1nnn2C to decrease its MR value.,Cc1ccc(C)c2c1nnn2C
QED,Please modify the molecule CCC[NH2+]C(c1cncc(OCCC)c1)C(C)(CC)OC to decrease its QED value.,CCC[NH2+]C(c1cncc(OCCC)c1N)C(C)(CC)OC
AtomNum,"The molecule has 8 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 phosphorus atom.",CC(=Nc1ccccc1)OP=O
BondNum,"The molecule contains 118 single bonds, 21 double bonds, 59 rotatable bonds, and 84 aromatic bonds.",CCCCC(C)OC(=O)C(CCCNC(=[NH2+])NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCNC(=[NH2+])NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCNC(=[NH2+])NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCNC(=[NH2+])NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCNC(=[NH2+])NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCNC(=[NH2+])NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C([NH3+])CCCNC(=[NH2+])NC(=O)OCC1c2ccccc2-c2ccccc21
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 3 amine groups.",CCNC(NCC(C)[NH+]1CCOCC1C)=[NH+]Cc1ccccc1CC
AddComponent,Modify the molecule Cc1cccc(C(C)CNC(=O)NC2CCOC(c3cncn3C)C2)c1 by adding a benzene ring.,Cc1cccc(C(C)CNC(=O)NC2CCOC(c3cncn3C)C2)c1-c1ccccc1
SubComponent,Please substitute a O=C(Nc1cccc2ccsc12)N1CCC(O)C1 in the molecule hydroxyl with a aldehyde.,CC(=O)C1CCN(C(=O)Nc2cccc3ccsc23)C1
DelComponent,Remove a COC(=O)c1cccc(N(C(=O)[O-])c2ccc(N(C(=O)Nc3ccccc3)C(F)(F)F)cc2)c1 from the molecule halo.,COC(=O)c1cccc(N(C(=O)[O-])c2ccc(N(C(=O)Nc3ccccc3)C(F)F)cc2)c1
LogP,Modify the molecule CN(C)S(=O)(=O)CCn1cc2c3cc(O)ccc3oc3ccc(=O)c(c1[O-])c32 to increase its LogP value.,CC(=O)c1ccc2oc3ccc(=O)c4c([O-])n(CCS(=O)(=O)N(C)C)cc(c2c1)c34
MR,Modify the molecule CCCCCCc1c(C(C(=O)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)c2ccccc2n1C to have a lower MR value.,CCCCCCc1c(C(C)C(=O)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c2ccccc2n1C
QED,Please optimize the molecule COC(=O)c1c(I)[nH]cc(C(F)F)c1=O to have a higher QED value.,COC(=O)c1c(O)[nH]cc(C(F)F)c1=O
AtomNum,"There is a molecule composed of 17 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccoc3)ncn2)CC1
BondNum,"There is a molecule composed of 14 single bonds, and 2 rotatable bonds.",C[NH+]1CCC2C[NH+](CCI)CC2C1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, and 1 ester group.",CCOC(=O)C1(O)C(c2ccccc2)=C1c1ccccc1
AddComponent,Please add a hydroxyl to the molecule O=C(Nc1ccccc1N1CC[NH+](CC(=O)N2CC=CC2)CC1)c1csc(N2CCOCC2)n1.,O=C(Nc1ccccc1N1CC[NH+](CC(=O)N2CC=CC2)C(O)C1)c1csc(N2CCOCC2)n1
SubComponent,Please substitute a CC(O)CC(C)(C)CC1CCCCC1 in the molecule hydroxyl with a halo.,CC(F)CC(C)(C)CC1CCCCC1
DelComponent,Remove a benzene ring from the molecule O=C(NC1CC1c1ccccc1)Oc1ccc2c(ccn2CCCCc2ccncc2)c1.,O=C(NC1CC1)Oc1ccc2c(ccn2CCCCc2ccncc2)c1
LogP,Please optimize the molecule Cc1c(I)cccc1C1CCC([NH3+])C1 to have a higher LogP value.,[NH3+]C1CCC(c2cccc(I)c2Cc2ccccc2)C1
MR,Please modify the molecule CC([NH3+])C1(c2ccc(I)cc2)CCCC1 to increase its MR value.,CC([NH3+])C1(c2ccc(I)cc2)CCC(N)C1
QED,Please optimize the molecule CCS(=O)(=O)N1CCN(C(=O)NC2CCCN(c3cc(C)ccc3F)C2)CC1 to have a lower QED value.,CCS(=O)(=O)N1CCN(C(=O)NC2CCCN(c3cc(C)c(-c4ccccc4)cc3F)C2)CC1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 nitrogen atoms, 2 fluorine atoms, and 1 chlorine atom.",Cc1ccc2nc(C(C)Cl)n(-c3ccc(F)c(F)c3)c2c1
BondNum,"There is a molecule consisting of 16 single bonds, 1 double bond, and 1 rotatable bond.",O=C(C1CC(F)(F)CN1)N1CCCSCC1
FunctionalGroup,"The molecule has 1 amide group, and 1 sulfide group.",CC(NC(=O)CON=Cc1cccs1)c1ccco1
AddComponent,Add a amine to the molecule O=C(NC12CC3CC(C1)CC(c1nnc(-c4cccnc4)o1)(C3)C2)c1ccccn1.,Nc1ccncc1-c1nnc(C23CC4CC(CC(NC(=O)c5ccccn5)(C4)C2)C3)o1
SubComponent,Substitute a halo in the molecule Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)[O-] with a carboxyl.,Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3ccc(C(F)(F)C(=O)[OH])cc3)c2)ccc1OCC(=O)[O-]
DelComponent,Modify the molecule halo by removing a IP(c1ccccc1)(c1ccccc1)(c1ccccc1)C1CC1.,c1ccc([PH](c2ccccc2)(c2ccccc2)C2CC2)cc1
LogP,Optimize the molecule Nc1ccc(NCCc2ccc(F)cc2)c2cccnc12 to have a higher LogP value.,Nc1cc(-c2ccccc2)c(NCCc2ccc(F)cc2)c2cccnc12
MR,Modify the molecule O=C(Nc1cc(Cl)ncn1)c1cc(Br)c(Br)s1 to decrease its MR value.,O=C(Nc1ccncn1)c1cc(Br)c(Br)s1
QED,Modify the molecule CC(C)(C)[Si](Oc1cccc2c1CCC(O)(CCOC(=O)N(c1ccccc1)c1ccccc1)C2)(c1ccccc1)c1ccccc1 to decrease its QED value.,CC(C)(C)[Si](Oc1ccc(O)c2c1CCC(O)(CCOC(=O)N(c1ccccc1)c1ccccc1)C2)(c1ccccc1)c1ccccc1
AtomNum,"The molecule has 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Cc1ccc(C(=O)C[NH+]2CCCN(C)CC2)cc1C
BondNum,"Please generate a molecule consisting 19 single bonds, 1 double bond, 2 rotatable bonds, and 5 aromatic bonds.",CC1(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC1F
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, 1 ketone group, and 3 halo groups.",CCC(O)(CC)C(=O)CCC(F)(F)F
AddComponent,Please add a benzene ring to the molecule NC(=O)CC(NC(=O)C([NH3+])Cc1ccc(O)cc1)C(=O)NC(CCCC[NH3+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-].,NC(=O)CC(NC(=O)C([NH3+])Cc1ccc(O)cc1-c1ccccc1)C(=O)NC(CCCC[NH3+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]
SubComponent,Modify the molecule Cc1cc(C)c(O)c(C2=NNC(C)(C)C2)c1 by substituting a hydroxyl with a nitro.,Cc1cc(C)c(NO)c(C2=NNC(C)(C)C2)c1
DelComponent,Modify the molecule benzene ring by removing a CCN(C)C(=O)c1cnc(Nc2cccc(Cl)c2Cl)c2cccc(Cl)c12.,CCN(C)C(=O)c1cnc(N(Cl)Cl)c2cccc(Cl)c12
LogP,Please modify the molecule CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCSCc1ccccc1 to increase its LogP value.,CC(Cc1ccccc1)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCSCc1ccccc1
MR,Please modify the molecule CC(C)(CS)CSc1ccc(F)cc1 to increase its MR value.,CC(C)(CS)CSc1ccccc1
QED,Modify the molecule COc1ccc(C)cc1-n1c(SCC(=O)OC(C)C)nc2ccccc2c1=O to increase its QED value.,COCn1c(SCC(=O)OC(C)C)nc2ccccc2c1=O
AtomNum,"There is a molecule with 19 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",O=C(C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccc(Cl)cc1
BondNum,"There is a molecule composed of 33 single bonds, 2 double bonds, and 7 rotatable bonds.",O=C(CN1CC[NH+](CC(=O)N2CCCCC2)CC1)NCC1([NH+]2CCOCC2)CCCCC1
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,Cc1ccc2c(c1)nnn2-c1ccccc1
AddComponent,Please add a hydroxyl to the molecule CCCCC(Br)C(=O)Cl.,CCCCC(O)(Br)C(=O)Cl
SubComponent,Please substitute a COc1c(CC=C(C)C)c2oc3c(O)c(O)c(CC=C(C)C)c(CC=C(C)C)c3c([O-])c-2c(=O)c1[O-] in the molecule hydroxyl with a nitro.,COc1c(CC=C(C)C)c2oc3c(NO)c(O)c(CC=C(C)C)c(CC=C(C)C)c3c([O-])c-2c(=O)c1[O-]
DelComponent,Please remove a amine from the molecule CCCCN1C(=O)C(=Cc2c(Br)cnn2CC)NC1=S.,CCCCN1C(=O)C(=Cc2c(Br)cnn2CC)C1=S
LogP,Modify the molecule CCCOc1cccc(C2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2OCC)c1 to have a lower LogP value.,CCCOc1cccc(C2C(c3ccc(OC)cc3)=C(C(=O)[OH])C(=O)N2c2ccccc2OCC)c1
MR,Modify the molecule Cc1cn(C2CC(OP(=O)([O-])OCC3OC(n4cnc5c(N)ncnc54)C(O)C3OP(=O)([O-])OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O to increase its MR value.,Cc1cn(C2CC(OP(=O)([O-])OCC3OC(n4cnc5c(N)ncnc54)C(O)C3OP(=O)([O-])OCC3OC(n4c(-c5ccccc5)nc5c(N)ncnc54)C(O)C3O)C(COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O
QED,Optimize the molecule CN1CC[NH+](CC(=O)Nc2ccc(N=C(c3ccccc3)c3c(O)[nH]c4cc(Cl)ccc34)cc2N)CC1 to have a higher QED value.,CN1CC[NH+](CC(=O)Nc2ccc(N=C(c3ccccc3)c3c(O)[nH]c4ccccc34)cc2N)CC1
AtomNum,"Please generate a molecule with 22 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCC(OC(=O)c1ccc2nc(-c3ccc(C)cc3)[nH]c2c1)C(=O)Nc1nccs1
BondNum,"Please generate a molecule consisting 8 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",NC(=O)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,c1ccc(-n2nc3cc(-n4c5ccccc5n5c6ccccc6nc45)c4ccccc4c3n2)cc1
AddComponent,Modify the molecule CS(=O)(=O)c1ccc(NC(=O)NC2CC3CC3C2)cn1 by adding a hydroxyl.,CS(=O)(=O)c1ccc(NC(=O)NC2CC3CC3C2)c(O)n1
SubComponent,Please substitute a halo in the molecule CC(C)(C)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 with a carboxyl.,CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)[OH])c2Cl)cc1
DelComponent,Modify the molecule halo by removing a Cc1ccc(Nc2nc(NN)ccc2[N+](=O)[O-])cc1Br.,Cc1ccc(Nc2nc(NN)ccc2[N+](=O)[O-])cc1
LogP,Modify the molecule Cc1ccc(CN(C)C(C[NH3+])C2CC2)cc1Cl to decrease its LogP value.,Cc1ccc(CN(C)C(C[NH3+])C2CC2)cc1C(=O)[OH]
MR,Modify the molecule CCCCOc1cccc2c1NC(c1cccc(Cl)c1Cl)C1CC=CC21 to increase its MR value.,CCCCOc1cccc2c1NC(c1c(O)ccc(Cl)c1Cl)C1CC=CC21
QED,Please modify the molecule Cc1cc(C)nc(SC2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3ccccc3C#N)C2=O)n1 to decrease its QED value.,Cc1cc(C)nc(SC2=C(Nc3ccc(C#N)c(F)c3)C(=O)N(c3ccccc3C#N)C2=O)n1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, and 7 nitrogen atoms.",CC(C)CN(CC[NH3+])c1ccc2nnnn2n1
BondNum,"Please generate a molecule consisting 6 single bonds, 3 rotatable bonds, and 15 aromatic bonds.",C[n+]1c(N)n(CC(O)c2cccs2)c2ccccc21
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, 2 halo groups, and 1 nitrile group.",N#Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)nc1
AddComponent,Please add a benzene ring to the molecule CC1CCCC1c1nnc(C(Cl)c2ccccc2)o1.,CC1CCCC1c1nnc(C(Cl)c2cccc(-c3ccccc3)c2)o1
SubComponent,Please substitute a halo in the molecule CC(SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1cc(F)cc(F)c1 with a carboxyl.,CC(SCC(=O)Nc1ccc(C(=O)[OH])cc1)C(=O)NCc1cc(F)cc(F)c1
DelComponent,Remove a amine from the molecule COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3F)c2)cc1Br.,COc1ccc(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3F)c2)cc1Br
LogP,Please modify the molecule O=S(=O)(NC1CCCC[NH2+]C1)c1ccc2c(c1)OCO2 to decrease its LogP value.,O=S(=O)(NC1CCCC[NH2+]C1O)c1ccc2c(c1)OCO2
MR,Please optimize the molecule C[NH2+]CC=C(c1ccc(Br)s1)C(C)C to have a higher MR value.,C[NH2+]CC(N)=C(c1ccc(Br)s1)C(C)C
QED,Please modify the molecule O=C(c1ccnc(NCc2ccc(F)cc2)c1)N1CCC2(CC1)OCCO2 to decrease its QED value.,O=C(c1cc(NCc2ccc(F)cc2)ncc1O)N1CCC2(CC1)OCCO2
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]
BondNum,"There is a molecule with 17 single bonds, 2 double bonds, 8 rotatable bonds, and 22 aromatic bonds.",CCc1cc2c(N3CCN(C(=O)c4cccc(-c5ccccc5)c4)CC3)nc(OCCC(=O)[O-])nc2s1
FunctionalGroup,"The molecule has 1 benzene ring group, 3 amine groups, and 1 sulfone group.",CCNC(NC1CC(C)[NH+](Cc2ccccc2)C1)=[NH+]CC1(CS(C)(=O)=O)CC1
AddComponent,Add a carboxyl to the molecule CCN1C(=O)C(C)(C)c2cc(C(O)C(C)(C)C)ccc21.,CCN1C(=O)C(C)(C)c2c1ccc(C(O)C(C)(C)C)c2C(=O)O
SubComponent,Please substitute a halo in the molecule CCOC(=O)C(C=NC(C)(C)C)C(=O)c1cc(F)c(F)c(F)c1F with a carboxyl.,CCOC(=O)C(C=NC(C)(C)C)C(=O)c1cc(C(=O)[OH])c(F)c(F)c1F
DelComponent,Remove a benzene ring from the molecule CC(=Nn1c(COc2ccccc2C)nc2ccccc2c1=O)c1ccc(Br)cc1.,COCc1nc2ccccc2c(=O)n1N=C(C)c1ccc(Br)cc1
LogP,Modify the molecule Cc1cc(C(=O)NC(C)C)ccc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2C)CC1 to decrease its LogP value.,Cc1cc(C(=O)NC(C)C)ccc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3ccc(O)c(F)c3)ccc2C)CC1
MR,Modify the molecule CC(C)(C)OC(=O)N1CCC(C(=O)C2=CC=CCCC=C2F)CC1 to increase its MR value.,CC(C)(C)OC(=O)N1CCC(C(=O)C2=CC=CCCC=C2NO)CC1
QED,Please optimize the molecule CCC(Nc1nc(Cl)nc2c1ncn2C1C2CC2C2OC(C)(C)OC21)C1CC1 to have a higher QED value.,CCC(Nc1nc(O)nc2c1ncn2C1C2CC2C2OC(C)(C)OC21)C1CC1
AtomNum,"The molecule contains 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CC(=O)OCc1nc(C)nc(=O)n1Cc1ccc(Cl)cc1
BondNum,"Please generate a molecule composed of 7 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",COC(=O)c1nc(-c2ccc(SC)cc2)sc1C
FunctionalGroup,"The molecule contains 1 halo group, and 1 sulfone group.",Cn1nccc1S(=O)(=O)Br
AddComponent,Add a aldehyde to the molecule CCOc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1.,CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(C(=O)Nc2ccccc2OCCCC=O)cc1
SubComponent,Substitute a hydroxyl in the molecule COC(=O)c1cc(NCC2CCCCC2CO)cc[nH+]1 with a carboxyl.,COC(=O)c1cc(NCC2CCCCC2CC(=O)[OH])cc[nH+]1
DelComponent,Modify the molecule CCNC(NC1CC[NH+](Cc2ccccc2C)CC1)=[NH+]CC1(C(=O)N(C)C)CCCC1 by removing a amide.,CCNC(NC1CC[NH+](Cc2ccccc2C)CC1)=[NH+]CCCC1CCC1
LogP,Please optimize the molecule Nc1ncc(-c2cccc(F)c2)c(C2CCCN(C(=O)CCc3ccccc3)C2)n1 to have a lower LogP value.,Nc1ncc(-c2cccc(NO)c2)c(C2CCCN(C(=O)CCc3ccccc3)C2)n1
MR,Optimize the molecule N#Cc1c(F)cccc1NC(=O)C1CNc2ccccc21 to have a lower MR value.,N#Cc1c(F)cccc1NC(=O)C1Cc2ccccc21
QED,Modify the molecule CCC(CC)N(CCOC)C(=O)Cc1ccc(N)cn1 to have a lower QED value.,CCC(CC)N(CC(OC)c1ccccc1)C(=O)Cc1ccc(N)cn1
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",CCC1CCC(NC(=O)N(CCF)N=O)CC1
BondNum,"Please generate a molecule with 16 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",Cc1ccc([N+](=O)[O-])cc1NCC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1
FunctionalGroup,The molecule is composed of and 2 amide groups.,CC1=CC[NH+](CCNC(=O)C(C)NC(=O)C2CCCCC2)CC1
AddComponent,Please add a carboxyl to the molecule O=S(=O)(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Br)CC1.,O=C(O)c1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1Br
SubComponent,Substitute a halo in the molecule C[NH+](C)C(CNC(=O)Nc1cccc(-c2nnco2)c1)c1ccc(F)cc1 with a aldehyde.,CC(=O)c1ccc(C(CNC(=O)Nc2cccc(-c3nnco3)c2)[NH+](C)C)cc1
DelComponent,Please remove a COc1cc2c(cc1NC(=O)C1CCCC1)oc1ccccc12 from the molecule amide.,COc1cc2c(cc1C1CCC1)oc1ccccc12
LogP,Optimize the molecule NC(COc1ccccc1Cl)C(F)(F)F to have a lower LogP value.,NC(COCl)C(F)(F)F
MR,Optimize the molecule O=C(Cc1ccc(F)cc1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 to have a higher MR value.,O=C(Cc1ccccc1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1
QED,Optimize the molecule [NH3+]CC1Cc2ccccc2CN1C(=O)c1cc(NC(=O)CSc2ccccc2)ccc1-n1cc(C(=O)N(c2ccccc2)c2ccc(O)cc2)c2c1C=CCC2 to have a lower QED value.,[NH3+]CC1Cc2ccccc2CN1C(=O)c1cc(NC(=O)CSc2ccccc2)ccc1-n1cc(C(=O)N(O)c2ccccc2)c2c1C=CCC2
AtomNum,"The molecule has 8 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCOc1c[nH]c2ncnc(=O)c-2n1
BondNum,"The molecule is composed of 10 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",Cc1c(C)c(C)c(OC(=O)NC[NH3+])c(C)c1C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ketone group, 1 ester group, 2 amide groups, and 2 halo groups.",COC(=O)C1=NN(C(C)(C)CC(C)=O)C2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C12
AddComponent,Modify the molecule CC(=O)CSc1ccccc1C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1 by adding a benzene ring.,CC(=O)CSc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)c(C)c(-c2ccccc2)c1
SubComponent,Please substitute a hydroxyl in the molecule Cc1ccc(C(NC2=NS(=O)N=C2Nc2csc(S(=O)(=O)N(C)C(C)(C)C)c2O)C(C)(C)C)s1 with a carboxyl.,Cc1ccc(C(NC2=NS(=O)N=C2Nc2csc(S(=O)(=O)N(C)C(C)(C)C)c2C(=O)[OH])C(C)(C)C)s1
DelComponent,Modify the molecule hydroxyl by removing a CCCC1CC(O)C(OC(C)=O)C(COC(C)=O)O1.,CCCC1CCC(OC(C)=O)C(COC(C)=O)O1
LogP,Modify the molecule COc1ccc(CCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 to increase its LogP value.,COc1ccc(CC2CCN(C(=O)c3cccs3)C2)cc1
MR,Please optimize the molecule CCCCOC(=O)C1=C(C)O[B-](c2ccccc2)(c2ccccc2)N=C1C(Cl)(Cl)Cl to have a lower MR value.,CCCCOC(=O)C1=C(C)O[B-](c2ccccc2)N=C1C(Cl)(Cl)Cl
QED,Optimize the molecule N#Cc1cccc(S(=O)(=O)CCSC2COC2)c1 to have a lower QED value.,O=S(=O)(CCSC1COC1)c1ccccc1
AtomNum,"The molecule is composed of 28 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCOc1ccc(-c2csc(Nc3ccccc3C3C(C(=O)OC)=C(C)NC(C)=C3C(=O)OC)n2)cc1
BondNum,"Please generate a molecule composed of 14 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C)nc(Nc2cc(C)nc(C3CC[NH+](CC(N)=O)C3)n2)n1
FunctionalGroup,"The molecule consists of 1 amide group, 1 sulfide group, and 1 sulfone group.",O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc2c1OCO2
AddComponent,Add a benzene ring to the molecule CCC[NH+](CCCOc1ccccc1)CC(O)(Cn1cncn1)c1ccc(F)cc1F.,CCC[NH+](CCCOc1ccccc1)CC(O)(Cn1cncn1)c1c(F)cc(F)cc1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a COc1ccc(-c2nc3sc(=Cc4cn(-c5ccccc5)nc4-c4ccc(OC)c(Br)c4)c(=O)n3n2)cc1 with a carboxyl.,COc1ccc(-c2nc3sc(=Cc4cn(-c5ccccc5)nc4-c4ccc(OC)c(C(=O)[OH])c4)c(=O)n3n2)cc1
DelComponent,Modify the molecule benzene ring by removing a CCc1cc2c(=O)n(CC(=O)Nc3ccccc3F)cnc2s1.,CCc1cc2c(=O)n(CC(=O)NF)cnc2s1
LogP,Modify the molecule COc1ncccc1CSc1ccc(N)cc1Br to decrease its LogP value.,CC(=O)c1cc(N)ccc1SCc1cccnc1OC
MR,Modify the molecule Nc1ccc(F)cc1SCc1nc2ccccc2o1 to have a higher MR value.,Nc1cc(F)cc(SCc2nc3ccccc3o2)c1N
QED,Optimize the molecule CC(C)CC(O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)CC1 to have a lower QED value.,CC(C)CC(O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3ccc(S)cc23)CC1
AtomNum,"Please generate a molecule with 18 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",O=C(c1cc2cc(OC3CC[NH2+]C3)ccc2[nH]1)N1CCC(F)(F)CC1
BondNum,"Please generate a molecule consisting 13 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)C3c1ccccc1F
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 sulfone group.",CS(=O)(=O)N1CC2OCC(=O)N(Cc3ccncc3)C2C1
AddComponent,Please add a thiol to the molecule Cc1cc(C)c(C(=O)C(Br)CCl)c(C)c1.,Cc1cc(C)c(C(=O)C(Br)CCl)c(CS)c1
SubComponent,Please substitute a halo in the molecule Cc1ccc(N2C(=O)C(Sc3ccc(Cl)cc3)=C([NH+](C)C3CC[NH+](C)CC3)C2=O)cc1 with a thiol.,Cc1ccc(N2C(=O)C(Sc3ccc(S)cc3)=C([NH+](C)C3CC[NH+](C)CC3)C2=O)cc1
DelComponent,Remove a halo from the molecule COC(=O)CCN(CCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1.,COC(=O)CCN(CCc1ccc(F)cc1)C(=O)Nc1ccccc1
LogP,Modify the molecule Cc1nc2c(c(C(F)(F)F)n1)CC(C(=O)NC1CCCS(=O)(=O)C1)CC2 to have a lower LogP value.,Cc1nc2c(c(C(F)(F)S)n1)CC(C(=O)NC1CCCS(=O)(=O)C1)CC2
MR,Modify the molecule Cc1ccc(Oc2c(N3C(C)CC(C)C3C)cc(C(=O)[O-])cc2S(N)(=O)=O)cc1 to have a higher MR value.,Cc1ccc(Oc2c(N3C(C)CC(C)C3C)cc(C(=O)[O-])cc2S(N)(=O)=O)cc1-c1ccccc1
QED,Modify the molecule CCOC(=O)CN(C)C(=O)c1cccc(O)c1C to have a lower QED value.,CCOC(=O)CN(C)C(=O)c1ccccc1C
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC[NH2+]C(CC)(CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]
BondNum,"There is a molecule composed of 14 single bonds, 3 rotatable bonds, and 17 aromatic bonds.",Fc1ccc2ncnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 nitro group, 1 thioether group, and 2 sulfide groups.",O=C([O-])CCCSc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
AddComponent,Add a carboxyl to the molecule CC[NH+](CCNc1ccc(F)cn1)C1CC1.,CC[NH+](CCNc1cc(C(=O)O)c(F)cn1)C1CC1
SubComponent,Modify the molecule halo by substituting a COC(=O)C(C(=O)OC)C(C(=O)OC)(C(=O)OC)C(Br)(C(=O)OC)C(=O)OC with a carboxyl.,COC(=O)C(C(=O)OC)C(C(=O)OC)(C(=O)OC)C(C(=O)[OH])(C(=O)OC)C(=O)OC
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1.,Cc1nc2c(ccc3ccccc32)o1
LogP,Optimize the molecule CC(O)C([NH3+])C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)[O-] to have a higher LogP value.,CC(Br)C([NH3+])C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)[O-]
MR,Modify the molecule CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2Br)c1-c1ccc(F)c(F)c1 to decrease its MR value.,CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2NO)c1-c1ccc(F)c(F)c1
QED,Please modify the molecule Cc1ccc(NC(=O)NCc2cc(C)nc(N3CCOCC3)n2)c(C)c1 to decrease its QED value.,CCNC(=O)NCc1cc(C)nc(N2CCOCC2)n1
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)NC2CC[S+](=O)(O)C2)cc1
BondNum,"Please generate a molecule with 17 single bonds, 2 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",COCc1nc(OC)c2c(C)c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)sc2n1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, and 1 ester group.",CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CC[NH+]3CCOCC3)c12
AddComponent,Please add a benzene ring to the molecule CCCCC1CCCC(=O)C1c1ccccc1.,CCCCC1CCCC(=O)C1c1ccccc1-c1ccccc1
SubComponent,Substitute a N#Cc1ccccc1OCC(=O)NNC(=O)c1ccccc1N1CCCC1=O in the molecule nitrile with a halo.,O=C(COc1ccccc1Br)NNC(=O)c1ccccc1N1CCCC1=O
DelComponent,Remove a COc1cccc(-c2noc(C3=C(C)N(CCc4cccs4)C(=S)NC3c3ccccc3)n2)c1 from the molecule benzene ring.,COc1cccc(-c2noc(C3=C(C)N(CCc4cccs4)C(=S)NC3)n2)c1
LogP,Modify the molecule C[NH+](C)Cc1sccc1-c1ccc(N)c(O)c1 to have a higher LogP value.,C[NH+](C)Cc1sccc1-c1ccc(N)c(C#N)c1
MR,Please optimize the molecule CC1(C)Cc2cc(C(=O)[O-])ccc2NC1c1ccc(F)c(CC(=O)C2CCC2)c1 to have a higher MR value.,CC1(C)Cc2cc(C(=O)[O-])ccc2NC1c1cccc(CC(=O)C2CCC2)c1
QED,Modify the molecule COc1ccc(C(NN)c2cc(Br)cs2)c(C)c1 to decrease its QED value.,COc1ccc(C(NN)c2cc(C(=O)[OH])cs2)c(C)c1
AtomNum,"The molecule consists of 19 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",COc1cc2c(=O)c(C(=O)[O-])cn(Cc3ccc(Cl)cc3)c2cc1OC
BondNum,"The molecule has 9 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1CN(C)c1c(N)ccc(F)c1F
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 1 nitro group.",CCC(C)NC(=O)CON=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1
AddComponent,Add a hydroxyl to the molecule COc1ccc(-c2c(-c3ccc(SC)cc3)nc3ncccn23)c(F)c1.,COc1ccc(-c2c(-c3ccc(SC)cc3O)nc3ncccn23)c(F)c1
SubComponent,Substitute a CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCC[NH+](Cc3ccc4c(c3)[nH]c(=O)n4CCO)C2)c2ccncc21 in the molecule halo with a thiol.,CC(C)N(C)C(=O)c1cc(S)ccc1-n1cc(C2CCC[NH+](Cc3ccc4c(c3)[nH]c(=O)n4CCO)C2)c2ccncc21
DelComponent,Please remove a amide from the molecule O=C(C[NH+]1CCOCCOCCOCCOCC1)NCc1ccccc1.,c1ccc(C[NH+]2CCOCCOCCOCCOCC2)cc1
LogP,Please optimize the molecule Cc1nc(C2CCN(S(=O)(=O)c3c(C)sc4c(C)cccc34)C2)n[nH]1 to have a lower LogP value.,Cc1nc(C2CCN(S(=O)(=O)c3c(C)sc4c(C)c(C(=O)O)ccc34)C2)n[nH]1
MR,Modify the molecule Cc1c(C(=O)N2CCCC3(CCS(=O)(=O)C3)C2)csc1Br to increase its MR value.,Cc1c(C(=O)N2CCCC3(CCS(=O)(=O)C3)C2O)csc1Br
QED,Optimize the molecule CCOCc1ccccc1NC(C)c1cc(Br)cs1 to have a lower QED value.,CC(=O)c1csc(C(C)Nc2ccccc2COCC)c1
AtomNum,"There is a molecule with 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",Cc1cc(F)cc2c1OC(C)(C)CC(=O)N2
BondNum,"There is a molecule composed of 7 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1cccs1
FunctionalGroup,"There is a molecule composed of 1 amine group, and 1 sulfide group.",CNc1cc(CC(C)C)nc(-c2ccc(C(C)(C)C)s2)n1
AddComponent,Add a hydroxyl to the molecule Cc1cccc(Cc2c(C)nc3nc(SCC(=O)Nc4cccc(Cl)c4)nn3c2C)c1.,Cc1cccc(Cc2c(C)nc3nc(SC(O)C(=O)Nc4cccc(Cl)c4)nn3c2C)c1
SubComponent,Please substitute a halo in the molecule C=CC(=O)N(C)c1cccc(-c2cnc3c(c2)c(-c2ccnc(F)c2)cn3C(C)OC(=O)C([NH3+])CC(C)C)c1 with a aldehyde.,CC(=O)c1cc(-c2cn(C(C)OC(=O)C([NH3+])CC(C)C)c3ncc(-c4cccc(N(C)C(=O)C=C)c4)cc23)ccn1
DelComponent,Please remove a amide from the molecule CC(C)(C)c1nnsc1C(=O)NC1COC1.,CC(C)(C)c1(C2COC2)nns-1
LogP,Optimize the molecule CC(=O)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 to have a lower LogP value.,CC(=O)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccc(N)cc32)C(=O)[O-])cc1
MR,Please optimize the molecule COc1ccc(N(C(C)C(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC to have a lower MR value.,COc1ccc(N(C(C)COc2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC
QED,Please modify the molecule O=C(Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1)Nc1ccc2ccc(S(=O)(=O)Nc3ccc(O)c(C(=O)[O-])c3)cc2c1 to increase its QED value.,CC(=O)c1ccc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(S(=O)(=O)[O-])cc5c4)cc3c2)cc1C(=O)[O-]
AtomNum,"There is a molecule with 10 carbon atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",CSCCNc1nc2cccc(Cl)c2s1
BondNum,"Please generate a molecule with 25 single bonds, 5 double bonds, 11 rotatable bonds, and 22 aromatic bonds.",[NH3+]CCCC1C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccc([N+](=O)[O-])cc2)C(=O)N1C(=O)C([NH3+])Cc1ccc(O)cc1
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,Cc1ccc(C(C)(C)C=CC(C)(C)COC=O)cc1
AddComponent,Modify the molecule CN1CC[NH+](C(CNC(=O)NC2CC2)c2ccccc2Cl)CC1 by adding a benzene ring.,CN1CC[NH+](C(CNC(=O)NC2CC2)c2ccc(-c3ccccc3)cc2Cl)CC1
SubComponent,Please substitute a Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC(CO)C1 in the molecule hydroxyl with a halo.,Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC(CCl)C1
DelComponent,Remove a benzene ring from the molecule O=C([O-])C1CCCC(c2ccccc2)O1.,O=C([O-])C1CCCCO1
LogP,Please modify the molecule CCCCC(C)C1CCC2C3C(OCCCO)CC4CC(OCCCCO)CCC4(C)C3CC(OCCCO)C12C to increase its LogP value.,CCCCC(C)C1CCC2C3C(OCCCO)CC4CC(OCCCCO)CCC4(C)C3CC(OCCC)C12C
MR,Optimize the molecule C[NH+]=C(NCC[NH+]1CCSCC1)N(C)Cc1ccon1 to have a lower MR value.,C[NH+]=C(CC[NH+]1CCSCC1)N(C)Cc1ccon1
QED,Please optimize the molecule CCC(CC#N)N1CCC(CO)C1 to have a higher QED value.,CCC(CC#N)N1CCC(CBr)C1
AtomNum,"The molecule is composed of 32 carbon atoms, 2 sulfur atoms, and 2 bromine atoms.",CCCCCCCCCCCCc1csc(-c2sc(Br)c(CCCCCCCCCCCC)c2Br)c1
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 1 triple bond, 4 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C(=O)C(C#N)=Cc2c(F)cccc2Cl)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 thioether group, and 2 sulfide groups.",Cc1nc(CSc2ccccc2C(=O)NCCCOCC(C)C)cs1
AddComponent,Please add a benzene ring to the molecule CC(C)(C)c1c(C(=O)[O-])nnn1-c1ccc(F)cc1I.,CC(C)(Cc1ccccc1)c1c(C(=O)[O-])nnn1-c1ccc(F)cc1I
SubComponent,Substitute a halo in the molecule CCNC(=O)CNC(=O)COC(=O)CCc1ccc(F)cc1 with a nitro.,CCNC(=O)CNC(=O)COC(=O)CCc1ccc(NO)cc1
DelComponent,Modify the molecule CCn1nc(C)c(N)c1N1CCOC(C)(C)C1 by removing a amine.,CCn1nc(C)cc1N1CCOC(C)(C)C1
LogP,Please modify the molecule Cc1c(C(=O)N(C)c2ccc(O)cc2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4CC2C[NH+]2CCN(C)CC2)CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC3)n1C to increase its LogP value.,CC(=O)c1ccc(N(C)C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5CC3C[NH+]3CCN(C)CC3)CN(C(=O)Cc3ccc(C(=O)[O-])cc3)CC4)n(C)c2C)cc1
MR,Modify the molecule CC(C(=O)N1CCCCC1CCO)N1C(=O)c2ccccc2C1=O to increase its MR value.,CC(C(=O)N1CCCCC1CCO)N1C(=O)c2ccc(N)cc2C1=O
QED,Modify the molecule Cc1ccc(C([NH3+])CCO)c(N)c1 to increase its QED value.,Cc1ccc(C([NH3+])CCC#N)c(N)c1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",c1ccc(-c2coc(C3CCCN3c3ncnc4[nH]ccc34)n2)cc1
BondNum,"The molecule contains 16 single bonds, 1 double bond, and 8 rotatable bonds.",COC(=O)C(C)(CSC(C)CCO)[NH2+]C1CC1
FunctionalGroup,Please generate a molecule with and 1 halo group.,CC[NH2+]C(Cc1c(Br)c(C)nn1C)C(OCC)C(C)C
AddComponent,Please add a benzene ring to the molecule CCCn1c(SC(C)C(=O)NC2CCCC2)nc2ccccc2c1=O.,CC(Sc1nc2ccccc2c(=O)n1CCCc1ccccc1)C(=O)NC1CCCC1
SubComponent,Please substitute a N#Cc1cccnc1NCC(O)C[NH3+] in the molecule nitrile with a nitro.,[NH3+]CC(O)CNc1ncccc1NO
DelComponent,Remove a CC1C[NH+](CCCS(N)(=O)=O)CCO1 from the molecule amine.,CC1C[NH+](CCC[SH](=O)=O)CCO1
LogP,Modify the molecule C#CCn1c(C)c(C=c2sc3n(c2=O)C(c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 to decrease its LogP value.,C#CCn1c(C)c(C=c2sc3n(c2=O)C(OCC)C(C(=O)OCC)=C(C)N=3)c2ccccc21
MR,Please optimize the molecule CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2CS to have a lower MR value.,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2CNO
QED,Please optimize the molecule CCn1c(C)c(C(=O)C(C)N(Cc2ccc(F)cc2)C(=O)C2CC2)c(C)c1C(=O)OC to have a higher QED value.,CCn1c(C)c(C(=O)C(C)N(Cc2ccc(O)cc2)C(=O)C2CC2)c(C)c1C(=O)OC
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 1 oxygen atom, 1 sulfur atom, and 1 chlorine atom.",Cc1ccccc1CSc1cc(Cl)ccc1CO
BondNum,"Please generate a molecule consisting 18 single bonds, 4 double bonds, 4 rotatable bonds, and 24 aromatic bonds.",Cc1ccc(C(=O)C2C(C(=O)c3ccccc3)N3c4ccccc4C=CC3C23C(=O)Nc2ccc(F)cc23)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 3 amine groups.",C[NH+]=C(NCCCCOc1ccc(C)cc1)NCc1cc(OC)c(OC)c(OC)c1
AddComponent,Modify the molecule COc1ccc2c(c1N1CCC(C(N)=O)CC1)CC[NH2+]C2 by adding a amine.,NCOc1ccc2c(c1N1CCC(C(N)=O)CC1)CC[NH2+]C2
SubComponent,Please substitute a CCN(CC(=O)N(C)C)C(C[NH3+])c1ccc(F)cc1 in the molecule halo with a carboxyl.,CCN(CC(=O)N(C)C)C(C[NH3+])c1ccc(C(=O)[OH])cc1
DelComponent,Modify the molecule Cc1nc(C)c(C(=O)N2CC(C[NH3+])CC2C)o1 by removing a amide.,Cc1nc2(C)C(C)CC(C[NH3+])C2o1
LogP,Modify the molecule COc1ccc(-n2c(SCC(=O)NC(C)C)nnc2-c2ccccc2)cc1OC to have a higher LogP value.,COc1ccc(-n2c(SC(C(=O)NC(C)C)c3ccccc3)nnc2-c2ccccc2)cc1OC
MR,Optimize the molecule CC(C)[NH2+]Cc1nc(-c2ccccn2)no1 to have a higher MR value.,CC(C)([NH2+]Cc1nc(-c2ccccn2)no1)c1ccccc1
QED,Please modify the molecule C[NH+]1CCC([NH+]2CCC3(CCC[NH+](CC4CC4)C3)C2)CC1 to increase its QED value.,C[NH+]1CCC([NH+]2CCC3(C[NH+](CC4CC4)CCC3c3ccccc3)C2)CC1
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CCNC(=O)CCN1C(=O)C(=O)c2cc(C)cc(F)c21
BondNum,"There is a molecule composed of 4 single bonds, 2 rotatable bonds, and 17 aromatic bonds.",BOc1cccc(-c2nc([CH])cc3ccccc23)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 1 amine group, and 1 nitrile group.",Cc1ccc(C(=O)NCCNc2cccnc2C#N)cc1
AddComponent,Please add a amine to the molecule O=C([O-])C1CCCC1C(=O)c1ccc(-c2ccc(Nc3nc4cc(C(F)(F)F)ccc4o3)c(F)c2)cc1.,NC1(C(=O)[O-])CCCC1C(=O)c1ccc(-c2ccc(Nc3nc4cc(C(F)(F)F)ccc4o3)c(F)c2)cc1
SubComponent,Substitute a CCN(C1CC1)S(=O)(=O)c1cc(Cl)cc(CCl)c1F in the molecule halo with a aldehyde.,CC(=O)c1cc(CCl)c(F)c(S(=O)(=O)N(CC)C2CC2)c1
DelComponent,Modify the molecule COCC(O)Cc1ccnc2c([N+](=O)[O-])cccc12 by removing a hydroxyl.,COCCCc1ccnc2c([N+](=O)[O-])cccc12
LogP,Modify the molecule NC(=O)NCCCC1NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CCCNC(N)=O)NC(=O)C(CCCC[NH3+])NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C([NH3+])CCC[NH+]=C(N)N)CSSCC(C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-])NC1=O to increase its LogP value.,N#Cc1ccc(CC2NC(=O)C3CCCN3C(=O)C(CCCNC(N)=O)NC(=O)C(CCCC[NH3+])NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(NC(=O)C(Cc3ccc4ccccc4c3)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C([NH3+])CCC[NH+]=C(N)N)CSSCC(C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-])NC(=O)C(CCCNC(N)=O)NC(=O)C(CCC[NH+]=C(N)N)NC2=O)cc1
MR,Modify the molecule CC1C[NH+](CC2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)CC(C)O1 to have a higher MR value.,CC1C[NH+](CC2(O)CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)CC(C)O1
QED,Modify the molecule CNc1cc(OC2CCC(C)(C)CC2)nc(C(C)C)n1 to have a lower QED value.,Cc1cc(OC2CCC(C)(C)CC2)nc(C(C)C)n1
AtomNum,"The molecule has 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 2 chlorine atoms.",COc1cc(Cl)c(C=NNC(=O)C(OC)c2ccc(Cl)cc2)cc1OC
BondNum,"The molecule has 17 single bonds, 2 double bonds, 7 rotatable bonds, and 23 aromatic bonds.",O=C(COc1ccccc1)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(F)cc1)C1CC1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 halo group.",CCOC1(C([NH3+])Cc2cc(F)ccc2C)CCCCCC1
AddComponent,Modify the molecule O=C1OC2=CC(OC3OC(CO)C(O)C(O)C3O)CCC2=C1C(O)c1ccccc1 by adding a benzene ring.,O=C1OC2=CC(OC3OC(CO)C(O)C(O)C3O)CCC2=C1C(O)c1ccc(-c2ccccc2)cc1
SubComponent,Please substitute a hydroxyl in the molecule COC(=O)C12CCC(C)(O1)C(O)C2 with a thiol.,COC(=O)C12CCC(C)(O1)C(S)C2
DelComponent,Remove a benzene ring from the molecule CC(c1ccncc1)N1Cc2cccnc2N(c2ccccc2S(C)(=O)=O)C1=O.,CC(c1ccncc1)N1Cc2cccnc2N(S(C)(=O)=O)C1=O
LogP,Modify the molecule OC1(CNc2cc(F)ccc2Cl)CCCC1 to have a lower LogP value.,OC1(CNc2ccccc2Cl)CCCC1
MR,Please optimize the molecule CC(C)c1cc(C(C)C)c(CC(=O)[N-]S(=O)(=O)Oc2c(C(C)C)cc(SC#N)cc2C(C)C)c(C(C)C)c1 to have a higher MR value.,CC(=O)Sc1cc(C(C)C)c(OS(=O)(=O)[N-]C(=O)Cc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
QED,Modify the molecule Cc1ccn2cc(C(=O)Nc3cccc(Cl)c3C)[nH+]c2c1 to have a lower QED value.,Cc1ccn2cc(C(=O)Nc3cccc(S)c3C)[nH+]c2c1
AtomNum,"There is a molecule consisting of 36 carbon atoms, 6 oxygen atoms, and 6 nitrogen atoms.",Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)C(C)C)CC1
BondNum,"The molecule is composed of 23 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 5 aromatic bonds.",N#CC1(NC(=O)C[NH+]2CCCC(c3nnc4n3CCCCC4)C2)CCCC1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, 1 sulfide group, and 1 sulfone group.",CCCS(=O)(=O)NC(=O)c1csc(C[NH3+])n1
AddComponent,Modify the molecule CCNC(=[NH+]Cc1c(C)noc1C)N1CCC2(CCOC2)C1 by adding a benzene ring.,CCNC(=[NH+]C(c1ccccc1)c1c(C)noc1C)N1CCC2(CCOC2)C1
SubComponent,Substitute a CC(C)(C)c1cc(NC(=O)Nc2cnc(Oc3ccc(-c4cnc(N5CCCC5=O)s4)cc3)nc2)n(-c2ccccc2F)n1 in the molecule halo with a nitrile.,CC(C)(C)c1cc(NC(=O)Nc2cnc(Oc3ccc(-c4cnc(N5CCCC5=O)s4)cc3)nc2)n(-c2ccccc2C#N)n1
DelComponent,Please remove a Nc1cccc(Cl)c1Sc1ccc(C(F)(F)F)cn1 from the molecule amine.,FC(F)(F)c1ccc(Sc2ccccc2Cl)nc1
LogP,Please optimize the molecule N#CC(=Cc1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 to have a lower LogP value.,N#CC(=Cc1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)C(=O)Nc1ccccc1
MR,Modify the molecule CCOC(=O)c1c(CCCCl)oc2c(OC)cc(CCC(=O)NC(C)CCCC(C)(C)O)cc12 to have a lower MR value.,CCOC(=O)c1c(CCCCl)oc2c(OC)cc(CCC(=O)NC(C)CCCC(C)C)cc12
QED,Modify the molecule COCCNC(=O)CC(C#N)c1cc(C)ccc1C to decrease its QED value.,COCCNC(=O)CC(O)c1cc(C)ccc1C
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",CN1CCC(C(=O)NC(CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)CC1=O
BondNum,"The molecule consists of 10 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCCc1nc(NCC)c(C)c(Oc2ccccc2Br)n1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 hydroxyl groups, 1 amide group, and 1 nitrile group.",N#CC1CCCN1C(=O)C1CC(c2ccc(O)c(O)c2)C[NH2+]1
AddComponent,Please add a benzene ring to the molecule CCC[NH+]1CCC(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)CC1.,CCC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)c3c(=O)n4c(nc3c2)CCCCCC4)CC1
SubComponent,Please substitute a halo in the molecule O=C([O-])c1ccc2oc(-c3cc(F)c(Cl)cc3F)nc2c1 with a aldehyde.,CC(=O)c1cc(-c2nc3cc(C(=O)[O-])ccc3o2)c(F)cc1Cl
DelComponent,Remove a CCCCCC=CCCCC=CCCC=CCCC(C(N)=O)C1CC1 from the molecule amide.,CCCCCC=CCCCC=CCCC=CCCC1CC1
LogP,Optimize the molecule COc1ccccc1CCc1cc(Br)c([O-])c(Br)c1 to have a lower LogP value.,COc1cc(N)ccc1CCc1cc(Br)c([O-])c(Br)c1
MR,Please modify the molecule Cc1cc(C(=O)NNC(=O)c2cc(F)ccc2Br)c(C)n1-c1ccc(F)cc1 to increase its MR value.,Cc1cc(C(=O)NNC(=O)c2ccccc2Br)c(C)n1-c1ccc(F)cc1
QED,Modify the molecule CCOC(CNC(=O)CC1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)OCC to have a lower QED value.,CCOC(CNC(=O)CC1CSc2nc3c(cnn3-c3ccc(F)cc3-c3ccccc3)c(=O)n21)OCC
AtomNum,"The molecule is composed of 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 2 chlorine atoms.",COC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)sc1C(C)=O
BondNum,"The molecule has 18 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C=CC(=O)N(C(=O)c2cc(F)ccc2F)C2CC[NH2+]CC2)cc1OC
FunctionalGroup,"The molecule contains 4 ester groups, 2 thioether groups, 1 sulfide group, and 1 disulfide group.",C=C(C)C(=O)OCCOC(=O)CCSSCCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
AddComponent,Please add a aldehyde to the molecule CC(O)CCCNS(=O)(=O)c1ccc(Br)c(N)c1.,CC(O)C(CC=O)CCNS(=O)(=O)c1ccc(Br)c(N)c1
SubComponent,Please substitute a halo in the molecule CC(=O)Nc1ccc(SC(C)C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1 with a nitro.,CC(=O)Nc1ccc(SC(C)C(=O)Nc2nc3ccc(OC(F)(F)NO)cc3s2)cc1
DelComponent,Please remove a O=C1C(c2ccccc2)=C(N2CCc3ccccc32)C(=O)N1C1CCCCCC1 from the molecule benzene ring.,O=C1C=C(N2CCc3ccccc32)C(=O)N1C1CCCCCC1
LogP,Please optimize the molecule CCC(C)NC(=O)C(C)[NH+](C)CC1CC(O)C1 to have a lower LogP value.,CCC(C)NC(=O)C(C)(O)[NH+](C)CC1CC(O)C1
MR,Please modify the molecule N#Cc1c(Cl)nc(N2CCC([NH+]3CCOCC3)CC2)c(C#N)c1C1CC1 to increase its MR value.,N#Cc1c(S)nc(N2CCC([NH+]3CCOCC3)CC2)c(C#N)c1C1CC1
QED,Modify the molecule CCCOc1ccc(NC(=O)C(C)(C)C)cc1C#N to have a lower QED value.,CCCOc1ccc(NC(=O)C(C)(C)C)cc1S
AtomNum,"The molecule has 21 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC1Cc2ccccc2N1S(=O)(=O)CCNC(=O)CCCc1ccccc1
BondNum,"The molecule is composed of 20 single bonds, and 2 rotatable bonds.",CC([NH3+])C1CC[NH+](C2CCCC(C(C)(C)C)CC2)C1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, and 5 halo groups.",COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)c(F)c1F
AddComponent,Modify the molecule Cc1cccc(C)c1OCC(=O)OC(C)C(=O)NC1CCCCC1 by adding a amine.,Cc1cccc(C)c1OCC(=O)OC(C)C(=O)NC1(N)CCCCC1
SubComponent,Modify the molecule halo by substituting a O=C(CS(=O)CCCOc1ccc(Cl)cc1)NC1CCCC1 with a nitrile.,N#Cc1ccc(OCCCS(=O)CC(=O)NC2CCCC2)cc1
DelComponent,Remove a Cc1cc(F)ccc1Nc1n[nH]c2cc(-c3nn(C4CCC([NH+]5CCOCC5)CC4)c4ncnc(N)c34)ccc12 from the molecule halo.,Cc1ccccc1Nc1n[nH]c2cc(-c3nn(C4CCC([NH+]5CCOCC5)CC4)c4ncnc(N)c34)ccc12
LogP,Modify the molecule CCOCCCNC(=O)C(C)C1C[NH2+]C1 to have a higher LogP value.,CCOCCCC1(C)C[NH2+]C1
MR,Please modify the molecule Cc1ccc(Nc2cc(NCCc3c(C)[nH]c4c(F)ccc(C)c34)ncn2)nc1 to increase its MR value.,Cc1ccc(Nc2cc(NCCc3c(C)[nH]c4cccc(C)c34)ncn2)nc1
QED,Modify the molecule CCCN(CCC)C(=O)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 to have a lower QED value.,CCCN(CCC)C(=O)C1CCN(C(=O)c2ccc(S)c(F)c2)CC1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",COc1cc(N2CCN(C3C[NH2+]C3)CC2)cc[nH+]1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",CNC(=O)c1ccc(Sc2ccc3c(c2)CCC3)c(N)c1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 1 amine group.",CCC(C)[NH2+]CCNc1ccccc1OCc1ccccc1
AddComponent,Please add a hydroxyl to the molecule CC[NH2+]C(C)c1nnc(COc2ccc(Cl)cc2)s1.,CC(O)[NH2+]C(C)c1nnc(COc2ccc(Cl)cc2)s1
SubComponent,Modify the molecule halo by substituting a Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)Cc1cc2c(cc1Br)OCCO2 with a thiol.,Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)Cc1cc2c(cc1S)OCCO2
DelComponent,Please remove a amide from the molecule Cc1nn(C)c2sc(C(=O)NC(C)C(=O)N3CCC([NH3+])C(C)(C)C3)cc12.,Cc1nn(C)c2sc(C(=O)N3CCC([NH3+])C(C)(C)CC3)cc12
LogP,Modify the molecule CC1=CCCC(O[Si](C)(C)C(C)(C)C)C(CO)OC(COCc2ccccc2)C1 to have a lower LogP value.,COCC1CC(C)=CCCC(O[Si](C)(C)C(C)(C)C)C(CO)O1
MR,Please optimize the molecule OC1CCC(C[NH+]2C=CC(=C3c4ccc(F)cc4Sc4ccc(Cl)cc43)CC2)CC1 to have a higher MR value.,N#CC1CCC(C[NH+]2C=CC(=C3c4ccc(F)cc4Sc4ccc(Cl)cc43)CC2)CC1
QED,Modify the molecule COCCN(CC(C)(CO)[NH2+]C1CC1)C(C)C to have a lower QED value.,COCCN(CC(C)(CO)[NH2+]C1CC1)C(C)CO
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",O=C([O-])c1ccncc1N(CCO)CCO
BondNum,"There is a molecule composed of 14 single bonds, 4 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",C=CCSc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)s1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amine group, and 1 sulfone group.",COc1cccc(NC(=S)N(Cc2ccccc2)C2CCS(=O)(=O)C2)c1
AddComponent,Please add a amine to the molecule CCC1[NH2+]C(CC(C)C)N(C2CCCCC2(C)C)C1=O.,CCC1[NH2+]C(CC(C)C)N(C2CCCC(N)C2(C)C)C1=O
SubComponent,Modify the molecule halo by substituting a Cc1ccc(C)c(Nc2nncc(Nc3ccccc3F)n2)c1 with a aldehyde.,CC(=O)c1ccccc1Nc1cnnc(Nc2cc(C)ccc2C)n1
DelComponent,Please remove a benzene ring from the molecule CC(NC(=O)CCCNC(=O)c1ccsc1)(C(=O)[O-])c1ccc(F)cc1.,CC(F)(NC(=O)CCCNC(=O)c1ccsc1)C(=O)[O-]
LogP,Please modify the molecule CS(=O)(=O)N(CCCC(=O)NCc1cccc2ccccc12)c1ccc2c(c1)OCO2 to increase its LogP value.,CS(=O)(=O)N(CCCc1cccc2ccccc12)c1ccc2c(c1)OCO2
MR,Optimize the molecule [NH3+]CCN1C(=O)c2ccc(OCc3cccc(F)c3)cc2C1=O to have a higher MR value.,[NH3+]CCN1C(=O)c2ccc(OCc3ccccc3)cc2C1=O
QED,Modify the molecule CC1(C)C=Nc2c(O)c3cc(S(=O)(=O)N4CCCC4CO)ccc3n2C1 to have a lower QED value.,CC1(C)C=Nc2c(O)c3cc(S(=O)(=O)N4C(CO)CCC4c4ccccc4)ccc3n2C1
AtomNum,"The molecule contains 20 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CC(C)OC1CC(NC(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)C1(C)C
BondNum,"The molecule is composed of 10 single bonds, 5 rotatable bonds, and 23 aromatic bonds.",c1cncc(-c2ccc(CNc3nc(C4CCCC4)nc4ccccc34)cc2)c1
FunctionalGroup,"The molecule consists of 3 hydroxyl groups, 1 ketone group, and 1 amine group.",CC1(C)CC(=O)C(C=NC2=CC(OCC3OC(n4ccc(N)nc4=O)C(O)C3O[P+](=O)O)=CCC2)=C(O)C1
AddComponent,Add a hydroxyl to the molecule CCOC(=O)C(Cc1c(OCC)noc1-c1nnn(C)n1)(NC(C)=O)C(=O)OCC.,CCOC(=O)C(Cc1c(OC(C)O)noc1-c1nnn(C)n1)(NC(C)=O)C(=O)OCC
SubComponent,Modify the molecule halo by substituting a CCC[NH2+]Cc1cc(F)ccc1OCCOCCOC with a aldehyde.,CC(=O)c1ccc(OCCOCCOC)c(C[NH2+]CCC)c1
DelComponent,Please remove a benzene ring from the molecule CC([NH3+])Cc1ccc(OCc2cccs2)cc1.,CC([NH3+])COCc1cccs1
LogP,Optimize the molecule COc1ccc(-c2nsc(C)c2C(=O)NC(N)=[NH+]Cc2cc(Cl)cc(Cl)c2)cc1 to have a lower LogP value.,COc1nsc(C)c1C(=O)NC(N)=[NH+]Cc1cc(Cl)cc(Cl)c1
MR,Please modify the molecule CCCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nc2ccccc2c1=O to increase its MR value.,CCCn1c(SCC(=O)Nc2ccc(C(=O)[OH])cc2Cl)nc2ccccc2c1=O
QED,Modify the molecule COC(c1ccccc1)n1nnnc1C(=O)Nc1cc(OCC(O)COc2ccc(C(C)=O)c(O)c2CCC(F)(F)F)c(C#N)cc1C to decrease its QED value.,COC(c1ccccc1)n1nnnc1C(=O)Nc1cc(OCC(O)COc2ccc(C(C)=O)c(O)c2CCC(F)(F)F)c(S)cc1C
AtomNum,"There is a molecule consisting of 9 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CC=C(C)c1nc(C(=O)[O-])c(N)nc1N
BondNum,"Please generate a molecule consisting 16 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 11 aromatic bonds.",N#CC1(c2c(F)cc(N3CC(CNc4ncon4)OC3=O)cc2F)CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 nitro group, and 2 halo groups.",O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCC[NH2+]CC1
AddComponent,Add a amine to the molecule COc1ccc(-c2nnc3ccc(SCc4ccc(Br)cc4)nn23)cc1.,NCOc1ccc(-c2nnc3ccc(SCc4ccc(Br)cc4)nn23)cc1
SubComponent,Modify the molecule halo by substituting a COc1sc(C[NH2+]CC2(C)CCC2)cc1Br with a nitro.,COc1sc(C[NH2+]CC2(C)CCC2)cc1NO
DelComponent,Please remove a benzene ring from the molecule CC(=O)c1cccc(NC(=O)Nc2ccc(-c3noc(C)n3)cc2)c1.,CC(=O)NC(=O)Nc1ccc(-c2noc(C)n2)cc1
LogP,Please modify the molecule Clc1ccc(CCCC[NH+]2CCC(Oc3ccc4c(c3)CCCN4)CC2)cc1 to decrease its LogP value.,ClCCCC[NH+]1CCC(Oc2ccc3c(c2)CCCN3)CC1
MR,Please optimize the molecule CCCCC(=O)OC(=O)OC1(C(=O)COS(=O)(=O)c2ccc(Cl)cc2)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C to have a lower MR value.,CCCCC(=O)OC(=O)OC1(C(=O)COS(=O)(=O)c2ccccc2)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C
QED,Modify the molecule CCCCCc1ccc(Oc2c(F)cccc2CNN)c(O)c1 to have a higher QED value.,CCCCCc1ccc(Oc2c(F)cccc2CN)c(O)c1
AtomNum,"The molecule is composed of 23 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",COc1cccc(OCC(=O)N(Cc2ccncc2)c2nc3c(C(F)(F)F)cccc3s2)c1
BondNum,"The molecule has 12 single bonds, 2 double bonds, and 2 rotatable bonds.",CC1CC(NS(=O)(=O)C(C)(C)C)C[NH2+]1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 halo group.",O=C([O-])c1c(Cl)cccc1OCc1ccncc1
AddComponent,Add a aldehyde to the molecule C[Si](C)(C)OC(=O)c1cc(C(=O)O[Si](C)(C)C)cc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.,C[Si](C)(C)OC(=O)c1cc(C(=O)O[Si](C)(C)CCC=O)cc(N2C(=O)c3cccc4cccc(c34)C2=O)c1
SubComponent,Substitute a O=S(=O)(NCC1(O)CCC1)c1ccc(CBr)cc1 in the molecule halo with a nitrile.,N#CCc1ccc(S(=O)(=O)NCC2(O)CCC2)cc1
DelComponent,Remove a CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(O)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)C(O)(C(OC(=O)c4ccccc4)C21)C3(C)C from the molecule benzene ring.,CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(O)C(OC(=O)C(O)CNC(=O)c4ccccc4)C(O)(C(OC(=O)c4ccccc4)C21)C3(C)C
LogP,Optimize the molecule CC(C)(C)NC(=O)N1CCOC(c2ccc(Br)cc2)C1 to have a lower LogP value.,CC(C)(C)NC(=O)N1CCOC(c2ccccc2)C1
MR,Modify the molecule COC1C(OC(=O)c2ccccc2)CCC(=O)C1(O)COCc1ccccc1 to decrease its MR value.,COC1C(OC(=O)c2ccccc2)CCC(=O)C1(F)COCc1ccccc1
QED,Modify the molecule Cc1ncc(CO)c(C=NCCc2c[nH]c3ccccc23)c1O to increase its QED value.,Cc1cc(C=NCCc2c[nH]c3ccccc23)c(CO)cn1
AtomNum,"The molecule has 19 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",COc1ccccc1CCNc1cc(Nc2cccc(F)c2)ncn1
BondNum,"There is a molecule with 11 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)Cc1nc(C2COc3ccccc3C2)no1
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, and 4 halo groups.",CC(C)C(CO)[NH2+]Cc1nc(N2CCc3ccc(C(F)(F)F)cc3C2)ccc1F
AddComponent,Modify the molecule O=C1[NH+]=CNC(=[NH+]C2CCCOC2)C1Cl by adding a benzene ring.,O=C1[NH+]=CNC(=[NH+]C2CCC(c3ccccc3)OC2)C1Cl
SubComponent,Please substitute a Brc1ccc(OCC2CSc3ccccc32)c(Br)c1 in the molecule halo with a hydroxyl.,Oc1ccc(OCC2CSc3ccccc32)c(Br)c1
DelComponent,Remove a halo from the molecule CCOC(=O)c1c(NC(=O)CNc2cc(-n3cnnn3)ccc2F)sc2c1CCC2.,CCOC(=O)c1c(NC(=O)CNc2cccc(-n3cnnn3)c2)sc2c1CCC2
LogP,Optimize the molecule c1nc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc(N2CCCCC2)n1 to have a lower LogP value.,c1nc(Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc(N2CCCCC2)n1
MR,Please optimize the molecule CC(C)(C)c1nc(C(O)Cc2cc(Br)cs2)cs1 to have a lower MR value.,CC(C)(C)c1nc(CCc2cc(Br)cs2)cs1
QED,Modify the molecule CC(CC(O)c1ccccc1)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 to have a higher QED value.,CC(Cc1cccc([N+](=O)[O-])c1)CC(O)c1ccccc1
AtomNum,"There is a molecule with 20 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",C=CCNC(=O)c1ccccc1NC(=O)C(=O)NC(C)c1ccccc1
BondNum,"Please generate a molecule consisting 18 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(c1cc(N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-])N1CCCC1
FunctionalGroup,"The molecule has 1 ester group, and 1 amide group.",COC(=O)C1(NC(=O)C=Cc2ccccn2)CCCCC1
AddComponent,Modify the molecule O=C(Nc1ccc(I)cc1)c1c(F)cccc1Br by adding a carboxyl.,O=C(O)c1cc(NC(=O)c2c(F)cccc2Br)ccc1I
SubComponent,Modify the molecule halo by substituting a Cc1ccc(NC(=O)c2cccc(NC(=O)C3CC[NH+](CC(=O)Nc4ccc(Cl)c(C(=O)NC5CCCC5)c4)CC3)c2)cc1F with a carboxyl.,Cc1ccc(NC(=O)c2cccc(NC(=O)C3CC[NH+](CC(=O)Nc4ccc(C(=O)[OH])c(C(=O)NC5CCCC5)c4)CC3)c2)cc1F
DelComponent,Modify the molecule halo by removing a CCOCCn1c(=NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)sc2c(Cl)ccc(Cl)c21.,CCOCCn1c(=NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)sc2cccc(Cl)c21
LogP,Please modify the molecule CCN(CC(F)(F)F)c1cc(C[NH2+]C)cc(C(C)C)n1 to decrease its LogP value.,CCN(CC(F)(F)S)c1cc(C[NH2+]C)cc(C(C)C)n1
MR,Please optimize the molecule CN(C)c1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CC3(CC3)C2)cc1 to have a higher MR value.,CN(C)c1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CC3(CC3)C2)c(O)c1
QED,Optimize the molecule N#CC1CN(C(=O)C2CCCC(C(F)(F)F)C2)CCO1 to have a higher QED value.,O=C([OH])C1CN(C(=O)C2CCCC(C(F)(F)F)C2)CCO1
AtomNum,"Please generate a molecule with 21 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COC(=O)c1c(C)[nH]c(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c1C
BondNum,"Please generate a molecule with 12 single bonds, 4 double bonds, 7 rotatable bonds, and 5 aromatic bonds.",CCC(CC(N)=[NH+]O)NS(=O)(=O)c1nnc(NC(C)=O)s1
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 2 thioether groups, and 2 sulfide groups.",CC(O)c1cnc(CC2CCCSC2)s1
AddComponent,Add a benzene ring to the molecule O=C(C=C(OC1OC(CO)C(O)C(O)C1O)C(F)(F)F)c1cccs1.,O=C(C=C(OC1OC(CO)C(O)C(O)(c2ccccc2)C1O)C(F)(F)F)c1cccs1
SubComponent,Please substitute a CCCOc1cccc2c1nc(C(C)Cl)n2CC(C)CC in the molecule halo with a nitro.,CCCOc1cccc2c1nc(C(C)NO)n2CC(C)CC
DelComponent,Please remove a halo from the molecule CCCC1CCC(c2ccc(CCc3ccc(OC)c(C(F)(F)F)c3C(F)(F)F)cc2F)CC1.,CCCC1CCC(c2ccc(CCc3ccc(OC)c(C(F)(F)F)c3C(F)F)cc2F)CC1
LogP,Modify the molecule FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccccc1I to have a lower LogP value.,N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccccc1I
MR,Modify the molecule O=C(OCc1cccs1)c1ccccc1 to have a higher MR value.,O=C(OCc1cc(O)cs1)c1ccccc1
QED,Please optimize the molecule CC=CC(=O)OC(COc1ccc(C(=O)c2ccccc2)c(O)c1)COc1ccc(C(=O)c2ccccc2)c(O)c1 to have a higher QED value.,CC=CC(=O)OC(COc1ccc(C(=O)c2ccccc2)cc1)COc1ccc(C(=O)c2ccccc2)c(O)c1
AtomNum,"There is a molecule consisting of 38 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)C(C)C)CC1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CC(Sc1cccc(C[NH2+]C(C)(C)C)c1)C(=O)N(C)C
FunctionalGroup,"There is a molecule composed of 1 amide group, and 1 sulfone group.",CN(CC(=O)Nc1ccn(Cc2ccncc2)n1)C1=NS(=O)(=O)c2ccccc21
AddComponent,Please add a benzene ring to the molecule CCOC(=O)c1c(NC(=O)CCn2c(=O)cc(C)c3cccc(C)c32)oc(C)c1C(C)=O.,CC(=O)c1c(C)oc(NC(=O)CCn2c(=O)cc(C)c3cccc(C)c32)c1C(=O)OCCc1ccccc1
SubComponent,Substitute a halo in the molecule Cc1ccc(Oc2ccc(Nc3n[nH]c4cccnc34)cc2Cl)cc1 with a carboxyl.,Cc1ccc(Oc2ccc(Nc3n[nH]c4cccnc34)cc2C(=O)[OH])cc1
DelComponent,Modify the molecule COC(C[NH3+])CC(=O)Nc1cccc(Cl)c1-n1cncn1 by removing a halo.,COC(C[NH3+])CC(=O)Nc1ccccc1-n1cncn1
LogP,Optimize the molecule C=CC(=CCO)C(O)CCCCCC to have a higher LogP value.,C=CC(=CCO)CCCCCCC
MR,Please modify the molecule O=C([O-])CNNC(=O)C(F)(F)F to decrease its MR value.,O=C([O-])CNNC(=O)C(F)F
QED,Modify the molecule Cc1cccc(N2CC[NH+](CCOc3cccc(Br)c3)CC2)c1 to have a higher QED value.,Cc1cccc(N2CC[NH+](CCOc3ccccc3)CC2)c1
AtomNum,"The molecule has 18 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1cc(NC(=O)NCCC(=O)NC2CCCC2)ccc1N(C)C
BondNum,"Please generate a molecule consisting 22 single bonds, 4 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2
FunctionalGroup,"The molecule contains 1 benzene ring group, 4 halo groups, 1 nitrile group, and 1 sulfide group.",N#Cc1n[nH]nc1-c1cc(OC(F)(F)F)cc(-c2ccsc2Cl)c1
AddComponent,Add a benzene ring to the molecule CC(C)CC(C=C(Br)c1ccccc1)C=C(Br)c1ccccc1.,CC(C)CC(C=C(Br)c1ccccc1)C=C(Br)c1cccc(-c2ccccc2)c1
SubComponent,Substitute a halo in the molecule COCCOC(Cn1c(=O)n(C2(C)CCN(C)C2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC with a nitrile.,COCCOC(Cn1c(=O)n(C2(C)CCN(C)C2=O)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(C#N)ccc1OC
DelComponent,Remove a Cc1ccc(S(=O)(=O)N2CCSCC2C#N)o1 from the molecule nitrile.,Cc1ccc(S(=O)(=O)N2CCSCC2)o1
LogP,Please optimize the molecule CCS(=O)(=O)CC[NH+](CC(=O)[O-])CC1CC1 to have a lower LogP value.,CCS(=O)(=O)CC[NH+](CC(=O)[O-])C(CC=O)C1CC1
MR,Modify the molecule COc1cc(C(O)CNC(=O)C(C)Cc2c[nH]c3ccccc23)ccc1O to decrease its MR value.,COc1cc(CCNC(=O)C(C)Cc2c[nH]c3ccccc23)ccc1O
QED,Please modify the molecule C[NH+]1CC2CC(O)CC(C1)C2O to increase its QED value.,C[NH+]1CC2CC(S)CC(C1)C2O
AtomNum,"The molecule consists of 25 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",CCC(C)c1ccc(N=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1
BondNum,"There is a molecule consisting of 8 single bonds, 3 rotatable bonds, and 5 aromatic bonds.",CC([NH3+])c1c[nH+]c(CC2CC2)[nH]1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 ketone group, 1 amide group, and 3 halo groups.",COc1cc(OC)c(N2C(=O)CC(c3cccc(Cl)c3Cl)C3=C2CCCC3=O)cc1Cl
AddComponent,Add a carboxyl to the molecule N#Cc1ccc(Oc2ccc3cccnc3c2)c(Br)c1.,N#Cc1cc(Br)c(Oc2ccc3cccnc3c2)c(C(=O)O)c1
SubComponent,Please substitute a CCCC1CCC(C#N)C(S(=O)c2cccc(C)c2)C1 in the molecule nitrile with a aldehyde.,CC(=O)C1CCC(CCC)CC1S(=O)c1cccc(C)c1
DelComponent,Please remove a COc1cc(OC(C)=O)c2c3c1OC1C(N(CC(C)C)C(=O)C#Cc4cccc(C)c4)CCC4C(C2)[NH+](CC2CC2)CCC341 from the molecule amide.,COc1cc(OC(C)=O)c2c3c1OC1C(Cc4cccc(C)c4)(CC(C)C)CCC4C(C2)[NH+](CC2CC2)CCC341
LogP,Modify the molecule CC(=O)Nc1cccc(C(C)NC(=O)N(C2CCC(C)CC2)C2CC2)c1 to increase its LogP value.,CC1CCC(N(C(=O)NC(C)c2ccccc2)C2CC2)CC1
MR,Optimize the molecule CC(=CC=Cc1ccccc1)C(=O)OCCOC(=O)C(C)=CC=Cc1ccccc1 to have a higher MR value.,CC(=CC=Cc1ccccc1)C(=O)OCCOC(=O)C(C)=CC=Cc1cccc(S)c1
QED,Modify the molecule CCOC(=O)c1ccc(NCC(C)(C)CCCO)nc1 to increase its QED value.,CCCC(C)(C)CNc1ccc(C(=O)OCC)cn1
AtomNum,"There is a molecule composed of 26 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",COc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
BondNum,"There is a molecule consisting of 15 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CNC(=O)c1cccc(C(=O)N2C3CC[NH2+]CC2CC3)c1
FunctionalGroup,"The molecule has 1 amide group, and 1 sulfide group.",O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1sccc1C1CC1
AddComponent,Add a carboxyl to the molecule O=C(C[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(N2CCCC2)nc1.,O=C(C[NH+]1CCN(Cc2ccccc2)C(C(=O)O)C1)Nc1ccc(N2CCCC2)nc1
SubComponent,Substitute a halo in the molecule OCC(C[NH2+]C1CCC1)c1ccc(C(F)(F)F)cc1 with a aldehyde.,CC(=O)C(F)(F)c1ccc(C(CO)C[NH2+]C2CCC2)cc1
DelComponent,Remove a benzene ring from the molecule c1ccc(CCOB2C3CCCC2CCC3)cc1.,CCOB1C2CCCC1CCC2
LogP,Please modify the molecule CCn1nc(-c2ccccc2)cc(Nc2cccc(Cl)c2)c1=O to increase its LogP value.,CCn1nc(-c2ccccc2-c2ccccc2)cc(Nc2cccc(Cl)c2)c1=O
MR,Modify the molecule CCc1cc(N2CCCC(NC(=O)Nc3ccc(F)c(C)c3)C2)ncn1 to have a higher MR value.,CCc1cc(N2CCCC(NC(=O)Nc3ccc(O)c(C)c3)C2)ncn1
QED,Modify the molecule O=C(NC1CCOC1c1cccnc1)N1CC2(CCC2)C1C1CCOCC1 to decrease its QED value.,O=C(NC1CCOC1(O)c1cccnc1)N1CC2(CCC2)C1C1CCOCC1
AtomNum,"The molecule contains 28 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",O=C1C(=O)N(Cc2cccc(C(F)(F)F)c2)C(c2ccccn2)C1=C([O-])c1ccc2ccccc2c1
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(-n2cc(C(=O)N3CCN(c4ccccn4)CC3)nn2)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amide group.",Cc1cccc(NC(=O)c2c(C)nc3ccccn23)c1
AddComponent,Please add a benzene ring to the molecule COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)cc1Cl.,COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4-c4ccccc4)cc3)SC2=S)cc1Cl
SubComponent,Please substitute a halo in the molecule Cc1n[nH]c(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 with a carboxyl.,Cc1n[nH]c(C)c1NC(=O)CSc1nnc(-c2ccc(C(=O)[OH])cc2)o1
DelComponent,Modify the molecule halo by removing a CC(=O)Nc1ccc(C(=O)Nc2nc3c(C)cc(Br)cc3s2)cc1.,CC(=O)Nc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1
LogP,Modify the molecule CC([NH3+])c1ccc(Oc2cccc(C(C)(C)O[Si]C(C)(C)C)c2)c(Br)c1 to have a lower LogP value.,CC([NH3+])c1ccc(OC(C)(C)O[Si]C(C)(C)C)c(Br)c1
MR,Optimize the molecule Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCC[NH+]3CCN(c4ccc(O)cc4)CC3)cc2)cc1 to have a lower MR value.,Oc1ccc(N2CC[NH+](CCCOc3ccc(Cc4c(-c5ccccc5)ccc5cc(O)ccc45)cc3)CC2)cc1
QED,Modify the molecule Cc1ccc(CCNc2ncnc(N3CCOCC3)c2C#N)cc1 to have a lower QED value.,CCCNc1ncnc(N2CCOCC2)c1C#N
AtomNum,"The molecule contains 21 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",Cc1cccc(NC(=O)C[NH+](C2CC2)C(C)c2ccccc2Cl)c1C
BondNum,"Please generate a molecule composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",COc1cccc(C(=O)NCc2ccncc2)c1N
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 ester groups.",CCCC(OC(=O)C(CC)C1CCC(C(C)C(O[Si](C)(C)C(C)(C)C)C(CC)C2CCC(CC(CCC)[NH+](C)C)O2)O1)C(C)C1CCC(C(C)C(=O)OCc2ccccc2)O1
AddComponent,Add a benzene ring to the molecule C[Si](C)(C)c1ccc(-c2ccccc2)cc1O.,C[Si](C)(Cc1ccccc1)c1ccc(-c2ccccc2)cc1O
SubComponent,Please substitute a halo in the molecule COCCNc1cc(C[NH+]2CCCC2)ccc1C(=O)Nc1nn(C(=O)[O-])c2ccc(S(=O)(=O)c3cc(F)cc(F)c3)cc12 with a thiol.,COCCNc1cc(C[NH+]2CCCC2)ccc1C(=O)Nc1nn(C(=O)[O-])c2ccc(S(=O)(=O)c3cc(F)cc(S)c3)cc12
DelComponent,Remove a amine from the molecule Nc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.,Nc1cc(Br)cc(Br)c1S(=O)(=O)c1ccc(Cl)c(Cl)c1
LogP,Optimize the molecule CC1C[NH+]=C(NCc2cccs2)SC1 to have a lower LogP value.,OCC1C[NH+]=C(NCc2cccs2)SC1
MR,Modify the molecule Cc1nn(-c2ccc(Cl)cc2)c2ncc(C(N)=O)c(Cl)c12 to increase its MR value.,Cc1nn(-c2ccc(C(=O)[OH])cc2)c2ncc(C(N)=O)c(Cl)c12
QED,Please modify the molecule O=S(=O)(Nc1ccc(C(F)(F)F)nc1Br)c1ccccc1C(F)(F)F to decrease its QED value.,O=C([OH])C(F)(F)c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(Br)n1
AtomNum,"Please generate a molecule with 12 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",CC(C)(C)Nc1nnc(-c2ccc(F)cc2)o1
BondNum,"There is a molecule with 13 single bonds, 3 double bonds, and 5 rotatable bonds.",CC(=O)NCCC1(C)CC(=O)N1CC(=O)[S-]
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, 2 ester groups, 1 amine group, and 2 halo groups.",CCOC(=O)COP(=O)(NC(CC(C)C)C(=O)OCC)OCC1OC(n2ccc(C)nc2=O)C(F)(F)C1O
AddComponent,Add a hydroxyl to the molecule NC(=O)C(CC1CCCCC1)NCl.,NC(=O)C(CC1CCCC(O)C1)NCl
SubComponent,Modify the molecule halo by substituting a NC(=S)c1cccn1-c1nc(Br)cs1 with a thiol.,NC(=S)c1cccn1-c1nc(S)cs1
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccc(-c2ccc(OCCNC(=O)Cc3ccccc3Cl)nn2)cc1.,CCOc1ccc(OCCNC(=O)Cc2ccccc2Cl)nn1
LogP,Optimize the molecule CCCCc1ccc(Oc2ncnc(Cl)c2CC)cc1 to have a lower LogP value.,CCCCc1ccc(Oc2ncncc2CC)cc1
MR,Modify the molecule CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N(C)c3ccccc3)c3c(F)c(Cl)ccc23)c1 to increase its MR value.,CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N(C)c3ccccc3)c3c(S)c(Cl)ccc23)c1
QED,Modify the molecule CC(C)CC(C)OCCC(=O)N1CCOCC1CC(=O)[O-] to increase its QED value.,CC(C)CC(C)OCC1COCC1CC(=O)[O-]
AtomNum,"The molecule has 19 carbon atoms, 4 oxygen atoms, and 1 silicon atom.",CC[Si](CC)(CC)OC(C(C)C)C(C)C1CC(=O)C(C)C(C)(O)O1
BondNum,"The molecule contains 6 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",Nc1cc(Cl)cc(C(=O)OCc2cccnc2)c1
FunctionalGroup,"Please generate a molecule with 1 amine group, and 1 sulfone group.",CS(=O)(=O)Nc1noc2cc(OCC34CC5CC(CC3C5)C4)c(C3CC3)cc12
AddComponent,Please add a nitrile to the molecule CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(COC(=O)CN=[N+]=[N-])C13C(=O)OCc1ccccc1.,CC(C)C1=CC2CC3(C=O)C4CCC(C)(C#N)C4CC2(COC(=O)CN=[N+]=[N-])C13C(=O)OCc1ccccc1
SubComponent,Modify the molecule halo by substituting a COc1cccc(C(=O)N2CCC[NH+](CC3CN(C(=O)c4ccc(F)cc4F)CCO3)CC2)c1 with a carboxyl.,COc1cccc(C(=O)N2CCC[NH+](CC3CN(C(=O)c4ccc(C(=O)[OH])cc4F)CCO3)CC2)c1
DelComponent,Remove a benzene ring from the molecule CC(C)(C)c1cc(CCl)cc(OCc2ccccc2Br)n1.,CC(C)(C)c1cc(CCl)cc(OCBr)n1
LogP,Modify the molecule CCCCOc1ccc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1 to decrease its LogP value.,CCCCOc1ccc(C(=O)NCC2CCN(c3nccnc3NO)CC2)cc1
MR,Optimize the molecule CCCCOS(=O)Cl to have a lower MR value.,CCCCOS(=O)O
QED,Please optimize the molecule CC(C(=O)[O-])[NH+]1CCC(C(F)(F)F)(C(F)(F)F)C1 to have a lower QED value.,O=C([O-])C(CO)[NH+]1CCC(C(F)(F)F)(C(F)(F)F)C1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 fluorine atom.",O=C1CCc2cc(F)cc(NC(=O)N3CCc4c([nH]n(CCO)c4=O)C3)c2N1
BondNum,"The molecule consists of 16 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1cc(NC(=O)Cc2cc(C(N)=[NH+]O)ccc2O)ccc1C(=O)N1CCCC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 1 halo group, and 1 nitrile group.",COc1cccc(C(=O)N2CCN(C(C#N)c3ccc(Cl)cc3)CC2)c1
AddComponent,Please add a amine to the molecule CC[NH+](CC)CCCC(C)NC(=O)CCC[NH2+]C.,CC[NH+](CCCC(C)NC(=O)CCC[NH2+]C)C(C)N
SubComponent,Substitute a halo in the molecule CC([NH3+])c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 with a nitrile.,CC([NH3+])c1nc(C2=Cc3cc(C#N)ccc3OC2)no1
DelComponent,Modify the molecule Cc1ccc(SC(C)C)c(Nc2nc(Nc3cc(C)c(C4CCC[NH2+]C4)cc3OC(C)C)nc3[nH]ncc23)c1 by removing a amine.,Cc1ccc(SC(C)C)c(-c2nc(Nc3cc(C)c(C4CCC[NH2+]C4)cc3OC(C)C)nc3[nH]ncc23)c1
LogP,Please modify the molecule COc1ccc(-c2cc(CN3CC[NH+](C(Oc4ccc5oc(-c6ccc(F)cc6)nc5c4)C(C)O)CC3)on2)c(OC)c1 to decrease its LogP value.,COc1ccc(-c2cc(CN3CC[NH+](C(Oc4ccc5oc(-c6ccccc6)nc5c4)C(C)O)CC3)on2)c(OC)c1
MR,Modify the molecule CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1 to decrease its MR value.,CCNC(=O)C1CCN(S(=O)(=O)c2cn(C(C)C)cn2)CC1
QED,Modify the molecule CC([NH3+])c1ccc(OC2CCCc3ccccc32)c(Cl)c1 to decrease its QED value.,CC([NH3+])c1ccc(OC2CCCc3ccccc32)c(S)c1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CC(=O)c1cc(N2CCSCC2)ccc1N
BondNum,"The molecule is composed of 5 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",C[NH2+]CCc1nc(-c2cc[nH]c2)cs1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 5 amide groups, and 1 halo group.",COc1cc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC4CCCC4)c3C)CC2)ccc1NC(=O)c1cccc(F)c1
AddComponent,Add a benzene ring to the molecule OCC[NH+](Cc1cccc(F)c1Br)C1CCC1.,OCC[NH+](C1CCC1)C(c1ccccc1)c1cccc(F)c1Br
SubComponent,Substitute a COc1cc2c(cc1OC)C(c1ccccc1Cl)N(C(=O)c1ccccc1C(F)(F)F)CC2 in the molecule halo with a thiol.,COc1cc2c(cc1OC)C(c1ccccc1S)N(C(=O)c1ccccc1C(F)(F)F)CC2
DelComponent,Remove a amide from the molecule CCCc1nnc(NC(=O)CNc2ccc(NC(C)=O)cc2)s1.,CCCc1nnc(Nc2ccc(NC(C)=O)cc2)s1
LogP,Optimize the molecule CS(=O)CCNc1cc(Br)ccc1C#N to have a higher LogP value.,CS(=O)CCNc1cccc(Br)c1
MR,Modify the molecule CCC[NH2+]CCNC(=O)c1ccccc1OCCOC to have a higher MR value.,CCC[NH2+]CCNC(=O)c1c(S)cccc1OCCOC
QED,Please optimize the molecule CCOC(=O)C(C#N)Cc1ccc(OCCc2nc(-c3ccccc3Cl)oc2C)cc1 to have a higher QED value.,CCOC(=O)C(C#N)Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",Cc1cc(-c2cc(C(=O)NC3CCCCC3)[nH]n2)ccc1F
BondNum,"The molecule consists of 16 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(C=Nc2sc3c(c2C(=O)OC(C)(C)C)CC[NH+](C)C3)c(O)c1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 amine group.",O=C(NCc1ccccn1)c1cnc(NCc2cccnc2)nc1
AddComponent,Please add a benzene ring to the molecule CC([NH3+])C(=O)N(C)Cc1nc2ccccc2o1.,CN(Cc1nc2ccccc2o1)C(=O)C(C)([NH3+])c1ccccc1
SubComponent,Substitute a Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1OC1CC[NH2+]C1 in the molecule halo with a nitrile.,N#Cc1cccc(F)c1-c1nc(C(=O)Nc2cnccc2OC2CC[NH2+]C2)c(N)s1
DelComponent,Remove a amide from the molecule CCCCCCCCN(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)NCCCCC)c1ccc(CC)cc1.,CCCCCCCCC(C(N)=O)N(C(=O)OC(C)(C)C)C(C(=O)NCCCCC)c1ccc(CC)cc1
LogP,Optimize the molecule COC(=O)c1ccccc1COc1ccccc1-c1nnco1 to have a lower LogP value.,COC(=O)COc1ccccc1-c1nnco1
MR,Modify the molecule CC1(C)C[NH+](CC(=O)Nc2ccccc2OC(F)F)CCC1[NH3+] to have a lower MR value.,CC1(C)C[NH+](c2ccccc2OC(F)F)CCC1[NH3+]
QED,Modify the molecule CC1CCCC(CNc2cc(Cl)c(F)cc2N)C1 to decrease its QED value.,CC1CCCC(CNc2cc(C(=O)[OH])c(F)cc2N)C1
AtomNum,"The molecule contains 62 carbon atoms, 7 oxygen atoms, and 4 nitrogen atoms.",COC(=O)C(C)NC(=O)C(NC(=O)C(CCC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(C)NC(=O)CC(O)C=CCCCC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C
BondNum,"Please generate a molecule with 19 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC1(C)CC([NH+]=C(N)NC(=O)c2nc(Cl)c(N)nc2N)CC(C)(C)N1O
FunctionalGroup,The molecule contains and 1 sulfide group.,CCC[NH2+]C(CC(C)CCC)c1cnc(C)s1
AddComponent,Modify the molecule O=C(NCCCS(=O)c1ccncc1)c1cccs1 by adding a benzene ring.,O=C(NCCCS(=O)c1ccncc1-c1ccccc1)c1cccs1
SubComponent,Substitute a CC(C)C1NNC(C(=O)NCc2cccc(NC(=O)C[NH+](C)C)c2)C1Br in the molecule halo with a aldehyde.,CC(=O)C1C(C(=O)NCc2cccc(NC(=O)C[NH+](C)C)c2)NNC1C(C)C
DelComponent,Modify the molecule Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N2CCCC(C)C2)c2ccccc23)c1 by removing a benzene ring.,CCS(=O)(=O)c1nnn2c1nc(N1CCCC(C)C1)c1ccccc12
LogP,Please modify the molecule CC1Cc2cccc3c(=O)c(C(=O)Nc4ccc(C5(C#N)CC5)cc4)cn1c23 to decrease its LogP value.,CC1Cc2cccc3c(=O)c(C(=O)Nc4ccc(C5(NO)CC5)cc4)cn1c23
MR,Modify the molecule CCn1nnc2cc(C(=O)N3CC[NH+](Cc4ccccn4)CC3)ccc21 to increase its MR value.,CCn1nnc2cc(C(=O)N3CC[NH+](Cc4ccccn4)CC3)cc(-c3ccccc3)c21
QED,Please modify the molecule CCc1nc(C(C)C)c(C[NH2+]CCOC)s1 to decrease its QED value.,COCC[NH2+]Cc1sc(C(C)CC=O)nc1C(C)C
AtomNum,"There is a molecule with 15 carbon atoms, 1 sulfur atom, and 1 bromine atom.",C=C(C)C=C(Br)Sc1cccc2ccccc12
BondNum,"The molecule contains 4 single bonds, 1 double bond, 2 rotatable bonds, and 17 aromatic bonds.",Cn1c(-c2cccc(N)c2)cc(=O)n1-c1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 1 nitrile group.",CC(C)N(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)Nc1ccc(C#N)cc1
AddComponent,Add a aldehyde to the molecule CCCCOc1ccc(C=C2SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1.,CCCC(CC=O)Oc1ccc(C=C2SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1
SubComponent,Please substitute a COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(OC)cc2)cc1F in the molecule halo with a carboxyl.,COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(OC)cc2)cc1C(=O)[OH]
DelComponent,Remove a O=[N+]([O-])C(F)(F)c1nn[n-]n1 from the molecule halo.,O=[N+]([O-])C(F)c1nn[n-]n1
LogP,Please optimize the molecule COc1ccc(C(C)O)c(OCOCc2ccccc2)c1 to have a higher LogP value.,COc1ccc(C(C)C#N)c(OCOCc2ccccc2)c1
MR,Modify the molecule Nc1onc(-c2ccc(F)c(Cl)c2)c1-c1ccccc1Cl to increase its MR value.,Nc1onc(-c2ccc(NO)c(Cl)c2)c1-c1ccccc1Cl
QED,Modify the molecule O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1F to have a lower QED value.,N#Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
AtomNum,"There is a molecule composed of 22 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",C=CC1COC(C(=O)Nc2ccccc2)=Cc2c1c1ccccc1n2C
BondNum,"The molecule has 10 single bonds, 2 double bonds, 5 rotatable bonds, and 10 aromatic bonds.",CCn1cc(NC(=O)Cn2nc(N)cc2C)c(C(N)=O)n1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 halo group, 1 thioether group, and 1 sulfide group.",CCOc1cc(C=Nn2c(C)nnc2SCc2ccccc2)ccc1OCc1ccccc1F
AddComponent,Add a benzene ring to the molecule CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3s2)sc2c1CCC(C)C2.,CCOC(=O)c1c(NC(=O)C(Sc2nc3ccccc3s2)c2ccccc2)sc2c1CCC(C)C2
SubComponent,Modify the molecule O=S(=O)(NC1CCC(CO)CC1)c1ccc(Cl)cc1 by substituting a halo with a thiol.,O=S(=O)(NC1CCC(CO)CC1)c1ccc(S)cc1
DelComponent,Please remove a O=Cc1ccc(N2CCC(F)(F)CC2)c(F)c1 from the molecule halo.,O=Cc1ccc(N2CCC(F)CC2)c(F)c1
LogP,Please modify the molecule COCCN1C([NH3+])=C(C#N)C(c2cc(Br)c(OCc3ccccc3)c(OC)c2)C2=C1CC(C)(C)CC2=O to decrease its LogP value.,COCCN1C([NH3+])=C(C#N)C(c2ccc(OCc3ccccc3)c(OC)c2)C2=C1CC(C)(C)CC2=O
MR,Modify the molecule N#Cc1ccccc1Nc1nc(Cl)nc2sc3c(c12)CCC3 to increase its MR value.,Sc1ccccc1Nc1nc(Cl)nc2sc3c(c12)CCC3
QED,Optimize the molecule CC([NH3+])Cc1cnc(C2CCCCC2)o1 to have a lower QED value.,CC([NH3+])Cc1cnc(C2CCCCC2N)o1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 7 oxygen atoms, and 3 chlorine atoms.",CC1C(OCc2ccccc2)OC(CO)C(O)C1OC(=O)OCC(Cl)(Cl)Cl
BondNum,"There is a molecule consisting of 4 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",O=C(Nc1ncn[nH]1)c1ccccc1Br
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, 1 thioether group, and 1 sulfide group.",Cc1ccc(SCCC(=O)Nc2ccccc2-n2ccnn2)cc1C
AddComponent,Please add a hydroxyl to the molecule C=CCCNc1ccc(Br)cc1OC(F)(F)F.,C=CCCNc1ccc(Br)c(O)c1OC(F)(F)F
SubComponent,Modify the molecule halo by substituting a Cc1cccc2c([O-])c(C=Nc3ccc(Cl)cc3)c(=O)[nH]c12 with a thiol.,Cc1cccc2c([O-])c(C=Nc3ccc(S)cc3)c(=O)[nH]c12
DelComponent,Please remove a Cc1ccccc1CN(C)c1nc(C2CC2)c(C(=O)[O-])s1 from the molecule benzene ring.,CCN(C)c1nc(C2CC2)c(C(=O)[O-])s1
LogP,Modify the molecule Nc1cccc(Oc2ccc(-c3ccc(Oc4cccc(N)c4)c(Cl)c3)cc2Cl)c1 to have a lower LogP value.,Nc1cccc(Oc2ccc(-c3ccc(Oc4cccc(N)c4)c(Cl)c3)cc2O)c1
MR,Modify the molecule CN(C(=O)C1[NH2+]CCCC1(C)C)c1ccccc1C(=O)[O-] to decrease its MR value.,CN(C(=O)[O-])C(=O)C1[NH2+]CCCC1(C)C
QED,Please optimize the molecule O=C([O-])C1CC1c1nc2cc(F)cc(Cl)c2o1 to have a lower QED value.,O=C([O-])C1CC1c1nc2cc(F)ccc2o1
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",COCCN(CCNC(=O)c1ccccc1Br)C(C)=O
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, 4 rotatable bonds, and 22 aromatic bonds.",O=C([O-])N1CCC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4cccnc4c3)cc2F)C1
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,CCCCn1c(=O)c(C(=O)Nc2nnnn2C)cn(C)c1=O
AddComponent,Add a benzene ring to the molecule COC(=O)CCC1(C)C(C(C)CO)CCC2(C)C1CCC1C3C(C(C)C)CCC3(C(=O)[O-])CCC12C.,COC(=O)CCC1(C)C(C(C)CO)CCC2(C)C1CC(c1ccccc1)C1C3C(C(C)C)CCC3(C(=O)[O-])CCC12C
SubComponent,Please substitute a Nc1ccc(F)cc1NC(=O)c1c[nH]c(=O)[nH]c1=O in the molecule halo with a hydroxyl.,Nc1ccc(O)cc1NC(=O)c1c[nH]c(=O)[nH]c1=O
DelComponent,Remove a COC(CNC(C)=O)c1ccc(Cl)s1 from the molecule amide.,COC(C)c1ccc(Cl)s1
LogP,Please optimize the molecule CCOC(=O)C(Cc1ccc(-n2c(C3CCCC[NH+]3C)nc3cccnc32)cc1)N=C1CC(=O)C12CCCCC2 to have a lower LogP value.,CCOC(=O)C(Cn1c(C2CCCC[NH+]2C)nc2cccnc21)N=C1CC(=O)C12CCCCC2
MR,Optimize the molecule CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OCC(C)CCC)cc2)cc1 to have a lower MR value.,CCCCCCCCCCOc1ccc(C(=O)OOCC(C)CCC)cc1
QED,Please optimize the molecule O=c1oc2c(c([O-])c1Sc1ccc(F)cc1)c(=O)n(Cc1ccccc1)c1cc(OCCn3ccnc3)ccc21 to have a higher QED value.,O=c1oc2c(c([O-])c1Sc1ccc(F)cc1)c(=O)n(Cc1ccccc1O)c1cc(OCCn3ccnc3)ccc21
AtomNum,"There is a molecule with 22 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",Nc1ccc(C(O)C[NH2+]CCOc2ccc(-c3ccccc3C(=O)[O-])cc2)cn1
BondNum,"The molecule has 15 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",C[NH2+]C(CC1CCCc2ccccc21)C1CC1(C)C
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 amine group, and 2 halo groups.",O=C(Cn1c(Cl)cnc(NCCc2cccc[n+]2[O-])c1=O)NC(CO)c1cccc(Cl)c1
AddComponent,Add a benzene ring to the molecule CCCCn1cc(C)c(=O)n(CCCn2c(=O)occ(C)c2=O)c1=O.,Cc1coc(=O)n(CCCn2c(=O)c(C)cn(CCC(C)c3ccccc3)c2=O)c1=O
SubComponent,Modify the molecule halo by substituting a O=[N+]([O-])c1cc(Cl)nc(Sc2ccc(C(F)(F)F)cn2)c1 with a nitrile.,N#Cc1cc([N+](=O)[O-])cc(Sc2ccc(C(F)(F)F)cn2)n1
DelComponent,Remove a amide from the molecule CCC1[NH2+]C(C)(CC)C(=O)N1CCCC1CC1.,CCC[NH2+]CC(C)CCCC1CC1
LogP,Modify the molecule Cc1c(CC(=O)NCC(C)C(=O)OC(=O)CC(C)NC(=O)Cc2c(C)n(C(=O)c3ccc(OC(F)(F)F)cc3)c3cc(F)c([O-])c(F)c23)c2c(F)c([O-])c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1 to decrease its LogP value.,Cc1c(CC(=O)NCC(C)C(=O)OC(=O)CC(C)NC(=O)Cc2c(C)n(C(=O)c3ccc(OC(F)(F)F)cc3)c3cc(F)c([O-])c(F)c23)c2cc([O-])c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1
MR,Please modify the molecule CC(C(=O)NCc1ccccc1)N1C(=O)C2CC=CCC2C1=O to decrease its MR value.,CC(C(=O)NCc1ccccc1)C1C=CCCC1=O
QED,Modify the molecule COc1ccccc1CC(=O)N(CCCBr)C1CCC1 to increase its QED value.,COc1ccccc1C(CCBr)C1CCC1
AtomNum,"The molecule is composed of 15 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",COc1c(C)cc(C)cc1CC[NH+](C)CCCS
BondNum,"The molecule contains 8 single bonds, 2 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",CC(=O)c1cccc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 halo group.",O=C1c2cc(OCc3cccnc3)nn2CCN1c1ccc(F)cc1
AddComponent,Please add a hydroxyl to the molecule CCn1nnc2cc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)ccc21.,CCn1nnc2cc(C(=O)N(Cc3nnc(-c4c(O)cccc4Cl)o3)C3CC3)ccc21
SubComponent,Substitute a Cc1ncsc1C(=O)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 in the molecule halo with a carboxyl.,Cc1ncsc1C(=O)N1CCc2nc(-c3ccc(C(F)(F)C(=O)[OH])cc3)sc2C1
DelComponent,Please remove a CC(=O)NC(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1cccs1 from the molecule benzene ring.,CC(=O)NC(CC(=O)NC(=O)N1CCCCC1)c1cccs1
LogP,Optimize the molecule COc1ccccc1OCC(=O)NNC(=O)c1ccc(C)c(Br)c1 to have a lower LogP value.,COc1ccccc1OCC(=O)NNC(=O)c1ccc(C)cc1
MR,Please modify the molecule CC(C)(C)CC(C)(C)NC(=O)COC(=O)c1ccccc1NCCO to increase its MR value.,CC(=O)CCNc1ccccc1C(=O)OCC(=O)NC(C)(C)CC(C)(C)C
QED,Modify the molecule CC[NH2+]C(C)c1ccc(-c2ccc(I)cc2)o1 to have a lower QED value.,CC[NH2+]C(C)c1ccc(-c2ccc(O)cc2)o1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 1 oxygen atom, and 6 fluorine atoms.",CCCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)F)c(F)c2)cc1
BondNum,"There is a molecule composed of 8 single bonds, 4 rotatable bonds, and 17 aromatic bonds.",CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1cccc(C)c1C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ester group, 1 amine group, and 1 halo group.",CCOC(=O)c1c(F)ccc(N)c1C
AddComponent,Modify the molecule Nc1nc(=O)c2nc(CNc3ccc(C(=O)NCCCC(=O)NCC(=O)NCC(=O)[O-])cc3)cnc2[nH]1 by adding a amine.,Nc1nc(=O)c2nc(CNc3ccc(C(=O)NCCCC(=O)NCC(=O)NC(N)C(=O)[O-])cc3)cnc2[nH]1
SubComponent,Modify the molecule halo by substituting a CCCCOC(=O)Nc1cc(Cl)ccc1OC with a carboxyl.,CCCCOC(=O)Nc1cc(C(=O)[OH])ccc1OC
DelComponent,Remove a benzene ring from the molecule COc1nccnc1-c1ccc(O)cc1C.,COc1nccnc1CO
LogP,Please modify the molecule Brc1ccc(-c2ncccn2)cc1Cn1c2ccccc2c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2ccccc21 to decrease its LogP value.,Oc1ccc(-c2ncccn2)cc1Cn1c2ccccc2c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2ccccc21
MR,Modify the molecule NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2ccc([N+](=O)[O-])cc2)cc1 to increase its MR value.,NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(NO)cc3)C2c2ccc([N+](=O)[O-])cc2)cc1
QED,Please modify the molecule Nc1ccc(Cl)c(C=NO)c1Cl to increase its QED value.,Nc1ccc(Cl)c(C=NNO)c1Cl
AtomNum,"The molecule consists of 10 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1
BondNum,"There is a molecule consisting of 11 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",O=C(CSc1ncnc2ccccc12)Nc1ccc2c(c1)OCCCO2
FunctionalGroup,"The molecule contains 1 aldehyde group, and 1 ketone group.",CCCCc1cc2c(C=O)ccc3c2c(n1)-c1ccccc1C3=O
AddComponent,Modify the molecule COc1csc(C(=O)N(C)OC)c1 by adding a benzene ring.,CON(C)C(=O)c1cc(OCc2ccccc2)cs1
SubComponent,Please substitute a hydroxyl in the molecule O=[N+]([O-])c1cccc(Cc2ccc(O)o2)c1 with a carboxyl.,O=C([OH])c1ccc(Cc2cccc([N+](=O)[O-])c2)o1
DelComponent,Please remove a COc1cc(Cl)cc(OCC2CCC(=O)N2CCSc2nc(C(=O)[O-])cs2)c1 from the molecule amide.,COc1cc(Cl)cc(OCC(C)CCSc2nc(C(=O)[O-])cs2)c1
LogP,Optimize the molecule CCCCc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(C#Cc3ccc(-c4c5nc(c(-c6ccccc6)c6ccc([nH]6)c(-c6ccc([N+](=O)[O-])cc6)c6nc(c(-c7ccccc7)c7ccc4[nH]7)C=C6)C=C5)cc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2 to have a lower LogP value.,CCCCc1c2nc(cc3ccc([nH]3)c(C#Cc3ccc(-c4c5nc(c(-c6ccccc6)c6ccc([nH]6)c(-c6ccc([N+](=O)[O-])cc6)c6nc(c(-c7ccccc7)c7ccc4[nH]7)C=C6)C=C5)cc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
MR,Modify the molecule N#CCSc1ccccc1NC(=O)CNc1ccccc1-c1ccccc1 to have a lower MR value.,CSc1ccccc1NC(=O)CNc1ccccc1-c1ccccc1
QED,Please modify the molecule OC(=C(Oc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F to increase its QED value.,OC(=C(Oc1ccc(O)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
AtomNum,"The molecule is composed of 32 carbon atoms, 4 oxygen atoms, 7 nitrogen atoms, and 2 fluorine atoms.",C[NH+]1CCN(c2cc(C(N)=O)c(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)cc2-n2ccc(C(=O)[O-])c2)CC1
BondNum,"Please generate a molecule composed of 24 single bonds, 3 double bonds, 17 rotatable bonds, and 18 aromatic bonds.",CNC(=O)C(Cc1ccc(OC)cc1)NC(=O)C(CC(C)C)[NH2+]C(C)P(=O)(OCc1ccccc1)OCc1ccccc1
FunctionalGroup,There is a molecule consisting of and 1 amide group.,CON(C)C(=O)CCC[NH+]1CCN(C)CC1
AddComponent,Please add a hydroxyl to the molecule Cc1ncnc(-c2cccc(Br)c2)c1C(=O)[O-].,Cc1ncnc(-c2ccc(O)c(Br)c2)c1C(=O)[O-]
SubComponent,Substitute a CC(=O)NC1C(OCCOCCOCCNC(=O)CC([NH3+])C(=O)NCC(=O)NC(CO)C(=O)[O-])OC(CO)C(O)C1O in the molecule hydroxyl with a nitrile.,CC(=O)NC1C(OCCOCCOCCNC(=O)CC([NH3+])C(=O)NCC(=O)NC(CC#N)C(=O)[O-])OC(CO)C(O)C1O
DelComponent,Please remove a hydroxyl from the molecule CC(=O)OC1COC(O)(C(C)=O)C(OC(C)=O)C1OC(C)=O.,CC(=O)OC1COC(C(C)=O)C(OC(C)=O)C1OC(C)=O
LogP,Optimize the molecule CCC(C)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C to have a higher LogP value.,CCC(C)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC(CCCCCCC(C)C)c1ccccc1)OC(=O)CCCCCCCCCCCCCC(C)C
MR,Please optimize the molecule CC(C)c1[nH]c(COc2ccccc2)nc(=O)c1Br to have a lower MR value.,CC(C)c1[nH]c(CO)nc(=O)c1Br
QED,Please modify the molecule O=c1oc2ccccc2c(-c2ccc(O)cc2)c1-c1ccccc1 to decrease its QED value.,O=c1oc2ccccc2c(-c2ccc(O)cc2)c1-c1ccccc1O
AtomNum,"Please generate a molecule with 21 carbon atoms, 5 nitrogen atoms, and 6 fluorine atoms.",Nc1ccc(C#Cc2ncn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1
BondNum,"Please generate a molecule consisting 13 single bonds, and 7 rotatable bonds.",CCCC(C)(O)CCCC(O)C(C)C
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 hydroxyl group, 3 amine groups, and 2 halo groups.",CCNC(NCCc1cc(F)ccc1F)=[NH+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(CN(C)c2ccnc(C(C)C)n2)cc1F.,Cc1ccc(CN(Cc2ccccc2)c2ccnc(C(C)C)n2)cc1F
SubComponent,Please substitute a halo in the molecule OC(C[NH2+]CCOCC1CC1)c1ccc(C(F)(F)F)cc1 with a carboxyl.,O=C([OH])C(F)(F)c1ccc(C(O)C[NH2+]CCOCC2CC2)cc1
DelComponent,Please remove a nitrile from the molecule COCCC[NH+](C)CCCOc1ccc(C#N)cc1.,COCCC[NH+](C)CCCOc1ccccc1
LogP,Please optimize the molecule CC(O)C1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1 to have a higher LogP value.,CC(C#N)C1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1
MR,Please optimize the molecule COc1ccc(Cl)cc1COc1cccc(Oc2ncccn2)c1 to have a higher MR value.,COc1ccc(C(=O)[OH])cc1COc1cccc(Oc2ncccn2)c1
QED,Optimize the molecule O=C(CC1CCC[NH2+]1)N1CCN(c2c(C3CC3)c[nH+]c3n[nH]c(C(F)(F)F)c23)CC1 to have a lower QED value.,O=C(CC1CCC[NH2+]1)N1CCN(c2c(C3CC3)c[nH+]c3n[nH]c(C(F)(F)C(=O)[OH])c23)CC1
AtomNum,"The molecule is composed of 33 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 3 chlorine atoms.",CCCCCCCCCCCCOc1ccc(OS(=O)Nc2cccc([NH+]=C3CC(=O)N(c4c(Cl)cc(Cl)cc4Cl)N3)c2)cc1
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, and 4 rotatable bonds.",CCC(C(C)=O)N1CC(CI)CC1=O
FunctionalGroup,"The molecule has 1 benzene ring group, 1 nitro group, and 2 halo groups.",CCC(CC)C(C)[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F
AddComponent,Please add a hydroxyl to the molecule O=S1(=O)CCN(c2ncnc3c2C[NH2+]CC3)CC1.,O=S1(=O)CCN(c2nc(O)nc3c2C[NH2+]CC3)CC1
SubComponent,Please substitute a halo in the molecule O=C(Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21)N1c2ccccc2Sc2ccccc21 with a carboxyl.,O=C([OH])c1ccc(OCc2nc3ccccc3n2CC(=O)N2c3ccccc3Sc3ccccc32)c(Cl)c1
DelComponent,Modify the molecule hydroxyl by removing a CN1CC([NH2+]C2CC2)Cc2cc(O)ccc21.,CN1CC([NH2+]C2CC2)Cc2ccccc21
LogP,Please modify the molecule CC=CC(C)C=C(C)C(O)C(CO[Si](C)(C)C(C)(C)C)C(O)C(C)COCc1ccc(OC)cc1 to decrease its LogP value.,CC=CC(C)C=C(C)C(O)C(CO[Si](C)(C)C(C)(C)C)C(O)C(C)COCOC
MR,Please optimize the molecule C=C(C)C(=O)NCCC(O)CCl to have a higher MR value.,CC(=Cc1ccccc1)C(=O)NCCC(O)CCl
QED,Please optimize the molecule CCCNC(=O)C[NH+](C)CC(=O)Nc1ccccc1Cl to have a higher QED value.,CCC[NH+](C)CC(=O)Nc1ccccc1Cl
AtomNum,"Please generate a molecule with 25 carbon atoms, 2 oxygen atoms, 8 nitrogen atoms, and 2 chlorine atoms.",CCN(CC)C(=O)C(CCNC(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)nn2C)CC1)[NH+]=C(N)N
BondNum,"The molecule is composed of 14 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cn1[nH]c(=O)c(Nc2cccc(C(=O)N3CCC(CO)C3)c2O)c(Br)c1=O
FunctionalGroup,The molecule consists of and 1 amide group.,CC(C)NC(=O)C(C)Oc1ccc2[nH]ccc2c1
AddComponent,Add a amine to the molecule Cc1cccc(C(=O)Nc2ccc(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)N(C)C)c4C)CC3)cc2)c1.,Cc1cccc(C(=O)Nc2ccc(NC(=O)C(C)NC(=O)C3(N)CC[NH+](C(C)C(=O)Nc4cccc(C(=O)N(C)C)c4C)CC3)cc2)c1
SubComponent,Please substitute a halo in the molecule Cc1cc(Cl)ccc1NC(=O)c1ccc(NC2=C(Cl)C(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 with a nitro.,Cc1cc(NO)ccc1NC(=O)c1ccc(NC2=C(Cl)C(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2=O)cc1
DelComponent,Remove a Cc1c(Br)c2ccccc2n1CC(=O)NC(C(N)=O)c1ccccc1 from the molecule benzene ring.,Cc1c(Br)c2ccccc2n1CC(=O)NCC(N)=O
LogP,Please modify the molecule Cc1c2n(ccc1=O)N(C1c3ccccc3CCc3ccccc31)CN(Cc1nccs1)C2=O to decrease its LogP value.,Cc1c2n(cc(C(=O)O)c1=O)N(C1c3ccccc3CCc3ccccc31)CN(Cc1nccs1)C2=O
MR,Modify the molecule OCCNc1cccc2c1OCO2 to have a lower MR value.,CCNc1cccc2c1OCO2
QED,Please optimize the molecule COc1ccc(C(O)Cc2ccccc2F)c(F)c1 to have a lower QED value.,COc1ccc(CCc2ccccc2F)c(F)c1
AtomNum,"The molecule contains 18 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",CC12CC[NH2+]CC1Oc1ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc12
BondNum,"The molecule has 13 single bonds, 2 double bonds, 9 rotatable bonds, and 5 aromatic bonds.",CCc1nn(C)cc1NS(=O)(=O)CCCC[NH2+]C(C)C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ketone group, 1 amide group, 1 halo group, and 1 sulfone group.",CN(CC1c2nc(C(=O)CCc3ccc(F)cc3)c([O-])c(=O)n2CC[NH+]1C)C(=O)CS(C)(=O)=O
AddComponent,Add a hydroxyl to the molecule COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)C(=O)c1ccc(C(C)(C)C)cc1.,COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cc(O)ccc1C)C(=O)c1ccc(C(C)(C)C)cc1
SubComponent,Substitute a C[NH+]=C(NCc1ccccc1Cl)NCc1c(C)nn(Cc2ccccc2)c1C in the molecule halo with a nitrile.,C[NH+]=C(NCc1ccccc1C#N)NCc1c(C)nn(Cc2ccccc2)c1C
DelComponent,Please remove a amine from the molecule Cc1noc(C)c1S(=O)(=O)Nc1ccccc1C(C)(C)C.,Cc1noc(C)c1S(=O)(=O)c1ccccc1C(C)(C)C
LogP,Please optimize the molecule CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)NCC[NH+](C)C)c2)C(=O)CC1c1ccccc1 to have a lower LogP value.,CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)NCC(CC=O)[NH+](C)C)c2)C(=O)CC1c1ccccc1
MR,Please modify the molecule Cc1ccc(CN(C)C(C[NH3+])c2ccc(Cl)cc2C)cc1 to decrease its MR value.,CCN(C)C(C[NH3+])c1ccc(Cl)cc1C
QED,Please optimize the molecule CCNC1(C#N)CCCC1CC[NH+](C)CC(C)C to have a higher QED value.,CCC1(C#N)CCCC1CC[NH+](C)CC(C)C
AtomNum,"The molecule has 28 carbon atoms, and 1 oxygen atom.",C=COCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
BondNum,"Please generate a molecule composed of 24 single bonds, 2 double bonds, 6 rotatable bonds, and 5 aromatic bonds.",CCNC(=[NH+]CCCc1nnc2n1CCCCC2)N1CCC([NH+]2CC=CC2)C1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amide groups, and 2 halo groups.",O=C1CCC(C(=O)NCCc2ccc(F)c(F)c2)=NN1
AddComponent,Please add a benzene ring to the molecule CCCOc1ccc(C2=C(Nc3cc(C)ccc3OC)C(=O)N(Cc3ccncc3)C2=O)cc1.,CCCOc1ccc(C2=C(Nc3cc(C)cc(-c4ccccc4)c3OC)C(=O)N(Cc3ccncc3)C2=O)cc1
SubComponent,Please substitute a hydroxyl in the molecule Cc1cnc(C2CCC(C)(C)CC2)nc1CO with a aldehyde.,CC(=O)Cc1nc(C2CCC(C)(C)CC2)ncc1C
DelComponent,Please remove a halo from the molecule CCc1cc2scc(C#N)c2cc1Cl.,CCc1ccc2c(C#N)csc2c1
LogP,Modify the molecule N#Cc1ccc(N2CCCC2Cn2nc(-c3cccnc3)ccc2=O)nc1 to have a lower LogP value.,N#Cc1cnc(N2CCCC2Cn2nc(-c3cccnc3)ccc2=O)c(O)c1
MR,Please modify the molecule COC(=O)C(NS(=O)(=O)c1ccc(Cl)nc1)C(C)(C)C to decrease its MR value.,COC(=O)C(NS(=O)(=O)c1cccnc1)C(C)(C)C
QED,Please optimize the molecule CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 to have a lower QED value.,CCc1ccccc1N(CC(=O)N(Cc1ccc(NO)cc1)C(C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)cc1
AtomNum,"The molecule contains 7 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CNC(=O)C1C(=O)C=CC1=O
BondNum,"The molecule is composed of 7 single bonds, 4 rotatable bonds, and 17 aromatic bonds.",Cc1cc(Nc2nccc(Nc3ccc(C)c(C)c3)n2)no1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 2 amide groups, and 1 halo group.",Cc1cc(OCCOCc2ccccc2)ccc1N(C(=O)c1nc[nH]c1C(=O)N(c1nc2ccccc2[nH]1)c1nc2ccc(Cl)cc2[nH]1)c1ccc(OC2CC[NH2+]CC2)cc1C
AddComponent,Please add a amine to the molecule COc1ccc(C#N)c(Oc2ccc(N)cc2F)c1.,COc1ccc(C#N)c(Oc2cc(N)c(N)cc2F)c1
SubComponent,Modify the molecule hydroxyl by substituting a COCC1(O)CCCCC1n1cnc(C(=O)N2CC[NH2+]CC2Cc2ccc(Cl)cc2Cl)c1-c1ccccc1 with a halo.,COCC1(Br)CCCCC1n1cnc(C(=O)N2CC[NH2+]CC2Cc2ccc(Cl)cc2Cl)c1-c1ccccc1
DelComponent,Modify the molecule CCCc1cc(=O)n2nc(NC3CC[NH+](CC4CCCC4)CC3)sc2n1 by removing a amine.,CCCc1cc(=O)n2nc(C3CC[NH+](CC4CCCC4)CC3)sc2n1
LogP,Please optimize the molecule Cc1ccc(C(F)(F)F)cc1-c1c(F)cccc1Cl to have a lower LogP value.,O=C(O)Cc1ccc(C(F)(F)F)cc1-c1c(F)cccc1Cl
MR,Modify the molecule CC(=CCl)CNc1ccc(Cl)c2cccnc12 to have a lower MR value.,CC(=CCl)Cc1ccc(Cl)c2cccnc12
QED,Please modify the molecule CC(C)(C#N)CCCCOc1ccc(F)cc1F to increase its QED value.,CC(C)(C#N)CCC(COc1ccc(F)cc1F)C(=O)O
AtomNum,"The molecule consists of 19 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(=O)Nc1cccc(N(CC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)c1
BondNum,"There is a molecule composed of 13 single bonds, 4 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)c1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",COc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)[O-])c1
AddComponent,Add a aldehyde to the molecule CC(Nc1ccsc1)C1(C)CC1.,CC1(C(C)(CC=O)Nc2ccsc2)CC1
SubComponent,Substitute a hydroxyl in the molecule Cc1cc(Cc2cc(C)c(NC(C)c3ccc(O)cc3)c(C(C)C)c2)cc(C(C)C)c1N with a nitrile.,Cc1cc(Cc2cc(C)c(NC(C)c3ccc(C#N)cc3)c(C(C)C)c2)cc(C(C)C)c1N
DelComponent,Please remove a benzene ring from the molecule COc1cc2ccccc2cc1C(=O)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1.,COc1cc2ccccc2cc1C(=O)NN=Cc1cc(Cl)c(OC[N+](=O)[O-])c(Br)c1
LogP,Please optimize the molecule CCC(C)[NH2+]CC(=O)NC1C=CS(=O)(=O)C1 to have a lower LogP value.,CC(N)C(C)[NH2+]CC(=O)NC1C=CS(=O)(=O)C1
MR,Please modify the molecule Cc1ccc(C2=NC(=C(CCCCC3CCCCC3)c3c(-c4ccccc4)cc(-c4ccccc4)n3B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)c3ccccc32)cc1 to decrease its MR value.,Cc1ccc(C2=NC(=C(CCCCC3CCCCC3)c3ccc(-c4ccccc4)n3B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)c3ccccc32)cc1
QED,Optimize the molecule Cc1cc(SCC(=O)OC(C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)cc1Br to have a higher QED value.,Cc1cc(SCC(=O)OCc2cc(Cl)cc(Cl)c2)c(C)cc1Br
AtomNum,"There is a molecule with 14 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CC(C)NC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C
BondNum,"Please generate a molecule composed of 22 single bonds, 3 double bonds, 11 rotatable bonds, and 17 aromatic bonds.",CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)o2)cc(OCC)c1OCC
FunctionalGroup,Please generate a molecule consisting and 1 sulfide group.,CC(NC(=O)N1CCC(c2nccs2)CC1)c1ccc2c(c1)OCCO2
AddComponent,Modify the molecule CC(C)c1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2ccccn12 by adding a thiol.,CC(CS)c1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2ccccn12
SubComponent,Modify the molecule hydroxyl by substituting a CCCCCCCCCCCCCCCCSCC(CSCCCCCCCCCCCCCCCC)OC(=O)CCc1cc(C(C)(C)C)c(O)cc1C with a halo.,CCCCCCCCCCCCCCCCSCC(CSCCCCCCCCCCCCCCCC)OC(=O)CCc1cc(C(C)(C)C)c(Br)cc1C
DelComponent,Modify the molecule NC(=O)CCC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCC[NH3+])NC(=O)C1CCC[NH2+]1)C(=O)[O-] by removing a amide.,CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCC[NH3+])NC(=O)C1CCC[NH2+]1)C(=O)[O-]
LogP,Please modify the molecule Nc1cccc(C(=O)OCc2cccc3ccccc23)c1 to decrease its LogP value.,NC(=O)OCc1cccc2ccccc12
MR,Modify the molecule Cc1ccc(NC(C)c2cc3c(s2)CCCC3)c(Br)c1 to decrease its MR value.,Cc1ccc(NC(C)c2cc3c(s2)CCCC3)cc1
QED,Modify the molecule [NH3+]C1CCN(Cc2ccc(Cl)c(Br)c2)C1 to have a lower QED value.,[NH3+]C1CCN(Cc2ccc(C(=O)[OH])c(Br)c2)C1
AtomNum,"Please generate a molecule composed of 8 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",NC(=O)Nc1ccc(F)c(C[NH3+])c1
BondNum,"The molecule contains 15 single bonds, 1 double bond, 11 rotatable bonds, and 5 aromatic bonds.",CC(C)OCCCNC(=O)Cn1cc(CCCC[NH3+])nn1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 sulfide group.",CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCCC1c1nc2ccccc2s1
AddComponent,Modify the molecule CCOc1cccc(NC2=C(c3ccc(C)cc3C)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)c1 by adding a hydroxyl.,CCOc1cccc(NC2=C(c3ccc(C)cc3C)C(=O)N(c3ccc(F)c(Cl)c3O)C2=O)c1
SubComponent,Please substitute a hydroxyl in the molecule CCNC(NCCCCC(C)C)=[NH+]CC1(O)CCC1 with a nitrile.,CCNC(NCCCCC(C)C)=[NH+]CC1(C#N)CCC1
DelComponent,Please remove a CC(C)(C)C1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(=O)N2CCOCC2)C1 from the molecule benzene ring.,CC(C)(C)C1CCc2c(sc(NC(=O)Br)c2C(=O)N2CCOCC2)C1
LogP,Optimize the molecule O=[N+]([O-])c1cncc2cccnc12 to have a lower LogP value.,O=[N+]([O-])c1cnc(O)c2cccnc12
MR,Optimize the molecule COCC[NH+](C)CCn1c(CCCl)nc2ccc(Br)cc21 to have a lower MR value.,CCc1nc2ccc(Br)cc2n1CC[NH+](C)CCOC
QED,Optimize the molecule c1ccc(N(c2ccccc2)c2ccc(B(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cc(B(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(B(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1 to have a higher QED value.,c1ccc(N(B(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2cc(B(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(B(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)c2ccccc2)cc1
AtomNum,"The molecule consists of 20 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(C(NC(=O)C2CCCN2S(C)(=O)=O)c2ccccc2)cc1
BondNum,"The molecule has 11 single bonds, 1 double bond, 8 rotatable bonds, and 17 aromatic bonds.",C[NH+]=C(NCCSc1ccccc1)NCc1cccc(Cn2cncn2)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amine groups, and 1 halo group.",Nc1cccc(OCCNc2ncncc2I)c1
AddComponent,Please add a amine to the molecule COc1ccc(CC(C)[NH2+]C(C)CC(O)c2cccs2)cc1.,COc1ccc(CC(C)[NH2+]C(C)CC(O)c2cccs2)cc1N
SubComponent,Modify the molecule CC[NH2+]C(c1ccc(F)c(F)c1)C1SCCSC1C by substituting a halo with a nitrile.,CC[NH2+]C(c1ccc(C#N)c(F)c1)C1SCCSC1C
DelComponent,Remove a benzene ring from the molecule CC(=O)c1ccc(C2=CC(=O)CC2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c12.,CC(=O)c1ccc(C2=CC(=O)CC2)c2ccn(S(C)(=O)=O)c12
LogP,Please modify the molecule CC[NH+]1CC2CC1CN2CC(F)(F)F to decrease its LogP value.,CC[NH+]1CC2CC1CN2CC(F)F
MR,Modify the molecule O=C(OCCCl)N(Cc1ccccc1)c1ccccc1 to increase its MR value.,CC(=O)CCOC(=O)N(Cc1ccccc1)c1ccccc1
QED,Please modify the molecule CC(C)NC(=O)C[NH2+]CC(C)(C)C to decrease its QED value.,CC(C)[NH2+]CC(C)(C)C
AtomNum,"The molecule is composed of 46 carbon atoms, 37 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(=O)NC(CO)C(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)C(O)C(O)COC1OC(COS(=O)(=O)[O-])C(O)C(OC2OC(C)C(O)C(O)C2O)C1NC(C)=O
BondNum,"Please generate a molecule consisting 7 single bonds, 1 double bond, 5 rotatable bonds, and 23 aromatic bonds.",O=C(NC(c1ccccc1)c1ccc(Cl)cc1)c1ccc(-n2ccnc2)nc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 6 halo groups.",[NH3+]C1(COC=O)CC(C(=O)N2CC(OCc3ccc(C(F)(F)F)c(C(F)(F)F)c3)C2)C1
AddComponent,Add a hydroxyl to the molecule CCCC(CCC)C(=O)Nc1ccc(N2CCCC2=O)cc1.,CCCC(CCC)C(=O)Nc1ccc(N2CCCC2=O)cc1O
SubComponent,Substitute a CCCC1(c2c(Br)cnn2CC)CCC[NH2+]1 in the molecule halo with a aldehyde.,CC(=O)c1cnn(CC)c1C1(CCC)CCC[NH2+]1
DelComponent,Remove a hydroxyl from the molecule Nc1cc(B(O)O)c([S-])c2sccc12.,Nc1cc(BO)c([S-])c2sccc12
LogP,Please modify the molecule CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC)cc2)cc1 to increase its LogP value.,CNS(=O)(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1
MR,Please modify the molecule FC(F)(F)Oc1ccc(N2CCCC2c2ccc3c(c2)OCCO3)nc1 to decrease its MR value.,FC(F)Oc1ccc(N2CCCC2c2ccc3c(c2)OCCO3)nc1
QED,Optimize the molecule CCC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 to have a higher QED value.,CCC(C)c1ccc(S(=O)(=O)[N-]C(=O)[O-])cc1
AtomNum,"There is a molecule composed of 12 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",C[NH2+]C1COCC1C(=O)NCc1cnc(C)cn1
BondNum,"There is a molecule consisting of 27 single bonds, 1 double bond, and 7 rotatable bonds.",COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
FunctionalGroup,"The molecule is composed of 3 halo groups, and 1 nitrile group.",N#CCc1[nH]ccc(=O)c1C(F)(F)F
AddComponent,Please add a hydroxyl to the molecule OC(c1cnc[nH]1)C1CCCC[NH2+]1.,OC1CC[NH2+]C(C(O)c2cnc[nH]2)C1
SubComponent,Substitute a halo in the molecule CNC(=O)c1c(C(F)(F)F)nn(C2CC[NH+](C(C)C)CC2)c1C with a nitro.,CNC(=O)c1c(C(F)(F)NO)nn(C2CC[NH+](C(C)C)CC2)c1C
DelComponent,Please remove a amide from the molecule CC(C)(CCNC(=O)C1CCCN(C(N)=O)C1)C(=O)[O-].,CC(C)(CCC1CCN(C(N)=O)C1)C(=O)[O-]
LogP,Optimize the molecule CC(C)C(c1ccccc1)C(Cl)Cl to have a lower LogP value.,CC(C)C(c1ccccc1)C(Cl)C#N
MR,Modify the molecule CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)C2=CCC(=O)NN2)cc1 to decrease its MR value.,CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)C2=CN2)cc1
QED,Modify the molecule O=C([O-])COc1c(-c2cc(C(=O)NCCCCCCCCc3ccccc3)cc(-c3ccc(F)c(Cl)c3)c2)ccc(F)c1Cl to decrease its QED value.,O=C([O-])COc1c(-c2cc(C(=O)NCCCCCCCCc3ccccc3)cc(-c3ccc(S)c(Cl)c3)c2)ccc(F)c1Cl
AtomNum,"There is a molecule composed of 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Nc1ccc(C(O)CNC(=O)C2CCCC2)cc1
BondNum,"The molecule contains 15 single bonds, 2 double bonds, and 5 rotatable bonds.",COC(=O)C1CN(C(=O)CCCCO)CCO1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 halo group, and 1 nitrile group.",N#Cc1c(Cl)cccc1N1Cc2ccccc2C1
AddComponent,Please add a benzene ring to the molecule CCCC(O)C[NH+]1CC2(CCOCC2)C1.,CCCC(O)C[NH+]1CC2(CCOCC2)C1c1ccccc1
SubComponent,Modify the molecule halo by substituting a COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)CCc1nc(-c2ccco2)no1 with a nitro.,COC(=O)CN(Cc1ccc(NO)cc1)C(=O)CCc1nc(-c2ccco2)no1
DelComponent,Please remove a amine from the molecule Cc1cc(C(N)=S)nc(N2CCNC(=O)C2(C)C)n1.,Cc1cc(C=S)nc(N2CCNC(=O)C2(C)C)n1
LogP,Optimize the molecule CCC(C)(C([NH2+]C)c1cc(C)ccc1C)N1CCCCC1 to have a lower LogP value.,CCC(C)(N1CCCCC1)C(C)(C)[NH2+]C
MR,Please modify the molecule CCO[Si](CCCCCC(=O)Oc1ccc(C=CC(=O)OC)cc1)(OCC)OCC to increase its MR value.,CCO[Si](CCCCC(C(=O)Oc1ccc(C=CC(=O)OC)cc1)c1ccccc1)(OCC)OCC
QED,Modify the molecule COc1ccc(C2=NN(c3ccccc3)C(c3ccco3)C2C(=O)OC2CC(C)CCC2C(C)(C)c2ccccc2)cc1 to have a lower QED value.,COc1ccc(C2=NN(c3ccccc3-c3ccccc3)C(c3ccco3)C2C(=O)OC2CC(C)CCC2C(C)(C)c2ccccc2)cc1
AtomNum,"There is a molecule composed of 19 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1cccc(CNC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)c1OC
BondNum,"There is a molecule composed of 17 single bonds, 1 double bond, 9 rotatable bonds, and 21 aromatic bonds.",Cc1cc2c(CCc3cc(Cc4ccc(C(F)(F)F)cc4)nn3C(C)C)noc2cc1OCC(=O)[O-]
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",CCc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1
AddComponent,Add a benzene ring to the molecule COc1cc2c3c(c1)C(CSc1nc(C)c4ccccc4n1)=CC(C)(C)N3C(=O)C2=O.,COc1cc2c3c(c1)C(CSc1nc(C)c4ccccc4n1)=CC(C)(Cc1ccccc1)N3C(=O)C2=O
SubComponent,Modify the molecule C[Si](C)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F by substituting a halo with a carboxyl.,C[Si](C)(O)CCC(F)(C(=O)[OH])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
DelComponent,Modify the molecule O=C(NOC1CCN(S(=O)(=O)N2CCCC(F)(F)C2)CC1)Nc1ccc(F)cc1 by removing a benzene ring.,O=C(NF)NOC1CCN(S(=O)(=O)N2CCCC(F)(F)C2)CC1
LogP,Please modify the molecule Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21 to decrease its LogP value.,Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3cc(O)cc(Cl)c3)ccc21
MR,Modify the molecule CC(C)CN1C=C(C(=O)[O-])CC(C)C1=O to have a lower MR value.,CC(C)C1CC=C(C(=O)[O-])C1
QED,Please optimize the molecule CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CC[NH2+]C)c1 to have a lower QED value.,CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(O)C[NH2+]C)c1
AtomNum,"The molecule has 29 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 3 fluorine atoms.",C=CC(=O)Nc1cccc(-c2cc3[nH]c(=O)n(-c4ccc(NC(=O)c5ccccc5C(F)(F)F)cc4)c3cn2)c1
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",CCn1cc(CN(C)C(=O)c2c(Cl)cnn2C)c(C)n1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ketone group, and 3 halo groups.",CC1(Cc2cccc(C(F)(F)F)c2)CCC(=O)C1
AddComponent,Add a hydroxyl to the molecule CCNC(NCC(CCO)CC(C)C)=[NH+]Cc1ccc(OC)nc1.,CCNC(NCC(CCO)CC(C)C)=[NH+]C(O)c1ccc(OC)nc1
SubComponent,Please substitute a hydroxyl in the molecule C=C(Cl)c1ccc(N2CCN(S(=O)(=O)c3cccc(C=CC(=O)CO)c3)CC2)cc1 with a carboxyl.,C=C(Cl)c1ccc(N2CCN(S(=O)(=O)c3cccc(C=CC(=O)CC(=O)[OH])c3)CC2)cc1
DelComponent,Please remove a amide from the molecule COCCNC(=O)CCNc1ccc(C(N)=S)c(C)c1.,COCCCNc1ccc(C(N)=S)c(C)c1
LogP,Please optimize the molecule COc1ccc(C(NC(=O)NCCc2cccc(Cl)c2)c2nccn2C)cc1 to have a lower LogP value.,COc1ccc(C(NC(=O)NCCc2cccc(S)c2)c2nccn2C)cc1
MR,Modify the molecule CCc1ccc(C(=O)C(C#N)c2ccccc2)o1 to have a higher MR value.,CCc1ccc(C(=O)C(C(=O)[OH])c2ccccc2)o1
QED,Modify the molecule CSC(CO)C(C)NC1CCCCC1C(F)(F)F to have a higher QED value.,CSC(C)C(C)NC1CCCCC1C(F)(F)F
AtomNum,"There is a molecule composed of 10 carbon atoms, 4 nitrogen atoms, 2 fluorine atoms, and 2 chlorine atoms.",Nc1cnc(Cl)nc1Nc1c(F)cc(F)cc1Cl
BondNum,"There is a molecule with 14 single bonds, 4 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",O=C(CCn1ccc(=O)[nH]c1=O)NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 1 nitrile group.",CC(C)(O)CCc1cccc(C(=O)N2CCC(C#N)CC2)c1
AddComponent,Add a benzene ring to the molecule CS(=O)(=O)N(CCC(=O)NC1CCCC1)C1CCCC1.,CS(=O)(=O)N(CCC(=O)NC1(c2ccccc2)CCCC1)C1CCCC1
SubComponent,Modify the molecule hydroxyl by substituting a CC1(O)CC[NH+](CC(=O)NCCCC(=O)[O-])C1 with a nitrile.,CC1(C#N)CC[NH+](CC(=O)NCCCC(=O)[O-])C1
DelComponent,Modify the molecule COc1ccc(C)c(C)c1-c1c(OC(=O)c2ccccc2)ccc(C)c1C by removing a benzene ring.,COc1ccc(C)c(C)c1-c1c(OC=O)ccc(C)c1C
LogP,Please modify the molecule Cc1ccc(O)c(NC(=S)NC(=O)CSc2ccc(Cl)cc2)c1 to decrease its LogP value.,Cc1ccc(O)c(NC(=S)NC(=O)CSCl)c1
MR,Please modify the molecule O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1nc2ccccc2[nH]1 to increase its MR value.,Nc1cccc2nc(NC(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3)[nH]c12
QED,Modify the molecule CC(C)(C)[NH2+]CC(=O)N1CCOCC1C(N)=O to have a higher QED value.,CC(C)(C)[NH2+]CC(=O)N1CCOC1
AtomNum,"The molecule consists of 10 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 chlorine atom.",CC(CC[NH3+])C(=O)Nc1cnccc1Cl
BondNum,"The molecule has 17 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC([NH2+]C1CCCCN(C(=O)OC(C)(C)C)C1)c1ccccc1
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,C[NH+]1CCC(N(CC[NH+](C)C(C)(C)C)C(=O)C(C)(C)C)CC1
AddComponent,Modify the molecule C[NH+](C)C(CNC(=O)C1(C)COCC1[NH3+])c1cccs1 by adding a benzene ring.,C[NH+](C)C(CNC(=O)C1(C)COCC1[NH3+])c1cc(-c2ccccc2)cs1
SubComponent,Substitute a halo in the molecule CCc1ccc(C2CC[NH2+]CC2c2cccc(F)c2)cc1 with a hydroxyl.,CCc1ccc(C2CC[NH2+]CC2c2cccc(O)c2)cc1
DelComponent,Please remove a benzene ring from the molecule CCc1nnc2ccc(N3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)nn12.,CCNC(=O)N1CCN(c2ccc3nnc(CC)n3n2)CC1
LogP,Please optimize the molecule CCN(c1ncncc1N)C(C)(C)C to have a higher LogP value.,CCN(c1ccncn1)C(C)(C)C
MR,Modify the molecule CC(C)[NH2+]CC(C)(C)Cc1cccc(Cl)c1F to have a lower MR value.,CC(C)[NH2+]CC(C)(C)Cc1ccccc1F
QED,Modify the molecule Cc1ccc(C2=NS(=O)(=O)c3ccccc32)cc1 to decrease its QED value.,CC1=NS(=O)(=O)c2ccccc21
AtomNum,"The molecule has 21 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CC(C)C(Oc1ccccc1)C(C)CC(C)(NC(=O)OC(C)(C)C)C(=O)[O-]
BondNum,"The molecule consists of 15 single bonds, 2 double bonds, 1 triple bond, and 3 rotatable bonds.",N#CCN1CCC(S(=O)(=O)N2CCCC2)CC1
FunctionalGroup,There is a molecule with and 1 sulfide group.,CCC(NC(=O)N1CCc2sccc2C1C)C(=O)[O-]
AddComponent,Add a benzene ring to the molecule Cc1ccc(S(=O)(=O)OCC2CC3C(CCC4(C)C(C#N)C5CC5C34)C3CCC(=O)C=C23)cc1.,Cc1ccc(S(=O)(=O)OCC2(c3ccccc3)CC3C(CCC4(C)C(C#N)C5CC5C34)C3CCC(=O)C=C32)cc1
SubComponent,Modify the molecule halo by substituting a Brc1cc2cnoc2cn1 with a thiol.,Sc1cc2cnoc2cn1
DelComponent,Please remove a Cc1ccc(-c2nn(C[NH+]3CCC(c4nncn4C)CC3)c(=S)n2C)cc1 from the molecule benzene ring.,Cc1nn(C[NH+]2CCC(c3nncn3C)CC2)c(=S)n1C
LogP,Please modify the molecule CC(C)(C)NC(=O)C1=Cc2cc(Br)ccc2OC1 to decrease its LogP value.,CC(C)(C)NC(=O)C1=Cc2cc(NO)ccc2OC1
MR,Optimize the molecule CC(CCO)SC1CCC1 to have a higher MR value.,CC(CCO)SC1CCC1O
QED,Please modify the molecule Nc1scc(-c2ccccc2)c1NC(=O)NCc1ccccc1 to decrease its QED value.,Nc1scc(-c2ccccc2)c1NC(=O)NCc1ccccc1CC=O
AtomNum,"The molecule has 23 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",COc1ccc(NC(=O)Cn2c(SCc3c(F)cccc3Cl)nc3ccncc32)cc1OC
BondNum,"Please generate a molecule composed of 9 single bonds, 6 rotatable bonds, and 10 aromatic bonds.",CC(C)[NH+](CCO)Cc1nc(-c2ccco2)no1
FunctionalGroup,"There is a molecule consisting of 2 thioether groups, and 1 sulfide group.",CCCCSC[N+]1=C(CCCC)N(CC)CC1
AddComponent,Please add a benzene ring to the molecule Cc1nc2ccccc2n1C(=S)SCc1ccccc1.,Cc1nc2ccccc2n1C(=S)SC(c1ccccc1)c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule COc1ccc(C(OCC2OC3C(C(=O)c4ccccc4C(=O)N(C(=O)C(C)C)c4nc(=O)c5ncn3c5[nH]4)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1 with a carboxyl.,COc1ccc(C(OCC2OC3C(C(=O)c4ccccc4C(=O)N(C(=O)C(C)C)c4nc(=O)c5ncn3c5[nH]4)C2C(=O)[OH])(c2ccccc2)c2ccc(OC)cc2)cc1
DelComponent,Please remove a halo from the molecule CCCCC1(O)C=C(F)C(O)C1.,CCCCC1(O)C=CC(O)C1
LogP,Optimize the molecule Nc1nccnc1-c1nn2c(C3CCCCC3)nnc2s1 to have a higher LogP value.,c1cnc(-c2nn3c(C4CCCCC4)nnc3s2)cn1
MR,Please optimize the molecule OCC1CCCC1[NH2+]Cc1ccoc1 to have a higher MR value.,SCC1CCCC1[NH2+]Cc1ccoc1
QED,Optimize the molecule Cn1c(=O)c2[nH]c(NC3CC3(C)C)nc2n(C)c1=O to have a lower QED value.,Cn1c(=O)c2[nH]c(NC3CC3(C)C)nc2n(CN)c1=O
AtomNum,"There is a molecule consisting of 21 carbon atoms, and 6 oxygen atoms.",COc1ccc(C(=O)C(Cc2ccccc2)=C(C(=O)[O-])C2=COCO2)cc1
BondNum,"Please generate a molecule with 13 single bonds, 3 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",O=C([O-])Cc1nc2c(n1CC(=O)[O-])CCC(C(=O)[O-])C2
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 amine groups.",C[NH+]=C(NCc1ccccc1C[NH+]1CC(C)OC(C)C1)N1CC[NH+](Cc2ccon2)CC1
AddComponent,Please add a benzene ring to the molecule CCOc1cc(C(=O)N2Cc3ccccc3C3(CC3)C2)ccc1OCC(=O)[O-].,O=C([O-])COc1ccc(C(=O)N2Cc3ccccc3C3(CC3)C2)cc1OCCc1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1cc(Cl)nc2c1nc(NC(=O)CCOC(C)(C)C)n2C1=CC=C1 with a carboxyl.,Cc1cc(C(=O)[OH])nc2c1nc(NC(=O)CCOC(C)(C)C)n2C1=CC=C1
DelComponent,Modify the molecule amine by removing a CCCc1cc(NN)nc(-c2ccoc2)n1.,CCCc1cc(N)nc(-c2ccoc2)n1
LogP,Optimize the molecule O=C([O-])C1CN(C(=O)C2CC=CCC2)c2ccccc21 to have a lower LogP value.,O=C([O-])C1c2ccccc2N(C(=O)C2CC=CCC2)C1O
MR,Modify the molecule C=CC(O)[NH+]1CCN(c2snc3c(F)c(-c4c(OC)ccc5ccccc45)c(Cl)cc23)CC1 to have a lower MR value.,C=CC[NH+]1CCN(c2snc3c(F)c(-c4c(OC)ccc5ccccc45)c(Cl)cc23)CC1
QED,Modify the molecule C[NH+]=C(NCCCOCCOC)N1CCC(CC(C)C)C1 to decrease its QED value.,C[NH+]=C(NCCCOCCOC)N1CC(CC=O)C(CC(C)C)C1
AtomNum,"The molecule contains 23 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",CCOc1ccccc1NC(=O)c1n[nH]nc1Nc1ccc(Oc2ccccc2)cc1
BondNum,"The molecule has 26 single bonds, 4 double bonds, and 8 rotatable bonds.",CCN(CC)C(=O)CCCC(=O)N1CCN(S(=O)(=O)N2CC(C)OC(C)C2)CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, and 1 amine group.",CC1(OC(=O)c2ccccc2N)CCCCC1
AddComponent,Add a hydroxyl to the molecule CCOC(=O)CP(CC)OCC.,CCOC(=O)CP(CC)OCCO
SubComponent,Substitute a halo in the molecule Cc1c(F)cc(C(=O)Nc2ccon2)cc1B(O)O with a thiol.,Cc1c(S)cc(C(=O)Nc2ccon2)cc1B(O)O
DelComponent,Please remove a amide from the molecule Cc1ccc(NC(=O)C([NH3+])C(C)C)c(Br)c1.,Cc1ccc(C(C)(C)[NH3+])c(Br)c1
LogP,Please modify the molecule CC(C)(C)c1csc(NC(=O)C2(C#N)CCCC2)n1 to decrease its LogP value.,CC(C)(CO)c1csc(NC(=O)C2(C#N)CCCC2)n1
MR,Modify the molecule CC(COCC(=O)N1C(=O)OCC1c1ccccc1)c1ccc(F)cc1 to decrease its MR value.,CC(COCC(=O)N1CCOC1=O)c1ccc(F)cc1
QED,Modify the molecule COc1ccc(CCC(C)N=C(C(O)c2ccc(O)cc2)S(C)=O)cc1 to decrease its QED value.,COc1ccc(CCC(C)N=C(C(NO)c2ccc(O)cc2)S(C)=O)cc1
AtomNum,"There is a molecule consisting of 41 carbon atoms, and 5 oxygen atoms.",CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCC=CCC=CCC=CCC=CCCCCC
BondNum,"Please generate a molecule consisting 10 single bonds, 1 triple bond, 4 rotatable bonds, and 6 aromatic bonds.",CC(O)C(C)SCc1ccc(C#CCO)cc1
FunctionalGroup,The molecule is composed of and 2 amide groups.,CN1C(=O)C(=O)NC2CCC[NH2+]C21
AddComponent,Modify the molecule COc1cc(C)c(C)cc1CNC(=O)C1(C#N)CC1 by adding a benzene ring.,COc1cc(C)c(C)cc1CNC(=O)C1(C#N)CC1c1ccccc1
SubComponent,Substitute a O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccon2)CC1 in the molecule nitro with a thiol.,O=[SH]c1cccc(CNC(=O)N2CC[NH+](Cc3ccon3)CC2)c1
DelComponent,Please remove a amine from the molecule NC(=[NH2+])SC1Oc2ccccc2N(O)C1=O.,[NH2+]=CSC1Oc2ccccc2N(O)C1=O
LogP,Modify the molecule CCCOc1cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OC to have a lower LogP value.,CCCOc1cc(C=C(C(=O)[OH])c2nc3cc(C)c(C)cc3[nH]2)ccc1OC
MR,Optimize the molecule C(=Cc1ccccc1)CP(c1ccccc1)c1ccccc1 to have a lower MR value.,C(=Cc1ccccc1)CPc1ccccc1
QED,Please optimize the molecule O=S(=O)(NCCn1ccn2nc(-c3ccco3)cc12)c1ccc(C(F)(F)F)cc1 to have a lower QED value.,O=S(=O)(NCCn1ccn2nc(-c3ccco3)cc12)c1ccc(C(F)F)cc1
AtomNum,"The molecule consists of 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)Oc1cccnc1N1CCc2cccc(N)c2C1
BondNum,"The molecule contains 8 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",C=CCN(Cc1ccccc1)C(=O)c1cc(C)n(-c2ccccc2)n1
FunctionalGroup,There is a molecule with and 1 hydroxyl group.,COC(C)=CC=CCC1(O)CC(C)CCC1C[NH+](C)C
AddComponent,Modify the molecule C#CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCCC3CC)cc2)sc2cc(C(=O)OCC)ccc21 by adding a benzene ring.,C#CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCCC3CC)c(-c3ccccc3)c2)sc2cc(C(=O)OCC)ccc21
SubComponent,Substitute a halo in the molecule O=C(Nc1ccc2c(c1)Nc1ccccc1CC2)C1CC(Sc2ccc(F)cc2)C[NH+]1Cc1ccncc1 with a hydroxyl.,O=C(Nc1ccc2c(c1)Nc1ccccc1CC2)C1CC(Sc2ccc(O)cc2)C[NH+]1Cc1ccncc1
DelComponent,Modify the molecule CCON(c1c(C)cccc1Br)C(C)C by removing a halo.,CCON(c1ccccc1C)C(C)C
LogP,Modify the molecule O=C(COc1ccccc1)Nc1ccc(Br)cc1C(=O)[O-] to decrease its LogP value.,O=C(COc1ccccc1)Nc1cc(O)c(Br)cc1C(=O)[O-]
MR,Modify the molecule CC[NH2+]Cc1cc(F)cc(N2CCCC([NH+](C)C)C2)c1 to have a higher MR value.,CC[NH2+]Cc1cc(NO)cc(N2CCCC([NH+](C)C)C2)c1
QED,Modify the molecule C#Cc1ccccc1C(C(=O)Nc1ccc2ccccc2c1)N(CC#N)C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C to decrease its QED value.,C#Cc1c(-c2ccccc2)cccc1C(C(=O)Nc1ccc2ccccc2c1)N(CC#N)C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C
AtomNum,"There is a molecule consisting of 11 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CC(C)c1nc(NN)cc(N(C)CCS(C)(=O)=O)n1
BondNum,"There is a molecule composed of 9 single bonds, 1 double bond, 6 rotatable bonds, and 23 aromatic bonds.",O=c1c2ccccc2c(-c2ccccc2)nn1CC(O)COc1c(Cl)cccc1Cl
FunctionalGroup,"The molecule contains 1 amide group, and 5 halo groups.",O=C(Nc1cnccc1Cl)C(F)(F)C(F)F
AddComponent,Modify the molecule COc1cccc(-c2noc(C3=C(C)N(CCC(C)C)C(=O)NC3c3ccccc3)n2)c1 by adding a benzene ring.,COc1cccc(-c2noc(C3=C(C)N(CCC(C)C)C(=O)NC3c3ccccc3-c3ccccc3)n2)c1
SubComponent,Modify the molecule nitrile by substituting a CCc1ccc(NC2=[NH+]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3C#N)S2)cc1 with a carboxyl.,CCc1ccc(NC2=[NH+]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3C(=O)[OH])S2)cc1
DelComponent,Modify the molecule halo by removing a C[NH2+]CC1CCN(C(=O)Cc2ccc(F)cc2)C1.,C[NH2+]CC1CCN(C(=O)Cc2ccccc2)C1
LogP,Please modify the molecule CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCC1CCN(c2ccc(F)c(F)c2)C1 to decrease its LogP value.,CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCC1CCN(c2ccc(NO)c(F)c2)C1
MR,Please optimize the molecule COc1cc(C2C(=C([O-])c3ccc4c(c3)OCO4)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)c(OC)c2c1OCO2 to have a lower MR value.,COc1cc(C(O)C(Cc2ccc3c(c2)OCO3)=C([O-])c2ccc3c(c2)OCO3)c(OC)c2c1OCO2
QED,Please modify the molecule O=C1CCCN1CC(=O)N1CCC(C2CC[NH+](CCc3ccccc3)CC2)C1 to increase its QED value.,O=C1CCCN1C1CCC1C1CC[NH+](CCc2ccccc2)CC1
AtomNum,"There is a molecule with 10 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Nc1cccc(N2CC([NH3+])CC2=O)c1
BondNum,"Please generate a molecule composed of 24 single bonds, 1 double bond, 9 rotatable bonds, and 6 aromatic bonds.",CC[NH+](CC)CCOc1ccc(CNC(=[NH+]C)N2CCC3(CCC3)C2)cc1OC
FunctionalGroup,"Please generate a molecule composed of 1 amide group, and 1 nitrile group.",N#CC1CCCN2C(=O)CCc3ccccc3C12
AddComponent,Please add a benzene ring to the molecule FC(F)(F)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)cc1.,FC(F)(F)c1ccc(C(=Nn2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)c2ccccc2)cc1
SubComponent,Modify the molecule COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C#N)c1 by substituting a nitrile with a carboxyl.,COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C(=O)[OH])c1
DelComponent,Remove a amide from the molecule CC(c1ccccc1)N(C)C(=O)CC1CCC[NH2+]1.,CC(c1ccccc1)C1(C)CCC[NH2+]1
LogP,Please optimize the molecule COc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4ccc(F)cc4C)ccc3C)CC2)cc1NC(=O)c1cccc(F)c1 to have a lower LogP value.,COc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4ccc(O)cc4C)ccc3C)CC2)cc1NC(=O)c1cccc(F)c1
MR,Modify the molecule CCC(C)(C(Cc1ccccc1Cl)[NH2+]C)N(C)C to increase its MR value.,C[NH2+]C(Cc1ccccc1Cl)C(C)(C(C)O)N(C)C
QED,Modify the molecule O=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(OC(F)(F)F)c2)cc1 to have a higher QED value.,FC(F)(F)Oc1cccc(-c2ccc(CCCc3ccc4cccnc4n3)cc2)c1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, and 7 nitrogen atoms.",CCc1nnc(-c2ccc(NC(=O)NCc3nncn3CC)cc2)o1
BondNum,"There is a molecule consisting of 10 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",COc1ccc2c(C)c(CCC(=O)NCc3ccccc3Cl)c(=O)oc2c1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, and 1 amine group.",Cc1cccc(OCCNC(=S)NC(=O)c2ccccc2)c1
AddComponent,Modify the molecule CC(C1CC1)n1nccc1NC(=O)c1ccc(C(C)(C)C)cc1 by adding a hydroxyl.,CC(C1CC1)n1nccc1NC(=O)c1ccc(C(C)(C)C)cc1O
SubComponent,Modify the molecule CC1CCCC(C(=O)NCC(O)C(C)C)C1 by substituting a hydroxyl with a halo.,CC1CCCC(C(=O)NCC(F)C(C)C)C1
DelComponent,Modify the molecule benzene ring by removing a COc1cccc(C(C[NH3+])N2CCCC2(C)C)c1.,COC(C[NH3+])N1CCCC1(C)C
LogP,Please modify the molecule O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2ccccc2F)o1 to decrease its LogP value.,O=C(Nc1ccc(Cl)c(C(F)F)c1)c1ccc(-c2ccccc2F)o1
MR,Modify the molecule CC(Cn1nnnc1C[NH3+])C1CC1 to increase its MR value.,CC(C1CC1)C(O)n1nnnc1C[NH3+]
QED,Modify the molecule CN1C(=C2SC(=[NH+]c3ccccc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21 to have a lower QED value.,CN1C(=C2SC(=[NH+]c3ccccc3)N(c3ccc(NO)cc3)C2=O)Sc2ccccc21
AtomNum,"There is a molecule with 12 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 2 chlorine atoms.",C[NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)s1
BondNum,"Please generate a molecule with 7 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(SC(C)(C)CCl)nc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, 1 amine group, 2 halo groups, and 1 sulfone group.",COC(=O)CCCS(=O)(=O)Nc1cc(Br)ccc1F
AddComponent,Modify the molecule CC(C)(C)OC(=O)N1CCCC(OCc2ccc([N+](=O)[O-])cc2)C1 by adding a benzene ring.,CC(C)(C)OC(=O)N1CCCC(OCc2ccc([N+](=O)[O-])cc2)C1c1ccccc1
SubComponent,Please substitute a thiol in the molecule O=C([O-])CC(NC(=O)C1CCCN1C(=O)C(CS)NC(=O)C1CCC[NH2+]1)C(=O)[O-] with a aldehyde.,CC(=O)CC(NC(=O)C1CCC[NH2+]1)C(=O)N1CCCC1C(=O)NC(CC(=O)[O-])C(=O)[O-]
DelComponent,Modify the molecule CCCNc1ncc(S(=O)(=O)Nc2nnc(C)o2)cn1 by removing a amine.,CCCc1ncc(S(=O)(=O)Nc2nnc(C)o2)cn1
LogP,Please optimize the molecule O=C1CC(Cc2cccc3cccnc23)C(=O)N1c1ccccc1 to have a lower LogP value.,O=C(O)C(c1cccc2cccnc12)C1CC(=O)N(c2ccccc2)C1=O
MR,Modify the molecule CCC=CC=CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=CCC=CCC)COP(=O)([O-])OCC[NH3+] to have a higher MR value.,CCC=CC=CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC=C(N)CC=CCC)COP(=O)([O-])OCC[NH3+]
QED,Modify the molecule CCCCCCCCCCCCCCCCCCNC(=O)NC([NH3+])CCCCC to have a lower QED value.,CCCCCCCCCCCCCCCCCCNC(=O)NC([NH3+])CCCCCO
AtomNum,"There is a molecule with 16 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 fluorine atoms.",O=C(NCCc1cc(F)cc(F)c1)C1CC2CCC1C2
BondNum,"The molecule is composed of 3 single bonds, 2 rotatable bonds, and 16 aromatic bonds.",[NH3+]Cc1cc(-c2nnc3ncccn23)ccn1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 halo group.",CN(C(=O)OC(C)(C)C)C(Cc1ccc(O)cc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1
AddComponent,Please add a amine to the molecule CC1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc2N1C(=O)C1CC1.,CC1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCCCCC4)CC3N)ccc2N1C(=O)C1CC1
SubComponent,Substitute a halo in the molecule Cc1ccc(N(Cc2ccc(C(F)(F)P(=O)([O-])[O-])c(C)c2)c2nnc(-c3cccc(Oc4cccc(C(=O)[O-])c4)c3)s2)cc1C with a thiol.,Cc1ccc(N(Cc2ccc(C(F)(S)P(=O)([O-])[O-])c(C)c2)c2nnc(-c3cccc(Oc4cccc(C(=O)[O-])c4)c3)s2)cc1C
DelComponent,Remove a halo from the molecule COC(OC)C(C)(O)Cc1cccc(C(F)(F)F)c1.,COC(OC)C(C)(O)Cc1cccc(C(F)F)c1
LogP,Optimize the molecule N#CC(C(=O)NCc1ccccc1C[NH+]1CCOCC1)C(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2 to have a lower LogP value.,O=C(NCc1ccccc1C[NH+]1CCOCC1)C(O)C(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2
MR,Modify the molecule CC(C)NC(=O)NCCS to decrease its MR value.,CC(C)NC(=O)NCCBr
QED,Please optimize the molecule Clc1cccc(Cc2noc(C3CSCC[NH2+]3)n2)c1 to have a lower QED value.,O=C([OH])c1cccc(Cc2noc(C3CSCC[NH2+]3)n2)c1
AtomNum,"The molecule has 20 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",C[NH+]=C(NCCCOCC(C)C)NCC(c1ccc(C)o1)[NH+]1CCCC1
BondNum,"Please generate a molecule consisting 21 single bonds, 5 double bonds, 4 rotatable bonds, and 24 aromatic bonds.",Cc1ccc(N2C(=O)C3C4c5ccccc5C(C=NNC(=O)C(=O)Nc5cc(C)ccc5C)(c5ccccc54)C3C2=O)cc1
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,C=CC(CCc1ccccc1)NC=O
AddComponent,Modify the molecule Nc1c(Cl)cc(F)cc1-c1cccc(F)c1 by adding a hydroxyl.,Nc1c(Cl)cc(F)cc1-c1ccc(O)c(F)c1
SubComponent,Please substitute a halo in the molecule Cc1cc(C)n(C(C)C(=O)Nc2ccc(NC(=O)CCOc3ccc(C(C)C)cc3)cc2Cl)n1 with a hydroxyl.,Cc1cc(C)n(C(C)C(=O)Nc2ccc(NC(=O)CCOc3ccc(C(C)C)cc3)cc2O)n1
DelComponent,Remove a benzene ring from the molecule CC1CC[NH2+]C(c2nc(CSc3ccc(Br)cc3)no2)C1.,CC1CC[NH2+]C(c2nc(CSBr)no2)C1
LogP,Please modify the molecule NC(=[NH+]O)C1(C(=O)N2CCC(CCO)C2)CCCC1 to decrease its LogP value.,NC(=[NH+]NO)C1(C(=O)N2CCC(CCO)C2)CCCC1
MR,Optimize the molecule Cc1cnc(Cl)nc1-c1cn(CC(C)[NH3+])c(C(=O)[O-])[nH+]1 to have a lower MR value.,Cc1cncnc1-c1cn(CC(C)[NH3+])c(C(=O)[O-])[nH+]1
QED,Please modify the molecule Cc1cccc(OCCNc2cc(Br)ccc2[N+](=O)[O-])c1 to decrease its QED value.,Cc1cccc(OCCNc2cc(C(=O)[OH])ccc2[N+](=O)[O-])c1
AtomNum,"Please generate a molecule composed of 26 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",CC(OC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(=O)Nc1ccccc1F
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",O=C([O-])C(Cc1cccc(Br)c1)Cc1ccc(Br)s1
FunctionalGroup,"The molecule contains 1 amide group, and 2 halo groups.",CC(C)[NH+]1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1
AddComponent,Please add a aldehyde to the molecule CC(NC(=O)Cc1ccccc1C(=O)[O-])C1CC1.,CC(NC(=O)Cc1ccccc1C(=O)[O-])C1CC1CC=O
SubComponent,Modify the molecule nitrile by substituting a N#Cc1cccc(OCC(O)C[NH2+]C2CNC(=O)C2)c1 with a aldehyde.,CC(=O)c1cccc(OCC(O)C[NH2+]C2CNC(=O)C2)c1
DelComponent,Please remove a benzene ring from the molecule CN(c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1)S(=O)(=O)c1cccs1.,CN(C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1
LogP,Modify the molecule CCc1ccc(N(C)CCC2CCCC2[NH2+]C)cc1 to have a lower LogP value.,CCN(C)CCC1CCCC1[NH2+]C
MR,Please optimize the molecule O=C(COc1ccccc1CNc1ccc(F)cc1)Nc1ccc(Cl)cc1 to have a lower MR value.,Fc1ccc(NCc2ccccc2Oc2ccc(Cl)cc2)cc1
QED,Optimize the molecule C[NH+]1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CC[NH+](CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(F)c3)cc2[N+](=O)[O-])CC1 to have a lower QED value.,CC(=O)c1ccc(C2=C(C[NH+]3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NC6CC[NH+](C)CC6)c([N+](=O)[O-])c5)c(Oc5cccc(F)c5)c4)CC3)CCC(C)(C)C2)cc1
AtomNum,"The molecule is composed of 20 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COc1cc(-c2cc(C(=O)[O-])c3c(-c4ccccc4)[nH]nc3n2)ccc1O
BondNum,"The molecule has 14 single bonds, 3 double bonds, and 5 rotatable bonds.",COC1C(CC[NH+](C)C)=CC=CC1OC(C)=O
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 2 halo groups.",CCC1(C[NH2+]CC(=O)Nc2c(F)cccc2F)CC1
AddComponent,Add a benzene ring to the molecule CCc1c(C(C)(C)C)cc(C)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1.,CCc1c(C(C)(C)C)cc(C)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a CCNc1ncc(Br)c(NN2CC[NH+](C)CC2)n1 with a nitrile.,CCNc1ncc(C#N)c(NN2CC[NH+](C)CC2)n1
DelComponent,Remove a halo from the molecule Cn1c(O)cn(CC2CC=C(c3ccc4c(c3Br)N[N+]4=CC3CC3)CC2)c1=O.,Cn1c(O)cn(CC2CC=C(c3ccc4c(c3)N[N+]4=CC3CC3)CC2)c1=O
LogP,Please modify the molecule CN(C)S(=O)(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 to decrease its LogP value.,CN(C)S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1
MR,Please optimize the molecule CC1NC(=O)C(C(C)C)N(CCc2ccccc2)C1=O to have a lower MR value.,CCN1C(=O)C(C)NC(=O)C1C(C)C
QED,Please optimize the molecule COc1cc(NC(=O)C(C)(C)c2ccc(Br)cc2)ccc1NS(C)(=O)=O to have a higher QED value.,COc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1NS(C)(=O)=O
AtomNum,"The molecule is composed of 41 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",Cc1cccc(C(=O)Nc2cc(NC(=O)CCNC(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(C(=O)NC5CCCCC5)cc4C)CC3)ccc2C)c1
BondNum,"The molecule contains 15 single bonds, 1 double bond, and 6 rotatable bonds.",CCC(CC)C(=O)N(CC[NH3+])C1CCCC1
FunctionalGroup,"Please generate a molecule consisting 4 benzene ring groups, 1 amide group, 1 halo group, and 1 sulfone group.",Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCCOc2ccccc2C)cc1
AddComponent,Please add a hydroxyl to the molecule CN(CCC(=O)[O-])C(=O)c1sccc1Br.,CN(C(=O)c1sccc1Br)C(O)CC(=O)[O-]
SubComponent,Modify the molecule halo by substituting a COc1ccccc1OC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C with a hydroxyl.,COc1ccccc1OC(C)c1nnc(SCc2ccc(O)c(Cl)c2)n1C
DelComponent,Remove a benzene ring from the molecule O=C(OCc1ccccc1)N1CC2CC1(Cn1ccnc1)C2.,COC(=O)N1CC2CC1(Cn1ccnc1)C2
LogP,Modify the molecule C[NH2+]C(C#CCCC1SCCCS1)CCc1ccccc1 to decrease its LogP value.,CCC(C#CCCC1SCCCS1)[NH2+]C
MR,Please modify the molecule CSCC(C)(O)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 to decrease its MR value.,CSCC(C)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
QED,Modify the molecule O=C(c1ccn[nH]1)N1CC[NH+](CCOCc2ccccc2)CC(O)C1 to increase its QED value.,N#CC1CN(C(=O)c2ccn[nH]2)CC[NH+](CCOCc2ccccc2)C1
AtomNum,"There is a molecule composed of 10 carbon atoms, and 2 nitrogen atoms.",Cc1nc2c(C)c(C)ccc2[nH]1
BondNum,"The molecule has 19 single bonds, 3 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CNS(=O)(=O)c1cc(C(=O)NCc2ccc(OCC3CCCO3)c(OC)c2)ccc1OC
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 halo group.",O=C1NC2(CI)CCC1C2
AddComponent,Modify the molecule CCCC(C[NH2+]C1CC1)N(C)CC1CC[NH+](C)CC1 by adding a hydroxyl.,CCCC(C[NH2+]C1CC1)N(C)CC1CC[NH+](C)C(O)C1
SubComponent,Substitute a hydroxyl in the molecule O=S(=O)(NCC1CCCC1)c1ccccc1C#CCO with a nitrile.,N#CCC#Cc1ccccc1S(=O)(=O)NCC1CCCC1
DelComponent,Please remove a amine from the molecule NS(=O)(=O)c1ccc(NC(=O)c2nc3ccccc3nc2C(=O)N2CCOCC2)cc1.,O=C(Nc1ccc([SH](=O)=O)cc1)c1nc2ccccc2nc1C(=O)N1CCOCC1
LogP,Modify the molecule CC(C)(C)c1ccc(COCc2ccccc2C(C)(C)C)cc1CO to increase its LogP value.,Cc1cc(COCc2ccccc2C(C)(C)C)ccc1C(C)(C)C
MR,Modify the molecule C[n+]1ccn(CI)c1N=Nc1ccc(N)cc1 to increase its MR value.,Nc1ccc(N=Nc2n(CI)cc[n+]2CCC=O)cc1
QED,Please optimize the molecule O=C(NN=C1CC2CCC1C2)c1ccccc1 to have a lower QED value.,O=CNN=C1CC2CCC1C2
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCC[NH2+]C1CCCCc2nc(COC)ncc21
BondNum,"Please generate a molecule composed of 11 single bonds, 2 double bonds, 10 rotatable bonds, and 33 aromatic bonds.",C=CCn1cc(C(=O)CCc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C)c2ccccc21
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 hydroxyl group, and 1 amide group.",COc1ccc(C2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccc(C(C)C)c(C)c2)c(OC)c1
AddComponent,Please add a carboxyl to the molecule CC(C)(C)C1(C)C[NH2+]CC1CCCB1OC(C)(C)C(C)(C)O1.,CC(C)(CC(=O)O)C1(C)C[NH2+]CC1CCCB1OC(C)(C)C(C)(C)O1
SubComponent,Substitute a Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1N1CCC(C(C)(C)F)CC1 in the molecule halo with a carboxyl.,Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)C(=O)[OH])cn3)c2C)cnc1N1CCC(C(C)(C)F)CC1
DelComponent,Please remove a CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(CC3COc4ccccc4O3)c2)c(C)c1 from the molecule amine.,CC(=O)Nc1ccc(S(=O)(=O)c2cnn(CC3COc4ccccc4O3)c2)c(C)c1
LogP,Modify the molecule CC(O)CNC(=O)CCn1c(=S)[nH]c2ccccc2c1=O to have a higher LogP value.,CC(O)CNC(=O)CC(c1ccccc1)n1c(=S)[nH]c2ccccc2c1=O
MR,Modify the molecule CC(C)c1ccccc1N1CCOC(c2cc(F)c(C(C)C)c(F)c2)C1 to have a higher MR value.,CC(C)c1cc(O)ccc1N1CCOC(c2cc(F)c(C(C)C)c(F)c2)C1
QED,Please modify the molecule CCCC1NC(=O)CCN(c2ccc(Cl)c(F)c2)C1=O to decrease its QED value.,CCCC1NC(=O)CCN(c2ccc(C#N)c(F)c2)C1=O
AtomNum,"There is a molecule with 23 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(N2CCOCC2)cc1
BondNum,"There is a molecule with 15 single bonds, 1 double bond, 8 rotatable bonds, and 17 aromatic bonds.",CC(c1ccc(F)cc1)N(C)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1
FunctionalGroup,There is a molecule with and 1 amide group.,CCOc1cccn2c(C(=O)N3c4ccccc4CC3C)c(CC)nc12
AddComponent,Modify the molecule CC=CC(C#CC(C)(C)O)=CC by adding a amine.,CC=C(C#CC(C)(C)O)C=C(C)N
SubComponent,Modify the molecule halo by substituting a C=CCC(F)(CCCCCC(=O)NC(C[NH+]1CCCC1)C(O)c1ccc2c(c1)OCCO2)C1CC1 with a thiol.,C=CCC(S)(CCCCCC(=O)NC(C[NH+]1CCCC1)C(O)c1ccc2c(c1)OCCO2)C1CC1
DelComponent,Modify the molecule COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1 by removing a halo.,COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1
LogP,Please optimize the molecule O=C(CSc1cccc(NC(=O)N2c3ccccc3SC3C=CC=CC32)c1)c1ccc(Br)cc1 to have a lower LogP value.,O=C(CSc1cccc(NC(=O)N2c3ccccc3SC3C=CC=CC32)c1)c1ccccc1
MR,Modify the molecule CC(CCc1ccc(OC(C)C)cc1)NC(=O)N1CCC(C)C(O)C1 to decrease its MR value.,CC1CCN(C(=O)NC(C)CCc2ccc(OC(C)C)cc2)CC1
QED,Modify the molecule O=C(c1ccc(F)c(F)c1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1 to have a lower QED value.,Nc1cc(OS(=O)(=O)c2cccc3cnccc23)ccc1Cn1c(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc(=O)[nH]c1=O
AtomNum,"The molecule contains 18 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=C([O-])CCc1cc2n(n1)CCCN(C(=O)CCCc1cccs1)C2
BondNum,"The molecule is composed of 12 single bonds, 1 rotatable bond, and 6 aromatic bonds.",Cc1nc(N)cnc1B1OC(C)(C)C(C)(C)O1
FunctionalGroup,"Please generate a molecule with 1 amide group, 1 thioether group, and 1 sulfide group.",CC(Cn1ccnc1)NC(=O)CN1CCSC1=O
AddComponent,Add a amine to the molecule Cc1c(C(=O)Nc2cccc(F)c2)[nH]c2ccc(Cl)cc12.,Cc1c(C(=O)Nc2cccc(F)c2)[nH]c2cc(N)c(Cl)cc12
SubComponent,Modify the molecule C[NH+]1CCC2(CCN(c3nc(Nc4ccc(Cl)cc4)ncc3[N+](=O)[O-])C2)C1 by substituting a halo with a thiol.,C[NH+]1CCC2(CCN(c3nc(Nc4ccc(S)cc4)ncc3[N+](=O)[O-])C2)C1
DelComponent,Remove a amide from the molecule CC1NC(=O)C(C)(C)N(CCc2[nH+]ccn2C)C1=O.,CCC1(C)C(=O)N1CCc1[nH+]ccn1C
LogP,Please optimize the molecule Fc1ccn2cc(C3CC3c3cn4ccc(F)cc4[nH+]3)[nH+]c2c1 to have a lower LogP value.,N#Cc1ccn2cc(C3CC3c3cn4ccc(F)cc4[nH+]3)[nH+]c2c1
MR,Optimize the molecule CC(=O)N(C(=O)C1CC(=O)N(CCC(C)C)C1)c1ccc(N)cc1 to have a lower MR value.,CC(=O)N(C(=O)C1CC(=O)N(CCC(C)C)C1)c1ccccc1
QED,Please modify the molecule CC(NC(=O)CN1CC[NH2+]CC1C)C(=O)N(C)C to increase its QED value.,CC1C[NH2+]CCN1C(C)C(=O)N(C)C
AtomNum,"The molecule has 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",C[NH+]1CCC2(CCCN2C(=O)c2cccs2)CC1
BondNum,"The molecule consists of 8 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",Cc1nn(CCC(=O)Nc2ccn(C)n2)cc1Cl
FunctionalGroup,There is a molecule with and 1 hydroxyl group.,C[NH+](CCO)Cc1noc(C2CCCCC2)n1
AddComponent,Add a hydroxyl to the molecule C1=Cc2c(oc3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6-c6ccc7oc8ccccc8c7c6)c6ccccc56)cc4)cc23)CC1.,Oc1cc(-c2c3ccccc3c(-c3ccccc3-c3ccc4oc5ccccc5c4c3)c3ccccc23)ccc1-c1ccc2oc3c(c2c1)C=CCC3
SubComponent,Modify the molecule halo by substituting a CC(=O)n1ncc2c(Nc3c(-c4ncccn4)oc4cnccc34)cc(Cl)cc21 with a nitrile.,CC(=O)n1ncc2c(Nc3c(-c4ncccn4)oc4cnccc34)cc(C#N)cc21
DelComponent,Please remove a CC(CC(=O)NCCc1ccc(F)cc1)NC(=O)c1ccccc1 from the molecule halo.,CC(CC(=O)NCCc1ccccc1)NC(=O)c1ccccc1
LogP,Modify the molecule CC1CN(c2ccc(CNC(=O)CCN3C(=O)c4ccccc4C3=O)cn2)CCO1 to increase its LogP value.,CC1OCCN(c2ccc(CNC(=O)CCN3C(=O)c4ccccc4C3=O)cn2)C1c1ccccc1
MR,Please optimize the molecule CCc1ccc(CC(CSc2ccccc2)NN)nc1 to have a lower MR value.,CCc1ccc(CC(CS)NN)nc1
QED,Modify the molecule Cc1c(CC(=O)[O-])c(=O)oc2c(F)c([O-])c(F)cc12 to decrease its QED value.,Cc1c(C(CC=O)C(=O)[O-])c(=O)oc2c(F)c([O-])c(F)cc12
AtomNum,"There is a molecule composed of 11 carbon atoms, 2 oxygen atoms, and 1 chlorine atom.",COc1ccc(Cl)cc1CCC1CO1
BondNum,"The molecule contains 13 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCOc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)(C)C)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 1 amine group, and 1 sulfone group.",CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C=Cc2ccc(C(C)C)cc2)cc1
AddComponent,Modify the molecule COc1cccc(C(=O)N2CC(c3nc(-c4cccnc4N(C)C)no3)C2)c1OC by adding a hydroxyl.,COc1cccc(C(=O)N2CC(c3nc(-c4cccnc4N(C)CO)no3)C2)c1OC
SubComponent,Modify the molecule halo by substituting a Fc1ccc([P+](F)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 with a carboxyl.,O=C([OH])c1ccc([P+](F)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(NC(=O)NCc2nc(-c3ccccc3)oc2C)c(Cl)c1.,Cc1ccc(NC(=O)NCc2ncoc2C)c(Cl)c1
LogP,Please optimize the molecule CCCC(CBr)(CBr)Cc1ccco1 to have a lower LogP value.,CCCC(CS)(CBr)Cc1ccco1
MR,Modify the molecule Cc1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1NS(C)(=O)=O to have a lower MR value.,CN(NS(C)(=O)=O)C(=O)c1ccc(Cn2cncn2)cc1
QED,Please optimize the molecule Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1C(=O)NCC(C)C to have a higher QED value.,Cc1nc(-c2ccsc2)sc1C(=O)NC(=O)NCC(C)C
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 chlorine atoms.",CCC(C)Oc1c(Cl)cc(C=C(C#N)c2ccc(Cl)cc2)cc1OC
BondNum,"There is a molecule composed of 23 single bonds, 1 double bond, 7 rotatable bonds, and 22 aromatic bonds.",CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(CC(c4ccc(OC(F)(F)F)cc4)C3)C2)c(F)c1
FunctionalGroup,"The molecule is composed of 1 ester group, and 3 halo groups.",COC(=O)C(CCN1CCCC(C(F)(F)F)C1)[NH2+]C1CC1
AddComponent,Add a amine to the molecule COC1(C(=O)N2CCSC(C)C2)CC[NH2+]CC1.,CC1CN(C(=O)C2(OCN)CC[NH2+]CC2)CCS1
SubComponent,Substitute a Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CNc1ccnc(N2CCCC2)n1 in the molecule halo with a nitrile.,N#Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CNc1ccnc(N2CCCC2)n1
DelComponent,Please remove a CC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1 from the molecule nitrile.,CC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1cccc(Cl)c1
LogP,Modify the molecule CCCNC(=O)CCCOc1ccc(-c2cnn(C)c2)cc1 to have a higher LogP value.,CCCNC(=O)CCCOc1ccc(-c2cnn(C)c2-c2ccccc2)cc1
MR,Please optimize the molecule CC(C)[NH+]1CCCC1n1c(=O)[nH]c2c(F)cccc21 to have a higher MR value.,CC(C)[NH+]1CCCC1n1c(=O)[nH]c2ccccc21
QED,Modify the molecule O=[N+]([O-])c1cnc2ccc(NC3CC=CC3)nn12 to have a lower QED value.,O=[N+]([O-])c1cnc2ccc(C3CC=CC3)nn12
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",C[NH+](C)C1(CNC(=O)N2CCCC(c3n[nH]c(C4CCCCC4)n3)C2)CCC1
BondNum,"Please generate a molecule consisting 21 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",O=C(NCC1=CCC(c2ccccc2)S1)C(O)C(O)C(=O)N1CCCC1c1cccc(Cl)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 sulfide group.",CCn1c(C(=O)Nc2ccccc2OC)cc2sccc21
AddComponent,Please add a hydroxyl to the molecule CS(=O)(=O)NCCn1ccc(=O)nc1SCC(=O)[O-].,CS(=O)(=O)NCCn1cc(O)c(=O)nc1SCC(=O)[O-]
SubComponent,Please substitute a CC(C)CN(NC(=O)OCc1ccccc1)C(=O)CN(Cc1ccccc1)NC(=O)CBr in the molecule halo with a nitro.,CC(C)CN(NC(=O)OCc1ccccc1)C(=O)CN(Cc1ccccc1)NC(=O)CNO
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccccc1NC(=O)Nc1ccc(C)c(C)c1.,CCNC(=O)Nc1ccccc1OCC
LogP,Please optimize the molecule CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1F to have a lower LogP value.,CCCCCC(=O)NC(=S)Nc1ccc(S)cc1F
MR,Modify the molecule CCOc1cccc2c1NC(=O)CC(CC)N2 to have a higher MR value.,CCC1CC(=O)Nc2c(cccc2OC(C)O)N1
QED,Optimize the molecule CC1(C)CC(=CC(=O)[O-])c2cc(F)ccc21 to have a lower QED value.,CC1(C)CC(=CC(=O)[O-])c2ccccc21
AtomNum,"There is a molecule with 19 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCCCCCC[NH+](CC)CCCCc1ccc([N+](=O)[O-])cc1
BondNum,"There is a molecule consisting of 15 single bonds, and 5 rotatable bonds.",COCC1OCC(COC)(C(C)C)CO1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ketone group, and 6 halo groups.",Cn1cc(C(=O)C(Br)(Br)Br)c(=O)c(-c2cccc(C(F)(F)F)c2)c1
AddComponent,Modify the molecule C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=O)Cc4ccc(Cl)cc4)cc(c23)C1=O by adding a hydroxyl.,C[NH+](CO)CCN1C(=O)c2cccc3cc(NC(=O)Cc4ccc(Cl)cc4)cc(c23)C1=O
SubComponent,Modify the molecule halo by substituting a Clc1cc(-c2cnc3[nH]cccc2-3)cc(NCCOc2ccccc2)n1 with a nitro.,ONc1cc(-c2cnc3[nH]cccc2-3)cc(NCCOc2ccccc2)n1
DelComponent,Modify the molecule O=C(COC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1F by removing a amide.,O=C(Oc1ccc(F)cc1F)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
LogP,Please optimize the molecule CCCCCCCCCC=CCOc1cnc(-c2ccc(OCCCCOCCC)cc2)nc1 to have a higher LogP value.,CCCCCCCC(CC=CCOc1cnc(-c2ccc(OCCCCOCCC)cc2)nc1)c1ccccc1
MR,Please modify the molecule Cc1cccc(C(C[NH3+])C(O)c2ccccc2Br)c1 to decrease its MR value.,Cc1cccc(C(C[NH3+])C(O)Br)c1
QED,Modify the molecule CCn1cc(C)[nH+]c1Nc1ccc2c(c1)CCC2 to decrease its QED value.,CCn1cc(C)[nH+]c1-c1ccc2c(c1)CCC2
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1cc(C(CC(c2cccc(-c3ccc(C(=O)[O-])nc3)c2)c2ccccc2C)N=O)ccn1
BondNum,"Please generate a molecule with 16 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CN(CC1CCCC1)c1ccc(Cl)cc1C[NH2+]C1CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 3 halo groups.",CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccccc1OC(F)(F)F)C2
AddComponent,Please add a hydroxyl to the molecule O=C([O-])CC1CCCN(C(=O)CNc2ccccc2)C1.,O=C([O-])CC1CCC(O)N(C(=O)CNc2ccccc2)C1
SubComponent,Please substitute a halo in the molecule Cc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C23C(=O)N(C)c2ccccc23)s1 with a nitrile.,Cc1nnc(N2C(=O)c3oc4ccc(C#N)cc4c(=O)c3C23C(=O)N(C)c2ccccc23)s1
DelComponent,Modify the molecule CC(C)(C)CC1CC2=C(OC3(CCC3)CC2[NH3+])C(Cl)=N1 by removing a halo.,CC(C)(C)CC1CC2=C(C=N1)OC1(CCC1)CC2[NH3+]
LogP,Please modify the molecule CCC1Oc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2CN(CCc2ccccc2OC)C1=O to increase its LogP value.,CCC1Oc2ccc(S(=O)(=O)c3cccc(Cl)c3)cc2CN(CCc2ccccc2OC)C1=O
MR,Modify the molecule CC[NH+](CC)CCNC(=O)c1cc2nc(C)cc(C(F)(F)C(F)(F)F)n2n1 to increase its MR value.,CC[NH+](CC)CCNC(=O)c1cc2nc(C)cc(C(F)(C#N)C(F)(F)F)n2n1
QED,Please modify the molecule O=C(CCCc1nnc(-c2ccccc2)o1)N1CCOc2ccccc21 to decrease its QED value.,O=C(CCCc1nnc(-c2cccc(-c3ccccc3)c2)o1)N1CCOc2ccccc21
AtomNum,"The molecule is composed of 12 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCC([NH2+]CC(O)COCCOC)c1nccs1
BondNum,"There is a molecule composed of 8 single bonds, 5 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=C(CNc1n[nH]c(=O)[nH]c1=O)NN=Cc1ccc([N+](=O)[O-])cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, and 2 ester groups.",O=C(C=CO)OCCOC(=O)c1ccccc1C(=O)[O-]
AddComponent,Add a amine to the molecule CC1CC(C)n2nc3c(c2N1)CCCN3.,CC1CC(C)(N)n2nc3c(c2N1)CCCN3
SubComponent,Substitute a O=C1c2ccc(C(=O)N3CCCCC3CCO)cc2C(=O)N1Cc1ccccc1 in the molecule hydroxyl with a thiol.,O=C1c2ccc(C(=O)N3CCCCC3CCS)cc2C(=O)N1Cc1ccccc1
DelComponent,Remove a O=C([O-])C=C(C(=O)[O-])N1C=Cc2c(cccc2S(=O)(=O)NCC[NH2+]CC=Cc2ccccc2)C1 from the molecule benzene ring.,C=CC[NH2+]CCNS(=O)(=O)c1cccc2c1C=CN(C(=CC(=O)[O-])C(=O)[O-])C2
LogP,Optimize the molecule CC1(CNc2c(N)c[nH+]cc2Br)CCCC1 to have a lower LogP value.,CC1(CNc2cc[nH+]cc2N)CCCC1
MR,Optimize the molecule COc1cc(C(C)=O)ccc1OCCCC[NH+]1CCC(c2noc3ccccc23)CC1I to have a lower MR value.,COc1cc(C(C)=O)ccc1OCCCC[NH+]1CCC(c2noc3ccccc23)CC1
QED,Modify the molecule Clc1cc(CN2CC[NH2+]CC2)ccc1OC1CCC1 to have a lower QED value.,Clc1cc(C(c2ccccc2)N2CC[NH2+]CC2)ccc1OC1CCC1
AtomNum,"There is a molecule with 10 carbon atoms, 3 nitrogen atoms, and 1 bromine atom.",CCc1nn(C)c(CC2C[NH2+]C2)c1Br
BondNum,"The molecule has 23 single bonds, 4 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",CC1CCCC(C)[NH+]1C1CC(=O)N(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2)C1=O
FunctionalGroup,"There is a molecule composed of 1 amine group, 2 thioether groups, 1 nitrile group, and 1 sulfide group.",CNC(C)(C#N)CCSCC(C)C
AddComponent,Add a carboxyl to the molecule CC(C)CCC(C)Nc1cc[nH+]c(N)c1.,CC(CCC(C)Nc1cc[nH+]c(N)c1)CC(=O)O
SubComponent,Modify the molecule halo by substituting a C[NH+](C)CCCc1cc(Cl)c2c(O)n(Cc3ccc(Oc4ccccc4)cc3)cc2c1 with a nitro.,C[NH+](C)CCCc1cc(NO)c2c(O)n(Cc3ccc(Oc4ccccc4)cc3)cc2c1
DelComponent,Modify the molecule halo by removing a COc1cccc(F)c1C(C)[NH2+]Cc1sccc1C.,COc1ccccc1C(C)[NH2+]Cc1sccc1C
LogP,Please optimize the molecule CCN(CCCCO)c1cc(=O)[nH]c(=O)[nH]1 to have a higher LogP value.,CCN(CCCCC#N)c1cc(=O)[nH]c(=O)[nH]1
MR,Modify the molecule COc1cc2c(c(OC)c1)C(O)(CC(=O)[O-])CCN2 to decrease its MR value.,COc1cc2c(c(OC)c1)C(O)(CC(=O)[O-])CC2
QED,Optimize the molecule CC(CCC(=O)[O-])NC(=O)NCCCSCc1ccnc(F)c1 to have a higher QED value.,CC(CCC(=O)[O-])NC(=O)NCCCSCc1ccncc1
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",O=C(CCCNC(=O)c1ccsc1)Nc1ccc(F)cc1F
BondNum,"Please generate a molecule consisting 10 single bonds, 1 triple bond, 7 rotatable bonds, and 6 aromatic bonds.",CCCNC(C#N)(CCOC)c1ccccc1
FunctionalGroup,The molecule consists of and 1 benzene ring group.,COc1cc(C[NH3+])ccc1OC(=O)OC(C)(C)C
AddComponent,Add a benzene ring to the molecule Cc1noc(C)c1C(=O)N(C)CC1CC[NH+](C)C1c1cccnc1.,Cc1noc(C)c1C(=O)N(C)CC1CC[NH+](C)C1c1cccnc1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a CCC(C(=O)[O-])N(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] with a aldehyde.,CC(=O)C(F)(F)c1cc(N(C)C(CC)C(=O)[O-])c([N+](=O)[O-])cn1
DelComponent,Modify the molecule [NH3+]Cc1cccc2scc(COc3ccc(F)cc3)c12 by removing a halo.,[NH3+]Cc1cccc2scc(COc3ccccc3)c12
LogP,Optimize the molecule CC(C)(C)OC(=O)N1CCC(OC(=O)Nc2scnc2-c2ccccc2)CC1 to have a lower LogP value.,CC(C)(C)OC(=O)N1CCC(OC(=O)Nc2cncs2)CC1
MR,Please modify the molecule CCCCCCCC=CCCCCCCC(=O)OCC(O)CO to increase its MR value.,CC(O)CCCCCC=CCCCCCCC(=O)OCC(O)CO
QED,Modify the molecule CCC([NH3+])C(c1ccncc1)N1CCCC1CCCO to decrease its QED value.,CCC([NH3+])C(c1ccncc1)N1CCCC1(CC=O)CCCO
AtomNum,"There is a molecule composed of 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCC(CC)c1nc(CC[NH+]2CCCC2)sc1C(=O)[O-]
BondNum,"There is a molecule consisting of 23 single bonds, 3 double bonds, 11 rotatable bonds, and 16 aromatic bonds.",CCCCc1nc(C(=O)[O-])c(C(F)(F)C(F)(F)F)n1CC1(c2nn[n-]n2)C=CC(OCc2ccccc2)=CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",CC1CC(=O)N(Cc2cc(N)cc(F)c2)C1
AddComponent,Please add a benzene ring to the molecule CC[NH2+]Cc1sc(S(=O)(=O)NCC(C)OC)cc1C.,CC[NH2+]Cc1sc(S(=O)(=O)NCC(C)OC)cc1Cc1ccccc1
SubComponent,Substitute a halo in the molecule CCC(C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 with a aldehyde.,CC(=O)c1ccc(CN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)C(CC)C(=O)NCC(C)C)cc1
DelComponent,Remove a amide from the molecule COCC1=CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1.,COCC1=CC[NH+](c2nc3c(s2)CCC3)CC1
LogP,Please optimize the molecule O=C1SC(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1Cc1ccccc1Cl to have a higher LogP value.,O=C1SC(=Cc2cc(-c3ccccc3)c(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1Cc1ccccc1Cl
MR,Please optimize the molecule COC(=O)c1ccc(COc2cc(F)ccc2F)nc1 to have a higher MR value.,COC(=O)c1ccc(COc2cc(C#N)ccc2F)nc1
QED,Optimize the molecule COC(=O)c1ccc(OCCCOc2ccccc2)cc1 to have a higher QED value.,COC(=O)c1ccc(OCCCO)cc1
AtomNum,"There is a molecule composed of 9 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CCn1ncc(Br)c1C([NH3+])CCSC
BondNum,"There is a molecule composed of 23 single bonds, 6 double bonds, and 14 rotatable bonds.",CC(O)C(NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(CCC(=O)[O-])C(=O)NCC(=O)[O-]
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",Cc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)N(C)c2ccccc2)n1
AddComponent,Please add a hydroxyl to the molecule COC(=O)C(NC(=O)CSCc1ccc(C)cc1)C(C)C.,COC(=O)C(NC(=O)CSC(O)c1ccc(C)cc1)C(C)C
SubComponent,Substitute a halo in the molecule Cc1cc(C#CC(C)(C)OCC(=O)[O-])ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(C#N)c1 with a thiol.,Cc1cc(C#CC(C)(C)OCC(=O)[O-])ccc1NC(=O)COc1ccc(S)cc1C(=O)c1cc(Cl)cc(C#N)c1
DelComponent,Modify the molecule halo by removing a CC=CC(Br)c1cccs1.,CC=CCc1cccs1
LogP,Modify the molecule O=C([O-])N1CCc2[nH]c(-c3ccc(Cl)nc3)nc(=O)c2C1 to have a lower LogP value.,O=C([O-])N1CCc2[nH]c(-c3cccnc3)nc(=O)c2C1
MR,Please optimize the molecule O=C([O-])CC1(c2cccc(CCF)c2)CC1 to have a lower MR value.,O=C([O-])CC1(CCF)CC1
QED,Modify the molecule [NH3+]C(CO)C(=O)N1CCCC1C(=O)NCC(=O)[O-] to decrease its QED value.,[NH3+]C(CC(=O)[OH])C(=O)N1CCCC1C(=O)NCC(=O)[O-]
AtomNum,"There is a molecule composed of 18 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",O=C1CCc2cc(NC(=O)N3CC4CCCC4(C(=O)[O-])C3)ccc21
BondNum,"Please generate a molecule with 56 single bonds, 6 double bonds, 31 rotatable bonds, and 18 aromatic bonds.",C=CCOC12Oc3ccc(OC(=O)NCCCCCCCCCCCC)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOCc4ccc([N+](=O)[O-])cc4)CC1N(CCC)C(=O)c1ccc4c(c1)OCO4)C32
FunctionalGroup,"Please generate a molecule with 1 amide group, 1 halo group, and 1 sulfide group.",CC(C)[NH+]1CCC(NC(=O)Oc2cc(C(=O)N3CCOCC3)nn2Cc2cc(-c3ccc(Cl)s3)on2)CC1
AddComponent,Please add a benzene ring to the molecule Cc1cc(C)c(O)c(OCC(=O)[O-])c1.,Cc1cc(C)c(-c2ccccc2)c(OCC(=O)[O-])c1O
SubComponent,Modify the molecule N#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(C#N)c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1-n1c2ccccc2c2ccc3c4ccccc4sc3c21 by substituting a nitrile with a thiol.,N#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(S)c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1-n1c2ccccc2c2ccc3c4ccccc4sc3c21
DelComponent,Remove a hydroxyl from the molecule O=C1CC(=C2Oc3cc(O)cc(O)c3CC2O)CC(=O)C1=O.,O=C1CC(=C2Oc3cc(O)ccc3CC2O)CC(=O)C1=O
LogP,Modify the molecule CCn1ccnc(NC(C)c2ncn[nH]2)c1=O to have a lower LogP value.,CCn1ccnc(C(C)c2ncn[nH]2)c1=O
MR,Modify the molecule Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1 to increase its MR value.,Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCC(c2ccccc2)N(S(=O)(=O)CCCc2ccccc2)C1
QED,Please optimize the molecule Cc1cccc(C)c1N1CC(C)[NH2+]CC(C)(O)C1 to have a lower QED value.,Cc1cccc(C)c1N1CC(C)[NH2+]CC(C)(S)C1
AtomNum,"There is a molecule with 16 carbon atoms, 5 oxygen atoms, and 5 nitrogen atoms.",CCN1CCN(C(=O)N2CCC(Oc3nccnc3OC)C2)C(=O)C1=O
BondNum,"The molecule consists of 19 single bonds, 4 double bonds, 10 rotatable bonds, and 11 aromatic bonds.",CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CCC(=O)c2ccc(C)s2)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, 1 thioether group, 2 sulfide groups, and 1 sulfone group.",COCCSc1nnc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)s1
AddComponent,Modify the molecule COc1cccc(CNc2ccc(Cl)c(Cl)c2)c1OCc1cccc(C)c1 by adding a amine.,COc1cccc(CNc2ccc(Cl)c(Cl)c2N)c1OCc1cccc(C)c1
SubComponent,Modify the molecule halo by substituting a CCN(CC)c1nc(Cl)nc(-n2cncn2)n1 with a carboxyl.,CCN(CC)c1nc(C(=O)[OH])nc(-n2cncn2)n1
DelComponent,Modify the molecule benzene ring by removing a CCc1nnc(NC(=O)c2cccc(OCC(=O)N(C)C)c2)s1.,CCc1nnc(NC(=O)OCC(=O)N(C)C)s1
LogP,Modify the molecule Cc1ccc(C)c(S(=O)(=O)N2CCC(OCC3CC3)C2)c1 to have a lower LogP value.,CCS(=O)(=O)N1CCC(OCC2CC2)C1
MR,Please optimize the molecule Cc1cc(C(C)(C)C)ccc1C1C[NH2+]CC(=O)N1 to have a lower MR value.,CC(C)(C)C1(C)C[NH2+]CC(=O)N1
QED,Please optimize the molecule Cc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 to have a lower QED value.,Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)O)c1
AtomNum,"Please generate a molecule with 18 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",C#CCCCC(Cc1cccc2ccc(OC)cc12)NN
BondNum,"There is a molecule with 8 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cn1ccnc1C[NH2+]Cc1cccc(C(F)F)c1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, and 4 halo groups.",O=C(Nc1ccc(C(F)(F)F)cc1)C1CN(C(=O)COc2ccccc2F)C1
AddComponent,Add a carboxyl to the molecule Cc1ccccc1N1C(=O)C(c2cccs2)=C([NH+]2CCCC(C)C2)C1=O.,Cc1ccccc1N1C(=O)C(c2cccs2)=C([NH+]2CC(C)CC(C(=O)O)C2)C1=O
SubComponent,Please substitute a Cc1cc(COC(=O)c2ccccc2OCc2ccc(F)cc2)no1 in the molecule halo with a nitrile.,Cc1cc(COC(=O)c2ccccc2OCc2ccc(C#N)cc2)no1
DelComponent,Remove a nitro from the molecule Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccccc3[N+](=O)[O-])c2C)cc1Br.,Cc1ccc(-n2c(C)cc(C=NNC(=O)c3(O[O-])cccc-3)c2C)cc1Br
LogP,Modify the molecule N#Cc1cccc(NC(=O)c2ccnc(NC3CCCCC3)c2)c1 to have a higher LogP value.,N#Cc1cccc(NC(=O)c2ccnc(C3CCCCC3)c2)c1
MR,Modify the molecule CNc1ncc(C)c(N2CC(C)C([NH+](C)C)C2)n1 to increase its MR value.,CNc1ncc(C)c(N2CC(C)C([NH+](C)C)C2O)n1
QED,Modify the molecule OC1(C(F)(F)F)C=NNCN1 to increase its QED value.,FC(F)(F)C1C=NNCN1
AtomNum,"There is a molecule consisting of 13 carbon atoms, and 2 nitrogen atoms.",CC=CCC(CC)c1c(C)nn(C)c1C
BondNum,"There is a molecule consisting of 16 single bonds, 1 double bond, 10 rotatable bonds, and 23 aromatic bonds.",C=C(Nc1ccccc1F)c1csc(C[NH+](Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)n1
FunctionalGroup,"There is a molecule consisting of 2 thioether groups, 2 thiol groups, and 1 sulfide group.",CC(S)(SS)c1nc2ccccc2o1
AddComponent,Please add a benzene ring to the molecule Cn1c(=O)oc2ccc(C[NH+](C)CCS)cc21.,Cn1c(=O)oc2ccc(C(c3ccccc3)[NH+](C)CCS)cc21
SubComponent,Modify the molecule halo by substituting a Cc1cc2c(Cl)nc(C3CCC3)nc2s1 with a thiol.,Cc1cc2c(S)nc(C3CCC3)nc2s1
DelComponent,Remove a CC(C)C(=O)Nc1ccc(C(=O)C(C)OC(=O)C(C)Sc2ccccc2)cc1 from the molecule amide.,CCc1ccc(C(=O)C(C)OC(=O)C(C)Sc2ccccc2)cc1
LogP,Modify the molecule CCOC(=O)CCc1cc(F)ccc1F to have a lower LogP value.,CCOC(=O)CC(F)F
MR,Please modify the molecule CC(O)C([NH3+])C(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O to increase its MR value.,CC(NO)C([NH3+])C(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
QED,Please optimize the molecule CS(=O)(=O)OC1CCSC(O)(O)C1 to have a lower QED value.,CS(=O)(=O)OC1CCSC(O)(NO)C1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCCc1ccc(C(=O)NC(C[NH3+])CC(C)C)cc1
BondNum,"The molecule has 11 single bonds, 1 double bond, 8 rotatable bonds, and 16 aromatic bonds.",COc1ccc2sc(N=Nc3ccc(N(CCO)CCO)cc3)nc2c1
FunctionalGroup,"The molecule is composed of 2 amide groups, and 3 halo groups.",Cn1cc(-c2ccc3c(C(=O)NC4CCC(Oc5ncccc5C(N)=O)CC4)nc(C(F)(F)F)n3c2)cn1
AddComponent,Modify the molecule COCC[NH+](Cc1nc(C(C)(C)[NH3+])no1)C(C)C1CC1 by adding a benzene ring.,COCC[NH+](Cc1nc(C(C)([NH3+])Cc2ccccc2)no1)C(C)C1CC1
SubComponent,Modify the molecule halo by substituting a CN1CC([NH+]2CCOCC2)N(c2nnc(C(F)(F)F)s2)C1=O with a nitrile.,CN1CC([NH+]2CCOCC2)N(c2nnc(C(F)(F)C#N)s2)C1=O
DelComponent,Modify the molecule CC1=C(C)N(c2ccccc2)C2CC3C(CC(C)C3C(C)(C)C3=Cc4ccccc4C3)C(Br)C12 by removing a halo.,CC1=C(C)N(c2ccccc2)C2CC3C(CC(C)C3C(C)(C)C3=Cc4ccccc4C3)CC12
LogP,Please modify the molecule CCOc1cc(C=NNC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(Cl)cc1Cl to decrease its LogP value.,CCOc1cc(C=NNC(=O)c2ccccc2C(F)F)cc(Br)c1OCc1ccc(Cl)cc1Cl
MR,Modify the molecule Cc1ccc(C(=O)C2CCN(C(=O)CC(F)(F)F)CC2)cc1 to have a lower MR value.,Cc1ccc(C(=O)C2CCN(C(=O)CC(F)F)CC2)cc1
QED,Modify the molecule NC(=S)N1CCC(c2ccccc2F)C1 to have a lower QED value.,NC(=S)N1CCC(c2ccccc2NO)C1
AtomNum,"The molecule consists of 21 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COc1ccc(CC(=O)NCc2ccccc2COC(C)C)cc1OC
BondNum,"The molecule is composed of 21 single bonds, 2 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",CC1CCC(NC(=O)N2CCC=C(c3cn(C(C)C)nn3)CC2)C(C)C1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 3 halo groups.",COc1cc(CCl)ccc1OCc1ccc(F)c(Br)c1
AddComponent,Modify the molecule COc1ccc(NC(N)=[NH+]CCc2ccc(Cl)s2)cc1Cl by adding a hydroxyl.,COc1ccc(NC(N)=[NH+]CCc2sc(Cl)cc2O)cc1Cl
SubComponent,Modify the molecule halo by substituting a Cc1nn(C)c(C[NH2+]CC(C)(C)C[NH+](C)C)c1Cl with a nitrile.,Cc1nn(C)c(C[NH2+]CC(C)(C)C[NH+](C)C)c1C#N
DelComponent,Remove a CCCCOC1=CC(=Nc2ccc(O)cc2)C(=N)CC1=N from the molecule hydroxyl.,CCCCOC1=CC(=Nc2ccccc2)C(=N)CC1=N
LogP,Modify the molecule C=CC=CC(CCCC)C(=C)C(=O)[O-] to have a lower LogP value.,C=CC=CC(CC(O)CC)C(=C)C(=O)[O-]
MR,Modify the molecule O=C(Nc1ccc(O)cc1)Nc1cc(Cl)c[nH]c1=O to decrease its MR value.,O=C(NO)Nc1cc(Cl)c[nH]c1=O
QED,Modify the molecule COCCNc1ncnc(Oc2ccc(-c3cc(N)c4c(c3[O-])C(=O)c3c(N)ccc([O-])c3C4=O)cc2)n1 to increase its QED value.,COCCNc1ncnc(Oc2ccc(-c3cc(N)c4c(c3[O-])C(=O)c3cccc([O-])c3C4=O)cc2)n1
AtomNum,"The molecule consists of 23 carbon atoms, 5 oxygen atoms, 7 nitrogen atoms, and 1 sulfur atom.",CCC(C)C(NC(=O)C([NH3+])Cc1cnc[nH]1)C(=O)NC(CCCC[NH3+])C(=O)NC(CCSC)C(=O)[O-]
BondNum,"Please generate a molecule composed of 6 single bonds, 2 rotatable bonds, and 16 aromatic bonds.",Cc1ccc(-n2c(C(C)Cl)nc3c(C)ccnc32)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 2 halo groups.",Fc1ccc(-c2ccccc2Cl)c2c3c([nH]c12)CC[NH2+]C3
AddComponent,Please add a amine to the molecule CCCCCOOC(=O)C(CCCCC)C(=O)OOc1ccccc1.,CCCCCOOC(=O)C(CCCCCN)C(=O)OOc1ccccc1
SubComponent,Substitute a hydroxyl in the molecule C=C1C(=O)C23C(OC(=O)CCCC(=O)OCCCOc4[nH]o[n+](=O)c4S(=O)(=O)c4ccccc4)C1CCC2C12COC3(O)C(O)C1C(C)(C)CCC2=O with a halo.,C=C1C(=O)C23C(OC(=O)CCCC(=O)OCCCOc4[nH]o[n+](=O)c4S(=O)(=O)c4ccccc4)C1CCC2C12COC3(Br)C(O)C1C(C)(C)CCC2=O
DelComponent,Modify the molecule Cc1cc(Br)cc2cc(C(=O)NCC(C)CCO)oc12 by removing a hydroxyl.,CCC(C)CNC(=O)c1cc2cc(Br)cc(C)c2o1
LogP,Optimize the molecule c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N4[Si](c5ccccc5)(c5ccccc5)N(c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)[Si]4(c4ccccc4)c4ccccc4)cc3)cc2)cc1 to have a lower LogP value.,c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N4[Si](c5ccccc5)N(c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)[Si]4(c4ccccc4)c4ccccc4)cc3)cc2)cc1
MR,Modify the molecule COc1c(Cl)cc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)C2c2ccc(O)c(O)c2)cc1Cl to decrease its MR value.,COc1c(Cl)cc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)C2c2ccc(O)cc2)cc1Cl
QED,Modify the molecule COC(=O)c1ccc(OC(=O)c2cccnc2OCC(F)(F)F)c(OC)c1 to decrease its QED value.,COC(=O)c1ccc(OC(=O)c2cccnc2OCC(F)F)c(OC)c1
AtomNum,"The molecule has 18 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(C(=O)N2CCC[NH+](Cc3csc(C)n3)CC2)cc1
BondNum,"There is a molecule with 13 single bonds, 2 double bonds, and 6 rotatable bonds.",CCCC(C(O)C(=O)NC1CC1)[N+](=O)[O-]
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, and 3 halo groups.",Fc1ccccc1C1=C(Cl)C(Cl)Nc2ccccc21
AddComponent,Add a hydroxyl to the molecule Cc1cc(NC(=O)C2CCCN2C(=O)CC(C)C)no1.,Cc1cc(NC(=O)C2CCCN2C(=O)C(O)C(C)C)no1
SubComponent,Modify the molecule halo by substituting a C[NH+](CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccc(F)c1 with a hydroxyl.,C[NH+](CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccc(O)c1
DelComponent,Please remove a halo from the molecule O=C(Nc1cccc(Cn2cc(Br)cn2)c1)c1ccc(COc2cccc(Cl)c2)o1.,O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(COc2cccc(Cl)c2)o1
LogP,Please optimize the molecule CC(C)(C)OC(=O)N1CCC(COc2ncc(-c3cccc(CO)c3F)cn2)CC1 to have a lower LogP value.,CC(C)(C)OC(=O)N1CCC(COc2ncc(-c3cccc(CO)c3)cn2)CC1
MR,Please modify the molecule Cc1ccc(N2CC(C(=O)NCCn3nc(C4CC4)n(-c4ccccc4)c3=O)CC2=O)cc1 to decrease its MR value.,Cc1ccc(N2CC(CCn3nc(C4CC4)n(-c4ccccc4)c3=O)C2=O)cc1
QED,Modify the molecule CC(C)c1ccc(CCCNC(=O)Cc2cccc(Cl)c2)cc1 to increase its QED value.,CC(C)c1ccc(CCCNC(=O)Cc2cccc(C#N)c2)cc1
AtomNum,"The molecule consists of 25 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",CC(C)c1cccc(NC(=O)C2CCN(c3c(C#N)c[nH+]c4ccc(F)cc34)CC2)c1
BondNum,"Please generate a molecule composed of 7 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C(O)Cc2cc(F)ccc2F)cc1
FunctionalGroup,"There is a molecule with 1 hydroxyl group, and 1 amide group.",O=C(C1Cc2ccccc2C1)N(CCO)CC1CCC[NH2+]1
AddComponent,Please add a hydroxyl to the molecule CCc1cc(CCS)ccc1Cl.,CCc1cc(CC(O)S)ccc1Cl
SubComponent,Please substitute a halo in the molecule O=C(NCCCCCCCCCCCCNC(=O)Nc1ccccc1Br)Nc1ccccc1Br with a hydroxyl.,O=C(NCCCCCCCCCCCCNC(=O)Nc1ccccc1Br)Nc1ccccc1O
DelComponent,Modify the molecule hydroxyl by removing a COc1ccc(S(=O)(=O)C(CCCCc2ccccc2)CC(=O)NO)cc1OCCOCc1ccccc1.,COc1ccc(S(=O)(=O)C(CCCCc2ccccc2)CC(N)=O)cc1OCCOCc1ccccc1
LogP,Please modify the molecule COc1cccc(C(=O)N2CCC(NC(C)=O)C2)c1N to decrease its LogP value.,COc1cccc(C(=O)N2CCC(NC(=O)CO)C2)c1N
MR,Modify the molecule O=C(NCC1(C(=O)[O-])CCCC1)c1cccc(Cl)c1F to have a lower MR value.,N#Cc1cccc(C(=O)NCC2(C(=O)[O-])CCCC2)c1F
QED,Modify the molecule C=C([NH2+]C(c1ccc(Cl)o1)C(C)(C)C)C(=NS(N)(=O)=O)Nc1csc(S(=O)(=O)N(CC)CC)c1O to decrease its QED value.,C=C([NH2+]C(c1ccc(Cl)o1)C(C)(C)C)C(=NS(N)(=O)=O)Nc1csc(S(=O)(=O)N(CC)CC)c1NO
AtomNum,"Please generate a molecule with 18 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1cccc(C(F)(F)F)c1
BondNum,"Please generate a molecule consisting 28 single bonds, 3 double bonds, 18 rotatable bonds, and 12 aromatic bonds.",CCCCCCC(NC(=O)c1cccnc1)C(=O)NC(Cc1ccccc1)C(O)C(O)C(C(=O)NCC(C)C)C(C)C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 amine group.",Nc1ccc(C(=O)[O-])c(NC(=O)C2Cc3ccccc32)c1
AddComponent,Modify the molecule CCC(C)(NC(=O)c1cc(Cl)cc(Br)c1)C(N)=[NH+]O by adding a hydroxyl.,CCC(CO)(NC(=O)c1cc(Cl)cc(Br)c1)C(N)=[NH+]O
SubComponent,Substitute a CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)Cl in the molecule halo with a nitro.,CC1(C)C(C=C(NO)C(F)(F)F)C1C(=O)Cl
DelComponent,Please remove a amine from the molecule Cc1cccc(C)c1Nc1cc(C(=O)[O-])c(C)nn1.,Cc1cccc(C)c1-c1cc(C(=O)[O-])c(C)nn1
LogP,Please optimize the molecule Cc1ccc2c(CC[NH3+])cc(C(C)C)nc2c1 to have a lower LogP value.,Cc1ccc2c(CC[NH3+])cc(C(C)CO)nc2c1
MR,Modify the molecule Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 to decrease its MR value.,Cc1noc(C)c1COC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1
QED,Modify the molecule Cc1ccc(C2CN(CCCO)C(=O)N2C)cc1 to decrease its QED value.,Cc1ccc(C2CN(CCC(O)O)C(=O)N2C)cc1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",CC(C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
BondNum,"The molecule contains 10 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCCc1c(N)ncnc1NC(CO)CO
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 1 hydroxyl group, 2 amide groups, 1 nitro group, and 1 sulfide group.",CC(=O)Nc1cccc(N2C(=O)C(O)=C(c3ccc(OCc4ccccc4)cc3)C2c2ccc([N+](=O)[O-])s2)c1
AddComponent,Modify the molecule [CH]CCC(=O)C(F)(F)S(=O)(=O)[O-] by adding a hydroxyl.,O=C(CC[CH]O)C(F)(F)S(=O)(=O)[O-]
SubComponent,Substitute a CCC(CC#N)OC(=O)c1cccn1C(C)C in the molecule nitrile with a thiol.,CCC(CS)OC(=O)c1cccn1C(C)C
DelComponent,Modify the molecule halo by removing a COCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)ccc1C(=O)[O-].,COCc1cc(C2=CC(c3cccc(Cl)c3)(C(F)(F)F)ON2)ccc1C(=O)[O-]
LogP,Optimize the molecule C=CC=C1CC[NH+](C(C)C(O)(Cn2cncn2)c2ccc(F)cc2F)CC1 to have a higher LogP value.,C=CC=C1CC[NH+](C(C)C(O)(Cn2cncn2)c2ccc(S)cc2F)CC1
MR,Please modify the molecule CCCCOc1cc(C(=O)OC)c(NCCOC)cc1F to increase its MR value.,CCCCOc1cc(C(=O)OC)c(NCCOC)cc1C(=O)[OH]
QED,Modify the molecule CS(=O)(=O)N1CC2CC(F)C(O)C2C1 to have a lower QED value.,CS(=O)(=O)N1CC2CC(F)CC2C1
AtomNum,"The molecule has 13 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cn1
BondNum,"The molecule consists of 9 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C(=O)[O-])ccc1Nc1ccc(OC(F)F)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 3 amine groups.",CC(=N[NH+]=C(N)N)c1cccc(C)c1
AddComponent,Please add a hydroxyl to the molecule CCOCC12CC3=C[N+](c4ccc(F)cc4)=C3C=C1CCN(S(=O)(=O)c1ccc(NC)nc1)C2.,CCOCC12CC3=C[N+](c4ccc(F)cc4)=C3C=C1CCN(S(=O)(=O)c1ccc(NCO)nc1)C2
SubComponent,Please substitute a halo in the molecule CN(Cc1ccc(C2=[NH+]CCN2C)cc1Cl)C(=O)OC(C)(C)C with a aldehyde.,CC(=O)c1cc(C2=[NH+]CCN2C)ccc1CN(C)C(=O)OC(C)(C)C
DelComponent,Please remove a CNC(=O)c1[nH]cnc1NN=C(C(C)=O)C(C)=O from the molecule amine.,CNC(=O)c1[nH]cnc1N=C(C(C)=O)C(C)=O
LogP,Please optimize the molecule COCC1(C)C=C(Oc2cc[nH]c(=O)c2)c2cc(Br)ccc2O1 to have a lower LogP value.,COCC1(C)C=C(Oc2cc[nH]c(=O)c2)c2cc(NO)ccc2O1
MR,Modify the molecule CC(C)(C)c1ccc(CCC[NH2+]Cc2ccc(Cl)cc2)cc1 to have a lower MR value.,CC(C)(C)c1ccc(CCC[NH2+]Cc2ccccc2)cc1
QED,Optimize the molecule CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CC)CC4)cc3)c(F)c2)CC1 to have a higher QED value.,CCCCCC1CCC(c2ccc(C3CCC(CC)CC3)c(F)c2)CC1
AtomNum,"The molecule contains 13 carbon atoms, 3 nitrogen atoms, and 2 sulfur atoms.",c1csc(-c2[nH]ncc2C[NH2+]Cc2ccsc2)c1
BondNum,"The molecule has 11 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(Cc1ccccc1)NN1CCN(Cc2ccccc2)C1=O
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amine group.",COc1cc(CCCNC(C)C[NH2+]C2CC2)cc(OC)c1
AddComponent,Please add a amine to the molecule COc1cccc(C2OCC(CC#N)O2)c1.,COc1cccc(C2OCC(C(N)C#N)O2)c1
SubComponent,Substitute a halo in the molecule CC1CN(C(=O)CCCSc2nnc(Cc3ccccc3)n2-c2ccccc2)CCN1C(=O)COc1ccc(Cl)cc1 with a thiol.,CC1CN(C(=O)CCCSc2nnc(Cc3ccccc3)n2-c2ccccc2)CCN1C(=O)COc1ccc(S)cc1
DelComponent,Remove a hydroxyl from the molecule Cc1cc(-c2ccn[nH]2)ccc1O.,Cc1cccc(-c2ccn[nH]2)c1
LogP,Modify the molecule CCCCC(F)C(=O)OC1CCC(COc2ccc(OCC3CCC(OC(=O)C(F)CCCC)CC3)c(Br)c2)CC1 to decrease its LogP value.,CCCCC(F)C(=O)OC1CCC(COc2ccc(OCC3CCC(OC(=O)C(S)CCCC)CC3)cc2Br)CC1
MR,Please modify the molecule COc1cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)N4CCOCC4)cc3C)CC2)ccc1NC(=O)c1ccccc1 to decrease its MR value.,COc1cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)N4CCOCC4)cc3C)CC2)ccc1NC=O
QED,Modify the molecule Cc1ccc(CNC(=O)c2cc(Sc3ccc(F)cc3F)nc3ccccc23)cc1 to increase its QED value.,Cc1ccc(CNC(=O)c2cc(Sc3ccc(O)cc3F)nc3ccccc23)cc1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1ccccc1C(=O)NC(C(=O)Nc1nc(C2CC2)cs1)C(C)C
BondNum,"The molecule is composed of 13 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",O=C(c1ncoc1-c1ccco1)N(Cc1c(F)cccc1F)C1CCCC1
FunctionalGroup,There is a molecule consisting of and 1 amide group.,CC(CNC(=O)C1[NH2+]CCc2ccccc21)C(C)(C)C
AddComponent,Please add a hydroxyl to the molecule N#Cc1c([S-])ccc(S(=O)(=O)Cl)c1[O-].,N#Cc1c([O-])c(S(=O)(=O)Cl)cc(O)c1[S-]
SubComponent,Substitute a halo in the molecule CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)SC1=S with a nitro.,CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(NO)c2)SC1=S
DelComponent,Please remove a amide from the molecule CCOC(=O)COc1ccc(C=C2NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC.,CCOC(=O)COc1ccc(C(CC(=O)Nc2ccccc2F)NC=O)cc1OC
LogP,Please optimize the molecule c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccc6cccc7ccc4c5c67)cc3)cc2)c2cccc3ccccc23)cc1 to have a higher LogP value.,c1ccc(-c2cccc3cccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7ccc8cccc9ccc6c7c89)cc5)cc4)c23)cc1
MR,Modify the molecule C=CC1OC(C)(C)OC1C(O[Si](C)(C)C(C)(C)C)C(C)CO to increase its MR value.,C=CC1OC(C)(C)OC1C(O[Si](C)(C)C(C)(C)C)C(C)CS
QED,Please modify the molecule CC1(NCCS(=O)(=O)c2ccc(C(N)=[NH+]O)cc2)CC1 to increase its QED value.,CC1(NCCS(=O)(=O)c2ccc(C(=[NH+])N)cc2)CC1
AtomNum,"There is a molecule composed of 11 carbon atoms, and 1 sulfur atom.",CCCC1(S)CCCCCCC1
BondNum,"The molecule has 14 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",COc1cccc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)c1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 3 halo groups.",CC1CCN(C(=O)C2CCC(F)(F)CC2)C1CCl
AddComponent,Add a hydroxyl to the molecule CCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.,CCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
SubComponent,Please substitute a CC=C(CCOC)c1cc(C)nc(Nc2cc(C#N)ccn2)c1 in the molecule nitrile with a thiol.,CC=C(CCOC)c1cc(C)nc(Nc2cc(S)ccn2)c1
DelComponent,Please remove a benzene ring from the molecule CCN(Cc1cc(N)c2ccccc2[nH+]1)c1ccccc1.,CCNCc1cc(N)c2ccccc2[nH+]1
LogP,Optimize the molecule CCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2nc(N3CCCCC3)sc2c1=O to have a higher LogP value.,CCCn1c(Sc2c(C)cccc2C)nc2nc(N3CCCCC3)sc2c1=O
MR,Modify the molecule Cc1ccc(S(=O)C2CCOC2)cc1 to increase its MR value.,O=S(c1ccc(CO)cc1)C1CCOC1
QED,Optimize the molecule CN(CC(F)(F)F)C(=O)NC(C)(C(=O)[O-])c1ccccc1 to have a lower QED value.,CN(CC(F)(F)F)C(=O)NC(CN)(C(=O)[O-])c1ccccc1
AtomNum,"There is a molecule with 20 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",O=C([O-])CSc1nnc(Cc2cccnc2)n1-c1cccc2ccccc12
BondNum,"There is a molecule consisting of 15 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC(C)N(CCC(=O)[O-])C(=O)CC1Oc2ccccc2NC1=O
FunctionalGroup,The molecule is composed of and 1 amide group.,Cc1cn(CC(=O)NC(CC(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(=O)[nH]c1=O
AddComponent,Add a benzene ring to the molecule O=C(NC(Cc1ccccc1)C(=O)Nc1nnc(-c2ccsc2)s1)c1cccs1.,O=C(NC(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1nnc(-c2ccsc2)s1)c1cccs1
SubComponent,Modify the molecule halo by substituting a CC(=O)N(Cc1ccc(Cl)cc1)C(CC(C)C)C(=O)NCC=Cc1ccccc1 with a hydroxyl.,CC(=O)N(Cc1ccc(O)cc1)C(CC(C)C)C(=O)NCC=Cc1ccccc1
DelComponent,Remove a amide from the molecule CC[NH2+]CC(=O)Nc1c(C)nn(C)c1C.,CC[NH2+]c1c(C)nn(C)c1C
LogP,Please optimize the molecule CS(=O)(=O)C(=C1C[NH+](C(c2cccc(Cl)c2Cl)c2cccc(Cl)c2Cl)C1)c1cc(F)cc(F)c1 to have a lower LogP value.,CS(=O)(=O)C(=C1C[NH+](C(c2cccc(Cl)c2Cl)c2cccc(C(=O)[OH])c2Cl)C1)c1cc(F)cc(F)c1
MR,Please optimize the molecule [NH3+]C(CC(=O)[O-])c1cccc(OC(F)F)c1 to have a higher MR value.,[NH3+]C(CC(=O)[O-])c1cccc(OC(O)F)c1
QED,Please optimize the molecule Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCNC(=O)c3cccc(O)c3)cc2)cc1 to have a lower QED value.,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCNC(=O)c3cccc(C(=O)[OH])c3)cc2)cc1
AtomNum,"There is a molecule composed of 58 carbon atoms, 12 oxygen atoms, 10 nitrogen atoms, 2 sulfur atoms, and 4 fluorine atoms.",CC(=Cc1cc(F)c(Oc2ccc(SNCCOCCOCCOCCNC(=O)CCCCCCC(=O)NCCOCCOCCOCCNSc3ccc(Oc4c(F)cc(C=C(C)C(=O)[NH+]=C(N)N)cc4F)cc3)cc2)c(F)c1)C(=O)[NH+]=C(N)N
BondNum,"The molecule has 10 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",Nc1cccc(Cl)c1Sc1ccc2c(c1)OCCCO2
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, and 1 sulfone group.",C[NH2+]CCCS(=O)(=O)Nc1cccc(C(C)C)c1
AddComponent,Please add a benzene ring to the molecule COc1cccc(NC(=O)C(C#N)C(=O)C2CC2c2cccc(F)c2)c1.,COc1ccc(-c2ccccc2)c(NC(=O)C(C#N)C(=O)C2CC2c2cccc(F)c2)c1
SubComponent,Modify the molecule O=C(CC1CCC1)Nc1cnn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)c(=O)c1 by substituting a halo with a thiol.,O=C(CC1CCC1)Nc1cnn(CCC(S)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)c(=O)c1
DelComponent,Remove a benzene ring from the molecule C=CC=CC(=CC)CC(=O)N(C)C(c1ccccc1)[NH+]1CCCC1.,C=CC=CC(=CC)CC(=O)N(C)C[NH+]1CCCC1
LogP,Optimize the molecule CCCc1[nH]c(-c2cc(C(F)(F)F)ccc2OC)cc1C(=O)[O-] to have a lower LogP value.,CCCc1[nH]c(-c2cc(C(F)(F)C(=O)[OH])ccc2OC)cc1C(=O)[O-]
MR,Modify the molecule CCCCCCC(O)C=CC1CCC(O)C1CCCCCCC(=O)[O-] to increase its MR value.,CCCCCCC(O)C=CC1(N)CCC(O)C1CCCCCCC(=O)[O-]
QED,Optimize the molecule CC(C)(C)c1ncc(CNc2cccc(NC(=O)CO)c2)s1 to have a higher QED value.,CC(C)(C)c1ncc(CNc2cccc(O)c2)s1
AtomNum,"The molecule has 11 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CN(CC(C)(C)C)C(=O)NCC(=O)NCC(=O)[O-]
BondNum,"There is a molecule consisting of 17 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CCOC(C[NH3+])C1
FunctionalGroup,Please generate a molecule consisting and 2 amide groups.,Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN3C(=O)CCC3C2)[nH]n1
AddComponent,Please add a benzene ring to the molecule C[NH+]=C(NCCC[NH+]1CC(C)OC(C)C1)NCc1cc(C(C)C)no1.,C[NH+]=C(NCCC[NH+]1CC(C)OC(C)C1)NCc1cc(C(C)Cc2ccccc2)no1
SubComponent,Substitute a halo in the molecule Cc1cc(Br)c(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCOCC4)ccc3Cl)CC2)cc1C with a aldehyde.,CC(=O)c1cc(C)c(C)cc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2Cl)CC1
DelComponent,Modify the molecule CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1 by removing a benzene ring.,CN(CC(=O)NF)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1
LogP,Modify the molecule CC1(C)OC2OC(C(O)C(F)(F)F)C(OCc3ccccc3)C2O1 to decrease its LogP value.,CC1(C)OC2OC(C(O)C(F)F)C(OCc3ccccc3)C2O1
MR,Optimize the molecule Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CC[NH+](Cc2nc3ccccc3s2)CC1 to have a lower MR value.,Cc1nn(F)c(C)c1C(=O)N1CC[NH+](Cc2nc3ccccc3s2)CC1
QED,Please modify the molecule COc1ccc(Br)cc1C(=O)Oc1cc(=O)oc2ccccc12 to increase its QED value.,COc1ccc(O)cc1C(=O)Oc1cc(=O)oc2ccccc12
AtomNum,"There is a molecule consisting of 13 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",C#CCC(CC)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-]
BondNum,"There is a molecule with 4 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",[NH3+]CCCc1ccn2nncc2c1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 1 ester group, 1 halo group, and 1 sulfone group.",O=C(CCS(=O)(=O)c1ccc(F)cc1)OCc1ccc(-c2ccccc2)cc1
AddComponent,Add a amine to the molecule O=C(NC1CCC(C(=O)[O-])C1)c1cc(Cl)cc(Br)c1.,NC1CC(NC(=O)c2cc(Cl)cc(Br)c2)CC1C(=O)[O-]
SubComponent,Substitute a halo in the molecule Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1cc(C)c2cc(S(C)(=O)=O)ccc21 with a nitrile.,Cc1nc(-c2cccc(C#N)c2)ncc1C(=O)Nn1cc(C)c2cc(S(C)(=O)=O)ccc21
DelComponent,Remove a halo from the molecule CC1(C)C[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CCC1[NH3+].,CC1(C)C[NH+](CC(=O)NCc2ccc(F)cc2C(F)F)CCC1[NH3+]
LogP,Modify the molecule C[NH2+]C(C)CCc1nc(Cc2ccc(F)cc2)no1 to have a higher LogP value.,C[NH2+]C(C)CCc1nc(C(c2ccccc2)c2ccc(F)cc2)no1
MR,Modify the molecule Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c2cc(C)ccc2C)cc1 to have a lower MR value.,CCN(CC(=O)NN=Cc1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccc(C)cc1
QED,Modify the molecule CC(Cc1c(F)cccc1F)[NH2+]C1CCN(C(C)C)C1 to have a lower QED value.,CC(Cc1c(F)cccc1C(=O)[OH])[NH2+]C1CCN(C(C)C)C1
AtomNum,"The molecule is composed of 21 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 4 fluorine atoms.",O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)C1CC(=O)N(c2ccc(F)cc2)C1
BondNum,"There is a molecule with 18 single bonds, 3 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",O=C(CN1C(=O)c2cccnc2C1=O)N1CCC2(CC1)OCCO2
FunctionalGroup,"The molecule has 1 amide group, and 1 amine group.",CCCN1c2c(c[nH+]c3ccc(OCC(=O)N4CCOCC4)cc23)NC1([NH3+])COCC
AddComponent,Modify the molecule OC(C[NH2+]CCc1cccs1)COc1ccccc1Cl by adding a benzene ring.,OC(C[NH2+]CCc1cccs1)C(Oc1ccccc1Cl)c1ccccc1
SubComponent,Modify the molecule halo by substituting a CNC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(Cl)cc3C(=O)N3CCC(C)CC3)CC2)ccc1Cl with a nitro.,CNC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(NO)cc3C(=O)N3CCC(C)CC3)CC2)ccc1Cl
DelComponent,Modify the molecule benzene ring by removing a PCCCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.,CC(CCCCP)(Cc1ccccc1)Cc1ccccc1
LogP,Optimize the molecule Cc1c(C(=O)OCC(=O)N2CCCC(C)C2)oc2ccccc12 to have a lower LogP value.,Cc1c(C(=O)OC(O)C(=O)N2CCCC(C)C2)oc2ccccc12
MR,Modify the molecule CCc1cc(CC(C(=O)[O-])c2ccc(Br)cc2)n(CC)n1 to decrease its MR value.,CCc1cc(CC(C(=O)[O-])c2ccccc2)n(CC)n1
QED,Modify the molecule CC(C)c1nc(Br)cc(Nc2ccc(Cl)cc2F)n1 to decrease its QED value.,CC(C)c1nc(Br)cc(Nc2ccc(Cl)c(-c3ccccc3)c2F)n1
AtomNum,"The molecule is composed of 14 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COCCNC(=O)C(=O)Nc1ccc(OC(C)C)cc1
BondNum,"Please generate a molecule with 9 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",CC(Nc1c(C(=O)OCc2ccccc2)ccc2ccccc12)C(=O)[O-]
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",COCC[NH2+]Cc1ccc(OCCC(C)(C)O)c(Br)c1
AddComponent,Add a amine to the molecule COc1ccc(C2CC(c3ccc(F)cc3)=NN2C(=O)COc2ccc(Br)cc2C=O)cc1OC.,COc1ccc(C2CC(c3ccc(F)cc3)=NN2C(=O)COc2c(N)cc(Br)cc2C=O)cc1OC
SubComponent,Please substitute a CCOc1ccc(NC(C)C(=O)NC2CC2)cc1CO in the molecule hydroxyl with a halo.,CCOc1ccc(NC(C)C(=O)NC2CC2)cc1CCl
DelComponent,Remove a hydroxyl from the molecule CO[Si](C)(OC)O[Si]1(CC2CC3OC3CC2C2CCCC3OC32)O[Si](CC2CCC3OC3C2)(O[SiH](O)CC2CCC3OC3C2)O[SiH]2O[Si](CC3CCC4OC4C3)(O[Si](C)(CC3CCC4OC4C3)O[Si](C)(CC3CCC4OC4C3)OC2C2=CC3OC3CC2)O1.,CO[Si](C)(OC)O[Si]1(CC2CC3OC3CC2C2CCCC3OC32)O[Si](CC2CCC3OC3C2)(O[SiH]CC2CCC3OC3C2)O[SiH]2O[Si](CC3CCC4OC4C3)(O[Si](C)(CC3CCC4OC4C3)O[Si](C)(CC3CCC4OC4C3)OC2C2=CC3OC3CC2)O1
LogP,Optimize the molecule CCOc1cc(C2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(C(C)(C)C)cc2)ccc1OC(C)C to have a lower LogP value.,CCOc1cc(C2C(c3cccc4ccccc34)=C(C(=O)[OH])C(=O)N2c2ccc(C(C)(C)C)cc2)ccc1OC(C)C
MR,Modify the molecule COc1cc(NC(=O)Cc2sc(-c3ccccn3)nc2C)cc(OC)c1OC to have a lower MR value.,COc1cc(-c2sc(-c3ccccn3)nc2C)cc(OC)c1OC
QED,Please modify the molecule CCc1cccc(OCc2ccc(F)c(C#CC[NH3+])c2)c1 to decrease its QED value.,CC(=O)c1ccc(COc2cccc(CC)c2)cc1C#CC[NH3+]
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 2 oxygen atoms, and 1 silicon atom.",CC1C(=O)CCC2(CCC(C(C)(C)C)CC2)C1(C)CO[SiH3]
BondNum,"There is a molecule composed of 13 single bonds, 1 double bond, and 7 rotatable bonds.",COC(=O)CC[NH2+]C(CN(C)C)C(C)C
FunctionalGroup,There is a molecule with and 1 nitro group.,CC[Si](CC)(CC)ON=CC(=C1CCCC(O[Si](C)(C)C(C)(C)C)C1)[N+](=O)[O-]
AddComponent,Modify the molecule CCCCCC=CCC=CCCCCCCCCC1(CCCCCCCCC=CCC=CCCCCC)OCC(CCC(C)C)O1 by adding a amine.,CCCCCC=CCC=CCCCCCCCCC1(CCCCCCCCC=CCC=CCCCCCN)OCC(CCC(C)C)O1
SubComponent,Please substitute a halo in the molecule COc1cc(COc2ccc(Cl)cc2C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 with a hydroxyl.,COc1cc(COc2ccc(O)cc2C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1
DelComponent,Modify the molecule amide by removing a CCOc1ccc(C([O-])=C2C(=O)C(=O)N(C3CCCC3)C2c2cccc(C)c2)cc1C(C)(C)C.,CCOc1ccc(C([O-])=C2OC2(c2cccc(C)c2)C2CCCC2)cc1C(C)(C)C
LogP,Please optimize the molecule CC1CC[NH+](Cc2cc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)on2)CC1 to have a higher LogP value.,CC1CC[NH+](Cc2cc(COc3cccc4c3CN(C3CC3=O)C4=O)on2)CC1
MR,Optimize the molecule CCOc1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OCCOC to have a higher MR value.,CCOc1cccc(C(=O)O)c1NC(=S)NC(=O)c1cc(Br)ccc1OCCOC
QED,Optimize the molecule CC1OCCC1(C)NS(=O)(=O)CC1CCCCN1 to have a lower QED value.,CC1(NS(=O)(=O)CC2CCCCN2)CCOC1(C)S
AtomNum,"Please generate a molecule with 11 carbon atoms, and 1 oxygen atom.",CCC(C)(CC)OCC1CCC1
BondNum,"Please generate a molecule with 11 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(C(=O)OCC(=O)NC(C)CCc2ccccc2)c1
FunctionalGroup,"Please generate a molecule composed of 1 aldehyde group, and 1 halo group.",CC(=C(F)C=O)c1ccc2c(c1)CCCN2C(C)C
AddComponent,Add a benzene ring to the molecule COCc1nc(Cl)cc(NC2CCCC2OC)n1.,COCc1nc(Cl)c(-c2ccccc2)c(NC2CCCC2OC)n1
SubComponent,Substitute a hydroxyl in the molecule O=C(CCCl)c1ccc(CO)c(C(O)C(=O)[O-])c1 with a halo.,O=C(CCCl)c1ccc(CBr)c(C(O)C(=O)[O-])c1
DelComponent,Remove a amine from the molecule COc1cccnc1CCCCNc1ncc(Cc2ccc(C)nc2)c(=O)[nH]1.,COc1cccnc1CCCCc1ncc(Cc2ccc(C)nc2)c(=O)[nH]1
LogP,Modify the molecule COC(=O)c1sc(-n2cnc3cc(Br)ccc32)cc1O to have a lower LogP value.,COC(=O)c1sc(-n2cnc3ccccc32)cc1O
MR,Modify the molecule CSC1OC(CO)C(O)C(N=[N+]=[N-])C1OC(=O)CCC(C)=O to increase its MR value.,CSC1OC(CS)C(O)C(N=[N+]=[N-])C1OC(=O)CCC(C)=O
QED,Modify the molecule CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC3(CC2)C(=O)NCC[NH+]3C)c1C to increase its QED value.,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC3C[NH+](C)C3C2)c1C
AtomNum,"Please generate a molecule with 24 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, 1 chlorine atom, and 1 iodine atom.",O=C1NC(=Cc2ccc(OCc3ccccc3Cl)c(I)c2)C(=O)N1Cc1ccccc1F
BondNum,"There is a molecule consisting of 16 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCCC1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 2 amine groups, and 1 halo group.",Brc1ccc(C2NNCC2C=NN=C(c2ccccc2)c2ccccc2)cc1
AddComponent,Please add a amine to the molecule Cn1cc[nH+]c1CCn1nnc(C(=O)[O-])c1CC[NH3+].,Cn1cc[nH+]c1CC(N)n1nnc(C(=O)[O-])c1CC[NH3+]
SubComponent,Modify the molecule Cc1c(O)cc(O)c2c1C(=O)OCC(NC(=O)[O-])C(=O)NC(CBr)CSC2 by substituting a hydroxyl with a aldehyde.,CC(=O)c1cc(O)c2c(c1C)C(=O)OCC(NC(=O)[O-])C(=O)NC(CBr)CSC2
DelComponent,Remove a halo from the molecule COc1cccc(CCNC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1.,COc1cccc(CCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1
LogP,Modify the molecule CC(SC(C)C(C)O)C(=O)Nc1c(Cl)cc(N)cc1Cl to have a higher LogP value.,CC(SC(C)C(C)C(=O)[OH])C(=O)Nc1c(Cl)cc(N)cc1Cl
MR,Modify the molecule Nc1ccc2c(c1)CCCC2NC(=O)CCc1ncc(-c2ccccc2F)o1 to decrease its MR value.,Nc1ccc2c(c1)CCCC2NC(=O)CCc1ncc(F)o1
QED,Please modify the molecule O=C(Nc1ccc(C(=O)[O-])cc1)Nc1cc(Br)c[nH]c1=O to decrease its QED value.,O=C(Nc1ccc(C(=O)[O-])cc1O)Nc1cc(Br)c[nH]c1=O
AtomNum,"The molecule is composed of 20 carbon atoms, 5 oxygen atoms, and 3 fluorine atoms.",CCOC(=O)C=Cc1ccc(OC(=O)c2ccc(OCC(F)(F)F)cc2)cc1
BondNum,"Please generate a molecule composed of 10 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCC[NH2+]CC(Cc1ccc(Br)s1)c1cccc(F)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",[NH3+]CCN1C(=O)OCC1c1ccccc1F
AddComponent,Please add a hydroxyl to the molecule CC1C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(-c2ccccc2Cl)c1.,CC1C(=O)N(c2ccc(SC(F)(F)F)c(O)c2)C(=O)N1Cc1ccnc(-c2ccccc2Cl)c1
SubComponent,Modify the molecule nitrile by substituting a COc1ccc(N2CC(C#N)OC2=O)cc1 with a halo.,COc1ccc(N2CC(I)OC2=O)cc1
DelComponent,Please remove a amine from the molecule COC(=O)c1cc(N)cn1Cc1nc2ccccc2s1.,COC(=O)c1cccn1Cc1nc2ccccc2s1
LogP,Please optimize the molecule COc1ccc(-c2ccsc2)c(Sc2nc3c(N)ncnc3n2CC[NH2+]CC(C)(C)C)c1 to have a lower LogP value.,CO[SH](c1ccsc1)c1nc2c(N)ncnc2n1CC[NH2+]CC(C)(C)C
MR,Modify the molecule CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCC(=O)[O-] to have a lower MR value.,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2OCC(=O)[O-]
QED,Modify the molecule CCCCCCCCCCCCCCCCCCCCOc1cc(-c2nnc(-c3ccc(NC=C4C(=O)C(=CNc5ccc(-c6nnc(-c7cc(OCCCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCCCC)c7)o6)cc5)C(=O)C(=CNc5ccc(-c6nnc(-c7cc(OCCCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCCCC)c7)o6)cc5)C4=O)cc3)o2)cc(OCCCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCCCC to decrease its QED value.,CCCCCCCCCCCCCCCCCCCCOc1cc(-c2nnc(-c3ccc(NC=C4C(=O)C(=CNc5ccc(-c6nnc(-c7cc(OCCCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCCCC)c7)o6)cc5)C(=O)C(=CNc5ccc(-c6nnc(-c7cc(OCCCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCC(N)CCCCCCC)c(OCCCCCCCCCCCCCCCCCCCC)c7)o6)cc5)C4=O)cc3)o2)cc(OCCCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCCCC
AtomNum,"There is a molecule composed of 27 carbon atoms, and 17 oxygen atoms.",COc1cc(C=CCOC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)ccc1OC1OC(CO)C(O)C(O)C1O
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 6 rotatable bonds, and 24 aromatic bonds.",COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1
FunctionalGroup,"The molecule contains 4 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1cc(C(=O)Nc2ccc(F)cc2)ccc1NC(=O)C(NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2C)CC1)C(C)C
AddComponent,Modify the molecule Cc1nc(-c2cccnc2)sc1C(=O)N1CCCC(C(=O)Nc2ccccc2C(=O)[O-])C1 by adding a carboxyl.,Cc1nc(-c2cccnc2)sc1C(=O)N1CCCC(C(=O)Nc2c(C(=O)[O-])cccc2C(=O)O)C1
SubComponent,Please substitute a halo in the molecule COc1ccc(C(=O)Nc2ccc(OCC(O)CCl)c(C#N)c2)cc1 with a nitro.,COc1ccc(C(=O)Nc2ccc(OCC(O)CNO)c(C#N)c2)cc1
DelComponent,Please remove a CC(CC(=O)N1CCC(O)CC12CCC2)n1cccn1 from the molecule hydroxyl.,CC(CC(=O)N1CCCCC12CCC2)n1cccn1
LogP,Modify the molecule CN(C(=O)[O-])C(CS)C(=O)NCCCCS to have a lower LogP value.,CN(C(=O)[O-])C(CO)C(=O)NCCCCS
MR,Optimize the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccc(Cl)cc3C(=O)N3CCC(C)CC3)CC2)cccc1C(=O)N1CCCC(C)C1 to have a higher MR value.,Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccc(NO)cc3C(=O)N3CCC(C)CC3)CC2)cccc1C(=O)N1CCCC(C)C1
QED,Please modify the molecule Cc1sc(-c2ccccc2)nc1C=O to increase its QED value.,Cc1sc(-c2cccc(CC=O)c2)nc1C=O
AtomNum,"The molecule consists of 7 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1cc(C(=O)[O-])n2ncnc2n1
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CCCC1CC1NC(=O)c1cc(N)cn1CC
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, and 2 halo groups.",O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCC(Cc2ccccc2)CC1
AddComponent,Please add a benzene ring to the molecule C[NH2+]C(Cc1cncc(Br)c1)c1sccc1Cl.,C[NH2+]C(Cc1cncc(Br)c1-c1ccccc1)c1sccc1Cl
SubComponent,Modify the molecule halo by substituting a C=CCN(CC=C)c1cc(Cl)nc(SCc2ccc(C(=O)[O-])cc2)n1 with a aldehyde.,CC(=O)c1cc(N(CC=C)CC=C)nc(SCc2ccc(C(=O)[O-])cc2)n1
DelComponent,Remove a halo from the molecule CC(C(=O)[O-])N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Br)cc1.,CC(C(=O)[O-])N(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1
LogP,Modify the molecule O=C([O-])Cn1c(-c2ccccc2)c(Cl)nc(NCCc2cccc(C(F)(F)F)c2)c1=O to have a lower LogP value.,O=C([O-])Cn1c(-c2ccccc2)c(O)nc(NCCc2cccc(C(F)(F)F)c2)c1=O
MR,Modify the molecule CCOc1cccc2cc(C(=O)Nc3ccc(C4=CSC5=[NH+]CCN45)cc3)c(=O)oc12 to have a lower MR value.,CCOc1cccc2cc(C(=O)NC3=CSC4=[NH+]CCN34)c(=O)oc12
QED,Modify the molecule CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(CC#N)CCC32)C1 to have a lower QED value.,CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C)CCC32)C1
AtomNum,"The molecule consists of 29 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",COc1cccc2sc(NC(=O)C[NH+]3CCN(CC(O)COc4cccc5[nH]c6ccccc6c45)CC3)nc12
BondNum,"There is a molecule with 16 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CCn1nc(C)cc1C(=O)N1CC(CO)C(C[NH+](C)C)C1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 nitro group, and 1 nitrile group.",C[NH+](C)C1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1
AddComponent,Modify the molecule CCn1c(SCc2csc(-c3ccsc3)n2)nc2ccccc21 by adding a amine.,CCn1c(SCc2csc(-c3ccsc3)n2)nc2c(N)cccc21
SubComponent,Modify the molecule halo by substituting a CCC[NH+](Cc1ccc(C)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 with a carboxyl.,CCC[NH+](Cc1ccc(C)cc1)Cc1cc(=O)c2cc(C(=O)[OH])ccc2[nH]1
DelComponent,Remove a CCSCC[NH2+]CC1(O)CCC(C)(C)CC1 from the molecule hydroxyl.,CCSCC[NH2+]CC1CCC(C)(C)CC1
LogP,Please modify the molecule CCCC=CC(O)CC(=O)NCC(=O)[O-] to increase its LogP value.,CCCC=CCCC(=O)NCC(=O)[O-]
MR,Modify the molecule CCCCCC(C)[NH2+]Cc1ccc(Cl)cc1 to have a higher MR value.,CCCCCC(C)[NH2+]Cc1ccc(NO)cc1
QED,Modify the molecule C[NH+](C)CC1CC(O)CN1C(=O)c1ccccc1[S-] to have a lower QED value.,C[NH+](C)CC12ccccc1([S-])CC(O)C2
AtomNum,"The molecule is composed of 13 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",COC(=O)C=CNc1ccccc1C(C)C
BondNum,"Please generate a molecule consisting 12 single bonds, 6 rotatable bonds, and 5 aromatic bonds.",CCc1nn(CC)c(C[NH2+]CC2CC2)c1Br
FunctionalGroup,"There is a molecule composed of 1 amide group, 1 amine group, and 1 nitro group.",CC(C)C([NH3+])CNc1ncc([N+](=O)[O-])cc1C(N)=O
AddComponent,Modify the molecule CC(C)c1nc(C2CCCS2)no1 by adding a thiol.,CC(C)c1nc(C2CC(S)CS2)no1
SubComponent,Modify the molecule hydroxyl by substituting a CC(O)C(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(CC(N)=O)C(=O)NCC(=O)[O-] with a nitrile.,CC(C#N)C(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(CC(N)=O)C(=O)NCC(=O)[O-]
DelComponent,Please remove a COC(=O)c1c(C(F)F)[nH+]c(C(F)(F)F)c(C(=O)n2cccn2)c1NC(C)C from the molecule amine.,COC(=O)c1c(C(F)F)[nH+]c(C(F)(F)F)c(C(=O)n2cccn2)c1C(C)C
LogP,Modify the molecule Cc1ccccc1C(=O)C1=CCCCC1O to have a lower LogP value.,CC(=O)C1=CCCCC1O
MR,Optimize the molecule Cc1csc(C2C[NH+](Cc3cc(C(N)=O)cs3)CCO2)n1 to have a higher MR value.,Cc1csc(C2C[NH+](Cc3cc(C(N)=O)cs3)C(c3ccccc3)CO2)n1
QED,Optimize the molecule CC[NH+](CC)Cc1ccc(C2=NN3C(C(=O)c4ccc(C#N)cc4)Oc4ccccc4C3C2)cc1 to have a lower QED value.,CC[NH+](CC)Cc1ccc(C2=NN3C(C(=O)c4ccc(C#N)cc4)Oc4c(-c5ccccc5)cccc4C3C2)cc1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCc1cnc(C[NH+](C)C2CCN(CCNS(=O)(=O)CC)C2)o1
BondNum,"There is a molecule consisting of 26 single bonds, 4 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",Cc1c(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccccc4F)c3C)CC2)cccc1C(=O)NCC(C)C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amine group.",CC(C)(C)Oc1ccc(CNc2nc3ccccc3[nH]2)cc1
AddComponent,Modify the molecule CC(C)CCC(C)[NH2+]C1CCOC(C(C)C)C1 by adding a benzene ring.,CC(C)CCC(C)[NH2+]C1CCOC(c2ccccc2)(C(C)C)C1
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc(C2=NN(C(=O)COc3c(C)cc(C)cc3C)C(O)(C(F)(F)F)C2)cc1 with a aldehyde.,CC(=O)C1(C(F)(F)F)CC(c2ccc(OC)cc2)=NN1C(=O)COc1c(C)cc(C)cc1C
DelComponent,Remove a hydroxyl from the molecule CN1CCN(CC[NH2+]C(C)(C)C(C)(C)O)CC1.,CC(C)C(C)(C)[NH2+]CCN1CCN(C)CC1
LogP,Modify the molecule CCCCNc1cc(C)nc(Nc2ccccc2C(C)(C)C)n1 to decrease its LogP value.,CCCCNc1cc(C)nc(-c2ccccc2C(C)(C)C)n1
MR,Modify the molecule Cc1ccccc1N=Nc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(O)cc1O to have a lower MR value.,Cc1ccccc1N=Nc1cc(N=NS(=O)(=O)[O-])c(O)cc1O
QED,Please optimize the molecule COc1ccc(COCC2SC(OC)C(O)C2OCc2ccc(OC)cc2)cc1 to have a lower QED value.,COc1ccc(COCC2SC(OC)C(C#N)C2OCc2ccc(OC)cc2)cc1
AtomNum,"Please generate a molecule with 10 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCCC2Br)cn1
BondNum,"Please generate a molecule composed of 18 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",COC(=O)Cc1ccc(OCN2CC(C)[NH+](Cc3ccc(F)cc3)C(=C=O)C2C)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ketone group, and 1 halo group.",C[NH+](C)CCCCC(=O)c1ccc(Br)cc1
AddComponent,Please add a hydroxyl to the molecule COC(=O)C(c1ccc(O)c(Cl)c1)N1CCC[NH2+]CC1.,COC(=O)C(c1cc(O)c(O)c(Cl)c1)N1CCC[NH2+]CC1
SubComponent,Modify the molecule N#CCN1CCC(CNC(=O)c2cc3sc(N4CCCC4)nc3s2)CC1 by substituting a nitrile with a halo.,O=C(NCC1CCN(CBr)CC1)c1cc2sc(N3CCCC3)nc2s1
DelComponent,Please remove a halo from the molecule Cc1nc(NC(=O)COc2cccc(C=C3Cc4ccc(Cl)cc4C3=O)c2)sc1C.,Cc1nc(NC(=O)COc2cccc(C=C3Cc4ccccc4C3=O)c2)sc1C
LogP,Please modify the molecule Cc1ccc(-c2ncc(C)cc2Cl)cc1 to decrease its LogP value.,Cc1ccc(-c2ccc(C)cn2)cc1
MR,Please optimize the molecule COc1ccc(Cl)cc1C(=O)NCCC(O)c1ccsc1 to have a higher MR value.,COc1cc(C(=O)O)c(Cl)cc1C(=O)NCCC(O)c1ccsc1
QED,Optimize the molecule COc1ccc(CNc2nc(-c3ccncc3)nc3sc(C)cc23)cc1Cl to have a higher QED value.,COc1ccc(CNc2nc(-c3ccncc3)nc3sc(C)cc23)cc1
AtomNum,"The molecule contains 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",CN1CN(c2cccc(Cl)c2)c2ccccc2C1=O
BondNum,"There is a molecule with 8 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cc1cccc(CCNCc2[nH+]cc(Cl)n2C)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 halo group.",CC1CCCCC1C(C[NH3+])c1ccc(F)cc1
AddComponent,Please add a hydroxyl to the molecule CCC1COC2C(C)OC(OCC34CC5C(C)CCC5C5(C=O)CC3C=C(C(C)C)C54C(=O)[O-])CC12.,CCC1COC2C(CO)OC(OCC34CC5C(C)CCC5C5(C=O)CC3C=C(C(C)C)C54C(=O)[O-])CC12
SubComponent,Substitute a halo in the molecule CCC(CCO)CNC(=O)NCCc1cc(F)c(F)c(F)c1 with a hydroxyl.,CCC(CCO)CNC(=O)NCCc1cc(O)c(F)c(F)c1
DelComponent,Modify the molecule amide by removing a CC(=O)Nc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1.,O=S1(=O)CCN(S(=O)(=O)c2ccccc2)CC1
LogP,Optimize the molecule CCCCCN(CCCCC)C(=O)C(CCO)NC(=O)c1cnc2ccccc2c1 to have a higher LogP value.,CCCCC(CCO)C(CCCC)NC(=O)c1cnc2ccccc2c1
MR,Modify the molecule Cc1csc2nc(CSCc3cc(Cl)c4c(c3)OCO4)cc(=O)n12 to decrease its MR value.,Cc1csc2nc(CSCc3ccc4c(c3)OCO4)cc(=O)n12
QED,Optimize the molecule Cc1ccc(-n2c(SCCCCC#N)nc3ccccc3c2=O)cc1 to have a higher QED value.,Cn1c(SCCCCC#N)nc2ccccc2c1=O
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CN(C(Cc1ccc(OC(C)(C)C)cc1)C(=O)OCCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
BondNum,"There is a molecule with 10 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",CN(Cc1ccc(F)cc1)C(C[NH3+])c1ccc(F)c(F)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, 1 nitrile group, 1 sulfide group, and 1 sulfone group.",CCc1c(C#N)c(-c2ccc(CCNS(=O)(=O)c3cccs3)cc2)c(C(=O)[O-])n1C
AddComponent,Add a hydroxyl to the molecule O=C(NC1=CN=C2c3cc(-c4cccnc4)ccc3CCCC2[NH2+]1)c1c(F)cccc1F.,O=C(NC1=CN=C2c3cc(-c4cccnc4)ccc3CCC(O)C2[NH2+]1)c1c(F)cccc1F
SubComponent,Please substitute a hydroxyl in the molecule CCCCCCCCCCCCCC(O)CCC(C)CO with a carboxyl.,CCCCCCCCCCCCCC(CCC(C)CO)C(=O)[OH]
DelComponent,Remove a hydroxyl from the molecule COC(=O)C([NH2+]C1CCSC1)c1ccc(O)cc1.,COC(=O)C([NH2+]C1CCSC1)c1ccccc1
LogP,Modify the molecule COc1cccc(C2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)c1OC to decrease its LogP value.,COc1cc(C(=O)O)cc(C2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)c1OC
MR,Please optimize the molecule COc1cccc(N(C)C)c1C[NH+]1CCC(Nc2nc(NCCC3CCC[NH+]3C)nc3ccccc23)CC1 to have a lower MR value.,COC(N(C)C)[NH+]1CCC(Nc2nc(NCCC3CCC[NH+]3C)nc3ccccc23)CC1
QED,Please optimize the molecule CC([NH3+])CCc1ccc(OCC#N)cc1 to have a lower QED value.,CC([NH3+])CCOCC#N
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCC[NH+]1CCC(N(C)C(=O)C[NH2+]CCOC)CC1
BondNum,"There is a molecule with 19 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",COc1cccc(C2CC(C(=O)N3CC[NH+](C)CC3)N(C)S(=O)(=O)N2)c1
FunctionalGroup,The molecule has and 2 amide groups.,Cn1cc(C(N)=O)cc1C(=O)NCC(C)(C)[NH3+]
AddComponent,Please add a hydroxyl to the molecule Cc1cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc1-c1ccc(CC(NC(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1.,Cc1c(-c2ccc(CC(NC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2)ccc(C(=O)NCCNC(=O)OC(C)(C)C)c1O
SubComponent,Substitute a halo in the molecule O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(F)cc1 with a nitro.,ONc1ccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1
DelComponent,Remove a halo from the molecule O=C(NCc1noc(-c2cccc(Br)c2)n1)c1c(F)cccc1F.,O=C(NCc1noc(-c2cccc(Br)c2)n1)c1ccccc1F
LogP,Optimize the molecule Cn1cc(CNC(=O)C2C3CCCOC32)c(C(F)(F)F)n1 to have a lower LogP value.,Cn1cc(CNC(=O)C2C3CCCOC32)c(C(F)(F)C(=O)[OH])n1
MR,Modify the molecule CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 to have a lower MR value.,CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C(C)(C)OCl
QED,Please optimize the molecule CC([NH2+]CC1(O)CCCCC1)c1cc(O)ccc1O to have a lower QED value.,CC([NH2+]CC1(O)CCCCC1)OO
AtomNum,"The molecule contains 9 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",CCOC(=O)c1noc(C)c1C(=O)CBr
BondNum,"Please generate a molecule consisting 7 single bonds, 2 double bonds, 5 rotatable bonds, and 21 aromatic bonds.",O=C(C[NH2+]Cc1c[nH]c2ccccc12)OC(=O)c1cnc2ccccc2c1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 halo groups, and 1 sulfide group.",Clc1cc(Br)ccc1C[NH2+]CCc1cscn1
AddComponent,Please add a aldehyde to the molecule CCC[NH2+]C(C)CC(C)[NH+](CC)CCOCC.,CCC[NH2+]C(C)CC(C)(CC=O)[NH+](CC)CCOCC
SubComponent,Modify the molecule halo by substituting a CC(C)(F)c1cc(F)c(F)c(CC2CCC[NH2+]2)c1 with a thiol.,CC(C)(S)c1cc(F)c(F)c(CC2CCC[NH2+]2)c1
DelComponent,Please remove a halo from the molecule O=C(c1ccn(CCCC2CCCO2)c1)C(F)(F)F.,O=C(c1ccn(CCCC2CCCO2)c1)C(F)F
LogP,Modify the molecule CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C to have a higher LogP value.,CCOc1ccc(S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C
MR,Modify the molecule Cn1c(C(C#N)=Cc2ccc(Sc3ccc(Br)cc3)o2)nc2ccccc21 to have a higher MR value.,Cn1c(C(C#N)=Cc2ccc(Sc3ccc(Br)cc3S)o2)nc2ccccc21
QED,Please optimize the molecule Cc1nc(SCCCO)c2c(C)c(C)sc2n1 to have a higher QED value.,CCCSc1nc(C)nc2sc(C)c(C)c12
AtomNum,"There is a molecule with 32 carbon atoms, 1 oxygen atom, and 6 fluorine atoms.",CCCCCC1CCC(C2CCC(C=CC(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1
BondNum,"The molecule consists of 11 single bonds, 6 rotatable bonds, and 26 aromatic bonds.",c1cnc2nc(-c3[nH]nc4ncc(-c5cncc(OCC[NH+]6CCCC6)c5)cc34)[nH]c2c1
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, and 1 amide group.",Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(OCc2ccccc2)cc1
AddComponent,Modify the molecule Clc1cccc(C[NH+]=C2Nc3c[nH+]c(N4CCOCC4)cc3NC23CC[NH2+]CC3)c1 by adding a hydroxyl.,OC1C[NH2+]CCC12Nc1cc(N3CCOCC3)[nH+]cc1NC2=[NH+]Cc1cccc(Cl)c1
SubComponent,Substitute a halo in the molecule C#Cc1cc(C(=O)NC(C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1 with a thiol.,C#Cc1cc(C(=O)NC(C)c2ccc(S)cc2)cc(N(C)S(C)(=O)=O)c1
DelComponent,Please remove a Cc1ccc(F)cc1S(=O)(=O)NC1CCCC1C[NH3+] from the molecule halo.,Cc1ccccc1S(=O)(=O)NC1CCCC1C[NH3+]
LogP,Modify the molecule Cc1ccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4ccc(C)cc4F)cc3C)CC2)cc1 to have a lower LogP value.,Cc1ccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4ccc(C)cc4C(=O)[OH])cc3C)CC2)cc1
MR,Please optimize the molecule O=C([O-])CC1CN(C(=O)CC2CSCC[NH2+]2)C1 to have a lower MR value.,O=C([O-])CC1CC2(CSCC[NH2+]2)C1
QED,Please optimize the molecule Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2N)c1C to have a lower QED value.,Cc1cccc(OCC(=O)Nc2cc(C(=O)[OH])ccc2N)c1C
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(NC(=O)C(Oc2ccccc2C#N)C(C)C)cc1
BondNum,"Please generate a molecule consisting 23 single bonds, 4 double bonds, 11 rotatable bonds, and 17 aromatic bonds.",CCCOc1ccc(C2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 amide groups.",CC=C(C)C=NNC(=O)c1cccc(C=CC(=O)NN=O)c1
AddComponent,Add a benzene ring to the molecule Cc1cccc(C)c1NC(=O)C(C)OC(=O)C=Cc1c(C)nn(C)c1C.,Cc1cccc(Cc2ccccc2)c1NC(=O)C(C)OC(=O)C=Cc1c(C)nn(C)c1C
SubComponent,Modify the molecule halo by substituting a Cc1nc(NC(=O)NC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)n[nH]1 with a hydroxyl.,Cc1nc(NC(=O)NC(Cc2ccccc2)(c2cccc(OC(O)(F)F)c2)c2cccc(OC(F)(F)F)c2)n[nH]1
DelComponent,Please remove a amine from the molecule CC(Nc1cc(Br)ccc1N)C(=O)N1CCOCC1.,CC(C(=O)N1CCOCC1)c1cc(Br)ccc1N
LogP,Modify the molecule CS(C)(Cl)CC(Cl)Cl to decrease its LogP value.,CS(C)(C#N)CC(Cl)Cl
MR,Modify the molecule C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC#N to increase its MR value.,C=C(Cc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC#N)c1ccccc1
QED,Optimize the molecule Cc1cc(C(=O)N2CC3COCC(C2)O3)c2cc(Br)ccc2n1 to have a lower QED value.,Cc1cc(C(=O)N2CC3COCC(C2)O3)c2cc(Br)c(CC=O)cc2n1
AtomNum,"Please generate a molecule consisting 32 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC1=C(CCC(C)C[NH+]2CCCCC2)OC2CC3C4CC=C5CC(=O)CCC5(C)C4CCC3(C)C12
BondNum,"There is a molecule composed of 29 single bonds, 5 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OCC
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 2 halo groups.",CC[NH2+]C(c1cccc(Cl)c1)c1ccc(OC)cc1Cl
AddComponent,Modify the molecule CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cscn2)cc1 by adding a benzene ring.,CC(C)(C)OC(=O)c1ccc(C([NH2+]Cc2cscn2)c2ccccc2)cc1
SubComponent,Modify the molecule nitrile by substituting a N#Cc1ccc(CNC(=O)C2C3C4CCC(C4)C23)cc1 with a carboxyl.,O=C([OH])c1ccc(CNC(=O)C2C3C4CCC(C4)C23)cc1
DelComponent,Please remove a Nc1ccc(CC(=O)N2CC[NH+](Cc3ccc(Cl)s3)CC2)nc1 from the molecule amide.,Nc1ccc(C2CC[NH+](Cc3ccc(Cl)s3)C2)nc1
LogP,Please optimize the molecule CNC(=O)C(C)CN(C)C(=O)c1cccc(OCC(=O)[O-])c1 to have a higher LogP value.,CCCN(C)C(=O)c1cccc(OCC(=O)[O-])c1
MR,Optimize the molecule CC(C)n1ncc(Cl)c1CCC([NH3+])C(C)(C)C to have a lower MR value.,CC(C)n1ncc(C#N)c1CCC([NH3+])C(C)(C)C
QED,Modify the molecule COC(O)=C1C(C)=NC(C)=C(C(=O)OCCN(C)Cc2[nH]o[n+](=O)c2C)C1c1cccc([N+](=O)[O-])c1 to decrease its QED value.,COC(O)=C1C(C)=NC(C)=C(C(=O)OCC(N)N(C)Cc2[nH]o[n+](=O)c2C)C1c1cccc([N+](=O)[O-])c1
AtomNum,"Please generate a molecule with 8 carbon atoms, 1 oxygen atom, 1 chlorine atom, and 2 silicon atoms.",CC1(C)CC[Si](C)(Cl)[Si](C)(C)O1
BondNum,"There is a molecule with 13 single bonds, 9 rotatable bonds, and 6 aromatic bonds.",COCC[NH+](CCO)CC(O)c1cccc(OC)c1
FunctionalGroup,"Please generate a molecule composed of 2 amine groups, and 1 sulfide group.",CC(C)C(Nc1nccc(C(=O)[O-])c1N)c1cccs1
AddComponent,Please add a benzene ring to the molecule C[NH+](C)C1CCCN(C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C1.,C[NH+](C)C1CCCN(C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3c3ccccc3)C4)cc2)C1
SubComponent,Substitute a Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 in the molecule halo with a nitrile.,Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)C#N)cc3)CC2)cc1
DelComponent,Please remove a halo from the molecule [NH3+]C(Cc1ccc(Oc2ccc(Cn3c([O-])coc3=O)cc2)c(C(F)(F)F)c1)C(=O)[O-].,[NH3+]C(Cc1ccc(Oc2ccc(Cn3c([O-])coc3=O)cc2)c(C(F)F)c1)C(=O)[O-]
LogP,Optimize the molecule BC1CSC(C)(OCC=O)O1 to have a higher LogP value.,BC1CSC(C)(OC(C=O)c2ccccc2)O1
MR,Please modify the molecule CC(=O)NCCc1cn(CC(=O)Nc2ccccc2Br)c2ccccc12 to decrease its MR value.,CC(=O)NCCc1cn(-c2ccccc2Br)c2ccccc12
QED,Please optimize the molecule CC(=O)NC(c1ccc(F)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1C to have a lower QED value.,CC(=O)NC(c1ccc(C(=O)[OH])cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1C
AtomNum,"The molecule contains 11 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",N#CC1(Sc2ccc(Cl)cc2)CC1CO
BondNum,"Please generate a molecule consisting 20 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 11 aromatic bonds.",Cc1cc(N2CCCCC2CC(=O)NC2(C#N)CCCCC2)nc(-n2ccnc2)n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",Cc1cccc(N2CCN(C(=O)c3nc[nH]c3C)CC2)c1
AddComponent,Modify the molecule Cc1cscc1CN1C(=O)C(C(C)C)NC(=O)C1C(C)C by adding a hydroxyl.,Cc1cscc1CN1C(=O)C(C(C)C)NC(=O)C1(O)C(C)C
SubComponent,Modify the molecule hydroxyl by substituting a O=C(CC1C=CCC1)N1CCC(C(O)c2ccccc2)CC1 with a carboxyl.,O=C([OH])C(c1ccccc1)C1CCN(C(=O)CC2C=CCC2)CC1
DelComponent,Modify the molecule amide by removing a Cc1ccsc1-c1nsc(NC(=O)C2CC3CCCC(C2)C3=O)n1.,Cc1ccsc1-c1nsc(C2CC3CCCC2C3=O)n1
LogP,Modify the molecule Cc1ccc(CNc2cc(C)nc(Nc3cc(Cl)ccc3C)n2)cc1 to have a lower LogP value.,Cc1ccc(CNc2cc(C)nc(Nc3cc(S)ccc3C)n2)cc1
MR,Please modify the molecule COc1cc(CCC(=O)NC(CO)Cc2ccccc2)cc2c(C(=O)OCCOCCCl)c(Cc3ccccc3)oc12 to decrease its MR value.,CCOCCOC(=O)c1c(Cc2ccccc2)oc2c(OC)cc(CCC(=O)NC(CO)Cc3ccccc3)cc12
QED,Modify the molecule O=C(NCC(O)CO)C1CCCC[NH2+]1 to have a higher QED value.,O=C([OH])C(CO)CNC(=O)C1CCCC[NH2+]1
AtomNum,"There is a molecule with 23 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",Cc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(C)nc32)cc1
BondNum,"There is a molecule consisting of 24 single bonds, 4 double bonds, 6 rotatable bonds, and 24 aromatic bonds.",CC[NH+]1CCN(C(=O)C=C2c3ccccc3N(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)CCC2(F)F)CC1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amine group, and 1 halo group.",CC(OC(=O)Nc1ccc(-c2c(N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)c1ccc(F)cc1
AddComponent,Modify the molecule CCCCCCCc1nc(C(C)([NH3+])COCCC)no1 by adding a amine.,CCCOCC(C)([NH3+])c1noc(CCCCCC(C)N)n1
SubComponent,Substitute a hydroxyl in the molecule CCN1C(=O)C(=Cc2cc(Br)cc(OC)c2O)SC1=S with a nitro.,CCN1C(=O)C(=Cc2cc(Br)cc(OC)c2NO)SC1=S
DelComponent,Please remove a COc1ccc(-c2noc(-c3ccccc3OCC(=O)NCc3ccco3)n2)cc1 from the molecule benzene ring.,COc1noc(-c2ccccc2OCC(=O)NCc2ccco2)n1
LogP,Optimize the molecule Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NC(=O)c2ccc(Br)o2)CC1 to have a lower LogP value.,Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NC(=O)c2ccco2)CC1
MR,Modify the molecule O=C(Cl)c1cnc(C(F)F)c(F)c1F to have a higher MR value.,O=C(Cl)c1cnc(C(F)F)cc1F
QED,Please modify the molecule CC(C)CC(NC(=O)CNC(=O)CCSc1ccccc1)C(=O)[O-] to increase its QED value.,CC(C)CC(NC(=O)CCSc1ccccc1)C(=O)[O-]
AtomNum,"The molecule is composed of 19 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CN(C)N=Nc1ccc(C(=O)c2ccc(OC(C)(C)C(=O)[O-])cc2)cc1
BondNum,"The molecule contains 12 single bonds, 2 double bonds, 2 rotatable bonds, and 18 aromatic bonds.",CN1c2ccccc2SC1C=C1C=C(Br)N(c2ccccc2)c2ccccc21
FunctionalGroup,"Please generate a molecule with 1 halo group, and 2 sulfide groups.",Cc1nc(-c2cncc(F)c2)sc1-c1nc(-c2ccccn2)cc2sccc12
AddComponent,Modify the molecule COc1ccc(-c2nnc3sc(NC(=O)CCC4CCCC4)nn23)cc1 by adding a benzene ring.,COc1ccc(-c2nnc3sc(NC(=O)CCC4CCC(c5ccccc5)C4)nn23)cc1
SubComponent,Modify the molecule halo by substituting a Nc1cc(-c2nc(F)c(C(F)(F)F)cc2Cl)[nH]n1 with a aldehyde.,CC(=O)c1nc(-c2cc(N)n[nH]2)c(Cl)cc1C(F)(F)F
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1.,CCON(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1
LogP,Optimize the molecule Cc1nc(Nc2ccc(F)cc2F)cc(C(=O)NCc2ccccc2F)n1 to have a higher LogP value.,Cc1nc(Nc2ccc(S)cc2F)cc(C(=O)NCc2ccccc2F)n1
MR,Optimize the molecule CCC(C)NC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(C)c(NC(=O)c4ccccc4)c3)CC2)ccc1Cl to have a lower MR value.,CCC(C)NC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(C)c(NC(=O)c4ccccc4)c3)CC2)c1
QED,Optimize the molecule Cc1ccc(C(CC(C)(C)C#N)(c2ccc(C)cc2)C(C)(C)C#N)cc1 to have a higher QED value.,Cc1ccc(C(C)(CC(C)(C)C#N)C(C)(C)C#N)cc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 5 nitrogen atoms, and 1 chlorine atom.",CN(c1cnc(C#N)c(Cl)n1)C1CCCCC1[NH+](C)C
BondNum,"The molecule consists of 41 single bonds, 9 double bonds, 26 rotatable bonds, and 17 aromatic bonds.",CCC(C)C(NC(=O)C(CCC(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)C(Cc1ccc(O)c(O)c1)NOC(=O)Cc1ccc(O)c2cc(O)ccc12)C(=O)NC(CCC(=O)[O-])C(=O)[O-]
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ester group, 1 amide group, and 1 sulfide group.",COC(=O)c1cc(CNC(=O)Cc2ccsc2)ccc1OC
AddComponent,Modify the molecule CC(C)CC(SCCCC(F)(F)C(F)C(F)F)C(=O)[O-] by adding a carboxyl.,CC(C)CC(SCCCC(F)(F)C(F)(C(=O)O)C(F)F)C(=O)[O-]
SubComponent,Modify the molecule halo by substituting a CCCC([NH3+])[Si]Cc1ccc(F)c(C)c1 with a thiol.,CCCC([NH3+])[Si]Cc1ccc(S)c(C)c1
DelComponent,Remove a amine from the molecule CC(C)Nc1cc(C(=O)NCc2ccco2)nc(-c2ccccc2)n1.,CC(C)c1cc(C(=O)NCc2ccco2)nc(-c2ccccc2)n1
LogP,Modify the molecule CCCc1c(Cl)ncnc1NCC(C)(C)CCO to decrease its LogP value.,CCCc1c(NCC(C)(C)CCO)ncnc1C(=O)[OH]
MR,Optimize the molecule Cc1cc(C)c(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Br)c2)C2CCCCC2)c(C)c1 to have a lower MR value.,Cc1cc(C)c(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2)C2CCCCC2)c(C)c1
QED,Please optimize the molecule O=C(NCC1(O)CCSC1)c1cc2c(s1)-c1ccccc1CC2 to have a lower QED value.,O=CCC1SCCC1(O)CNC(=O)c1cc2c(s1)-c1ccccc1CC2
AtomNum,"Please generate a molecule with 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",O=C([O-])C1CCCCN1C(=O)CN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S
BondNum,"The molecule consists of 15 single bonds, 2 double bonds, 1 triple bond, 9 rotatable bonds, and 12 aromatic bonds.",CCOc1cc(C(Nc2ccc(C#N)cc2)C(=O)OC)c([N+](=O)[O-])cc1OCC
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 hydroxyl group, 1 ketone group, and 3 amide groups.",CC1CC=C2C(=O)N(NC(=O)CCCOc3ccc(C(=O)c4ccccc4)c(O)c3)C(=O)C2C1
AddComponent,Add a aldehyde to the molecule CCOC(=O)Cc1c(C(F)(F)F)nc2cc(SC)ccc2c1Cl.,CCOC(=O)C(CC=O)c1c(C(F)(F)F)nc2cc(SC)ccc2c1Cl
SubComponent,Please substitute a halo in the molecule CC(C)(C)NC(=O)CS(=O)(=O)c1cc(C(=O)[O-])ccc1Br with a thiol.,CC(C)(C)NC(=O)CS(=O)(=O)c1cc(C(=O)[O-])ccc1S
DelComponent,Modify the molecule benzene ring by removing a O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cscn1.,O=C(c1cscn1)N(F)Oc1cncnc1
LogP,Optimize the molecule COc1cnn(CC[NH+](C)C)c1C([NH3+])c1ccc(Br)cn1 to have a higher LogP value.,C[NH+](C)CCn1ncc(OCc2ccccc2)c1C([NH3+])c1ccc(Br)cn1
MR,Please optimize the molecule COCCOC(=O)C(C#N)=Cc1c(C)nn(-c2ccccc2)c1C to have a higher MR value.,COCCOC(=O)C(S)=Cc1c(C)nn(-c2ccccc2)c1C
QED,Modify the molecule CCC(C)C(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)C(N1CCNC1=O)C(C)(C)C)N1CCN(Cc2cccc(C)n2)C1=O to increase its QED value.,CCC(C)C(C(=O)NC(Cc1ccccc1)C(F)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)C(N1CCNC1=O)C(C)(C)C)N1CCN(Cc2cccc(C)n2)C1=O
AtomNum,"Please generate a molecule composed of 8 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, 1 chlorine atom, and 1 phosphorus atom.",NP(N)(=O)SCCc1cccc(Cl)c1
BondNum,"There is a molecule consisting of 12 single bonds, 3 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",Cc1nc(C=CC(=O)N2CCSCC2C(=O)[O-])cs1
FunctionalGroup,"The molecule has 1 amine group, and 3 halo groups.",CNC(c1nnc(C)n1C)C(F)(F)F
AddComponent,Please add a benzene ring to the molecule Cc1cc(Cl)ccc1OCCCOc1ccc(C#N)cc1.,Cc1cc(Cl)ccc1OC(CCOc1ccc(C#N)cc1)c1ccccc1
SubComponent,Substitute a halo in the molecule COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCC([NH2+]CCOP(=O)([O-])[O-])C1CCC1 with a thiol.,COc1cc2c(Nc3cc(CC(=O)Nc4cccc(S)c4)[nH]n3)ncnc2cc1OCCC([NH2+]CCOP(=O)([O-])[O-])C1CCC1
DelComponent,Remove a amide from the molecule CC(C)n1nc(C(=O)N(C)C2CN(c3cc4c(nn3)CCC4)C2)ccc1=O.,CC(C)n1c(=O)cc-n1C1(C)CN(c2cc3c(nn2)CCC3)C1
LogP,Modify the molecule CCN(CC(=O)Nc1[nH+]c(-c2ccc(Cl)cc2)cn1-c1ccc(OC)cc1)C(=O)c1cccc(OC)c1 to have a lower LogP value.,CCN(CC(=O)Nc1[nH+]c(-c2ccc(C#N)cc2)cn1-c1ccc(OC)cc1)C(=O)c1cccc(OC)c1
MR,Modify the molecule COc1ccc(Nc2nc(NN=Cc3ccc(F)cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 to have a higher MR value.,COc1ccc(Nc2nc(NN=Cc3ccc(F)c(O)c3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1
QED,Please optimize the molecule C=CCCOC(=O)C1C2CCC3(S2)C1C(=O)N(C(CC)CO)C3C(=O)N(CC=C)Cn1nnc2ccccc21 to have a higher QED value.,C=CCCOC(=O)C1C2CCC3(S2)C1C(=O)N(C(C)CC)C3C(=O)N(CC=C)Cn1nnc2ccccc21
AtomNum,"There is a molecule consisting of 34 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1Cl)c1ccc2c(c1)OCO2
BondNum,"Please generate a molecule with 17 single bonds, and 4 rotatable bonds.",[NH3+]CC1CCC(C[NH2+]C2CC[NH2+]CC2)CC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 2 halo groups.",O=C([O-])c1cncc(NC(=O)c2c(F)cccc2F)c1
AddComponent,Modify the molecule O=C([O-])c1cc(C(=O)N2CC[NH2+]CC2)cc(C(=O)N2CC[NH2+]CC2)c1 by adding a amine.,NC1C[NH2+]CCN1C(=O)c1cc(C(=O)[O-])cc(C(=O)N2CC[NH2+]CC2)c1
SubComponent,Modify the molecule halo by substituting a O=C(Nc1ccccc1Cl)N1CCCC(N2CCCC2=O)CC1 with a hydroxyl.,O=C(Nc1ccccc1O)N1CCCC(N2CCCC2=O)CC1
DelComponent,Modify the molecule amide by removing a CCOc1ccc(SCC(=O)NCc2ccc(N3CCCC3)nc2)cc1.,CCOc1ccc(SCc2ccc(N3CCCC3)nc2)cc1
LogP,Optimize the molecule Cn1ccnc1Cn1[nH]c2ccc(Cl)cc2c1=O to have a lower LogP value.,Cn1ccnc1Cn1[nH]c2ccc(S)cc2c1=O
MR,Please optimize the molecule Cc1c(Cl)cccc1NC(=O)C(C)n1cnc2scc(-c3ccc(Br)cc3)c2c1=O to have a higher MR value.,Cc1c(NO)cccc1NC(=O)C(C)n1cnc2scc(-c3ccc(Br)cc3)c2c1=O
QED,Optimize the molecule O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCn1cnc2ccccc21 to have a higher QED value.,O=[N+]([O-])c1ccc(CCCn2cnc3ccccc32)cc1
AtomNum,"The molecule has 15 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC1(C)CSC(=[NH+]Cc2cccc3cccnc23)N1
BondNum,"There is a molecule consisting of 17 single bonds, 2 double bonds, 6 rotatable bonds, and 10 aromatic bonds.",Cc1ccsc1C(C(=O)NC1CCCC1)N(C(=O)c1csnn1)C1CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 ketone group.",COc1ccccc1N=NC1C(=O)C=Cc2ccc([N+](C)(C)C)cc21
AddComponent,Modify the molecule C#CC[NH2+]CC(=O)Nc1ccc(N(CC)CC)cc1 by adding a benzene ring.,C#CC[NH2+]CC(=O)Nc1ccc(N(CC)CCc2ccccc2)cc1
SubComponent,Substitute a halo in the molecule COc1ccc(NC(=O)C(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccccc2)c(OC)c1 with a hydroxyl.,COc1ccc(NC(=O)C(Sc2ccc(NC(=O)c3ccc(O)cc3)cc2)c2ccccc2)c(OC)c1
DelComponent,Remove a benzene ring from the molecule CC(=O)Cc1c(Cl)ccc(O)c1C.,CC(=O)C(O)CCl
LogP,Modify the molecule CCC1(C(=O)N2CC3CCCCC3C2)CCOCC1 to have a lower LogP value.,O=C(N1CC2CCCCC2C1)C1(CCO)CCOCC1
MR,Modify the molecule COc1ccc(C=CC(=O)Nc2cc(F)ccc2C(=O)[O-])c(OC)c1OC to have a lower MR value.,COc1ccc(Cc2cc(F)ccc2C(=O)[O-])c(OC)c1OC
QED,Please modify the molecule COc1cc(NC(=O)c2ccc(F)cc2C)cc(OC)c1 to decrease its QED value.,COc1cc(NC(=O)c2ccccc2C)cc(OC)c1
AtomNum,"The molecule consists of 8 carbon atoms, 1 nitrogen atom, 3 fluorine atoms, and 1 bromine atom.",N#CC1(Br)CCCC(C(F)(F)F)C1
BondNum,"The molecule has 15 single bonds, 2 double bonds, and 3 rotatable bonds.",CCC1OC(CC=CI)C(Cl)CC=CCC1Br
FunctionalGroup,The molecule is composed of and 2 amide groups.,COCC(=O)N1CC(C(N)=O)C2(CCOCC2)C1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C([NH3+])CC[NH+]2CCCC(O)C2)cc1F.,Cc1ccc(C([NH3+])(CC[NH+]2CCCC(O)C2)c2ccccc2)cc1F
SubComponent,Modify the molecule halo by substituting a CC(C)(C)OC(=O)CN(C(=O)c1c(F)cccc1F)c1cccc(-c2ccc(S(N)(=O)=O)c(Cl)c2)c1 with a nitrile.,CC(C)(C)OC(=O)CN(C(=O)c1c(F)cccc1C#N)c1cccc(-c2ccc(S(N)(=O)=O)c(Cl)c2)c1
DelComponent,Modify the molecule amine by removing a CC([NH3+])CNc1nc2c(cc1C#N)CCCC2.,CC([NH3+])Cc1nc2c(cc1C#N)CCCC2
LogP,Modify the molecule O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 to have a lower LogP value.,O=C(NCCc1c[nH]c2ccccc12)S(=O)(=O)NCCc1cccs1
MR,Please modify the molecule CCCCCC(C)(C)c1cc(C(C)C)nc(CC=CC#N)n1 to decrease its MR value.,CCCCCC(C)(C)c1cc(C(C)C)nc(CC=CO)n1
QED,Modify the molecule CCCOc1ccccc1NCc1cc(Cl)cs1 to decrease its QED value.,CCCOc1ccccc1Cc1cc(Cl)cs1
AtomNum,"Please generate a molecule with 17 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",O=C(NC1CCOC1)C1CCC(c2ccccc2)CC1
BondNum,"There is a molecule composed of 10 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(OCc2c(C(=O)Nc3c(C)cccc3C)noc2C)cc1
FunctionalGroup,"The molecule has 3 benzene ring groups, 4 amide groups, and 3 halo groups.",Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(F)cc2F)C(C)C)CC1
AddComponent,Add a nitrile to the molecule Cc1ccnc2nc(C(=O)N3CCCCC3CCO)nn12.,N#CCc1ccnc2nc(C(=O)N3CCCCC3CCO)nn12
SubComponent,Substitute a CCOP(=O)(CC(O)C1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)OCC in the molecule hydroxyl with a nitrile.,CCOP(=O)(CC(C#N)C1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)OCC
DelComponent,Please remove a amine from the molecule CC(=O)N1CCC(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1.,CC(=O)N1CCC(Cc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1
LogP,Modify the molecule CC1CCc2c1nn(C)c2C(=O)NCc1ccc(OC(F)(F)C(F)OC(F)(F)F)cc1 to have a lower LogP value.,CC1CCc2c1nn(C)c2C(=O)NCc1ccc(OC(F)(F)C(F)OC(F)F)cc1
MR,Please optimize the molecule COc1ccccc1C=CC=C(C#N)c1nc2ccccc2n1C to have a higher MR value.,COc1ccccc1C=CC=C(S)c1nc2ccccc2n1C
QED,Please optimize the molecule CC(NC(=O)Cc1ccc2c(c1)OCCCO2)C(=O)[O-] to have a lower QED value.,CC(C(=O)[O-])c1ccc2c(c1)OCCCO2
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CCOc1cccc(C([NH2+]CCC(=O)[O-])C(=O)[O-])c1
BondNum,"Please generate a molecule composed of 17 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",Cc1ccccc1NC(=O)C(C)[NH2+]C1CCN(C(=O)C(C)C)CC1
FunctionalGroup,There is a molecule with and 4 hydroxyl groups.,C[NH+]1C(O)C(CO)C(CO)C1O
AddComponent,Add a hydroxyl to the molecule O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(OCCn2cccn2)c1.,O=C(Cc1c(O)cccc1[N+](=O)[O-])Nc1cccc(OCCn2cccn2)c1
SubComponent,Please substitute a COCCn1c(=NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2cc([N+](=O)[O-])ccc21 in the molecule halo with a nitrile.,COCCn1c(=NC(=O)c2cc(C#N)ccc2[N+](=O)[O-])sc2cc([N+](=O)[O-])ccc21
DelComponent,Modify the molecule Fc1c(Cl)ccc2nc(Br)sc12 by removing a halo.,Clc1ccc2nc(Br)sc2c1
LogP,Please optimize the molecule COc1ccccc1C1N(c2ccc(F)cc2)C(=O)C2CCC[NH+]21 to have a higher LogP value.,COc1ccccc1C1N(c2ccc(S)cc2)C(=O)C2CCC[NH+]21
MR,Modify the molecule Cc1ccc(C(NC(=O)Cc2ccc3oc(C(c4c(C)noc4C)n4cnnn4)cc3c2)c2ccccc2)c(C)c1 to decrease its MR value.,Cc1noc(C)c1C(c1cc2cc(CC(=O)NC(C)(C)c3ccccc3)ccc2o1)n1cnnn1
QED,Modify the molecule CCN(CC[NH+](C)C)c1ccc(NNC2=[NH+]C(c3ccccc3)NS2)cc1 to decrease its QED value.,CCN(CC[NH+](C)C)c1ccc(NNC2=[NH+]C(c3ccccc3N)NS2)cc1
AtomNum,"The molecule contains 23 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c2cccnc12
BondNum,"The molecule has 14 single bonds, 5 rotatable bonds, and 18 aromatic bonds.",COc1ccc(N2CCN(c3ncnc(Nc4cc(C)ccn4)c3N)CC2)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 2 halo groups, and 1 sulfide group.",CN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(Cl)cc1Cl
AddComponent,Please add a benzene ring to the molecule CS(O)(O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2F)c1.,CS(O)(O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2F)c1-c1ccccc1
SubComponent,Please substitute a halo in the molecule CCCCCC(=O)N1CCC(OCc2[nH]c3ccc(F)cc3c(=O)c2C)CC1 with a nitro.,CCCCCC(=O)N1CCC(OCc2[nH]c3ccc(NO)cc3c(=O)c2C)CC1
DelComponent,Remove a benzene ring from the molecule COc1cccc(Nc2c(Cl)ccc3nsnc23)c1N.,CONNc1c(Cl)ccc2nsnc12
LogP,Modify the molecule Cc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)Nc4cc(C(=O)Nc5ccc(C)cc5F)ccc4C)CC3)c(C)c2)c(F)c1 to decrease its LogP value.,Cc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)Nc4cc(C(=O)Nc5ccc(C)cc5C#N)ccc4C)CC3)c(C)c2)c(F)c1
MR,Please modify the molecule COc1ccc(-c2c3c(c[nH]c2=O)Sc2ccccc2N3)cc1 to increase its MR value.,COc1ccc(-c2c3c(c(O)[nH]c2=O)Sc2ccccc2N3)cc1
QED,Please modify the molecule CN(C)C(=O)c1cc(NCC[NH2+]C(C)(C)C)ccc1Cl to decrease its QED value.,CC(=O)c1ccc(NCC[NH2+]C(C)(C)C)cc1C(=O)N(C)C
AtomNum,"There is a molecule composed of 29 carbon atoms, 2 oxygen atoms, and 8 nitrogen atoms.",CC(C)(C)c1ccc(NC(=O)c2cc3ccccc3c(N=Nc3c(C#N)cnn3-c3ncccn3)c2O)cc1
BondNum,"Please generate a molecule composed of 8 single bonds, 5 rotatable bonds, and 16 aromatic bonds.",CCn1c(COc2cccc(OC)c2)cc2cccc(C)c21
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, and 1 sulfide group.",Cc1nc(C)c(NC(=O)NCC(C)(O)C[NH+]2CCOCC2)s1
AddComponent,Modify the molecule CCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C#N)c(Cl)c2)cc1Cl)S(=O)(=O)c1ccc(SC)cc1 by adding a amine.,CCC(C(=O)Nc1c(Cl)cc(NC(=O)c2ccc(C#N)c(Cl)c2)c(O)c1N)S(=O)(=O)c1ccc(SC)cc1
SubComponent,Please substitute a halo in the molecule CC(O)(C(=O)N1CCn2c(c[nH+]c2-c2ccccc2)C1)C(F)F with a thiol.,CC(O)(C(=O)N1CCn2c(c[nH+]c2-c2ccccc2)C1)C(F)S
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccc(NC(=O)N2CCCC2c2ccc(Cl)cc2)cc1.,CCOc1ccc(NC(=O)N2CCCC2Cl)cc1
LogP,Modify the molecule CN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(Cl)c1N to decrease its LogP value.,CC(c1ccc(F)c(F)c1)c1(N)c(Cl)ccc-1
MR,Modify the molecule Nc1ccn(-c2cccc(O)c2)n1 to have a lower MR value.,Nc1ccn(-c2ccccc2)n1
QED,Optimize the molecule CCCCCc1c(C)cccc1Cl to have a higher QED value.,CCCCCc1c(C)cccc1O
AtomNum,"There is a molecule with 34 carbon atoms, and 6 oxygen atoms.",OCC1(Cc2ccccc2)OC(O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
BondNum,"The molecule contains 14 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CC(CC(=O)OC(C)(C)C)[NH2+]CC(O)c1ccccc1F
FunctionalGroup,"The molecule consists of 1 amide group, and 3 sulfide groups.",CCc1nnc(NC(=O)Cc2csc(-c3ccsc3)n2)s1
AddComponent,Add a hydroxyl to the molecule CC(C)c1ccc(F)cc1N1CCOC1=O.,CC(C)c1c(O)cc(F)cc1N1CCOC1=O
SubComponent,Substitute a halo in the molecule CC(=O)c1cccc(NC(=O)NCCOc2ccccc2F)c1 with a nitro.,CC(=O)c1cccc(NC(=O)NCCOc2ccccc2NO)c1
DelComponent,Please remove a NS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccccc2)c1 from the molecule amine.,O=C(Nc1cccc([SH](=O)=O)c1)c1nc2ccccc2nc1Oc1ccccc1
LogP,Modify the molecule O=C(CSc1cccc(NC(=O)C(=Cc2cccc(Cl)c2Cl)NC(=O)c2ccccc2)c1)Nc1ccc2c(c1)OCCO2 to have a lower LogP value.,O=C(CSNC(=O)C(=Cc1cccc(Cl)c1Cl)NC(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2
MR,Please optimize the molecule Cc1ccc(O)c(C(C)C(=O)[O-])c1C to have a lower MR value.,CCOC(C)C(=O)[O-]
QED,Modify the molecule C[NH2+]C(c1cnc2ccsc2c1)c1ccc(Br)c(Cl)c1F to increase its QED value.,C[NH2+]C(c1cnc2ccsc2c1)c1ccc(C(=O)[OH])c(Cl)c1F
AtomNum,"The molecule is composed of 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 15 fluorine atoms.",CCCCCCNC(=O)OC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
BondNum,"Please generate a molecule consisting 27 single bonds, 4 double bonds, 11 rotatable bonds, and 12 aromatic bonds.",CCC(C)NC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3C(=O)NCC(C)C)CC2)c1C
FunctionalGroup,There is a molecule consisting of and 3 amide groups.,CC(NC(=O)CCC1CCCCC1)C(=O)NN1C(=O)C(C)c2ccccc2-c2ccccc21
AddComponent,Modify the molecule CCCCC(CCC)NC(=O)C1CC(CC)CC1C(=O)[O-] by adding a benzene ring.,CCCC(NC(=O)C1CC(CC)CC1C(=O)[O-])C(CCC)c1ccccc1
SubComponent,Please substitute a halo in the molecule CN(C)C(=O)CNc1ncc(Br)cc1C(=O)[O-] with a thiol.,CN(C)C(=O)CNc1ncc(S)cc1C(=O)[O-]
DelComponent,Please remove a amide from the molecule COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N(C)C4CCN(C(=O)c5ccccn5)CC4)nc3n2)cc1CO.,COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N(C)C4CCn5ccccC5C4)nc3n2)cc1CO
LogP,Modify the molecule COc1c(O)ccc(O)c1CNc1ncnc2nc[nH]c12 to have a higher LogP value.,COc1c(C#N)ccc(O)c1CNc1ncnc2nc[nH]c12
MR,Modify the molecule COC(=O)Cc1nnc(-c2sccc2C)o1 to increase its MR value.,COC(=O)C(c1ccccc1)c1nnc(-c2sccc2C)o1
QED,Please modify the molecule C=C(C)COc1c(N)cc(C#N)cc1Br to decrease its QED value.,C=C(C)COc1c(N)cc(C#N)cc1C#N
AtomNum,"The molecule consists of 7 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 2 fluorine atoms, and 1 bromine atom.",Nc1cc(Br)cnc1OCC(F)F
BondNum,"The molecule is composed of 16 single bonds, 4 double bonds, 11 rotatable bonds, and 10 aromatic bonds.",[NH3+]C(Cc1cnc[nH]1)C(=O)NC(CC(=O)[O-])C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfide group.",O=C(CCc1ccccc1C(=O)[O-])NCCCCc1ccc(Cl)s1
AddComponent,Please add a amine to the molecule CCCCCCCCCCCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCC(NC(=O)C[NH3+])C(N)=O)C(=O)[O-].,CCCCCCCCCCCC(=O)NC(CN)C(=O)NC(CCC(=O)NCCCCC(NC(=O)C[NH3+])C(N)=O)C(=O)[O-]
SubComponent,Substitute a hydroxyl in the molecule C[NH+]1CCCC(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)C1 with a nitro.,C[NH+]1CCCC(c2nc(-c3cc(C(C)(C)C)c(NO)c(C(C)(C)C)c3)cs2)C1
DelComponent,Remove a hydroxyl from the molecule CCC([NH2+]CC(O)c1ccsc1)C(=O)OC.,CCC([NH2+]CCc1ccsc1)C(=O)OC
LogP,Modify the molecule CC(=O)Nc1ccc2c(COC(=O)C=Cc3ccc(OC(F)(F)F)cc3)cc(=O)oc2c1 to have a lower LogP value.,CC(=O)Nc1ccc2c(COC(=O)C=COC(F)(F)F)cc(=O)oc2c1
MR,Modify the molecule O=C1CCCN1CC(=O)N1CCCC(c2ncc(Cc3cccc(F)c3)o2)C1 to have a higher MR value.,O=C([OH])c1cccc(Cc2cnc(C3CCCN(C(=O)CN4CCCC4=O)C3)o2)c1
QED,Modify the molecule CC(C)COC(C)Oc1ccc(C(CC(C)I)C(C)C)cc1 to have a higher QED value.,CC(C)COC(C)OC(CC(C)I)C(C)C
AtomNum,"The molecule has 42 carbon atoms, 6 oxygen atoms, and 5 nitrogen atoms.",CCCCC([NH2+]C(Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)NC(C)(C(O)CC(C(=O)NCCC[NH+](C)C)C(C)C)C1CCCCC1
BondNum,"The molecule contains 10 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",CC[NH+](CC)CCCOc1ncnc2ccc(Cl)cc12
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, and 3 amine groups.",C[NH+]=C(NCc1cccc(C[NH+]2CCCC(C(N)=O)C2)c1)NC1CCN(C(=O)C(C)C)C1
AddComponent,Add a hydroxyl to the molecule Cc1ccccc1-c1nn2c(-c3ccccc3Cl)nnc2s1.,Cc1ccccc1-c1nn2c(-c3cc(O)ccc3Cl)nnc2s1
SubComponent,Please substitute a halo in the molecule CC(C)(C)OC(=O)N1CCOC(C(Oc2ccccc2OCC=CI)c2ccccc2)C1 with a thiol.,CC(C)(C)OC(=O)N1CCOC(C(Oc2ccccc2OCC=CS)c2ccccc2)C1
DelComponent,Remove a benzene ring from the molecule CC1(C)C(=CC=CC=CC2=Nc3c(cc(C#CS(=O)(=O)O)c[n+]3CCCCS(=O)(=O)O)C2(C)C)N=C2C1=CC(C#Cc1ccc(SOOO)cc1)=CN2CCCCS(=O)(=O)O.,CC1(C)C(=CC=CC=CC2=Nc3c(cc(C#CS(=O)(=O)O)c[n+]3CCCCS(=O)(=O)O)C2(C)C)N=C2C1=CC(C#CSOOO)=CN2CCCCS(=O)(=O)O
LogP,Modify the molecule Cc1nnc(SCC(=O)NC2C3CN4CC[NH+](C3)CC2(c2ccccc2)C4)s1 to increase its LogP value.,Cc1nnc(SC2C3CN4CC[NH+](C3)CC2(c2ccccc2)C4)s1
MR,Modify the molecule CCSC1=C(C(=O)[O-])C(C)=CC(N2CCOCC2)[NH+]1Cc1ccc(OC)cc1 to have a higher MR value.,CCSC1=C(C(=O)[O-])C(C)=CC(N2CCOC(O)C2)[NH+]1Cc1ccc(OC)cc1
QED,Please modify the molecule COCC(NC(=O)NCc1c(Cl)cccc1OC)C(=O)[O-] to decrease its QED value.,COc1cccc(Cl)c1CNC(=O)NC(C(=O)[O-])C(N)OC
AtomNum,"The molecule is composed of 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",CCOc1ccc(NCC2(C(=O)OC)CC2)cc1F
BondNum,"There is a molecule with 17 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",CC1CN(C(=O)c2ccc(-c3cnc(N)c(OCc4cccc(Cl)c4F)c3)cc2)CC(C)[NH2+]1
FunctionalGroup,"The molecule has 1 hydroxyl group, 4 amide groups, 1 thioether group, and 1 thiol group.",CC(O)C([NH3+])C(=O)NC(CCC(N)=O)C(=O)NC(CC(=O)[O-])C(=O)NC(CS)C(=O)[O-]
AddComponent,Please add a benzene ring to the molecule O=C(CCC1CCCCO1)NCC[NH2+]C1CC1.,O=C(NCC[NH2+]C1CC1)C(CC1CCCCO1)c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule CCCCC(CCC)NS(=O)(=O)c1csc(CO)c1 with a thiol.,CCCCC(CCC)NS(=O)(=O)c1csc(CS)c1
DelComponent,Remove a benzene ring from the molecule CCC(Br)(CC)C(=O)c1ccc(OC)cc1.,CCC(Br)(CC)C(=O)OC
LogP,Modify the molecule Cc1ccccc1-c1ccc(C(=O)NC2(C(=O)[O-])CCCC(OC(=O)C3(NC(=O)c4ccc(-c5ccccc5C)c(-c5ccc(Cl)c(OCCC[NH+](C)C)c5)n4)CCCC(O)C3)C2)nc1-c1ccc(Cl)c(OCCC[NH+](C)C)c1 to have a higher LogP value.,Cc1ccccc1-c1ccc(C(=O)NC2(C(=O)[O-])CCCC(OC(=O)C3(NC(=O)c4ccc(-c5ccccc5C)c(-c5ccc(Cl)c(OCCC[NH+](C)C)c5)n4)CCCCC3)C2)nc1-c1ccc(Cl)c(OCCC[NH+](C)C)c1
MR,Please optimize the molecule C[NH+](C)Cc1ccc(Cn2c(=S)[nH]c3ccccc3c2=O)cc1 to have a lower MR value.,C[NH+](C)CCn1c(=S)[nH]c2ccccc2c1=O
QED,Modify the molecule Cc1cc(Br)ccc1SCC(=O)N1CCCCC1CO to decrease its QED value.,C[SH](Br)CC(=O)N1CCCCC1CO
AtomNum,"The molecule consists of 13 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",N=Cc1cccn2c(=O)c(CCO)c(NCCO)nc12
BondNum,"The molecule has 14 single bonds, 1 double bond, and 1 rotatable bond.",CC1CC(C)CN(C(=O)C2([NH3+])CC2)C1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,Cc1cc(C)cc(-c2cc(C)c3c(C)cc(C)cc3n2)c1
AddComponent,Please add a benzene ring to the molecule O=C(NCCCC1CC1)c1n[nH]c(C2CC2)n1.,O=C(NCCCC1CC1)c1n[nH]c(C2(c3ccccc3)CC2)n1
SubComponent,Please substitute a halo in the molecule CC(C)c1nc(-c2c[nH+]c3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4F)cn23)no1 with a nitro.,CC(C)c1nc(-c2c[nH+]c3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(NO)cc4F)cn23)no1
DelComponent,Please remove a halo from the molecule CCCOc1cccc(NC(=O)c2ccc(Cl)cc2N)c1.,CCCOc1cccc(NC(=O)c2ccccc2N)c1
LogP,Please optimize the molecule Cc1ccc(-c2ccnn2C)cc1NC(=O)N1CCC(C2[NH2+]CC2(C)C)CC1 to have a lower LogP value.,CN(C(=O)N1CCC(C2[NH2+]CC2(C)C)CC1)c1ccnn1C
MR,Modify the molecule CN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc(C#N)c1 to have a higher MR value.,CN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc(C(=O)[OH])c1
QED,Optimize the molecule CCOP(=O)(OCC)C(OC)c1ccccc1Cl to have a lower QED value.,CC(=O)c1ccccc1C(OC)P(=O)(OCC)OCC
AtomNum,"The molecule has 12 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC[NH2+]CCOc1ccccc1CCO
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CC(C)Oc1cccc(C(=O)NCc2cccc(N)c2)c1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 2 amide groups, and 1 halo group.",CCOc1cc(C=NNC(=O)CCC(=O)Nc2ccccc2F)ccc1OC
AddComponent,Modify the molecule CCCc1cccc(C([NH3+])c2cnc3ccccc3n2)c1 by adding a carboxyl.,CCCc1cccc(C([NH3+])c2cnc3cccc(C(=O)O)c3n2)c1
SubComponent,Modify the molecule halo by substituting a CC[NH+]1CCN(c2cccc(C(C)=O)c2Cl)CC1 with a carboxyl.,CC[NH+]1CCN(c2cccc(C(C)=O)c2C(=O)[OH])CC1
DelComponent,Remove a halo from the molecule CCOC(=O)C(CC(C)C)n1ccc(C(F)(F)F)n1.,CCOC(=O)C(CC(C)C)n1ccc(C(F)F)n1
LogP,Modify the molecule CCOC(=O)CCN(C)c1ncncc1Br to decrease its LogP value.,CCOC(=O)CCN(C)c1ncnc(O)c1Br
MR,Modify the molecule c1ccc2cc(C3OCC4(CCCCC4)CO3)ccc2c1 to have a higher MR value.,Oc1cccc2cc(C3OCC4(CCCCC4)CO3)ccc12
QED,Modify the molecule CCCNC(=O)C[NH+]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)CC1 to have a lower QED value.,CCCNC(=O)C[NH+]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)CC1C(=O)O
AtomNum,"The molecule is composed of 18 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",CC(=O)Nc1cccc2c1N(C)N(C(=O)c1cc3ncc(Cl)cn3n1)CC2
BondNum,"There is a molecule composed of 13 single bonds, 2 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",COC(=O)c1cc(CNC(=O)CSc2nccn2-c2cccc(C)c2C)oc1C
FunctionalGroup,There is a molecule with and 1 ester group.,O=C(Oc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)nc1
AddComponent,Add a benzene ring to the molecule CC[NH2+]Cc1csc(Nc2c(Cl)cccc2Cl)n1.,CC[NH2+]Cc1csc(Nc2c(Cl)cc(-c3ccccc3)cc2Cl)n1
SubComponent,Modify the molecule halo by substituting a Cc1csc(NC(=O)c2ccc(Br)cc2Br)n1 with a nitrile.,Cc1csc(NC(=O)c2ccc(C#N)cc2Br)n1
DelComponent,Please remove a benzene ring from the molecule COc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)Nc4ccc(C(N)=O)cc4)nc2-3)cc1.,COc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)NC(N)=O)nc2-3)cc1
LogP,Modify the molecule CCCC(Nc1cc(N)cc(Cl)[nH+]1)c1cccs1 to decrease its LogP value.,CCCC(Nc1cc(N)cc(C(=O)[OH])[nH+]1)c1cccs1
MR,Please optimize the molecule Cn1ccnc1SCC(=O)N(CCC#N)c1cccc(Cl)c1 to have a lower MR value.,Cn1ccnc1[SH](CCC#N)c1cccc(Cl)c1
QED,Modify the molecule Cc1ccc(CC(=O)N2CC[NH+](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])CC2)cc1 to increase its QED value.,Cc1ccc(CC(=O)N2CC[NH+](c3ccc(C)cc3[N+](=O)[O-])CC2)cc1
AtomNum,"The molecule is composed of 20 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCNC(=[NH+]CCS(=O)(=O)NCc1ccccc1)N1CCc2ccccc21
BondNum,"There is a molecule with 15 single bonds, 3 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",COc1ccc(NC(=O)C(NC(=O)CN2CC(=O)Nc3ccccc32)c2ccccc2)cc1
FunctionalGroup,The molecule has and 1 hydroxyl group.,Cc1noc(C)c1-c1cc(C(O)(c2cccnc2)c2ncco2)c2nc(C3CC3)[nH]c2c1
AddComponent,Please add a benzene ring to the molecule NC(=[NH2+])c1ccc(N2CCCCC2)nc1.,NC(=[NH2+])c1ccc(N2CCCCC2)nc1-c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CC1CCC(O)(C2CCc3ccccc3N2)C(C)C1 with a nitrile.,CC1CCC(C#N)(C2CCc3ccccc3N2)C(C)C1
DelComponent,Please remove a CCN(CCC#N)S(=O)(=O)c1cccc(OC(F)(F)F)c1 from the molecule benzene ring.,CCN(CCC#N)S(=O)(=O)OC(F)(F)F
LogP,Optimize the molecule C=C1C(=O)C(=N)C2CCC3C4CCC(=O)C4(C)CCC3C2(C)C1F to have a higher LogP value.,C=C1C(=O)C(=N)C2CC(c3ccccc3)C3C4CCC(=O)C4(C)CCC3C2(C)C1F
MR,Modify the molecule O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1Sc1ccc(Br)cn1 to increase its MR value.,O=C(Nc1ccc(C(=O)N2CCCC2)c(C(=O)O)c1)c1ccccc1Sc1ccc(Br)cn1
QED,Modify the molecule CC(C)NC(C#N)CC[NH+]1CCC2(CCCCC2)CC1 to have a lower QED value.,CC(C)NC(C#N)CC[NH+]1CCC2(CCCCC2C(=O)O)CC1
AtomNum,"Please generate a molecule consisting 43 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",COc1cc(-c2cccc(CN(c3ccc(Br)cc3)C3CC[NH+](Cc4cccc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)c2)cc(OC)c1OC
BondNum,"The molecule is composed of 23 single bonds, 1 double bond, and 1 rotatable bond.",CC(C)(C)OC(=O)N1CC2CCCC(C1)C2[NH+]1CCCCC1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 halo group.",O=C(CCC1CCCCC1)NCC1CCCC1CCl
AddComponent,Modify the molecule CCOC(C(=O)c1ccc(-c2cc(OC)c(F)c(OC)c2)o1)c1ccc(N2CCOCC2)cc1 by adding a benzene ring.,CCOC(C(=O)c1ccc(-c2cc(OC)c(F)c(OC)c2)o1)c1ccc(N2CCOCC2)cc1-c1ccccc1
SubComponent,Please substitute a nitrile in the molecule N#CC(=Cc1ccc(OCC(N)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 with a aldehyde.,CC(=O)C(=Cc1ccc(OCC(N)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1
DelComponent,Remove a amide from the molecule CC(C)(C)c1cc(NC(=O)CSCc2ccc(Cl)cc2)n(-c2ncccn2)n1.,CC(C)(C)c1cc(SCc2ccc(Cl)cc2)n(-c2ncccn2)n1
LogP,Please modify the molecule Nc1cccc(OCCNS(=O)(=O)c2cc(Br)sc2Br)c1 to decrease its LogP value.,NOCCNS(=O)(=O)c1cc(Br)sc1Br
MR,Please modify the molecule O=C1COC(Cl)C(Cl)O1 to increase its MR value.,O=C1COC(S)C(Cl)O1
QED,Optimize the molecule Fc1ccc(Br)c(C(Br)c2ccc(Br)c3ccccc23)c1 to have a lower QED value.,ONc1ccc(Br)c(C(Br)c2ccc(Br)c3ccccc23)c1
AtomNum,"The molecule contains 19 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",CC(=O)NC(C)Cc1ccc(C#Cc2ccc(Cl)cc2)cc1
BondNum,"Please generate a molecule consisting 14 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",COCC1(C(=O)Nc2c(C)cccc2C)CC[NH2+]CC1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 1 amide group, 1 amine group, 2 halo groups, and 1 sulfone group.",COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(F)cc2F)cc1
AddComponent,Modify the molecule C(=NNc1nc2ccccc2[nH]1)C1=Cc2ccccc2OC1 by adding a benzene ring.,C(=NNc1nc2c(-c3ccccc3)cccc2[nH]1)C1=Cc2ccccc2OC1
SubComponent,Substitute a halo in the molecule NNc1cc(Oc2ccc(F)cc2Br)ncn1 with a nitro.,NNc1cc(Oc2ccc(NO)cc2Br)ncn1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(C2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1.,COc1ccc(C2Cn3nc(-c4nc(Cl)no4)cc3CO2)cc1
LogP,Please optimize the molecule COc1cc(-c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)cc(OC)c1OC to have a lower LogP value.,COc1cc(-c2cnc3ccc(-c4nnc(C5CCCC5)s4)nc3c2)cc(OC)c1OC
MR,Please modify the molecule CC[NH2+]C(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1 to decrease its MR value.,CC[NH2+]C(CCl)Cc1cccc(Cl)c1
QED,Modify the molecule Cc1ccc(-n2[nH]c(C(=O)NCC(O)C3CCCC3)cc2=O)cc1 to decrease its QED value.,Cn1[nH]c(C(=O)NCC(O)C2CCCC2)cc1=O
AtomNum,"The molecule contains 17 carbon atoms, 7 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(OC)c(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c1
BondNum,"The molecule consists of 16 single bonds, 1 double bond, and 7 rotatable bonds.",O=C([O-])N1CC[NH+](CCCCCCCBr)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, and 3 amine groups.",CCNC(NCC1(CCO)CCOC1)=[NH+]Cc1cccc(COC)c1
AddComponent,Add a benzene ring to the molecule O=C1C=C([O-])c2ccccc2[N+]1(CCC[NH+]1C2CC3CC(C2)CC1C3)Cc1ccccc1.,O=C1C=C([O-])c2cc(-c3ccccc3)ccc2[N+]1(CCC[NH+]1C2CC3CC(C2)CC1C3)Cc1ccccc1
SubComponent,Please substitute a nitrile in the molecule CCOC(=O)c1cn(CC(C#N)(C#N)CCC(F)(F)F)nc1C(F)(F)F with a halo.,CCOC(=O)c1cn(CC(Br)(C#N)CCC(F)(F)F)nc1C(F)(F)F
DelComponent,Remove a hydroxyl from the molecule COC(CNC(=O)NC(C)(C)CO)OC.,COC(CNC(=O)NC(C)(C)C)OC
LogP,Optimize the molecule Cc1cc(Br)cc2c3n[nH]c(=S)nc3n(Cc3ccccc3)c12 to have a lower LogP value.,Cc1cc(C#N)cc2c3n[nH]c(=S)nc3n(Cc3ccccc3)c12
MR,Please modify the molecule CC1[NH2+]C=C(c2cc(F)cc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)N(N(c2ccccc2)N2CC[NH+](C3COC3)CC2)C1=O to increase its MR value.,CC1[NH2+]C=C(c2cc(F)cc(N3CCn4c(cc5c4CCCC5)C3=O)c2CC(=O)[OH])N(N(c2ccccc2)N2CC[NH+](C3COC3)CC2)C1=O
QED,Modify the molecule Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccccc6)c(SOOO)c5)cc4S(=O)(=O)[O-])c(SOOO)c3)c(SOOO)c2)cc1S(=O)(=O)[O-] to have a higher QED value.,Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccccc6)c(SOOCl)c5)cc4S(=O)(=O)[O-])c(SOOO)c3)c(SOOO)c2)cc1S(=O)(=O)[O-]
AtomNum,"There is a molecule composed of 27 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",CC(=O)Nc1ccc(C(CCCCNC(=O)c2ccc(C)c(C)c2)C(=O)NC(C=O)CC(=O)[O-])cc1
BondNum,"The molecule has 16 single bonds, 1 double bond, and 2 rotatable bonds.",CC1C[NH+](C2CCCCC2C(=O)[O-])CCO1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amine groups, and 1 nitro group.",NC(N)([NH3+])c1ccc([N+](=O)[O-])cc1
AddComponent,Modify the molecule C=CCNC(C#N)c1ccc(Br)s1 by adding a benzene ring.,C=CC(NC(C#N)c1ccc(Br)s1)c1ccccc1
SubComponent,Please substitute a halo in the molecule CC(C)n1nc(Cl)c2cc(COc3ccc4cc(C=O)ccc4c3)ccc21 with a nitrile.,CC(C)n1nc(C#N)c2cc(COc3ccc4cc(C=O)ccc4c3)ccc21
DelComponent,Remove a CCOC(=O)C12CCCC=CCN1C(=O)CCC2 from the molecule amide.,CCOC(=O)C12CCCC=CC1CC2
LogP,Please modify the molecule COc1ccccc1C(O)CN1CCCC([NH+](C)C)C1 to decrease its LogP value.,COc1cc(O)ccc1C(O)CN1CCCC([NH+](C)C)C1
MR,Optimize the molecule CCC(NC(=O)C1Cc2ccccc2S1)c1ccc(C)cc1 to have a higher MR value.,CCC(NC(=O)C1(C(=O)O)Cc2ccccc2S1)c1ccc(C)cc1
QED,Modify the molecule N#CC1CN(c2ccc(Cl)cc2)CC1=O to increase its QED value.,N#CC1CN(c2ccc(Cl)cc2O)CC1=O
AtomNum,"There is a molecule composed of 60 carbon atoms, 22 oxygen atoms, and 11 nitrogen atoms.",CCC(C)C(NC(=O)C(C)[NH3+])C(=O)NC(C(=O)NC(C)C(=O)N(C(=O)COC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1NC(C)=O)C(CCC[NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)[O-])C(C)CC
BondNum,"The molecule contains 9 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",CC(C)(C)n1ncc(CCC(=O)[O-])c1Cl
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 2 halo groups.",CC1CN(C(=O)c2cccc(Br)c2Cl)CC(C)[NH+]1C
AddComponent,Modify the molecule CNc1ccc(C([NH3+])(CCC[NH3+])c2ccc(NC)cc2)cc1 by adding a benzene ring.,CNc1ccc(C([NH3+])(CC(C[NH3+])c2ccccc2)c2ccc(NC)cc2)cc1
SubComponent,Modify the molecule halo by substituting a Cc1nccn1C1=NC([NH2+]C(C)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)=CC(C)CC=C1 with a aldehyde.,CC(=O)C(F)(F)c1cccc(C(=O)Nc2cccc(C(C)[NH2+]C3=CC(C)CC=CC(n4ccnc4C)=N3)c2)c1
DelComponent,Modify the molecule halo by removing a OCC(COc1cccc(O)c1)c1cccc(Cl)c1.,OCC(COc1cccc(O)c1)c1ccccc1
LogP,Modify the molecule [NH3+]CCCCS(=O)(=O)Nc1ccc(F)c(Cl)c1 to have a lower LogP value.,[NH3+]CCCCS(=O)(=O)Nc1cccc(Cl)c1
MR,Please modify the molecule CN1CCN(c2cccc[n+]2O)CC1 to increase its MR value.,CN1CCN(c2cccc[n+]2)CC1
QED,Optimize the molecule Cc1cn2cc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)ccc2[nH+]1 to have a higher QED value.,Cc1cn2cc(NC(=O)CCc3ncc(-c4ccccc4F)o3)ccc2[nH+]1
AtomNum,"Please generate a molecule with 28 carbon atoms, 7 oxygen atoms, and 2 nitrogen atoms.",Cc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NCC4CCCO4)o2)C(=O)CO3)c1
BondNum,"The molecule consists of 21 single bonds, 4 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C1([Se]c2ccccc2)CC(O)C(N=[N+]=[N-])C(NC(=O)OC(C)(C)C)C1
FunctionalGroup,The molecule contains and 2 amine groups.,Cc1nc(NC2CCC(C)CC2C)ccc1N
AddComponent,Please add a benzene ring to the molecule O=C(OCCCc1cccnc1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12.,O=C(OCCCc1cccnc1)c1cc(C2(c3ccccc3)CC2)nc2onc(-c3ccccc3)c12
SubComponent,Please substitute a halo in the molecule CCC(F)=C(C(F)=CC[NH3+])C(F)(F)F with a carboxyl.,CCC(C(=O)[OH])=C(C(F)=CC[NH3+])C(F)(F)F
DelComponent,Modify the molecule CCCCCOc1c2cc(NC(=O)Nc3ccc(C)cc3)cc1Cc1cc(NC(=O)Nc3ccc(C)cc3)cc(c1OCCCCC)Cc1cc(NC(=O)Nc3ccc(C)cc3)cc(c1OCCCCC)Cc1cc(NC(=O)Nc3ccc(C)cc3)cc(c1OCCCCC)C2 by removing a benzene ring.,CCCCCOc1c2cc(NC(=O)NC)cc1Cc1cc(NC(=O)Nc3ccc(C)cc3)cc(c1OCCCCC)Cc1cc(NC(=O)Nc3ccc(C)cc3)cc(c1OCCCCC)Cc1cc(NC(=O)Nc3ccc(C)cc3)cc(c1OCCCCC)C2
LogP,Modify the molecule CCN(CC)c1ccc(C[NH2+]Cc2cccc(C)n2)cc1 to have a higher LogP value.,CCN(CCc1ccccc1)c1ccc(C[NH2+]Cc2cccc(C)n2)cc1
MR,Optimize the molecule CCOC(=O)C[NH+]1CCN(CC2CN(c3ccc(C4=[NH+]OCON4C(=O)c4ccccc4)cc3)C(=O)O2)CC1 to have a lower MR value.,CCOC(=O)C[NH+]1CCN(CC2CN(c3ccc(C4=[NH+]OCON4C=O)cc3)C(=O)O2)CC1
QED,Modify the molecule COCCOCCOCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OCCOCc4ccccc4)cc3)CC2)cc1 to decrease its QED value.,COCCOCCOCCOc1ccc(OC(=O)C2CCC(C(=O)OOCCOCc3ccccc3)CC2)cc1
AtomNum,"The molecule has 10 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COC(=O)C([NH3+])CSCC(=O)Nc1cc(C)no1
BondNum,"The molecule consists of 18 single bonds, 5 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CC(=O)C(N=Nc1ccc(S(=O)(=O)NC2ONC(C)C2C)cc1)C(=O)Nc1ccccc1C
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, 1 halo group, 1 nitrile group, and 1 sulfide group.",N#CC(=CNc1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)cs1
AddComponent,Modify the molecule Cc1cc2ccc(O)cc2c(N)n1 by adding a hydroxyl.,Cc1cc2ccc(O)c(O)c2c(N)n1
SubComponent,Modify the molecule nitro by substituting a O=C([O-])Oc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccc1-c1ccccc1[N+](=O)[O-] with a thiol.,O=[SH]c1ccccc1-c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1OC(=O)[O-]
DelComponent,Remove a CCOc1cc(C(C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1 from the molecule halo.,CCOc1cc(C(C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1
LogP,Please optimize the molecule Cc1ccnc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c1 to have a higher LogP value.,CC(=O)c1ccc(N2CCN(C(=S)Nc3cc(C)ccn3)CC2)cc1
MR,Please optimize the molecule CC(C)(C)NC(=O)c1ccnc(Nc2ccc(F)cc2F)n1 to have a higher MR value.,CC(C)(C)NC(=O)c1ccnc(Nc2ccc(F)cc2)n1
QED,Please modify the molecule CC(C)C(C)Nc1cccc(S(N)(=O)=O)c1N to increase its QED value.,CC(Nc1cccc(S(N)(=O)=O)c1N)C(C)(C)c1ccccc1
AtomNum,"The molecule is composed of 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",CC(CCl)C(=O)N(Cc1ccco1)C1CCCC1
BondNum,"Please generate a molecule composed of 9 single bonds, 4 double bonds, 2 rotatable bonds, and 22 aromatic bonds.",Cc1ccc(-c2[nH]c3c(c2-c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c(=O)n3C)c(C)c1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, and 2 amide groups.",Cc1ccc2c(c1)C(=O)N(CC(C)(C)CCO)C2=O
AddComponent,Modify the molecule O=C(CSc1nnc(CNC(=O)c2ccccc2F)n1-c1ccccc1)Nc1cccc(F)c1 by adding a benzene ring.,O=C(CSc1nnc(CNC(=O)c2ccccc2F)n1-c1cccc(-c2ccccc2)c1)Nc1cccc(F)c1
SubComponent,Substitute a CC[NH2+]C(C)c1ccc(F)cc1OCC(=O)NC(N)=O in the molecule halo with a nitro.,CC[NH2+]C(C)c1ccc(NO)cc1OCC(=O)NC(N)=O
DelComponent,Please remove a halo from the molecule CCc1[nH]c(CSc2cccc(F)c2)nc(=O)c1C.,CCc1[nH]c(CSc2ccccc2)nc(=O)c1C
LogP,Please optimize the molecule CCCCCc1nc2[nH]c(=O)n(CCOC)c(=O)c2n1Cc1ccc(-c2ccccc2-n2cnnn2)cc1 to have a lower LogP value.,CCCCCc1nc2[nH]c(=O)n(CCOC)c(=O)c2n1Cc1ccccc1-n1cnnn1
MR,Modify the molecule c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc(-c4ccc5sc6ccncc6c5c4)cc3)c1-c1ccccc1-2 to increase its MR value.,c1ccc(-c2cccc3c2-c2c(-c4ccc(-c5ccc6sc7ccncc7c6c5)cc4)cccc2-c2ccccc2-c2ccccc2-3)cc1
QED,Modify the molecule CSC1CCC([NH2+]C2CCc3cc(O)ccc32)CC1 to have a lower QED value.,CC(=O)c1ccc2c(c1)CCC2[NH2+]C1CCC(SC)CC1
AtomNum,"The molecule consists of 12 carbon atoms, and 3 oxygen atoms.",COC(=O)C(CC(C)=O)=C1CCCCC1
BondNum,"Please generate a molecule consisting 11 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",C=CCN(CC(=O)[O-])c1nc(C)cc(OC(C)C)n1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, 1 halo group, 1 thioether group, and 1 sulfide group.",CC(NC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CS2)c1ccccc1
AddComponent,Please add a hydroxyl to the molecule O=CCCC1C2C=CC(C2)C1CC=O.,O=CCCC1C2C=CC(C2O)C1CC=O
SubComponent,Please substitute a CC(C(=O)NC1CCC(CO)CC1)C1CC1 in the molecule hydroxyl with a carboxyl.,CC(C(=O)NC1CCC(CC(=O)[OH])CC1)C1CC1
DelComponent,Modify the molecule O=C(NCCc1ccc2ccccc2c1)NCC(O)c1ccco1 by removing a hydroxyl.,O=C(NCCc1ccc2ccccc2c1)NCCc1ccco1
LogP,Modify the molecule Cc1cccc(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c1 to have a lower LogP value.,CC1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
MR,Please modify the molecule COc1cc2oc(C)c(C)c2cc1C(C)=CC(=O)Nc1ccc(OC(F)(F)F)cc1 to decrease its MR value.,COc1cc2oc(C)c(C)c2cc1C(C)=CC(=O)Nc1ccc(OC(F)F)cc1
QED,Please modify the molecule CC(=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)O to decrease its QED value.,CC(=Cc1ccc(Cl)c([N+](=O)[O-])c1O)C(C)O
AtomNum,"The molecule has 27 carbon atoms, 3 oxygen atoms, 7 nitrogen atoms, 1 sulfur atom, 2 fluorine atoms, and 1 chlorine atom.",Cc1cc(OCn2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(-c5cnn(C)c5C)c34)n2)cc(C)c1Cl
BondNum,"There is a molecule with 2 single bonds, and 10 aromatic bonds.",Clc1ccn2c(Cl)c[nH+]c2c1
FunctionalGroup,Please generate a molecule with and 1 sulfone group.,CC(C)n1ccc(CS(=O)(=O)c2nccn2C(C)C)n1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(C[NH+]2C3CCC2c2cnc(N4CCCC4)nc2C3)c(F)c1.,COc1cc(O)c(C[NH+]2C3CCC2c2cnc(N4CCCC4)nc2C3)c(F)c1
SubComponent,Modify the molecule CN(Cc1nc2ccccc2s1)C(=O)COc1ccc(F)c(Cl)c1 by substituting a halo with a nitro.,CN(Cc1nc2ccccc2s1)C(=O)COc1ccc(NO)c(Cl)c1
DelComponent,Modify the molecule benzene ring by removing a [NH3+]CCC1CN(Cc2ccc(O)cc2)C(=O)CO1.,[NH3+]CCC1CN(CO)C(=O)CO1
LogP,Modify the molecule Cc1[nH+]c2onc(C(C)C)c2c(N)c1C#N to increase its LogP value.,CC(=O)c1c(C)[nH+]c2onc(C(C)C)c2c1N
MR,Modify the molecule Cc1cnc(N)c(C(=O)C2CNc3ccccc32)c1 to increase its MR value.,Cc1cnc(N)c(C(=O)C2CNc3ccccc32)c1-c1ccccc1
QED,Modify the molecule O=C([O-])C1CC(C(c2ccccc2)c2ccccc2)=NO1 to have a lower QED value.,O=C([O-])C1CC(Cc2ccccc2)=NO1
AtomNum,"Please generate a molecule with 30 carbon atoms, 9 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COC(=O)c1c(C(=O)OC)c(-c2ccc(OC)c(OC)c2)c2c(c1O)c1ccccc1n2S(=O)(=O)c1ccccc1
BondNum,"Please generate a molecule composed of 17 single bonds, and 10 rotatable bonds.",CC(COCC(C)(C)CO)COCC(C)(C)CO
FunctionalGroup,The molecule has and 1 amine group.,CCc1c(C(C)C(C)C)nn(C)c1N
AddComponent,Please add a amine to the molecule COCCCNC(=O)c1ccc(Nc2cc(C)on2)nn1.,COCCCNC(=O)c1cc(N)c(Nc2cc(C)on2)nn1
SubComponent,Please substitute a halo in the molecule CC(=O)N1CCC(CCn2c(Sc3nc4c(Cl)cccc4s3)nc3c(N)ncnc32)CC1 with a thiol.,CC(=O)N1CCC(CCn2c(Sc3nc4c(S)cccc4s3)nc3c(N)ncnc32)CC1
DelComponent,Please remove a amide from the molecule CC1(C)C2CCC1(CS(=O)(=O)N1CCC([NH+]3CCCC3C(N)=O)CC1)C(=O)C2.,CC1(C)C2CCC1(CS(=O)(=O)N1CCC([NH+]3CCC3)CC1)C(=O)C2
LogP,Please optimize the molecule CC(CCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1)[NH2+]CCO to have a lower LogP value.,CC(CCCOc1ccc2c(Br)nsc2c1)[NH2+]CCO
MR,Modify the molecule O=c1[nH]c(Nc2ccc3c(c2)CCC3)nc([O-])c1Cc1ccccc1 to have a lower MR value.,Cc1c([O-])nc(Nc2ccc3c(c2)CCC3)[nH]c1=O
QED,Please optimize the molecule COC(=O)CCCc1c[nH]c2cc(Cl)c(Cl)cc12 to have a lower QED value.,COC(=O)CCCc1c[nH]c2cc(Cl)c(Cl)c(C(=O)O)c12
AtomNum,"Please generate a molecule with 16 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1
BondNum,"The molecule consists of 6 single bonds, 2 double bonds, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",CC(=O)c1c(I)ccc([N+](=O)[O-])c1C#N
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",O=C(CC[NH2+]C1CC1)Nc1ccc(-c2cnco2)cc1
AddComponent,Add a benzene ring to the molecule Cc1ccc2c(c1C)C(=O)c1ccccc1C2.,Cc1ccc2c(c1C)C(=O)c1cc(-c3ccccc3)ccc1C2
SubComponent,Substitute a Cc1cc2ccccc2c(-c2ccc(F)cc2)c1C=C(Br)Br in the molecule halo with a nitrile.,Cc1cc2ccccc2c(-c2ccc(C#N)cc2)c1C=C(Br)Br
DelComponent,Please remove a CC1(C)CCCN(S(=O)(=O)c2ccc(CCO)s2)C1 from the molecule hydroxyl.,CCc1ccc(S(=O)(=O)N2CCCC(C)(C)C2)s1
LogP,Modify the molecule Cc1c(CC(=O)Nc2cccc(O)c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 to decrease its LogP value.,Cc1c(CC(=O)Nc2cccc(C(=O)[OH])c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4
MR,Modify the molecule CCCCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCN(C(C)=O)CC1)CC3=O to have a higher MR value.,CCCCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCN(C(C)=O)C(c2ccccc2)C1)CC3=O
QED,Please modify the molecule CCOc1cccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3C)C2c2c(C)[nH]c3ccccc23)c1 to decrease its QED value.,CC(=O)C1=C(c2cccc(OCC)c2)C(c2c(C)[nH]c3ccccc23)N(c2ccc(Cl)cc2C)C1=O
AtomNum,"The molecule has 80 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)c6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1
BondNum,"Please generate a molecule with 11 single bonds, 2 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",Nc1ccc(C2([NH+]3C=CSC3)OC(=O)c3ccccc32)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amine group.",Cn1ncc(-c2ccnc(Nc3ccc(P(C)(C)=O)cc3)n2)c1N1CCOCC1
AddComponent,Modify the molecule O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cnc(-c2ccncc2)s1 by adding a benzene ring.,O=C(Nc1ccc(OCC2CCOCC2)cc1-c1ccccc1)c1cnc(-c2ccncc2)s1
SubComponent,Modify the molecule hydroxyl by substituting a Oc1cc(O)n(-c2cccc(-n3c(O)cc(O)c3O)c2)c1O with a carboxyl.,O=C([OH])c1cc(O)n(-c2cccc(-n3c(O)cc(O)c3O)c2)c1O
DelComponent,Please remove a Cc1cccc(NC(=O)CC[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1 from the molecule benzene ring.,Cc1cccc(NC(=O)CC[NH2+]CCS(N)(=O)=O)c1
LogP,Modify the molecule Cc1cccc(COc2ccc(C=NNC(=O)c3cccnc3Cl)cc2Br)c1 to decrease its LogP value.,Cc1cccc(COc2ccc(C=NNC(=O)c3cccnc3C(=O)[OH])cc2Br)c1
MR,Please optimize the molecule O=C(NCC1CC(=O)N(Cc2ccccc2)C1)NC(c1ccccc1)c1ccccc1 to have a lower MR value.,O=C(NCc1ccccc1)NCC1CC(=O)N(Cc2ccccc2)C1
QED,Modify the molecule CC(C)N(CC1CC1)CC([NH3+])C12CC3CC(CC(C3)C1)C2 to decrease its QED value.,CC(C)N(CC1CC1)CC([NH3+])C12CC3CC(C1)C(N)C(C3)C2
AtomNum,"The molecule has 10 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 chlorine atoms.",CCC(O)(CC)CNc1nc(Cl)ncc1Cl
BondNum,"Please generate a molecule with 22 single bonds, and 11 rotatable bonds.",CCO[Si](CCCCC1CCC2OC2C1)(OCC)OCC
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 3 halo groups.",CC(C)(C(=O)Cl)c1ccc(Cl)cc1Cl
AddComponent,Please add a amine to the molecule CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1OC.,CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(N)c1OC
SubComponent,Substitute a halo in the molecule O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1 with a aldehyde.,CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c(C(=O)c2ccccc2)c1
DelComponent,Remove a CS(=O)(=O)OCC1CCCP1c1ccccc1 from the molecule benzene ring.,CS(=O)(=O)OCC1CCCP1
LogP,Modify the molecule CC(C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 to decrease its LogP value.,CC(C(=O)NCCc1ccc(O)cc1)[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
MR,Modify the molecule COc1ccc2nc(NC(=O)C(C)OC(=O)c3c(-c4ccccc4)c4ccccc4c(=O)n3C)sc2c1 to have a lower MR value.,COc1ccc2nc(NC(=O)C(C)OC(=O)c3cc4ccccc4c(=O)n3C)sc2c1
QED,Please modify the molecule OC(c1ccccn1)c1cnccc1C(F)(F)F to decrease its QED value.,FC(F)(F)c1ccncc1Cc1ccccn1
AtomNum,"The molecule is composed of 11 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=S1(=O)CCCCC1c1nc(C2CC[NH2+]C2)no1
BondNum,"Please generate a molecule consisting 3 single bonds, 2 double bonds, 1 rotatable bond, and 11 aromatic bonds.",O=C([O-])c1cc(=O)oc2c(O)cccc12
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amine group, and 1 nitrile group.",N#Cc1ccc(Cn2nnc(-c3ccc(N)cc3)n2)cc1
AddComponent,Please add a hydroxyl to the molecule COC(C)(C)c1noc(C2COCCC2[NH3+])n1.,COC(C)(C)c1noc(C2COC(O)CC2[NH3+])n1
SubComponent,Modify the molecule CCOC(=O)C(C)(C)C(O)CCCN(c1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1C)S(C)(=O)=O by substituting a hydroxyl with a halo.,CCOC(=O)C(C)(C)C(F)CCCN(c1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1C)S(C)(=O)=O
DelComponent,Please remove a benzene ring from the molecule COc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)cc1.,CONS(=O)(=O)c1ccc(CBr)cc1
LogP,Modify the molecule O=C(NCCOc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 to decrease its LogP value.,ONc1ccc(OCCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1
MR,Please optimize the molecule O=C(c1cc2ccccc2s1)N1CCN(c2c(O)c[nH+]c3[nH]ccc23)CC12CC2 to have a higher MR value.,O=CCC1CN(C(=O)c2cc3ccccc3s2)C2(CC2)CN1c1c(O)c[nH+]c2[nH]ccc12
QED,Modify the molecule O=[N+]([O-])c1c(Cl)cccc1N1CCC([NH+]2CCOCC2)C1 to increase its QED value.,O=[SH]c1c(Cl)cccc1N1CCC([NH+]2CCOCC2)C1
AtomNum,"The molecule contains 20 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",C[N+]1(c2ccn3nc(-c4ccccc4)nc3c2)C=C(C(=O)N2CCC2)C=N1
BondNum,"There is a molecule composed of 7 single bonds, 3 double bonds, 1 rotatable bond, and 12 aromatic bonds.",C1=CC2=Cc3c(-c4ccccc4)cccc3C2C=C1
FunctionalGroup,"The molecule contains 1 ester group, and 1 halo group.",CCOC(=O)c1cc2cnc(Cl)nc2[nH]1
AddComponent,Please add a hydroxyl to the molecule C=CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)C2c1cccc(OC(C)=O)c1.,C=CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(O)ccc1N(C(C)=O)C2c1cccc(OC(C)=O)c1
SubComponent,Substitute a COc1cc(N2CCC(O)(c3cccnc3)CC2)ncn1 in the molecule hydroxyl with a halo.,COc1cc(N2CCC(Cl)(c3cccnc3)CC2)ncn1
DelComponent,Please remove a CC[NH+]1CCC=C(CCC(C)O)C1 from the molecule hydroxyl.,CCCCC1=CCC[NH+](CC)C1
LogP,Please optimize the molecule CCCC1(OC(C)=O)OCCc2c1[nH]c1c(C(C)C)ccc(C#N)c21 to have a higher LogP value.,CCCC1(OC(C)=O)OCCc2c1[nH]c1c(C(C)C)cccc21
MR,Modify the molecule Nc1ccc(Oc2ccc3c(c2)CCC3)c(Cl)c1 to have a higher MR value.,Nc1ccc(Oc2ccc3c(c2)CCC3c2ccccc2)c(Cl)c1
QED,Modify the molecule Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc(O)c2)C3=O)cc1 to decrease its QED value.,Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc(O)c2)C3=O)cc1N
AtomNum,There is a molecule with 14 carbon atoms.,CCC1(CC)C=CC(CC)(CC)C=C1
BondNum,"The molecule consists of 14 single bonds, 2 double bonds, 6 rotatable bonds, and 5 aromatic bonds.",Cc1cc(NC(=O)C[NH+](C)CC(=O)NC2CC2)n(C)n1
FunctionalGroup,"The molecule has 1 ester group, 1 amine group, 1 thioether group, and 2 sulfide groups.",CCOC(=O)c1c(CSc2nnc(NCc3ccco3)s2)oc2ccccc12
AddComponent,Add a thiol to the molecule c1ccc(-c2cncc(C[NH2+]CCOc3cccs3)c2)cc1.,SC(COc1cccs1)[NH2+]Cc1cncc(-c2ccccc2)c1
SubComponent,Substitute a halo in the molecule CC[NH+]1CC(C)(C)OC2(CC[NH+](CCc3ncccc3F)CC2)C1 with a thiol.,CC[NH+]1CC(C)(C)OC2(CC[NH+](CCc3ncccc3S)CC2)C1
DelComponent,Please remove a hydroxyl from the molecule CCCCC(CC)C(O)Cc1ccn(C2CCCC2)n1.,CCCCC(CC)CCc1ccn(C2CCCC2)n1
LogP,Optimize the molecule CC(=O)c1ccc(Oc2ccc(Br)c(F)c2)cc1 to have a lower LogP value.,CC(=O)c1ccc(Oc2ccc(NO)c(F)c2)cc1
MR,Modify the molecule CC(C)[NH2+]C(CSc1ccccc1Cl)(C(=O)[O-])C1CC1 to decrease its MR value.,CC(C)[NH2+]C(CSc1ccccc1C#N)(C(=O)[O-])C1CC1
QED,Modify the molecule CONC(=O)c1ccc(F)cn1 to have a lower QED value.,CONC(=O)c1ccc(NO)cn1
AtomNum,"The molecule has 10 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCC(C)NC(=O)c1n[nH]c(C)c1C
BondNum,"There is a molecule with 6 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",Cc1csc(CC(C)(C)O)n1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, and 1 sulfide group.",CCC1CCCC(O)(Cc2nc(C)cs2)C1
AddComponent,Add a benzene ring to the molecule Cn1nccc(OCC(=O)N2CCC(Oc3ccccc3OC(F)(F)I)CC2)c1=O.,Cn1nccc(OCC(=O)N2CCC(Oc3ccccc3OC(F)(F)I)C(c3ccccc3)C2)c1=O
SubComponent,Please substitute a C=C(C)C(=O)OCCC(=C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1F in the molecule halo with a thiol.,C=C(C)C(=O)OCCC(=C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1S
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(CCNC(=O)C(C)N2C(=O)CC(C)(C)Sc3ccccc32)cc1.,CCCNC(=O)C(C)N1C(=O)CC(C)(C)Sc2ccccc21
LogP,Please optimize the molecule CCCC(OC(=O)c1cc(N)cc(Br)c1)C(=O)[O-] to have a higher LogP value.,CCCC(OC(=O)c1cccc(Br)c1)C(=O)[O-]
MR,Please modify the molecule CCCN(CC(=O)N(C)C)c1ccc(CO)c(Cl)c1 to increase its MR value.,CCCN(CC(=O)N(C)CC(=O)O)c1ccc(CO)c(Cl)c1
QED,Modify the molecule C[NH+](C)CC1CC(O)CN1Cc1nc2c(N)cccc2o1 to have a higher QED value.,C[NH+](C)CC1CC(O)CN1Cc1nc2ccccc2o1
AtomNum,"Please generate a molecule consisting 7 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",NS(=O)(=O)CCN1CC2CC1CO2
BondNum,"The molecule has 6 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",Nc1ccc(Br)cc1CCCc1ccccc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 nitrile group.",N#Cc1ccc(-n2c3ccccc3c3cccnc32)cc1
AddComponent,Add a amine to the molecule Cc1noc(-c2ccn3c(CNS(C)(=O)=O)nnc3c2)n1.,Cc1noc(-c2ccn3c(CNS(=O)(=O)CN)nnc3c2)n1
SubComponent,Substitute a Cc1cnc2c(c1)nc(CCCl)n2CCNC(=O)C1CC1 in the molecule halo with a carboxyl.,Cc1cnc2c(c1)nc(CCC(=O)[OH])n2CCNC(=O)C1CC1
DelComponent,Please remove a Cn1cnc(C(O)c2cccc3ccsc23)c1 from the molecule hydroxyl.,Cn1cnc(Cc2cccc3ccsc23)c1
LogP,Please modify the molecule CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+] to decrease its LogP value.,CCCCCCCCCCCCCCC(CCC(=O)OC(COC(=O)CCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+])C(=O)O
MR,Please optimize the molecule CN(c1ccc(C(=O)[O-])cc1)c1ncnc2sccc12 to have a lower MR value.,CN(C(=O)[O-])c1ncnc2sccc12
QED,Optimize the molecule O=C(Nc1ccc(Nc2ccccc2Cl)cn1)C1CCC1 to have a lower QED value.,O=C(Nc1ccc(Nc2ccccc2O)cn1)C1CCC1
AtomNum,"The molecule contains 19 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCC(C)c1ccc(OC(c2ccccc2)C(C)[NH3+])cc1
BondNum,"There is a molecule composed of 26 single bonds, 3 double bonds, 15 rotatable bonds, and 23 aromatic bonds.",CC(C)C(C(=O)OC(C)(C)C)N(Cc1ccc(-c2ccccc2-c2nnn(C(C)(C)c3ccccc3)n2)cc1)C(=O)CCCCO[N+](=O)[O-]
FunctionalGroup,The molecule consists of and 1 sulfide group.,c1ccc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)cncc5[nH]4)c3n2)nc1
AddComponent,Modify the molecule CCOc1cc(C=C2SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 by adding a hydroxyl.,CCOc1cc(C=C2SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(O)c(Br)c1OCc1ccc(Cl)c(Cl)c1
SubComponent,Modify the molecule COC(=O)C1CCC(O)(c2cc(-c3ccc(C)cc3)n(-c3ccc(CO)cc3)n2)CC1 by substituting a hydroxyl with a carboxyl.,COC(=O)C1CCC(C(=O)[OH])(c2cc(-c3ccc(C)cc3)n(-c3ccc(CO)cc3)n2)CC1
DelComponent,Remove a halo from the molecule CCC(C#N)c1c(O)ccc(Cl)c1C.,CCC(C#N)c1c(C)cccc1O
LogP,Please optimize the molecule CSCc1cccc2c(C(CCCS(=O)(=O)[O-])c3c(F)cc(Cl)cc3F)c[nH]c12 to have a lower LogP value.,CSCc1cccc2c(C(CCCS(=O)(=O)[O-])c3c(F)cc(Cl)c(C(=O)O)c3F)c[nH]c12
MR,Modify the molecule CC(C)Oc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCC(O)C(C)CO)ccc1C3=O to have a higher MR value.,CC(C)Oc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCC(C#N)C(C)CO)ccc1C3=O
QED,Please optimize the molecule CC1(CO)CC(C(C)(C)C)C[NH2+]1 to have a lower QED value.,CC1(C)CC(C(C)(C)C)C[NH2+]1
AtomNum,"The molecule contains 22 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",COc1ccc(Cl)cc1S(=O)(=O)NC1CCN(C(=O)C=Cc2ccc(C)cc2)CC1
BondNum,"The molecule contains 31 single bonds, 5 double bonds, 13 rotatable bonds, and 18 aromatic bonds.",Cc1c(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NCC(C)C)c3)CC2)C(C)C)cccc1C(=O)Nc1ccc(F)cc1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,COc1ccc(-c2ccc3nc4c(n3c2)C(c2ccccc2)[NH2+]CC4)cn1
AddComponent,Modify the molecule O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)Nc1ccc(F)cc1 by adding a hydroxyl.,O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)Nc1ccc(F)cc1O
SubComponent,Please substitute a hydroxyl in the molecule CCOc1ccc(-n2c(C)cc(C=NNC(=O)c3ccccc3O)c2C)cc1 with a carboxyl.,CCOc1ccc(-n2c(C)cc(C=NNC(=O)c3ccccc3C(=O)[OH])c2C)cc1
DelComponent,Modify the molecule benzene ring by removing a C[NH2+]CCCC(C)n1cc(-c2ccccc2)cn1.,C[NH2+]CCCC(C)n1cccn1
LogP,Optimize the molecule CCNC(NC1CCN(c2cc(OC)cc(OC)c2)C1)=[NH+]CCc1ccncc1C to have a higher LogP value.,CCNC(=[NH+]CCc1ccncc1C)C1CCN(c2cc(OC)cc(OC)c2)C1
MR,Modify the molecule CCCNC(=O)NC1CCCc2c1cnn2-c1cccc(C)c1C to have a lower MR value.,CCCNC(=O)NC1CCCc2c1cnn2CC
QED,Modify the molecule COc1cc(O)c2c(c1C(=O)NCc1ccccc1C)OC1=CC([O-])=C(C(C)=O)C(=O)C12C to have a lower QED value.,COc1cc(I)c2c(c1C(=O)NCc1ccccc1C)OC1=CC([O-])=C(C(C)=O)C(=O)C12C
AtomNum,"Please generate a molecule composed of 30 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",CCCCCCCCCCCc1nc(-c2ccc(C[NH+](CC(=O)[O-])Cc3ccc(C(F)(F)F)cc3)cc2)no1
BondNum,"The molecule is composed of 1 single bond, 1 rotatable bond, and 40 aromatic bonds.",c1cncc(-n2c3ccccc3c3c4[nH]c5ccc6ccccc6c5c4c4ccccc4c32)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 2 halo groups.",CN(C)c1cccc(C(=O)NN=Cc2cc(Br)c(I)o2)c1
AddComponent,Add a carboxyl to the molecule CN(C)C=S1CC=CN2C(=O)CC21.,CN(C)C=S1CC(C(=O)O)=CN2C(=O)CC21
SubComponent,Substitute a halo in the molecule O=C([O-])c1cc(F)c2cn[nH]c2c1 with a carboxyl.,O=C([O-])c1cc(C(=O)[OH])c2cn[nH]c2c1
DelComponent,Modify the molecule benzene ring by removing a CC[NH2+]Cc1nnc(C(C)(C)c2ccccc2)o1.,CC[NH2+]Cc1nnc(C(C)C)o1
LogP,Modify the molecule Fc1ccc(C[NH2+]CCN2CCCC2)c(C(F)(F)F)c1 to have a lower LogP value.,Oc1ccc(C[NH2+]CCN2CCCC2)c(C(F)(F)F)c1
MR,Optimize the molecule CC(C1CCCC1PC1CCCCC1)[NH+](C)C to have a higher MR value.,CC(C1CC(CC=O)CC1PC1CCCCC1)[NH+](C)C
QED,Please modify the molecule CCC1(C(=O)[O-])CCN(C(=O)C2(C)CCCC2[NH3+])CC1 to decrease its QED value.,CCC1(C(=O)[O-])CCN(C(=O)C2(C)CC(O)CC2[NH3+])CC1
AtomNum,"There is a molecule with 19 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",NC(=O)C1CCCCN1C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
BondNum,"Please generate a molecule consisting 16 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",COc1ccc(-c2nc(C)c(C(=O)N3CCN(C(=O)c4ccccc4)CC3)s2)cc1OC
FunctionalGroup,The molecule has and 1 amide group.,Cc1nccn1CC(C)CNC(=O)c1ccn(C2CCC[NH2+]C2)n1
AddComponent,Please add a benzene ring to the molecule CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2)cc1.,CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc(-c3ccccc3)c2)cc1
SubComponent,Please substitute a halo in the molecule CCC1=CC2C[NH+](CCc3c([nH]c4ccccc34)C(I)(OC)C2)C1 with a nitrile.,CCC1=CC2C[NH+](CCc3c([nH]c4ccccc34)C(C#N)(OC)C2)C1
DelComponent,Remove a hydroxyl from the molecule CC(C)(C)OC(=O)C[NH+](CCCO)CC1(SSC2(C[NH+](CCCO)CC(=O)OC(C)(C)C)CCCCC2)CCCCC1.,CCC[NH+](CC(=O)OC(C)(C)C)CC1(SSC2(C[NH+](CCCO)CC(=O)OC(C)(C)C)CCCCC2)CCCCC1
LogP,Modify the molecule C[NH2+]CC(C)(O)c1c(OC)cccc1OC to decrease its LogP value.,C[NH2+]CC(C)(NO)c1c(OC)cccc1OC
MR,Please modify the molecule CC(C)CN1CC[NH2+]CC1c1ccncc1 to increase its MR value.,CC(C)CN1CC[NH2+]CC1c1ccncc1-c1ccccc1
QED,Optimize the molecule CCc1nc(Cl)cc(Nc2nnc(CN3C(=O)c4ccccc4C3=O)s2)n1 to have a lower QED value.,CCc1nc(Cl)cc(Nc2nnc(CN3C(=O)c4cccc(CC=O)c4C3=O)s2)n1
AtomNum,"Please generate a molecule with 11 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",O=Cc1ccc(N2CC=C(C(F)(F)F)CC2)o1
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 1 triple bond, 3 rotatable bonds, and 11 aromatic bonds.",N#CN(C(=O)C1CC[NH2+]C1)c1ncc(-c2cccc3c2NC(=O)C3)s1
FunctionalGroup,"The molecule has 1 benzene ring group, 3 amide groups, and 2 halo groups.",Cc1ccc(NC(=O)C2CCN(C(=O)CCNC(=O)c3cc(F)ccc3Br)CC2)nc1
AddComponent,Modify the molecule CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCc2cccc(C(=O)OC)c2)c1 by adding a hydroxyl.,CCN(CCO)S(=O)(=O)c1ccc(C)c(C(=O)OCc2cccc(C(=O)OC)c2)c1
SubComponent,Please substitute a halo in the molecule O=C([O-])CNC(=O)c1c([O-])c2cccc3c2n(c1=O)C(c1ccc(C(F)(F)F)cc1)CN3 with a hydroxyl.,O=C([O-])CNC(=O)c1c([O-])c2cccc3c2n(c1=O)C(c1ccc(C(O)(F)F)cc1)CN3
DelComponent,Modify the molecule halo by removing a CC(=CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC1.,CC(=CNC(=O)N1CCN(c2ccccc2)CC1)C1CC1
LogP,Please optimize the molecule CN1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3CC(=O)[O-])c2)CC1 to have a lower LogP value.,CN1CC[NH+](Cc2cc(CC=O)cc(C(=O)Nc3ccccc3CC(=O)[O-])c2)CC1
MR,Please optimize the molecule O=C1C(=O)N(c2ccc(N3CCCCC3)cc2)C(c2ccccc2)C1=C([O-])c1ccc(Br)cc1 to have a lower MR value.,ONc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N4CCCCC4)cc3)C2c2ccccc2)cc1
QED,Please optimize the molecule C=C(C=CC(C#N)=CC)C(Nc1cccc(Cl)c1F)c1c(C(=O)[O-])nc(Br)n1C(C)C to have a lower QED value.,C=C(C=CC(=CC)NO)C(Nc1cccc(Cl)c1F)c1c(C(=O)[O-])nc(Br)n1C(C)C
AtomNum,"The molecule has 22 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(=O)NC1CC(Cc2ccccc2)OC(c2nc(C)n3ccccc23)C1
BondNum,"Please generate a molecule composed of 6 single bonds, 1 double bond, 1 rotatable bond, and 5 aromatic bonds.",CC(C)(C)c1cnc(C(N)=O)s1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, 1 halo group, 1 thioether group, 1 sulfide group, and 1 sulfone group.",Cc1nc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)n(C2CCCCC2)c1C
AddComponent,Please add a benzene ring to the molecule CCCCCCCCC(CCCCCC)NC(=O)c1cc(C(=O)NC(CCCCCC)CCCCCCCC)cc(C(=O)NC(CCCCCC)CCCCCCCC)c1.,CCCCCCCCC(CCCCCC)NC(=O)c1cc(C(=O)NC(CCCCCC)CCCCCCCC)cc(C(=O)NC(CCCCCCCC)C(CCCCC)c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a CCOc1ccc(NC(=O)Oc2ccc(Cl)c(C)c2)cc1OCC with a thiol.,CCOc1ccc(NC(=O)Oc2ccc(S)c(C)c2)cc1OCC
DelComponent,Please remove a halo from the molecule COc1cccc(-c2c(C)c(Cc3c(F)cccc3F)c3n(c2=O)C(C[NH2+]C2CC2)C(C)(C)S3)c1F.,COc1cccc(-c2c(C)c(Cc3ccccc3F)c3n(c2=O)C(C[NH2+]C2CC2)C(C)(C)S3)c1F
LogP,Modify the molecule CCOc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)C2c2ccc(Br)cc2)cc1OC to decrease its LogP value.,CCOc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)C2c2ccccc2)cc1OC
MR,Optimize the molecule CCCCC(=O)Nc1ccc(NC(=O)CSc2ccncc2)cc1Cl to have a lower MR value.,CCCCC(=O)NN(Cl)C(=O)CSc1ccncc1
QED,Optimize the molecule Cc1cc(N)ccc1SCC(=O)OC(C)C to have a higher QED value.,Cc1ccccc1SCC(=O)OC(C)C
AtomNum,"There is a molecule consisting of 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1nc(-c2ccc(OCC(O)C[NH+]3CCOCC3)cc2)cs1
BondNum,"Please generate a molecule composed of 32 single bonds, 5 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",Cc1cc(F)ccc1NC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(Cl)cc3C(=O)N(C)C)CC2)c(C)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",CCC[NH+]1CCC(N2CC([NH2+]Cc3cccc(C)c3)CC2C(=O)NCC)CC1
AddComponent,Please add a hydroxyl to the molecule CCCc1cc(N2CCCC2C)nc(Nc2ccc(N)c([N+](=O)[O-])c2)n1.,CCCc1cc(N2CCCC2CO)nc(Nc2ccc(N)c([N+](=O)[O-])c2)n1
SubComponent,Please substitute a halo in the molecule Fc1ccccc1N1CC[NH+](Cc2cc(Cl)cc3c2OCOC3)CC1 with a thiol.,Sc1ccccc1N1CC[NH+](Cc2cc(Cl)cc3c2OCOC3)CC1
DelComponent,Remove a CC(=O)NC1C(OCc2ccccc2)OC(COCc2ccccc2)C(OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C1OC1OC(CO)C2OC(C)(C)OC2C1O from the molecule amide.,CC1OC(OC2C(COCc3ccccc3)OC(OCc3ccccc3)CC2OC2OC(CO)C3OC(C)(C)OC3C2O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
LogP,Optimize the molecule O=C([O-])C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)c1ccccc1F to have a lower LogP value.,N#Cc1ccc(C2SCC(C(=O)[O-])N2C(=O)c2ccccc2F)cc1Cl
MR,Optimize the molecule CCOc1ccc(C2C(C(=O)OC)=CN=c3sc(=Cc4cc(I)c(OCc5ccccc5Cl)c(I)c4)c(=O)n32)cc1OCC to have a lower MR value.,CCOc1ccc(C2C(C(=O)OC)=CN=c3sc(=Cc4cc(I)c(OCc5ccccc5)c(I)c4)c(=O)n32)cc1OCC
QED,Please optimize the molecule O=C([O-])C(Cc1ccc(Cl)cc1[N+](=O)[O-])=NO to have a lower QED value.,O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NO
AtomNum,"There is a molecule consisting of 18 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(C(N)=O)S(=O)CC(=O)N(Cc1ccccc1)c1ccccc1
BondNum,"The molecule consists of 17 single bonds, and 8 rotatable bonds.",CCCC[NH+](CC)C1CCC(CO)([NH2+]CC)C1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",CCN(C(=O)c1ccc(C)cc1)C1CCC([NH3+])CC1
AddComponent,Please add a benzene ring to the molecule Cc1cc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)n(-c2ncc(Cl)cc2Cl)n1.,Cc1cc(NC(=O)c2sc(-c3ccc(F)c(-c4ccccc4)c3)nc2C)n(-c2ncc(Cl)cc2Cl)n1
SubComponent,Please substitute a hydroxyl in the molecule NC(=[NH+]O)c1ccc(C[NH2+]Cc2ccoc2)cc1 with a nitrile.,N#C[NH+]=C(N)c1ccc(C[NH2+]Cc2ccoc2)cc1
DelComponent,Remove a CC(C(N)=S)S(=O)(=O)N1CCCC1C1CCCC1 from the molecule amine.,CC(C=S)S(=O)(=O)N1CCCC1C1CCCC1
LogP,Please optimize the molecule COC(=O)c1ccc(NC(=O)c2ccc(CNC(=O)C3CCCCC3)cc2)cc1 to have a lower LogP value.,COC(=O)c1ccc(NC(=O)c2ccc(CNC(=O)C3CCCCC3N)cc2)cc1
MR,Please optimize the molecule C=CCNS(=O)(=O)c1ccc(CC)c(N)c1 to have a lower MR value.,C=CCNS(=O)(=O)c1ccc(CC)cc1
QED,Modify the molecule Cn1cc(C2=C(c3coc4ncccc34)C(=O)NC2=O)c2cc(F)ccc21 to have a lower QED value.,Cn1cc(C(C=O)c2coc3ncccc23)c2cc(F)ccc21
AtomNum,"The molecule consists of 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCC[NH2+]Cc1ccccc1OCCc1cccnc1
BondNum,"Please generate a molecule composed of 16 single bonds, 3 double bonds, 8 rotatable bonds, and 20 aromatic bonds.",COc1nn(CCC(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccco4)c23)cc1[N+](=O)[O-]
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 hydroxyl group, 2 halo groups, 1 thioether group, and 1 sulfide group.",CCSc1ccc(C(O)Cc2cc(F)ccc2Cl)cc1
AddComponent,Add a amine to the molecule CS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2CC(F)(F)F)c1.,CS(=O)(=O)Nc1cc(N)cc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2CC(F)(F)F)c1
SubComponent,Modify the molecule Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3cccc(C(=O)Nc4ccccc4F)c3)CC2)c1 by substituting a halo with a thiol.,Cc1ccccc1NC(=O)c1ccc(S)c(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3cccc(C(=O)Nc4ccccc4F)c3)CC2)c1
DelComponent,Please remove a benzene ring from the molecule CCOc1ccc(C2C3=C(N=c4sc(=Cc5cccc(OC)c5OC)c(=O)n42)c2ccccc2CC3)cc1.,CCOc1ccc(C2C3=C(N=c4sc(=C(OC)OC)c(=O)n42)c2ccccc2CC3)cc1
LogP,Please optimize the molecule C=CC([NH2+]C(CCCCNC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C)C(=C)O[Si](C)(C)C(C)(C)C to have a lower LogP value.,C=CC([NH2+]C(CCCCNC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)OC(C)(C)C)C(=C)O[Si](C)(C)C(C)(C)C
MR,Modify the molecule Cc1cc(CCl)cc(C)c1OCc1cccc(F)c1F to increase its MR value.,Cc1cc(CCl)c(O)c(C)c1OCc1cccc(F)c1F
QED,Modify the molecule CN1C(=O)Cc2cc(C([NH3+])C3(CO)CCC3)ccc21 to have a lower QED value.,Cc1ccc(C([NH3+])C2(CO)CCC2)cc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",CCCC1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1
BondNum,"Please generate a molecule consisting 28 single bonds, 4 double bonds, and 5 rotatable bonds.",C=CC(=O)OC1(C2CCCCC2)C(F)(F)C(O)(N=[N+]=[N-])OC(CC)(C(F)(F)F)C1(F)F
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",COC(=O)N(OC)c1ccc(I)cc1C
AddComponent,Add a benzene ring to the molecule COc1ccc(C(=O)N(C)C)cc1NC(=O)C1CCOCC1.,COc1ccc(C(=O)N(C)Cc2ccccc2)cc1NC(=O)C1CCOCC1
SubComponent,Please substitute a nitrile in the molecule CCC(C#N)C(=O)Nc1ccc(C(C)=O)cc1 with a halo.,CCC(I)C(=O)Nc1ccc(C(C)=O)cc1
DelComponent,Please remove a amide from the molecule CC(C)C(=O)N1CCC(C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CC1.,CC(C)C(=O)N1CCC2CS(=O)(=O)C3(CCCCC3)CC2C1
LogP,Please optimize the molecule CC1CCCC(C)N1NCc1cccc([N+](=O)[O-])c1Br to have a lower LogP value.,CC1CCC(CC=O)C(C)N1NCc1cccc([N+](=O)[O-])c1Br
MR,Please modify the molecule CC[Si](CC)(CC)OC1C(=O)C2(C)C(O[Si](CC)(CC)CC)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C23OC(=O)OC2C(O)C(C)=C1C3(C)C to increase its MR value.,CC[Si](CC)(CC)OC1C(=O)C2(C)C(O[Si](CC)(CC)CC)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C23OC(=O)OC2C(Br)C(C)=C1C3(C)C
QED,Please modify the molecule CC(C)[NH+]1CC(C[NH2+]CCCF)C1 to decrease its QED value.,CC(C)[NH+]1CC(C[NH2+]CCCNO)C1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CCOc1cc(C)nc(NC(C)c2cc(C)sc2C)n1
BondNum,"There is a molecule consisting of 11 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",C=CCNC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 2 amide groups, and 1 amine group.",COc1ccccc1NC1=C(c2ccccc2OC)C(=O)N(c2cc(C)ccc2C)C1=O
AddComponent,Modify the molecule CSc1ccccc1NC(=O)CCSc1nnc(-c2cccs2)n1C1CC1 by adding a benzene ring.,CSc1ccccc1NC(=O)CCSc1nnc(-c2cccs2)n1C1CC1c1ccccc1
SubComponent,Please substitute a halo in the molecule O=C(NC1CS(=O)(=O)CC1Cl)c1cccc(Cl)c1F with a nitro.,ONC1CS(=O)(=O)CC1NC(=O)c1cccc(Cl)c1F
DelComponent,Remove a O=C([O-])C1CCN(C(=O)NCCc2ccccc2OC(F)(F)F)C1 from the molecule benzene ring.,O=C([O-])C1CCN(C(=O)NCCOC(F)(F)F)C1
LogP,Please optimize the molecule CC1CCC[NH+](Cc2cc(=O)oc3cc(Br)ccc23)C1 to have a lower LogP value.,CC1CCC[NH+](Cc2cc(=O)oc3ccccc23)C1
MR,Please optimize the molecule COc1ccc(OCC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 to have a lower MR value.,COc1ccc(OCC(=O)OCC(=O)Nc2cc(C#N)ccc2[N+](=O)[O-])cc1
QED,Please optimize the molecule CCSc1ccccc1NC=O to have a lower QED value.,O=CNc1ccccc1SCCO
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CC(NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1Br
BondNum,"There is a molecule with 8 single bonds, 3 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccc(Br)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",CCC(NC(=O)CCc1ccccc1)P(=O)([O-])OC(CCCC[NH3+])C(=O)[O-]
AddComponent,Please add a benzene ring to the molecule CC(C)c1c(C(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)C(C)C2)cnn1-c1nc(-c2ccc(Br)cc2)cs1.,CC(C)c1c(C(=O)N2CCN(C(=O)C(c3ccccc3)c3ccc(-c4ccccc4)cc3)C(C)C2)cnn1-c1nc(-c2ccc(Br)cc2)cs1
SubComponent,Substitute a halo in the molecule CNc1c(C[NH+](C)Cc2ccccc2Br)c(C)nn1C with a hydroxyl.,CNc1c(C[NH+](C)Cc2ccccc2O)c(C)nn1C
DelComponent,Remove a amine from the molecule O=C([O-])c1cccc(CNc2cc(Br)ccc2F)c1.,O=C([O-])c1cccc(Cc2cc(Br)ccc2F)c1
LogP,Modify the molecule O=C(C[NH+](CCc1ccccc1)Cc1ccccc1)NCC(=O)N1CCCC1 to decrease its LogP value.,CC[NH+](CC(=O)NCC(=O)N1CCCC1)Cc1ccccc1
MR,Please optimize the molecule COc1ccnc(COc2cccc(B(O)O)c2)c1OC to have a higher MR value.,COc1ccnc(COc2cccc(B(O)NO)c2)c1OC
QED,Please modify the molecule CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1cccnc1Cl)C(=O)CO2 to decrease its QED value.,CCN(CC)S(=O)(=O)c1ccc2c(c1)N(C(C(=O)Nc1cccnc1Cl)c1ccccc1)C(=O)CO2
AtomNum,"There is a molecule composed of 24 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",CCC[NH+](C)C1CCN(C(=O)C(CCCc2ccc(OCC)cc2)C(O)CON[O-])CC1
BondNum,"Please generate a molecule with 11 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]Cc1cc(C)cc(C(C)(C)C)c1OC
FunctionalGroup,"There is a molecule composed of 1 amine group, 1 nitrile group, and 1 sulfide group.",CCNc1nc(Sc2c(C#N)c(=O)n(C)c(=O)n2C)nc2ccccc12
AddComponent,Add a hydroxyl to the molecule CNC(=O)C1CN(C(=O)COC(=O)CN(C)c2ncccn2)c2ccccc2O1.,CN(CC(=O)OCC(=O)N1CC(C(=O)NCO)Oc2ccccc21)c1ncccn1
SubComponent,Substitute a Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(F)c(NC(=O)C(C)C)c2)C(C)C)CC1 in the molecule halo with a nitrile.,Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(C#N)c(NC(=O)C(C)C)c2)C(C)C)CC1
DelComponent,Please remove a halo from the molecule C[NH+]=C(NCc1ccnc(OCC(F)(F)F)c1)N1CCC(Oc2ccccc2)CC1.,C[NH+]=C(NCc1ccnc(OCC(F)F)c1)N1CCC(Oc2ccccc2)CC1
LogP,Please optimize the molecule CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)NC)cc2)CC1 to have a lower LogP value.,CNC(=O)c1ccc(C[NH2+]C2CC[NH+](CC(C)C#N)CC2)cc1
MR,Modify the molecule NC(=S)C1(NC(=O)c2cc(Br)sc2Br)CCCCCCC1 to have a lower MR value.,NC(=S)C1(NC(=O)c2cc(O)sc2Br)CCCCCCC1
QED,Please modify the molecule CCCCc1ccc(C2=CCC(c3ccc(-c4ccc(CCC)cc4)cc3)CC2)c(F)c1Cl to increase its QED value.,CCCCc1ccc(C2=CCC(c3ccc(-c4ccc(CCC)cc4)cc3)CC2)c(C#N)c1Cl
AtomNum,"The molecule has 31 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CC1CCC(c2cccc(NC(=O)c3noc4ccccc34)c2)([NH+]2CCN(c3ccccc3)CC2)CC1
BondNum,"Please generate a molecule with 15 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",Nc1c(F)cc(Cl)cc1C(=O)N1CCCC(OCCO)C1
FunctionalGroup,The molecule has and 3 amide groups.,CCC(C)C([NH3+])C(=O)NC(C(=O)NCC(=O)NC(C)C(=O)[O-])C(C)CC
AddComponent,Add a hydroxyl to the molecule CCCCCOc1ccc(C[NH2+]CCN(CC)CC)cc1OC.,CCCCCOc1ccc(C(O)[NH2+]CCN(CC)CC)cc1OC
SubComponent,Please substitute a nitrile in the molecule N#Cc1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCC(c2ccccc2)C1 with a nitro.,ONc1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCC(c2ccccc2)C1
DelComponent,Please remove a halo from the molecule CC(=O)c1cc2c(cc1NC(=O)CBr)OCCO2.,CC(=O)Nc1cc2c(cc1C(C)=O)OCCO2
LogP,Modify the molecule Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 to have a higher LogP value.,Cc1cc(Cl)ccc1OC(=S)NNC(=O)COc1ccc(Cl)cc1
MR,Please modify the molecule Nc1cc(F)ccc1C1COCC(=O)N1 to increase its MR value.,Nc1c(C2COCC(=O)N2)ccc(F)c1C(=O)O
QED,Modify the molecule CC(C[NH+]1CCOCC1)C(=O)N1CCC(C2Nc3ccccc3S(=O)(=O)N2)CC1 to increase its QED value.,CC(C1CCC(C2Nc3ccccc3S(=O)(=O)N2)C1)[NH+]1CCOCC1
AtomNum,"The molecule consists of 40 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc(-c2ccc(C)cc2N=C(c2ccccc2)c2ccccc2O)c(N=C(c2ccccc2)c2ccccc2O)c1
BondNum,"The molecule contains 15 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC1CCc2cccc(OCC(=O)N3CCCC3)c2N1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 2 amine groups.",Cc1ccc(NC(=S)NNC(=O)Cn2ncc3ccccc3c2=O)cc1
AddComponent,Modify the molecule COc1ccc(NC(=O)C2c3ccccc3C(=O)N3CCC(C)CC23)c(OC)c1 by adding a hydroxyl.,COc1cc(O)c(NC(=O)C2c3ccccc3C(=O)N3CCC(C)CC23)c(OC)c1
SubComponent,Please substitute a halo in the molecule O=C(N[n+]1ccccc1)c1cccc(Cl)c1 with a aldehyde.,CC(=O)c1cccc(C(=O)N[n+]2ccccc2)c1
DelComponent,Remove a amide from the molecule CCc1nnc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)s1.,CCc1nnc(Sc2nnc(-c3ccc(O)cc3)n2C)s1
LogP,Modify the molecule CC[NH2+]CC1=C(c2ccc(F)cc2)S(=O)(=O)N(Cc2ccccc2)C12CCCCC2 to have a lower LogP value.,CC[NH2+]CC1=C(c2ccc(F)cc2)S(=O)(=O)N(C)C12CCCCC2
MR,Optimize the molecule Cc1ccc(CC(=O)[NH+]=C2SC3CS(=O)(=O)CC3N2c2ccc(Cl)c(F)c2)cc1 to have a lower MR value.,Cc1ccc(C2SC3CS(=O)(=O)CC3N2c2ccc(Cl)c(F)c2)cc1
QED,Modify the molecule Fc1ccc(NC(c2ccc(F)cc2)C2CC[NH+](CCCNc3ccccc3)CC2)cc1 to increase its QED value.,Fc1ccc(NC(c2ccccc2)C2CC[NH+](CCCNc3ccccc3)CC2)cc1
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",C=CCN(CC(=O)[O-])c1ccc([N+](=O)[O-])c2nonc12
BondNum,"Please generate a molecule consisting 16 single bonds, 1 triple bond, and 8 rotatable bonds.",CC(C)CC[NH+](CCCC(C)(C)C#N)C1CC1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 halo group.",O=C(C=Cc1cccc2cccnc12)N1CCCC1c1ccc(F)cc1
AddComponent,Modify the molecule CCCN(C(=O)C1CCC([NH3+])CC1C)C(C)C by adding a hydroxyl.,CCCN(C(=O)C1C(C)CC([NH3+])CC1O)C(C)C
SubComponent,Please substitute a halo in the molecule FC(F)(F)c1cccc(C(F)(F)F)c1Oc1cccnc1 with a thiol.,FC(F)(F)c1cccc(C(F)(F)S)c1Oc1cccnc1
DelComponent,Modify the molecule amine by removing a CC[NH+](CC)CCCC(C)NS(=O)(=O)c1cn[nH]c1.,CC[NH+](CC)CCCC(C)S(=O)(=O)c1cn[nH]c1
LogP,Please modify the molecule NC(=O)NC1C(O)COC2C(O)C(c3c[nH]c(=O)[nH]c3=O)OC12 to increase its LogP value.,NC(=O)NC1CCOC2C(O)C(c3c[nH]c(=O)[nH]c3=O)OC12
MR,Modify the molecule CCOCCOc1ccc(OCC)cc1Cl to increase its MR value.,CC(=O)c1cc(OCC)ccc1OCCOCC
QED,Please optimize the molecule c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3cc4ccccc4c4ccccc34)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3cc4ccccc4c4ccccc34)c2c1 to have a lower QED value.,c1ccc(-c2cccc3cc(-c4c5ccc(N6c7ccccc7Oc7ccccc76)cc5c(-c5cc6ccccc6c6ccccc56)c5ccc(N6c7ccccc7Oc7ccccc76)cc45)c4ccccc4c23)cc1
AtomNum,"The molecule contains 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",O=C(CC1CC2CCC1C2)NCC=CCCl
BondNum,"Please generate a molecule consisting 15 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",NC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1CCCCC2
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 1 halo group.",Cc1c(Cl)cccc1NC(=O)CC(C[NH3+])CC(C)C
AddComponent,Add a hydroxyl to the molecule O=C(Nc1cnc(Oc2ccccc2)nc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.,O=C(Nc1cnc(Oc2ccccc2)nc1)Nc1cc(C(F)(F)F)c(O)c(C(F)(F)F)c1
SubComponent,Substitute a hydroxyl in the molecule O=C1C2C3CC4C5C3C1C5C(O)([NH2+]CCCc1ccccc1)C42 with a carboxyl.,O=C1C2C3CC4C5C3C1C5C([NH2+]CCCc1ccccc1)(C(=O)[OH])C42
DelComponent,Modify the molecule CCNC(=O)c1ccc(Nc2ccc(Oc3ccc(S(C)(=O)=O)nc3)c(CN3CCCC3=O)c2)nc1 by removing a amine.,CCNC(=O)c1ccc(-c2ccc(Oc3ccc(S(C)(=O)=O)nc3)c(CN3CCCC3=O)c2)nc1
LogP,Modify the molecule C=CCOC(=O)C(C1CCC2(C)CCCC(=C)C12)C(C)(C)O to have a higher LogP value.,C=CCOC(=O)C(C(C)C)C1CCC2(C)CCCC(=C)C12
MR,Please modify the molecule Cc1ccccc1S(=O)(=O)NC1CCN(c2ccc(F)cc2)C1=O to increase its MR value.,Cc1ccccc1S(=O)(=O)NC1CCN(c2ccccc2)C1=O
QED,Modify the molecule O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1CN(C(=O)c2ccc(F)c(F)c2)C1 to have a lower QED value.,O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1CN(C(=O)c2ccc(S)c(F)c2)C1
AtomNum,"There is a molecule with 17 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1cccc(C=CC(=O)N2CCC(CC(N)=O)CC2)c1
BondNum,"The molecule contains 27 single bonds, 3 double bonds, and 4 rotatable bonds.",CC(=O)N1CCN(C(=O)CCNC(=O)N2CC3(CCCCC3)C2C(C)C)CC1
FunctionalGroup,The molecule has and 1 sulfide group.,Cc1nn(C)cc1C[NH2+]CCc1ccsc1
AddComponent,Add a amine to the molecule CCN1C(C)CCN(C)C(=O)C1CC#N.,CC1CCN(C)C(=O)C(CC#N)N1CCN
SubComponent,Modify the molecule halo by substituting a CCOCCN(C)S(=O)(=O)c1cc(Br)cnc1N with a nitrile.,CCOCCN(C)S(=O)(=O)c1cc(C#N)cnc1N
DelComponent,Modify the molecule benzene ring by removing a C=C(CO)CCOc1cc(OCCC(=C)CO)c(C)c(-c2ccc(-c3ccc(-c4ccc(CCCCC)cc4)cc3)cc2)c1.,C=C(CO)CCOc1cc(OCCC(=C)CO)c(C)c(-c2ccc(-c3ccc(CCCCC)cc3)cc2)c1
LogP,Please modify the molecule CCn1c(SCC2(CS)CC2)n[nH]c1=O to decrease its LogP value.,CCn1c(SCC2(CNO)CC2)n[nH]c1=O
MR,Please optimize the molecule N#Cc1cccc(Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c1 to have a higher MR value.,N#Cc1cccc(Cn2ccn3nc(-c4cc5c(c(-c6ccccc6)c4)OCO5)cc3c2=O)c1
QED,Please modify the molecule Cc1nnc(C2(O)C=CCCC2)n1-c1ccccc1 to decrease its QED value.,Cc1nnc(C2C=CCCC2)n1-c1ccccc1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC(CNC(=O)C(C)C(C)[NH3+])Oc1ccc(F)cc1
BondNum,"The molecule has 18 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCC(C)(C)C(=O)N1C(=O)CC(c2ccccc2)N1C(=O)C(C)(C)CC
FunctionalGroup,The molecule contains and 1 benzene ring group.,COc1cccc(C2(CNC(=O)NC3CCC(C(=O)[O-])CC3)CC2)c1
AddComponent,Add a benzene ring to the molecule COc1cccc(Nc2ccnc(Nc3cc(OC)c(OC)c(OCc4ccccc4)c3)n2)c1.,COc1cccc(Nc2ccnc(Nc3cc(OCc4ccccc4)c(OC)c(OCc4ccccc4)c3)n2)c1
SubComponent,Substitute a halo in the molecule Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3F)c2)CC1 with a thiol.,Cc1cc(C(=O)Nc2ccc(S)c(F)c2)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3F)c2)CC1
DelComponent,Remove a benzene ring from the molecule CC(OCc1ccccc1)C(=O)N(CC(=O)[O-])Cc1ccc(F)cc1.,CC(OCc1ccccc1)C(=O)N(CF)CC(=O)[O-]
LogP,Please modify the molecule CCN(CC)C(=O)C1CCC[NH+](CCCOc2cccc(-c3cccc(COc4cc(OCc5cncc(C#N)c5)c(C[NH+]5CCCCC5C(=O)[O-])cc4Cl)c3C)c2C)C1 to decrease its LogP value.,CCN(CC)C(=O)C1CCC[NH+](CCCOc2cccc(-c3cccc(COc4ccc(C[NH+]5CCCCC5C(=O)[O-])c(OCc5cncc(C#N)c5)c4)c3C)c2C)C1
MR,Modify the molecule O=C(NCC(O)c1cccc2ccccc12)C(=O)Nc1ccc(F)cc1F to decrease its MR value.,OC(CN(O)c1ccc(F)cc1F)c1cccc2ccccc12
QED,Optimize the molecule COC1(c2nc(=O)c(C(C)C)c(N)[nH]2)CCCCCC1 to have a higher QED value.,COC1(c2nc(=O)c(C(C)C)c[nH]2)CCCCCC1
AtomNum,"Please generate a molecule composed of 60 carbon atoms, and 2 nitrogen atoms.",c1ccc(-c2ccc(N(c3cc4c5c(c3)CCc3cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)cc(c3-5)CC4)c3cccc4ccccc34)cc2)cc1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N(C)Cc1ccc(F)cc1
FunctionalGroup,"Please generate a molecule composed of 2 amide groups, 1 amine group, and 1 halo group.",CCNc1ncc(F)cc1C(=O)N1CCNC(=O)C1CC
AddComponent,Please add a aldehyde to the molecule [NH3+]C(CCCCB(O)O)(C(=O)[O-])C1CC([NH2+]CCCc2ccccc2)C1.,[NH3+]C(CCCCB(O)O)(C(=O)[O-])C1CC([NH2+]CCCc2ccccc2)C1CC=O
SubComponent,Modify the molecule O=C(Nc1[nH]c(=O)ncc1F)c1cccc(-c2ccoc2)c1 by substituting a halo with a thiol.,O=C(Nc1[nH]c(=O)ncc1S)c1cccc(-c2ccoc2)c1
DelComponent,Modify the molecule halo by removing a CCn1cnnc1-c1cccc(NC(=O)c2cc(F)ccc2Br)c1.,CCn1cnnc1-c1cccc(NC(=O)c2ccccc2Br)c1
LogP,Please modify the molecule CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)c1ccc(C)cc1)n2C to increase its LogP value.,CCN(CC)S(=O)(=O)c1ccc2c(nc(CCC(=O)N(C)c3ccc(C)cc3)n2C)c1-c1ccccc1
MR,Modify the molecule CC#CC#Cc1ccc2c3c1C=CC(C)C3c1ccc3c4c(ccc-2c14)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O to have a lower MR value.,CC#CC#Cc1ccc2c3c1C=CC(C)C3c1ccc3c4c(ccc-2c14)C(=O)N(C(C)(C)C(C)C)C3=O
QED,Optimize the molecule Cc1cccc(OCCNC(=O)C2CCC(=O)NC2)c1 to have a lower QED value.,COCCNC(=O)C1CCC(=O)NC1
AtomNum,"The molecule is composed of 7 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",CCC(=O)c1cnc(S(C)(=O)=O)s1
BondNum,"The molecule contains 25 single bonds, 3 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCCOc1cccc(C([O-])=C2C(=O)C(=O)N(CC[NH+]3CCOCC3)C2c2ccc(OC)c(OC)c2)c1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, and 1 halo group.",O=C(C(c1ccccc1)N1CCCCC1=O)N1CCN(c2cccc(Cl)c2)CC1
AddComponent,Add a hydroxyl to the molecule CNC(=O)OCCC(C)(C)CN(CC(O)C(Cc1ccccc1)N(C(=O)[O-])C1COC2OCCC21)S(=O)(=O)c1ccc(OC)cc1.,CNC(=O)OCCC(C)(C)CN(CC(O)C(Cc1ccccc1)N(C(=O)[O-])C1COC2OCCC21O)S(=O)(=O)c1ccc(OC)cc1
SubComponent,Substitute a Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)NC(C)C(=O)Nc4ccc(F)c(NC(=O)c5ccccc5C)c4)CC3)c2C)cc1F in the molecule halo with a aldehyde.,CC(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccc(C)c(F)c4)c3C)CC2)cc1NC(=O)c1ccccc1C
DelComponent,Remove a CCn1nc(C#N)c2c1CC(F)CC2 from the molecule halo.,CCn1nc(C#N)c2c1CCCC2
LogP,Optimize the molecule C=C1NNC(=O)C1=NNc1ccc(Br)cc1 to have a higher LogP value.,C=C1NNC(=O)C1=NNc1ccc(Br)c(-c2ccccc2)c1
MR,Modify the molecule Cc1nnc(C23CCC(CC2)CC3)o1 to increase its MR value.,Cc1nnc(C23CCC(CC2)C(C(=O)O)C3)o1
QED,Modify the molecule Cc1ccc(C=CC(=O)Nc2ccc(N3CCC(C)CC3)nc2)cc1 to increase its QED value.,CC=CC(=O)Nc1ccc(N2CCC(C)CC2)nc1
AtomNum,"Please generate a molecule with 16 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 iodine atom.",CCOC(=O)c1cc(N)ccc1OCc1ccc(I)cc1
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 1 rotatable bond, and 10 aromatic bonds.",CC(C)(C)OC(=O)n1cc2ccc([N+](=O)[O-])cc2c1
FunctionalGroup,"There is a molecule composed of 2 amide groups, 2 thioether groups, and 1 sulfide group.",NC(=O)CSCCC(=O)NCC1(C(=O)[O-])CCOCC1
AddComponent,Please add a hydroxyl to the molecule COCCN(C(C)COC)S(=O)(=O)C(C)CNC(C)C.,COCCN(C(C)COCO)S(=O)(=O)C(C)CNC(C)C
SubComponent,Please substitute a halo in the molecule COC(=O)CSc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 with a nitrile.,COC(=O)CSc1ccc(C(F)(F)C#N)c([N+](=O)[O-])c1
DelComponent,Please remove a amide from the molecule CCOCCCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)C1CCCC1.,CCOCCC(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C1CCC1
LogP,Modify the molecule Cc1cc2nc(N3CC[NH+](C)CC3)c(Cl)nc2cc1Cl to decrease its LogP value.,Cc1cc2nc(N3CC[NH+](C)CC3)c(NO)nc2cc1Cl
MR,Optimize the molecule CSc1nnc(SC2=C([O-])CC(c3ccccc3)CC2=O)s1 to have a lower MR value.,CSc1nnc(SC2=C([O-])CCCC2=O)s1
QED,Please modify the molecule Cc1c(Cl)cccc1NC(=O)CCS(=O)(=O)N1CCOCC1 to decrease its QED value.,Cc1c(S)cccc1NC(=O)CCS(=O)(=O)N1CCOCC1
AtomNum,"Please generate a molecule composed of 9 carbon atoms, 2 oxygen atoms, and 1 chlorine atom.",CC(C)(C)CC(Cl)=CCC(=O)[O-]
BondNum,"The molecule consists of 26 single bonds, 4 double bonds, and 22 rotatable bonds.",C=CC(=O)OCCOC(=O)C(CCCCCCCCCCCCCCCC)CC(=O)[O-]
FunctionalGroup,"The molecule has 2 benzene ring groups, and 1 sulfone group.",Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4c4nnc(-c5cccc(C)c5)n34)CC2)cc1
AddComponent,Modify the molecule CCCCN(CC1([NH3+])CC1)C(C)CC by adding a hydroxyl.,CCCCN(CC1([NH3+])CC1O)C(C)CC
SubComponent,Modify the molecule halo by substituting a CCNc1ncnc(-c2c(Br)nnn2C)c1C with a aldehyde.,CC(=O)c1nnn(C)c1-c1ncnc(NCC)c1C
DelComponent,Remove a amide from the molecule [NH3+]CC1CCCC1C(=O)NCc1nnc2ccccn12.,[NH3+]CC1(Cc2nnc3ccccn23)CCC1
LogP,Modify the molecule O=C([O-])c1o[nH]c2cc(CC(F)(F)F)nc1-2 to decrease its LogP value.,Nc1c(CC(F)(F)F)nc2c(C(=O)[O-])o[nH]c1-2
MR,Please modify the molecule COC(=O)C(C)CC(O)c1ccc(Br)cc1Cl to decrease its MR value.,COC(=O)C(C)CC(O)c1ccc(S)cc1Cl
QED,Modify the molecule Cc1cc(C)cc(N(CCCC(=O)N(Cc2cccc(Cl)c2)C(C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 to decrease its QED value.,Cc1cc(C)cc(N(CCCC(=O)N(Cc2cc(Cl)ccc2-c2ccccc2)C(C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1
AtomNum,"Please generate a molecule with 22 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",COCCOC(=O)Nc1cccc(NC(=O)C2=NN(c3ccccc3)C(C(C)=O)C2)c1
BondNum,"Please generate a molecule with 20 single bonds, 2 double bonds, 18 rotatable bonds, and 38 aromatic bonds.",C=C(C)C(=O)OCCCCCCCCCCCOc1ccc(-c2ccc(-c3nnc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)o3)cc2)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 hydroxyl group, and 1 ketone group.",COc1cc(-c2nc(N3CCN(c4ccccc4)CC3)nc3c2C(=O)c2ccccc2-3)ccc1O
AddComponent,Modify the molecule Cc1nccc(N2CCC3(CCCCCC3)C2)n1 by adding a hydroxyl.,Cc1ncc(O)c(N2CCC3(CCCCCC3)C2)n1
SubComponent,Please substitute a halo in the molecule Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)o1 with a nitro.,Cc1nnc(N2CCN(C(=O)c3ccc(NO)cc3F)CC2)o1
DelComponent,Remove a halo from the molecule NC(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)I.,NC(=O)C(F)(F)C(F)OC(F)(C(F)(F)F)C(F)(F)I
LogP,Modify the molecule CNc1cc(Cl)[nH+]cc1C(Br)C#N to have a lower LogP value.,CNc1cc(Cl)[nH+]cc1CBr
MR,Modify the molecule Fc1ccc(CNc2ccc(Cl)cc2C(F)(F)F)c(Cl)c1 to have a higher MR value.,Oc1ccc(CNc2ccc(Cl)cc2C(F)(F)F)c(Cl)c1
QED,Please modify the molecule O=C(C[NH+]1CCCC(c2nc3ccccc3[nH]2)C1)Nc1cccc2ccccc12 to increase its QED value.,c1ccc2c([NH+]3CCCC(c4nc5ccccc5[nH]4)C3)cccc2c1
AtomNum,"The molecule consists of 19 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(C(C)NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC
BondNum,"Please generate a molecule consisting 17 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COC1CC(C(=O)[O-])N(C(=O)c2ccc(CCC(F)(F)F)cc2)C1
FunctionalGroup,"The molecule contains 1 amide group, 1 amine group, 1 thioether group, and 1 sulfide group.",CCCc1nnc(SCC(=O)N(CCC)CCC)n1N
AddComponent,Modify the molecule CCC(Oc1cccc(C)c1)C(=O)N(C)Cc1ccccc1OC by adding a benzene ring.,CCC(Oc1ccc(-c2ccccc2)c(C)c1)C(=O)N(C)Cc1ccccc1OC
SubComponent,Modify the molecule halo by substituting a CCOc1ccc(Cl)cc1C(Cl)C(C)=O with a nitro.,CCOc1ccc(NO)cc1C(Cl)C(C)=O
DelComponent,Modify the molecule hydroxyl by removing a CSCCC(NC(N)=O)C(=O)N1CCOC(CO)C1.,CSCCC(NC(N)=O)C(=O)N1CCOC(C)C1
LogP,Optimize the molecule Cc1nccn1-c1ccc(CNc2ncccc2C(=O)OC(C)C)cc1F to have a lower LogP value.,Cc1nccn1-c1ccc(CNc2ncccc2C(=O)OC(C)(C)N)cc1F
MR,Please modify the molecule Cc1nc(CC[NH2+]Cc2ccc(C(C)(C)C)s2)no1 to increase its MR value.,CC(C)(C)c1ccc(C[NH2+]CCc2noc(Cc3ccccc3)n2)s1
QED,Please optimize the molecule [C-]#[N+]C1(O)CCCN(C(=O)OC(C)(C)C)C1 to have a lower QED value.,[C-]#[N+]C1(C#N)CCCN(C(=O)OC(C)(C)C)C1
AtomNum,"The molecule contains 16 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",COc1ccc(-c2csc(NC(=O)c3cnc(C)cn3)n2)cc1Cl
BondNum,"Please generate a molecule with 15 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(C(C[NH3+])N(CC2CC2)C2CC2)cc1C
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amide group.",CC1CN(C)CC[NH+]1C(C)C(=O)Nc1ccc(C[NH3+])cc1
AddComponent,Please add a benzene ring to the molecule CN1CC[NH+](C(N)=C(C#N)C(=S)NCc2ccccc2)CC1.,CN1CC[NH+](C(N)=C(C#N)C(=S)NCc2ccccc2)C(c2ccccc2)C1
SubComponent,Modify the molecule CCC[NH2+]C(Cc1cncs1)c1cc(C)c(Br)s1 by substituting a halo with a nitro.,CCC[NH2+]C(Cc1cncs1)c1cc(C)c(NO)s1
DelComponent,Please remove a [NH3+]CC1CCC(c2ccccc2)O1 from the molecule benzene ring.,[NH3+]CC1CCCO1
LogP,Please modify the molecule COc1ccc(C2OC(c3cc(Cl)ccc3OCC(=O)[O-])C(C(C)=O)CC2c2ccc(Cl)cc2)cc1 to decrease its LogP value.,COc1ccc(C2OC(c3cc(NO)ccc3OCC(=O)[O-])C(C(C)=O)CC2c2ccc(Cl)cc2)cc1
MR,Optimize the molecule O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1F to have a higher MR value.,CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)[O-]
QED,Modify the molecule Cc1cccc(C)c1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)CC1 to have a higher QED value.,Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)N(C)C)CC2)cccc1C(=O)N1CCCC1
AtomNum,"The molecule consists of 18 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCN(S(=O)(=O)CC)CC2)c1
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, 7 rotatable bonds, and 22 aromatic bonds.",COc1ccc(-c2nn3ccn(CC(=O)Nc4ccc(C(C)C)cc4)c(=O)c3c2CO)cc1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 1 amide group.",COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3c(C)cc(C)cc3C)c2=O)cc1OC
AddComponent,Please add a hydroxyl to the molecule NC(=O)NC(=O)Cc1cc2ccccc2cc1OCCCCNC(=O)C([NH3+])Cc1ccccn1.,NC(=O)NC(=O)Cc1cc2ccccc2cc1OCCCCNC(=O)C([NH3+])C(O)c1ccccn1
SubComponent,Please substitute a hydroxyl in the molecule CCCCNC(=O)c1cc(OC)ccc1O with a aldehyde.,CC(=O)c1ccc(OC)cc1C(=O)NCCCC
DelComponent,Modify the molecule CC([NH2+]CC1(CO)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 by removing a benzene ring.,CC([NH2+]CC1(CO)CC1)c1ccc([N+](=O)[O-])s1
LogP,Modify the molecule CC[NH2+]Cc1ccc(-c2ccc(OC(C)C)cc2)cc1F to have a lower LogP value.,CC[NH2+]Cc1ccc(-c2ccc(OC(C)C)c(C(=O)O)c2)cc1F
MR,Modify the molecule CN(Cc1cccc(C[NH3+])c1)C(=O)c1cc(O)ccc1Cl to have a lower MR value.,CN(Cc1cccc(C[NH3+])c1)C(=O)c1ccccc1Cl
QED,Please optimize the molecule CC(NC(=O)C1OCC(=O)N(C)C1c1cccc(F)c1)C(=O)N1CCCCC1 to have a lower QED value.,CC(NC(=O)C1OCC(=O)N(C)C1c1cccc(F)c1)C(=O)N1CCCC(c2ccccc2)C1
AtomNum,"Please generate a molecule with 20 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",CCOC(=O)N1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(N2C(=O)c3cccnc3C2CC(=O)NCCC(C)C)c1
FunctionalGroup,"The molecule has 1 ester group, and 3 halo groups.",CCOC(=O)CN(CC)c1ccc(C(F)(F)F)cn1
AddComponent,Modify the molecule O=C(CSc1nc(-c2ccccc2)no1)N1CCN(c2ccc(F)cc2)CC1 by adding a hydroxyl.,O=C(CSc1nc(-c2ccccc2)no1)N1CCN(c2ccc(F)cc2O)CC1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)NC(=O)C(c1cccc(O)c1)N(C(=O)CNC(=O)OC(C)(C)C)C1CC1C with a carboxyl.,CC(C)NC(=O)C(c1cccc(C(=O)[OH])c1)N(C(=O)CNC(=O)OC(C)(C)C)C1CC1C
DelComponent,Remove a amide from the molecule CC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)OCCCCCCCCCCCCCCCCCCC(=O)[O-].,CC(CCCC[NH3+])C(=O)N(CCCC[NH3+])C(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)OCCCCCCCCCCCCCCCCCCC(=O)[O-]
LogP,Please optimize the molecule FC(F)C1CCNc2cc(-c3cccnc3)nn21 to have a higher LogP value.,FC(F)C1CCc2cc(-c3cccnc3)nn21
MR,Optimize the molecule CN(C)c1ccc(NP2OCCN2c2ccccc2)cc1 to have a lower MR value.,CN(C)c1ccc(NP2NCCO2)cc1
QED,Modify the molecule CCC(CC)(CO)CNC(=O)CC1c2ccccc2CCN1C(C)=O to decrease its QED value.,CCC(CC)(CO)CNC(=O)C(O)C1c2ccccc2CCN1C(C)=O
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",COC(=O)C1CC[NH+](C2CCCCCC2)CC1
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, 1 triple bond, 6 rotatable bonds, and 6 aromatic bonds.",CCCc1cc(=O)nc(SCC(N)(C#N)C2CC2)[nH]1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, 1 halo group, 1 thioether group, and 1 sulfide group.",CCOC(=O)Cn1cc(SCc2ccccc2Cl)c2ccccc21
AddComponent,Please add a benzene ring to the molecule CSc1cc2c(I)cc(O)cc2s1.,CSc1cc2c(I)cc(O)c(-c3ccccc3)c2s1
SubComponent,Modify the molecule halo by substituting a CCC(Br)C(=O)c1ccc(C(C)C)cc1 with a nitrile.,CCC(C#N)C(=O)c1ccc(C(C)C)cc1
DelComponent,Please remove a halo from the molecule Cc1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)NC3CCCCC3)ccc12.,Cc1cn(-c2ncc(-c3ccccc3)cn2)c2cc(C(=O)NC3CCCCC3)ccc12
LogP,Optimize the molecule CCN(C)C(=O)c1ccccc1-c1cccc(CN(C)C(C)=O)c1 to have a higher LogP value.,CCc1cccc(-c2ccccc2C(=O)N(C)CC)c1
MR,Please modify the molecule COC1CCCCC1[NH2+]CCCCO to decrease its MR value.,CCCC[NH2+]C1CCCCC1OC
QED,Please optimize the molecule CC1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C(C)(C)C1 to have a lower QED value.,CC1CN(C(=O)c2ccc3c(c2)O3)C(C)(C)C1
AtomNum,"There is a molecule with 9 carbon atoms, 2 bromine atoms, and 1 silicon atom.",CC[Si](Br)(Br)Cc1ccccc1
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, and 3 rotatable bonds.",CCC(C)(C)C(=O)NC1CCCCC1O
FunctionalGroup,"The molecule consists of 6 benzene ring groups, 2 hydroxyl groups, and 2 amide groups.",O=C(Nc1cc(NC(=O)C(O)c2ccccc2)cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1)C(O)c1ccccc1
AddComponent,Add a aldehyde to the molecule Cn1ccnc1C(NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1cccc(F)c1.,Cn1ccnc1C(NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1cccc(F)c1CC=O
SubComponent,Substitute a nitrile in the molecule CCSP(=S)(Oc1cc(C#N)cc2c(=O)c3cc(C#N)ccc3oc12)c1ccccc1 with a nitro.,CCSP(=S)(Oc1cc(NO)cc2c(=O)c3cc(C#N)ccc3oc12)c1ccccc1
DelComponent,Modify the molecule CC(C#N)C(=O)CCc1ccccc1 by removing a nitrile.,CCC(=O)CCc1ccccc1
LogP,Modify the molecule CCCCCCCCCc1c2nc(c(-c3c4nc(c(-c5cc(CCCC)cc(CCCC)c5)c5ccc(cc6nc(c(-c7cc(CCCC)cc(CCCC)c7)c7ccc3[nH]7)C=C6)[nH]5)C=C4)c3ccc([nH]3)c(CCCCCCCCC)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2 to increase its LogP value.,CCCCCCCCCc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(C(CC=O)CCCCCCCC)c3nc(c(-c4c5nc(c(-c6cc(CCCC)cc(CCCC)c6)c6ccc(cc7nc(c(-c8cc(CCCC)cc(CCCC)c8)c8ccc4[nH]8)C=C7)[nH]6)C=C5)c4ccc1[nH]4)C=C3)C=C2
MR,Modify the molecule CCOC(=O)c1c(-c2ccccc2)nc(Cl)nc1-c1ccccc1 to decrease its MR value.,CCOC(=O)c1cnc(Cl)nc1-c1ccccc1
QED,Please optimize the molecule Cc1ccccc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 to have a lower QED value.,Cc1ccc(N)cc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",Nc1ccc2oc(=O)c(C(=O)N3CCOCC3)cc2c1
BondNum,"Please generate a molecule composed of 7 single bonds, 5 rotatable bonds, and 22 aromatic bonds.",COc1ccccc1Nc1nc(Nc2ccccc2Cl)c2cn[nH]c2n1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 1 halo group.",CCC(NC(=O)c1ccc(I)c(O)c1)C(=O)[O-]
AddComponent,Modify the molecule COc1cccc(C(=O)Oc2c(Cl)cc(C=C3SC(=S)N(C)C3=O)cc2OC)c1 by adding a amine.,COc1ccc(N)c(C(=O)Oc2c(Cl)cc(C=C3SC(=S)N(C)C3=O)cc2OC)c1
SubComponent,Substitute a CC(C)(CC(N)=O)[NH2+]CCOC(F)(F)F in the molecule halo with a aldehyde.,CC(=O)C(F)(F)OCC[NH2+]C(C)(C)CC(N)=O
DelComponent,Modify the molecule amide by removing a O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1ccc2ncsc2c1.,O=CNC1C[NH2+]CC1Cc1ccc2ncsc2c1
LogP,Please modify the molecule COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(N4CC(C)[NH2+]C(C)C4)c(OCCn4ccccc4=O)c3)nc2)c1F to decrease its LogP value.,COc1cc(COc2cnc(Nc3ccc(N4CC(C)[NH2+]C(C)C4)c(OCCn4ccccc4=O)c3)nc2)c(F)c(OC)c1
MR,Optimize the molecule Cc1cc(C2CC(C(=O)NCC(c3ccco3)[NH+]3CCOCC3)NN2)ccc1F to have a higher MR value.,Cc1cccc(C2CC(C(=O)NCC(c3ccco3)[NH+]3CCOCC3)NN2)c1
QED,Modify the molecule CCc1c(C)sc(NC(NC(C)=O)(C(=O)OC)C(F)(F)F)c1C(=O)OC to have a lower QED value.,CCc1c(C)sc(NC(NC(C)=O)(C(=O)OC)C(F)F)c1C(=O)OC
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 bromine atom.",CC1C[NH+](CC2CCCN2CC(=O)Nc2ccc(Br)cn2)CC(C)O1
BondNum,"There is a molecule composed of 6 single bonds, 5 rotatable bonds, and 10 aromatic bonds.",Cn1cnc(CC[NH2+]Cc2ccn[nH]2)n1
FunctionalGroup,Please generate a molecule consisting and 1 ester group.,CCOC(=O)c1cc(N2CCOCC2)n(C)c1C
AddComponent,Modify the molecule CN(CC(=O)[O-])c1nccc(-n2cc(Cl)cn2)n1 by adding a benzene ring.,O=C([O-])CN(Cc1ccccc1)c1nccc(-n2cc(Cl)cn2)n1
SubComponent,Substitute a CCCC(NC(=O)Cc1ccc(F)c(Br)c1)C(=O)[O-] in the molecule halo with a carboxyl.,CCCC(NC(=O)Cc1ccc(C(=O)[OH])c(Br)c1)C(=O)[O-]
DelComponent,Please remove a CCC([NH3+])c1cccc(-c2cnn(C)c2)c1 from the molecule benzene ring.,CCC([NH3+])c1cnn(C)c1
LogP,Please modify the molecule CN=C(C=NO)Cc1cnc(Cl)c(Cl)c1 to decrease its LogP value.,CN=C(C=NO)Cc1cncc(Cl)c1
MR,Please modify the molecule O=C(CCn1c(=O)c(N2CCCC2)nc2ccccc21)N(CCO)Cc1ccccc1F to increase its MR value.,O=C(CCn1c(=O)c(N2CCCC2)nc2ccccc21)N(CCO)Cc1ccccc1
QED,Please modify the molecule O=C(C1CC(F)C1)N1CC2C[NH+](CC3CCOCC3)CC21 to decrease its QED value.,O=C(C1CCC1)N1CC2C[NH+](CC3CCOCC3)CC21
AtomNum,"The molecule is composed of 28 carbon atoms, 1 oxygen atom, and 7 nitrogen atoms.",CC(=O)Nc1ccc(CCN2CC[NH2+]CC2CCCc2c[nH]c3ccc(Cn4cncn4)cc23)cc1
BondNum,"The molecule has 12 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C(C)N(C)C(=O)NCc2ccc(C(=O)[O-])cc2)c(C)c1
FunctionalGroup,There is a molecule with and 8 halo groups.,CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC[NH2+]C
AddComponent,Add a carboxyl to the molecule CCCNc1nc(-c2cccc(OCC)c2)nc(C)c1F.,CCOc1cccc(-c2nc(C)c(F)c(NCCCC(=O)O)n2)c1
SubComponent,Please substitute a halo in the molecule CCC(CCBr)NS(=O)(=O)CCc1ccncc1 with a carboxyl.,CCC(CCC(=O)[OH])NS(=O)(=O)CCc1ccncc1
DelComponent,Remove a Cn1ccc(C(=O)NC(C)(C)CBr)cc1=O from the molecule halo.,Cn1ccc(C(=O)NC(C)(C)C)cc1=O
LogP,Please modify the molecule CCOc1cc2c(NN)c3c(nc2cc1F)CCCCC3 to decrease its LogP value.,CCOc1ccc2nc3c(c(NN)c2c1)CCCCC3
MR,Modify the molecule Cc1cc2cccc(S(=O)(=O)N(C)CC[NH3+])c2nc1Cl to decrease its MR value.,Cc1cnc2c(S(=O)(=O)N(C)CC[NH3+])cccc2c1
QED,Modify the molecule Cc1cc(-c2cc(C(=O)N3CCCC(CO)C3)nn2C)ccc1F to have a lower QED value.,Cc1cc(-c2cc(C(=O)N3CCCC(CO)C3)nn2C)ccc1C#N
AtomNum,"There is a molecule consisting of 11 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 3 chlorine atoms, and 1 bromine atom.",O=S(=O)(NCC(Cl)C1CC1)c1c(Cl)cc(Br)cc1Cl
BondNum,"There is a molecule with 8 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(OCC(C)C[NH3+])c(C)c1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 2 halo groups, and 1 sulfone group.",CCOc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1S(=O)(=O)N(C)C
AddComponent,Please add a hydroxyl to the molecule O=C(NC1CCC(=O)N(CCC(Sc2ccccc2)c2ccccc2)CC1)OCc1ccccc1.,O=C(NC1CCC(=O)N(CCC(O)(Sc2ccccc2)c2ccccc2)CC1)OCc1ccccc1
SubComponent,Please substitute a halo in the molecule O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1nnccc1C(F)(F)F with a carboxyl.,O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1nnccc1C(F)(F)C(=O)[OH]
DelComponent,Modify the molecule halo by removing a CC(Cn1c(CCCl)nc2cc(I)ccc21)C1CC1.,CC(Cn1c(CCCl)nc2ccccc21)C1CC1
LogP,Please modify the molecule CC(C)=C(C)C(C)(O)C1CC=CC1 to increase its LogP value.,CC(C)=C(C)C(C)C1CC=CC1
MR,Optimize the molecule COCCNC(=O)C(=O)NCC1(OC)C2CC3CC(C2)CC1C3 to have a higher MR value.,COCCNC(=O)C(=O)NCC1(OC)C2CC3CC(C2)C(c2ccccc2)C1C3
QED,Optimize the molecule O=S(=O)(NCc1ccc(F)cc1F)c1ccc(Cl)cc1 to have a lower QED value.,N#Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)c(F)c1
AtomNum,"There is a molecule composed of 22 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COC(=O)CSc1cc(NC(=O)Cc2ccccc2)c2ccccc2c1OC
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",Cc1nc(COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cs1
FunctionalGroup,"There is a molecule composed of 1 amide group, 1 sulfide group, and 1 sulfone group.",O=C(c1cc2ccccc2s1)N1CCN(S(=O)(=O)c2ncn[nH]2)CC1
AddComponent,Modify the molecule O=C(c1cccnc1)N1CCCC(NS(=O)(=O)c2cccc(Cl)c2)C1 by adding a benzene ring.,O=C(c1cccnc1)N1CCCC(NS(=O)(=O)c2cc(Cl)ccc2-c2ccccc2)C1
SubComponent,Substitute a halo in the molecule N#Cc1c(CC(=O)[O-])cnc(C(F)F)c1CBr with a nitrile.,N#Cc1c(CC(=O)[O-])cnc(C(F)C#N)c1CBr
DelComponent,Remove a CNC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(Br)cc3C)CC2)ccc1Cl from the molecule halo.,CNC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3ccccc3C)CC2)ccc1Cl
LogP,Please optimize the molecule CC[NH2+]C1(CC(=O)[O-])CCCC(C(F)(F)F)C1 to have a lower LogP value.,CC[NH2+]C1(CC(=O)[O-])CCCC(C(O)(F)F)C1
MR,Modify the molecule CN(C)C(=O)c1nc(-c2ccccn2)nc2c1OCCO2 to decrease its MR value.,Cc12c(nc(-c3ccccn3)nC1)OCCO2
QED,Modify the molecule CC(=CCC[NH+](C)C)CCC[NH2+]CCC[NH+](C)C to have a lower QED value.,C[NH+](C)CCC=C(CO)CCC[NH2+]CCC[NH+](C)C
AtomNum,"The molecule contains 7 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC1(O)CC(CO)OC1NC=O
BondNum,"The molecule consists of 8 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(F)cc1C(=O)CCc1cccc(N)c1
FunctionalGroup,"There is a molecule with 1 hydroxyl group, 1 amide group, 1 nitro group, 3 halo groups, and 1 sulfide group.",O=C(NCc1ccccn1)c1sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[n+]1O
AddComponent,Please add a hydroxyl to the molecule CCOc1ccccc1N1CCN(C(=O)C(C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1.,CCOc1ccccc1N1CCN(C(=O)C(C)NS(=O)(=O)c2c(C)c(C)cc(CO)c2C)CC1
SubComponent,Please substitute a halo in the molecule Clc1ccc(NC2CCC23CCCCC3)c(Br)c1 with a nitro.,ONc1ccc(NC2CCC23CCCCC3)c(Br)c1
DelComponent,Remove a halo from the molecule CC(C)C1=C2C3CCC4C5(C)CCC(OC(=O)CC(C)(C)C(=O)[O-])C(C)C5CCC4(C)C3(C)CCC2(C(O)c2nnc(-c3ccc(F)cn3)n2CC[NH+](C)C)CC1=O.,CC(C)C1=C2C3CCC4C5(C)CCC(OC(=O)CC(C)(C)C(=O)[O-])C(C)C5CCC4(C)C3(C)CCC2(C(O)c2nnc(-c3ccccn3)n2CC[NH+](C)C)CC1=O
LogP,Please optimize the molecule COc1ccc(F)cc1-c1nc(C(=O)[O-])c(C)[nH]1 to have a lower LogP value.,COc1ccc(O)cc1-c1nc(C(=O)[O-])c(C)[nH]1
MR,Please optimize the molecule COC(=O)c1sc(-c2cc(C)oc2C)c(C)c1N to have a lower MR value.,COC(=O)c1cc(C)c(-c2cc(C)oc2C)s1
QED,Please optimize the molecule O=C(Nc1ccnn1Cc1ccccc1Br)c1cccc2ccccc12 to have a higher QED value.,O=C(Nc1ccnn1Cc1ccccc1)c1cccc2ccccc12
AtomNum,"The molecule contains 17 carbon atoms, and 3 oxygen atoms.",OCC1OC1C1OC1C#CC#CC#Cc1ccccc1
BondNum,"The molecule has 10 single bonds, 2 double bonds, 3 rotatable bonds, and 40 aromatic bonds.",Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc(s4)c(-c4ccc(C)cc4)c4nc(cc5ccc2o5)C=C4)C=C3)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, 1 amide group, and 3 halo groups.",CCOC(=O)c1ccc(OC(F)(F)F)c(NC(=O)C[NH+]2CCN(C)CC2)c1
AddComponent,Add a benzene ring to the molecule CC(=O)CCC(C(C)=O)N1C(=O)c2ccccc2C1=O.,CC(=O)C(CC(C(C)=O)N1C(=O)c2ccccc2C1=O)c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule O=C(COc1cccnc1)N1CCC(O)(C[NH+]2CCOCC2)CC1 with a nitrile.,N#CC1(C[NH+]2CCOCC2)CCN(C(=O)COc2cccnc2)CC1
DelComponent,Please remove a benzene ring from the molecule Oc1cccc2ccc[n+](-c3cccc([B-](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c12.,Oc1cccc2ccc[n+](-c3cccc([B-](c4ccccc4)c4ccccc4)c3)c12
LogP,Modify the molecule C[NH+](C)CCOc1ccc(NCS)cc1 to have a lower LogP value.,C[NH+](C)CCOc1ccc(NCS)cc1O
MR,Optimize the molecule C=C(C)CCOc1nc(NCC)nc(OC(C)C)n1 to have a higher MR value.,C=C(CCOc1nc(NCC)nc(OC(C)C)n1)Cc1ccccc1
QED,Optimize the molecule COCCn1c(SCC(=O)Nc2ccccc2F)nc2c(c1=O)SC(C)C2 to have a lower QED value.,COCCn1c(SCC(=O)Nc2ccccc2O)nc2c(c1=O)SC(C)C2
AtomNum,"There is a molecule with 23 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CSc1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
BondNum,"There is a molecule composed of 25 single bonds, 2 double bonds, and 10 rotatable bonds.",CC[NH+](CC(=O)[O-])C1CC(NC(=O)NCC2(CCOC)CCCCC2)C1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ketone group, and 1 ester group.",CCOC(=O)c1c(C)[nH]c(C(=O)C(C)[n+]2cccc(-c3ccccc3)c2)c1C
AddComponent,Modify the molecule Cn1c(C=C2C(=O)NC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)nc2ccccc21 by adding a benzene ring.,Cn1c(C=C2C(=O)NC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)nc2c(-c3ccccc3)cccc21
SubComponent,Please substitute a CCOc1ccccc1NC(=O)C(=O)NN=Cc1cc(Cl)c(OC)c(OCC)c1 in the molecule halo with a nitrile.,CCOc1ccccc1NC(=O)C(=O)NN=Cc1cc(C#N)c(OC)c(OCC)c1
DelComponent,Modify the molecule benzene ring by removing a Oc1cccc(C2CCC[NH+](CC3COc4cccc(O)c4O3)C2)c1.,Oc1cccc2c1OC(C[NH+]1CCCC(O)C1)CO2
LogP,Modify the molecule Cc1ccc(C)c(OCC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 to have a lower LogP value.,Cc1ccc(C)c(OCC(=O)N2CCC(NS(=O)(=O)c3ccc(O)cc3)CC2)c1
MR,Modify the molecule CC(F)C(F)(F)[Si](O[Si](O[Si](C)(C)C)C(F)(F)C(C)F)O[Si](C)(C)C to have a lower MR value.,CCC(F)(F)[Si](O[Si](O[Si](C)(C)C)C(F)(F)C(C)F)O[Si](C)(C)C
QED,Please modify the molecule Clc1ccc(Oc2ccc3ncncc3c2)cc1 to increase its QED value.,Oc1cc(Cl)ccc1Oc1ccc2ncncc2c1
AtomNum,"The molecule consists of 19 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",CCn1cc[nH+]c1C1CCN(C(=O)c2ccccc2-n2cncn2)CC1
BondNum,"Please generate a molecule consisting 14 single bonds, 1 double bond, 9 rotatable bonds, and 5 aromatic bonds.",CCCC(CCBr)CNC(=O)c1cc(CC)nn1CC
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 4 amide groups, and 3 halo groups.",CCN(CC)C(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccccc3OC(F)(F)F)CC2)c1
AddComponent,Please add a hydroxyl to the molecule CC1(C)CN(C(=O)Nc2cccc(F)c2)C2(S1)C(=O)Nc1ccc(Cl)cc12.,CC1(C)CN(C(=O)Nc2cc(O)cc(F)c2)C2(S1)C(=O)Nc1ccc(Cl)cc12
SubComponent,Please substitute a halo in the molecule COCC(C)(C)CNC(=O)c1nc(NC2CCCCC2[NH+]=C(C)N)c2cc(F)ccc2n1 with a aldehyde.,CC(=O)c1ccc2nc(C(=O)NCC(C)(C)COC)nc(NC3CCCCC3[NH+]=C(C)N)c2c1
DelComponent,Please remove a O=C1c2oc3ccccc3c(=O)c2C2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1CCCO from the molecule benzene ring.,O=C1c2oc3ccccc3c(=O)c2C2(C(=O)N(CF)c3ccccc32)N1CCCO
LogP,Please modify the molecule C[NH+]=C(NCC(=O)N(C)CC(F)(F)F)NC1CCN(CC(F)F)CC1 to decrease its LogP value.,C[NH+]=C(NCC(=O)N(C)CC(F)F)NC1CCN(CC(F)F)CC1
MR,Please modify the molecule CCC(C)N(CC1C[NH+](Cc2cccc(F)c2F)CCO1)C(=O)c1ccc2c(c1)OCO2 to increase its MR value.,CCC(C)N(CC1(N)C[NH+](Cc2cccc(F)c2F)CCO1)C(=O)c1ccc2c(c1)OCO2
QED,Modify the molecule CCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C to increase its QED value.,CCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",COc1ccc2c(c1)c(C=NNc1nc3ccccc3[nH]1)c(C)n2C
BondNum,"The molecule contains 5 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",CCOC(=O)c1ncoc1-c1ccno1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, and 1 sulfone group.",COc1ccc(NC(=O)c2cccc(S(=O)(=O)NCCC[NH+](C)C)c2)cc1
AddComponent,Add a hydroxyl to the molecule CC(C)(C)OC(=O)N1CCN(c2ccnc(N)c2)S1(=O)=O.,CC(C)(C)OC(=O)N1CCN(c2ccnc(N)c2O)S1(=O)=O
SubComponent,Please substitute a CCCCCCN(CCCCCCn1cc(CO)nn1)C(C)=O in the molecule hydroxyl with a nitro.,CCCCCCN(CCCCCCn1cc(CNO)nn1)C(C)=O
DelComponent,Modify the molecule amine by removing a CCn1cc(S(=O)(=O)NCCCCO)cc1C(=O)[O-].,CCn1cc(S(=O)(=O)CCCCO)cc1C(=O)[O-]
LogP,Please optimize the molecule C=C1c2ccccc2C(=O)N1C(C)C(=O)N(C)Cc1ccccc1 to have a lower LogP value.,C=C1c2ccccc2C(=O)N1C(C)(C(=O)O)C(=O)N(C)Cc1ccccc1
MR,Optimize the molecule CC(C)C(O)C1[NH2+]CCc2c1ccc1ccccc21 to have a higher MR value.,CC(C)C(C(=O)[OH])C1[NH2+]CCc2c1ccc1ccccc21
QED,Modify the molecule CC(C)(C)CCC(c1ccc(C(=O)NCC(N)=[NH2+])cc1)N1C(=O)C(c2ccc3c(c2)OC(F)(F)O3)[NH2+]C12CCC(C(C)(C)C)CC2 to have a lower QED value.,CC(C)(C)CCC(c1ccc(C(=O)NCC(N)=[NH2+])cc1)N1C(=O)C(c2ccc3c(c2)OC(F)(F)O3)[NH2+]C12CCC(C(C)(C)C)CC2c1ccccc1
AtomNum,"The molecule has 7 carbon atoms, 4 oxygen atoms, 1 sulfur atom, and 1 fluorine atom.",C=COCCCOCCS(=O)(=O)F
BondNum,"There is a molecule consisting of 23 single bonds, 2 double bonds, 6 rotatable bonds, and 10 aromatic bonds.",COC(=O)c1c(NC(=S)NCCCn2nc(C(F)(F)F)c(Br)c2C)sc2c1CCCCCC2
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",C[NH2+]C(CO)COc1ccccc1F
AddComponent,Please add a carboxyl to the molecule c1ccc(-c2cccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1.,O=C(O)c1cccc2sc3c(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cccc3c12
SubComponent,Please substitute a hydroxyl in the molecule O=S(Cc1ccc(CO)cc1)CC1CCCCC1 with a halo.,O=S(Cc1ccc(CBr)cc1)CC1CCCCC1
DelComponent,Remove a benzene ring from the molecule O=C(OC1CCc2ccc3ccccc3c2C1)c1ccccc1.,O=COC1CCc2ccc3ccccc3c2C1
LogP,Please optimize the molecule CN(C)c1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cc1N to have a higher LogP value.,CN(C)c1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cc1
MR,Modify the molecule Cc1ccc(CNC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1 to decrease its MR value.,Cc1ccc(C2CCN(c3nc(C)cc(C)n3)CC2)cc1
QED,Modify the molecule CCOCC1(O)CC2CCC(C1)[NH2+]2 to have a higher QED value.,CCOCC1CC2CCC(C1)[NH2+]2
AtomNum,"The molecule contains 17 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1cccc(N2CC[NH+](CC(O)COC(C)C)CC2)c1
BondNum,"The molecule consists of 5 single bonds, 3 rotatable bonds, and 17 aromatic bonds.",Clc1ccccc1C(Br)Cc1cccc2ccccc12
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 3 halo groups, and 1 nitrile group.",CNC(=O)C(C#N)=Cc1ccc(-c2ccccc2C(F)(F)F)o1
AddComponent,Modify the molecule CCCc1nc2ccc(C(=O)OCC)cc2n1Cc1ccccc1 by adding a hydroxyl.,CCCc1nc2ccc(C(=O)OCC)cc2n1C(O)c1ccccc1
SubComponent,Substitute a halo in the molecule NC(=[NH2+])N1CCC(CNC(=O)C(C2CCCCC2)N(CC(Cc2ccc(C[NH3+])cc2)c2cccc(C(F)(F)F)c2)C(=O)C(F)(F)F)CC1 with a carboxyl.,NC(=[NH2+])N1CCC(CNC(=O)C(C2CCCCC2)N(CC(Cc2ccc(C[NH3+])cc2)c2cccc(C(F)(F)C(=O)[OH])c2)C(=O)C(F)(F)F)CC1
DelComponent,Remove a CCOc1ccc(C2C(c3cccc(OC)c3OCC)=C(O)C(=O)N2c2ccc(C)cc2C)cc1OCC from the molecule benzene ring.,CCOc1ccc(C2C(c3cccc(OC)c3OCC)=C(O)C(=O)N2CC)cc1OCC
LogP,Please modify the molecule Nc1ccc(Cl)cc1CCC1CCCC[NH2+]1 to decrease its LogP value.,NC(Cl)CC1CCCC[NH2+]1
MR,Please optimize the molecule CN(Cc1ccc(Cl)s1)C(=O)COC(=O)C1CCCCN1S(=O)(=O)c1ccccc1 to have a higher MR value.,CN(Cc1ccc(C(=O)[OH])s1)C(=O)COC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
QED,Optimize the molecule C=C1COC2(O)C(O)C(C)C3CC(=O)C(C)=CC3C12O to have a higher QED value.,C=C1COC2(O)C(O)C(C)C3CC(=O)C(C)=CC3C12
AtomNum,"The molecule has 27 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",COC(=O)C1=CN(C2CCCC2)C=C(C(=O)OC)C1c1ccc(OCc2ccccc2)cc1
BondNum,"The molecule is composed of 17 single bonds, and 6 rotatable bonds.",CCC[NH2+]C(C)(CO)CN1CCC(C)C(C)C1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 2 amide groups, and 1 sulfone group.",C[NH2+]C(C)C(=O)NC(C(=O)N1CCCC1CN(CCc1ccccc1)S(=O)(=O)Cc1ccccc1)C(C)(C)C
AddComponent,Modify the molecule CC(=O)C(Cc1ccc2ccc(CC(C(C)=O)C(C)=O)cc2c1)C(C)=O by adding a benzene ring.,CC(=O)C(Cc1ccc2ccc(C(c3ccccc3)C(C(C)=O)C(C)=O)cc2c1)C(C)=O
SubComponent,Substitute a CNc1ccc([N+](=O)[O-])c(N2CCOCC2C)n1 in the molecule nitro with a thiol.,CNc1ccc([SH]=O)c(N2CCOCC2C)n1
DelComponent,Remove a halo from the molecule O=C(OCc1nc(-c2cccc(Br)c2)no1)c1cc(Cl)c2c(c1)OCO2.,O=C(OCc1nc(-c2ccccc2)no1)c1cc(Cl)c2c(c1)OCO2
LogP,Modify the molecule COc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1OC to have a higher LogP value.,COc1cc(-c2oncc2-c2ccc(OC)c(OC)c2-c2ccccc2)cc(OC)c1OC
MR,Modify the molecule Cc1cc(C(=O)N2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)on1 to decrease its MR value.,CCN(C(=O)CCC(=O)N1CCN(C(=O)c2cc(C)no2)CC1)c1ccccc1
QED,Please optimize the molecule CCC[NH2+]CC1CCC(O)C1 to have a higher QED value.,CCC[NH2+]CC1CCCC1
AtomNum,"The molecule has 16 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",O=C(CCCNC(=O)c1ccco1)Nc1nc2ccccc2[nH]1
BondNum,"Please generate a molecule consisting 17 single bonds, 1 double bond, and 9 rotatable bonds.",CCN(CC)C(=O)CC[NH2+]CCCC1CCCO1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, 1 halo group, 2 thioether groups, and 1 sulfide group.",CCSCCC(Nc1ccc(Cl)cc1)C(=O)[O-]
AddComponent,Add a aldehyde to the molecule CC(C)Cn1ccnc(NC2(C[NH3+])CCCC(C)C2)c1=O.,CC1CCCC(C[NH3+])(Nc2nccn(C(CC=O)C(C)C)c2=O)C1
SubComponent,Substitute a [NH3+]C(Cc1nccs1)c1ccc(Cl)cc1F in the molecule halo with a nitrile.,N#Cc1ccc(C([NH3+])Cc2nccs2)c(F)c1
DelComponent,Modify the molecule nitro by removing a CCc1cc(N2CCCC(Nc3cc(Cl)c(C(=O)OC)cc3[N+](=O)[O-])C2)ncn1.,CCc1cc(N2CCCC(Nc3([O-])cc(Cl)c(C(=O)OC)c-3O)C2)ncn1
LogP,Please optimize the molecule Cc1ccc(Nc2nc3cc(O)ccc3n2C)cc1-c1ccnc(F)c1 to have a higher LogP value.,Cc1ccc(Nc2nc3ccccc3n2C)cc1-c1ccnc(F)c1
MR,Modify the molecule CCCNC(=O)CCN(Cc1ccccc1)c1ccccc1 to decrease its MR value.,CCCNC(=O)CCN(C)c1ccccc1
QED,Modify the molecule CC(NC(=O)c1ccc2c(ccn2C)c1)C1=CCCC=C(C2OC2Nc2cc(C(F)(F)F)c(Cl)cn2)S1 to increase its QED value.,CC(NC(=O)c1ccc2c(ccn2C)c1)C1=CCCC=C(C2OC2c2cc(C(F)(F)F)c(Cl)cn2)S1
AtomNum,"The molecule contains 22 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",CC(NC(=O)N1CC2CC(c3ccccc3)CC2C1)c1ccc(Cl)cc1
BondNum,"Please generate a molecule consisting 12 single bonds, 5 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc([O-])c([N+](=O)[O-])c1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amide group.",CCN(c1ccccc1)c1ccc(C(=O)NCC(C)C)nc1
AddComponent,Add a benzene ring to the molecule C#CC(CC)Nc1c(C#N)c[nH+]c2ccccc12.,CCC(C#Cc1ccccc1)Nc1c(C#N)c[nH+]c2ccccc12
SubComponent,Substitute a CC(C)(C)C1CC(C(=O)Nc2ccc(Br)cc2)CC(C(C)(C)C)C1 in the molecule halo with a nitro.,CC(C)(C)C1CC(C(=O)Nc2ccc(NO)cc2)CC(C(C)(C)C)C1
DelComponent,Please remove a amide from the molecule O=C(c1nc2cccnc2n(Cc2ccccc2)c1=O)N1CCN(C(=O)C2CCCC2)CC1.,O=C(c1nc2cccnc2n(Cc2ccccc2)c1=O)N1CCC(C2CCC2)C1
LogP,Modify the molecule CCOc1cc(C=C(C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccccc1Cl to decrease its LogP value.,CCOc1cc(C=C(C#N)c2cccc(C#N)c2)cc(Cl)c1OCc1ccccc1Cl
MR,Optimize the molecule Clc1ccc2sc(SCCCc3nc(-c4ccncc4)no3)nc2c1 to have a lower MR value.,c1ccc2sc(SCCCc3nc(-c4ccncc4)no3)nc2c1
QED,Please optimize the molecule COc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)NC4CCCCC4C)c3C)CC2)cc1NC(=O)C(C)C to have a lower QED value.,COc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)NC4CCCCC4CO)c3C)CC2)cc1NC(=O)C(C)C
AtomNum,"There is a molecule composed of 11 carbon atoms, 2 oxygen atoms, and 1 sulfur atom.",Cc1ccc(S(=O)(=O)CC(C)C)cc1
BondNum,"There is a molecule composed of 6 single bonds, 2 double bonds, 5 rotatable bonds, and 32 aromatic bonds.",O=C(C=Cc1ccc(-c2ccccc2)o1)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, and 1 sulfide group.",CCCc1nc(-c2ccc(OCC[NH+](C)C)c(N)c2)cs1
AddComponent,Please add a hydroxyl to the molecule CC(=O)Nc1nc(C)c(S(=O)(=O)N(C)C2CC[NH+](CCNC(=O)Nc3cc(C)nc4ccccc34)C2)s1.,CC(=O)Nc1nc(C)c(S(=O)(=O)N(C)C2CC[NH+](C(O)CNC(=O)Nc3cc(C)nc4ccccc34)C2)s1
SubComponent,Please substitute a halo in the molecule NC(=O)c1c(Br)nc2n(C3OC(COC(=O)c4ccccc4)C(O)C3O)cnc(N)c1-2 with a nitrile.,N#Cc1nc2n(C3OC(COC(=O)c4ccccc4)C(O)C3O)cnc(N)c-2c1C(N)=O
DelComponent,Modify the molecule amine by removing a CCN(C(C)=O)c1nc(COC(=O)c2cc(S(N)(=O)=O)ccc2Br)cs1.,CCN(C(C)=O)c1nc(COC(=O)c2cc([SH](=O)=O)ccc2Br)cs1
LogP,Modify the molecule O=C(Cc1csc2[nH+]c(-c3ccccc3)cn12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 to increase its LogP value.,O=C(Cc1csc2[nH+]c(-c3ccc(-c4ccccc4)cc3)cn12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
MR,Please modify the molecule CCCCCC(CC)OS(=O)[O-] to increase its MR value.,CCCCCC(OS(=O)[O-])C(C)N
QED,Optimize the molecule COCCOc1cccc(NC(C)CCC(=O)[O-])c1 to have a lower QED value.,COCCONC(C)CCC(=O)[O-]
AtomNum,"There is a molecule with 18 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",O=C([O-])c1cn(Cc2ccccc2Cl)n(-c2ccc(C(F)(F)F)cc2)c1=O
BondNum,"The molecule consists of 27 single bonds, 9 double bonds, 12 rotatable bonds, and 12 aromatic bonds.",COC(=O)C(C(=O)OC(CO)(C(=O)[O-])C(=O)C(C(=O)OC)=C(C(=O)OC)c1ccc(O)c(O)c1)=C(C(=O)OC)c1ccc(O)c(O)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 2 amine groups.",COc1ccc(N2CCN(C(=O)CCC3C(C)NNC3C)CC2)cc1
AddComponent,Add a benzene ring to the molecule CC1=C(C(=O)Nc2ccccc2)C(c2ccsc2)C(C#N)C(SCC(=O)Nc2cccc(Cl)c2)=N1.,CC1=C(C(=O)Nc2ccc(-c3ccccc3)cc2)C(c2ccsc2)C(C#N)C(SCC(=O)Nc2cccc(Cl)c2)=N1
SubComponent,Please substitute a Cn1ncc2c1CCCC2NC(=O)NCCNc1ncc(Cl)cc1Cl in the molecule halo with a thiol.,Cn1ncc2c1CCCC2NC(=O)NCCNc1ncc(S)cc1Cl
DelComponent,Modify the molecule benzene ring by removing a C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(OCc2ccncc2)cc1.,C[NH+](C)CC(C)(C)C[NH2+]COCc1ccncc1
LogP,Please optimize the molecule COc1cc(CNc2ccc(Br)cc2Cl)cc(Cl)c1OC to have a lower LogP value.,COc1cc(CNc2ccc(C#N)cc2Cl)cc(Cl)c1OC
MR,Modify the molecule CCC[NH+]1CC(C(=O)PS)CC2c3cccc4[nH]cc(c34)CC21 to have a lower MR value.,CCC[NH+]1CC(C(=O)P)CC2c3cccc4[nH]cc(c34)CC21
QED,Modify the molecule CCn1nc(C)cc1C(=O)N1CCCC1CCCBr to have a lower QED value.,CCn1nc(CS)cc1C(=O)N1CCCC1CCCBr
AtomNum,"The molecule has 13 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",C=C(N=Nc1ccc(N(C)C)cc1)SC=C[NH2+]C
BondNum,"There is a molecule consisting of 15 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC1(C)C(OCc2ccccc2)C2C(C=O)CC(=O)OC21
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,O=C([O-])Cn1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)n1
AddComponent,Add a amine to the molecule CCOc1ccc(N)cc1CSc1ncccc1Br.,CCOc1ccc(N)c(N)c1CSc1ncccc1Br
SubComponent,Please substitute a halo in the molecule O=S(=O)(c1ccc(Cl)s1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1 with a thiol.,O=S(=O)(c1ccc(S)s1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1
DelComponent,Remove a C=C(C)C[NH+]=C(NCCCOCC)NCCc1ccco1 from the molecule amine.,C=C(C)C[NH+]=C(CCCOCC)NCCc1ccco1
LogP,Modify the molecule Brc1ccc(SCC2CO2)cc1 to have a lower LogP value.,Oc1ccc(SCC2CO2)cc1
MR,Please optimize the molecule CC(C)(C)c1nc(C(=O)[O-])c2ccc(O)cn12 to have a higher MR value.,CC(C)(C)c1nc(C(=O)[O-])c2ccc(C#N)cn12
QED,Please optimize the molecule COc1cc(C(=O)NCC(C)C)c(Br)c(OC)c1OC to have a lower QED value.,COc1cc(C(=O)NCC(C)C)c(NO)c(OC)c1OC
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 chlorine atom, and 1 bromine atom.",COc1cc(Cl)c(NC(=O)CBr)cc1OC
BondNum,"There is a molecule with 9 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CNC(=O)c1ccc(CN(C)C(=O)c2ccn(C)c(=O)c2)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 2 halo groups.",CC(C)(C)OC(=O)Nc1c[n+](Cc2ccc(Cl)cc2Cl)no1
AddComponent,Please add a carboxyl to the molecule CCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1.,CCC(CCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1)C(=O)O
SubComponent,Modify the molecule halo by substituting a CCCNC(=O)c1cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)CC2)ccc1Br with a thiol.,CCCNC(=O)c1cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)CC2)ccc1S
DelComponent,Modify the molecule CCN(CCC([NH3+])C(=O)[O-])c1ccccc1F by removing a benzene ring.,CCN(F)CCC([NH3+])C(=O)[O-]
LogP,Please optimize the molecule CCC(CC)C1CCCC(c2ccc(OC)cc2)C1O to have a higher LogP value.,CCC(CC)C1CCCC(c2ccc(OC)cc2)C1C(=O)[OH]
MR,Modify the molecule Cc1nnc2n1CC(C(=O)[O-])N(C(=O)c1cc3cc(F)ccc3s1)C2 to increase its MR value.,Cc1nnc2n1CC(C(=O)[O-])N(C(=O)c1cc3cc(C#N)ccc3s1)C2
QED,Optimize the molecule O=C(NC1C[NH2+]C1)c1ccc(O)cc1F to have a lower QED value.,O=C([OH])c1cc(O)ccc1C(=O)NC1C[NH2+]C1
AtomNum,"There is a molecule composed of 13 carbon atoms, and 3 nitrogen atoms.",[NH3+]CCCCCCCCCCn1cccn1
BondNum,"The molecule is composed of 9 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC[NH+](C)CCNc1nc(Cl)ncc1F
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",O=c1cc(N2CC[NH+](Cc3ccccc3Br)CC2)[nH]cn1
AddComponent,Modify the molecule CN(CC(O)C[NH2+]C(C)(C)CC1Cc2ccccc2C1)S(=O)(=O)c1ccc(Br)c(Cl)c1 by adding a carboxyl.,CN(CC(O)C[NH2+]C(C)(C)CC1Cc2ccccc2C1)S(=O)(=O)c1cc(Cl)c(Br)c(C(=O)O)c1
SubComponent,Please substitute a halo in the molecule Cc1ccc(-c2csc3ncnc(Nc4ccc(F)c(Cl)c4)c23)cc1 with a nitrile.,Cc1ccc(-c2csc3ncnc(Nc4ccc(C#N)c(Cl)c4)c23)cc1
DelComponent,Modify the molecule COc1ccc(OC)c(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 by removing a benzene ring.,COc1ccc(OC)c(C=NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1
LogP,Modify the molecule NC(=S)C1(C(=O)NCCC(=O)N2CCCC2)CCC1 to have a lower LogP value.,NC(=S)C1(C(=O)NCCC(=O)N2CCCC2C(=O)O)CCC1
MR,Optimize the molecule CC([NH3+])c1cc(Br)sc1CCl to have a lower MR value.,CC([NH3+])c1cc(C(=O)[OH])sc1CCl
QED,Modify the molecule Cc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)CCNC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)N(C)C)ccc4Cl)CC3)c2)cc1 to have a lower QED value.,Cc1ccc(C(=O)Nc2ccc(NO)c(NC(=O)CCNC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)N(C)C)ccc4Cl)CC3)c2)cc1
AtomNum,"The molecule is composed of 23 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC[NH+](CC)CCCCNC(=O)c1sc2ncn(Cc3ccccc3)c(=O)c2c1C
BondNum,"Please generate a molecule consisting 7 single bonds, 1 double bond, 4 rotatable bonds, and 22 aromatic bonds.",CN(C)c1ccc(C(=O)Nc2ccccc2-c2nc3ccncc3o2)cc1
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,COc1ccccc1OCNC(=O)Nc1cccc2ccccc12
AddComponent,Modify the molecule COc1cc(C=NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OC(=O)c1cccnc1 by adding a hydroxyl.,COc1cc(C=NN2CC[NH+](C(c3ccccc3)c3ccccc3O)CC2)ccc1OC(=O)c1cccnc1
SubComponent,Modify the molecule CN(C(=O)OCCCc1ccc(Br)cc1)c1ccccc1 by substituting a halo with a hydroxyl.,CN(C(=O)OCCCc1ccc(O)cc1)c1ccccc1
DelComponent,Modify the molecule amine by removing a CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1C(N)=[N+](C)C)[N+](=O)[O-].,CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1C=[N+](C)C)[N+](=O)[O-]
LogP,Please optimize the molecule NS(=O)(=O)c1cccc(NCc2cnccn2)c1 to have a lower LogP value.,NS(=O)(=O)c1cc(NCc2cnccn2)ccc1O
MR,Modify the molecule CCC(C)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2C1=O to decrease its MR value.,CCC(C)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(O)c(Cl)c3)cc2C1=O
QED,Modify the molecule CC12CCC(SCC3CO3)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O to decrease its QED value.,CC12CCC(SCC3CO3)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12
AtomNum,"There is a molecule consisting of 16 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",O=C(NCc1cnc(N2CCOCC2)c(F)c1)NC1CCOCC1
BondNum,"There is a molecule with 11 single bonds, 2 double bonds, and 3 rotatable bonds.",C=C(Cl)CNC(=O)C1CCC([NH3+])C1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 halo group.",O=C(NCC[NH+]1CCOCC1)c1ccc2nn(Cc3ccccc3Cl)cc2c1
AddComponent,Please add a amine to the molecule COC(=O)C1CCCCn2c(C(=O)c3cccs3)ccc21.,COC(=O)C1CCCCn2c1cc(N)c2C(=O)c1cccs1
SubComponent,Substitute a halo in the molecule O=C(c1cc[nH]c(=O)c1)N1CC[NH+](CCCl)CC1 with a hydroxyl.,O=C(c1cc[nH]c(=O)c1)N1CC[NH+](CCO)CC1
DelComponent,Modify the molecule Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NC(=O)C(NC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)N3CCCC(C)C3)c2C)CC1)C(C)C by removing a benzene ring.,Cc1cc(C(=O)N(F)F)ccc1NC(=O)C(NC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)N3CCCC(C)C3)c2C)CC1)C(C)C
LogP,Optimize the molecule O=C(CSc1nc2ccccc2s1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 to have a higher LogP value.,O=S(=O)(c1ccc2c(c1)CCC2Sc1nc2ccccc2s1)N1CCCC1
MR,Please modify the molecule CCOCCCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)C(C)(C)CCl to decrease its MR value.,CCOCCCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)C(C)(C)C
QED,Please modify the molecule Cc1ccc(F)cc1NC(=O)c1cccc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC(C)C)c3)CC2)C(C)C)c1 to increase its QED value.,Cc1ccc(F)cc1NC(=O)c1cccc(C(C)(C)NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC(C)C)c3)CC2)c1
AtomNum,"Please generate a molecule with 24 carbon atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CCCCCCCCCCCN(Sc1nc2ccccc2s1)c1ccccc1
BondNum,"The molecule is composed of 3 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(Sc2ccccc2)s1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 halo group, and 1 nitrile group.",N#CN(C(=O)OCc1ccccc1)C1CCC(CCl)CC1
AddComponent,Modify the molecule [NH3+]CC1(CC(=O)Nc2cc(C(=O)[O-])ccc2F)CCC1 by adding a carboxyl.,[NH3+]CC1(CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)O)c2F)CCC1
SubComponent,Modify the molecule CC(C)(C)c1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 by substituting a hydroxyl with a carboxyl.,CC(C)(C)c1ccc(C(=O)CC2(C(=O)[OH])C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1
DelComponent,Please remove a hydroxyl from the molecule CCC(C(C)O)C1CC(OC(C)=O)CCC1(C)C(C)CCC1(C)C(C)CCC1C(C)CC=C(c1ccccc1)c1ccccc1.,CCC(CC)C1CC(OC(C)=O)CCC1(C)C(C)CCC1(C)C(C)CCC1C(C)CC=C(c1ccccc1)c1ccccc1
LogP,Please optimize the molecule C=C(C)CCc1cc(C)ccc1-c1ccc(-c2ccccc2)c(CC)c1 to have a higher LogP value.,C=C(C)CCc1cc(C)c(-c2ccccc2)cc1-c1ccc(-c2ccccc2)c(CC)c1
MR,Please optimize the molecule Cc1sc2nc(CSC(C)C(=O)NC(C)c3ccc(Cl)cc3)[nH]c(=O)c2c1C to have a higher MR value.,Cc1sc2nc(CSC(C)C(=O)NC(C)c3ccc(NO)cc3)[nH]c(=O)c2c1C
QED,Please optimize the molecule CC(C)Oc1ccc(C(=O)N(C)C(C)(C)CO)cc1 to have a lower QED value.,CC(C)Oc1ccc(C(=O)N(C)C(C)(C)CC#N)cc1
AtomNum,"There is a molecule with 13 carbon atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cc1nn(C)c(NCCc2cccnc2)c1C(N)=S
BondNum,"The molecule has 11 single bonds, 2 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",CCN(CC)S(=O)(=O)c1ccc2oc(Nc3cc(C)ccc3OC)nc2c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 hydroxyl group, and 1 halo group.",CCc1c(C)nc(-c2ccccc2O)n(CCc2cccc(F)c2)c1=O
AddComponent,Add a hydroxyl to the molecule CCCCCCCCCC([NH3+])CCOC.,COCCC([NH3+])CCCCCCCC(C)O
SubComponent,Please substitute a C=CCN(C(=O)CNC(=O)C1(C(C)CC)NC(=O)CCCC1=O)C(CC(C)C)C(O)CC(=O)NC in the molecule hydroxyl with a nitro.,C=CCN(C(=O)CNC(=O)C1(C(C)CC)NC(=O)CCCC1=O)C(CC(C)C)C(CC(=O)NC)NO
DelComponent,Remove a benzene ring from the molecule O=C(C1C[NH+](Cc2ccccc2)CCO1)N1CCn2ccnc2C1.,C[NH+]1CCOC(C(=O)N2CCn3ccnc3C2)C1
LogP,Please optimize the molecule Cc1cc(C(C(C)C)C(C)O)nc(C(C)C)n1 to have a higher LogP value.,Cc1cc(C(C(C)C)C(C)C#N)nc(C(C)C)n1
MR,Modify the molecule COc1cc(OC)cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 to increase its MR value.,COc1cc(OC)c(-c2ccccc2)c(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
QED,Please modify the molecule FC(F)(F)c1cccc(COc2cccc(COc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)c2)c1 to increase its QED value.,FC(F)(F)c1cccc(COCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)c1
AtomNum,"There is a molecule consisting of 16 carbon atoms, and 4 nitrogen atoms.",CCCn1c(C2[NH2+]CC3CCCC32)nc2cnccc21
BondNum,"There is a molecule with 7 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",C=C(C=O)Cc1ccccc1C(F)(F)F
FunctionalGroup,"Please generate a molecule consisting 1 amide group, 1 halo group, and 1 sulfone group.",C[NH+](C)CC(=O)N1CCN(S(=O)(=O)CCCl)CC1
AddComponent,Please add a hydroxyl to the molecule O=C([O-])CC(c1ccc[nH]1)C1CCOCC1.,O=C([O-])CC(c1cc(O)c[nH]1)C1CCOCC1
SubComponent,Substitute a hydroxyl in the molecule Cc1nn(C)c2ncc(NC(=O)c3cc4c(cc3O)OCO4)cc12 with a thiol.,Cc1nn(C)c2ncc(NC(=O)c3cc4c(cc3S)OCO4)cc12
DelComponent,Modify the molecule hydroxyl by removing a CC1C(C)C2(C)C1C(O)C21CC1.,CC1C(C)C2(C)C1CC21CC1
LogP,Modify the molecule O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(C3=NCCO3)c2)c(Br)c1 to have a lower LogP value.,O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(C3=NCCO3)c2)c(Br)c1O
MR,Please modify the molecule CC(=O)OCC1OC2(OCOc3ccc(Cc4ccccc4)cc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O to decrease its MR value.,CC(=O)OCC1OC2(OCOc3ccc(C)cc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
QED,Optimize the molecule FCCCCCCCCCC(Br)Br to have a lower QED value.,SCCCCCCCCCC(Br)Br
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",COC(=O)c1ccccc1N1C(=O)C(=Cc2cccc(O)c2)SC1=S
BondNum,"The molecule is composed of 10 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CC(CO)CCCNC(=O)c1ccnc(F)c1
FunctionalGroup,"There is a molecule with 1 hydroxyl group, 1 amide group, and 1 halo group.",O=C(NC1(CO)CCCCC1)c1cccc(Br)n1
AddComponent,Please add a amine to the molecule CCC=C(CC)C(=O)Nc1ccc(C(N)=[NH+]C(=O)C(NC(=O)OC(C)(C)C)C(C)C)cc1.,CCC=C(CC)C(=O)Nc1ccc(C(N)=[NH+]C(=O)C(NC(=O)OC(C)(C)CN)C(C)C)cc1
SubComponent,Please substitute a halo in the molecule COc1ccc(Cl)cc1C(=O)Cc1nc(C)cs1 with a thiol.,COc1ccc(S)cc1C(=O)Cc1nc(C)cs1
DelComponent,Modify the molecule nitrile by removing a Cc1ccc(C2N3CCN(Cc4ccc(Cl)nc4)C3C([N+](=O)[O-])C(c3ccco3)C2(C#N)C#N)cc1.,Cc1ccc(C2C(C#N)C(c3ccco3)C([N+](=O)[O-])C3N(Cc4ccc(Cl)nc4)CCN23)cc1
LogP,Modify the molecule Nc1c2c([nH+]c3c1C(c1cccc(F)c1)c1c(c4ccccc4oc1=O)O3)CCCC2 to decrease its LogP value.,Nc1c2c([nH+]c3c1C(c1cccc(F)c1)c1c(c4ccccc4oc1=O)O3)CC(O)CC2
MR,Modify the molecule COc1ccc(C)nc1NC(=O)c1cnc(Cc2ccccc2)s1 to decrease its MR value.,COc1ccc(C)nc1NC(=O)c1cnc(C)s1
QED,Modify the molecule Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)CNC(=O)c2ccco2)c2cccc(C(F)(F)F)c2)cc1 to have a lower QED value.,Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)CNC(=O)c2ccco2)c2cccc(C(F)(F)NO)c2)cc1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Cc1ccc(C(=O)N2CCCC3CCCC32)n1C
BondNum,"The molecule contains 6 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",O=Cc1cc2c(cc1Cl)CCC2
FunctionalGroup,"There is a molecule with 1 amine group, and 1 sulfide group.",Cc1nnc(-c2c(N)sc3c2CCCC3)o1
AddComponent,Add a carboxyl to the molecule [NH3+]CC(=O)c1nsc2ccc(F)cc12.,[NH3+]CC(=O)c1nsc2ccc(F)c(C(=O)O)c12
SubComponent,Substitute a halo in the molecule CN(Cc1ccncc1)c1ncc(C(=O)[O-])cc1Cl with a nitrile.,CN(Cc1ccncc1)c1ncc(C(=O)[O-])cc1C#N
DelComponent,Modify the molecule nitrile by removing a N#CCN1CC[NH+](CC2Cc3ccccc3S2)CC1.,CN1CC[NH+](CC2Cc3ccccc3S2)CC1
LogP,Please modify the molecule CC(C)C[NH+]1CCC(CNC(=O)N2CCCCC2CCO)C1 to increase its LogP value.,CC(C)C[NH+]1CCC(CNC(=O)N2CCCCC2CCC(=O)[OH])C1
MR,Please modify the molecule CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Cl)ccc1N(C(C)=O)C2c1ccc(N(C)C)cc1 to decrease its MR value.,CSc1n[n+]2c(c(=O)[nH]1)-c1cc(C#N)ccc1N(C(C)=O)C2c1ccc(N(C)C)cc1
QED,Modify the molecule Cc1oc(C)c(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)c1Br to increase its QED value.,CCCC(=O)N1CCN(C(=O)c2c(C)oc(C)c2Br)CC1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, and 4 nitrogen atoms.",CN=C(N[NH3+])N1CCCC12CCCC2
BondNum,"The molecule has 21 single bonds, 1 double bond, 8 rotatable bonds, and 12 aromatic bonds.",CCNC(NCC[NH+]1CCN(c2ncccn2)CC1)=[NH+]CC1(c2ccccc2)CCC1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 5 amide groups.",Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1
AddComponent,Add a hydroxyl to the molecule COc1cccc(S(=O)c2c([O-])c(-c3cccnc3)cc3ccccc23)c1.,COc1cc(S(=O)c2c([O-])c(-c3cccnc3)cc3ccccc23)ccc1O
SubComponent,Modify the molecule Cc1cc(F)cc(C)c1C([NH3+])c1cc(F)cc(Br)c1 by substituting a halo with a aldehyde.,CC(=O)c1cc(C)c(C([NH3+])c2cc(F)cc(Br)c2)c(C)c1
DelComponent,Modify the molecule [NH3+]C(CCC(=O)[O-])c1cc2c(cc1O)OCCO2 by removing a hydroxyl.,[NH3+]C(CCC(=O)[O-])c1ccc2c(c1)OCCO2
LogP,Optimize the molecule Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OC(C(N)=O)c3ccccc3)c2n1 to have a higher LogP value.,Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Oc3ccccc3)c2n1
MR,Optimize the molecule COCCCNC(=O)C1CCC(C(=O)N2CCC(C)CC2)CC1 to have a higher MR value.,COCCCNC(=O)C1CCC(C(=O)N2CCC(C)CC2)C(c2ccccc2)C1
QED,Please optimize the molecule CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 to have a higher QED value.,CC1(O)CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1
AtomNum,"The molecule has 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC1Cc2sccc2C1N(C)C(=O)OC(C)(C)C
BondNum,"There is a molecule consisting of 10 single bonds, 2 double bonds, 7 rotatable bonds, and 22 aromatic bonds.",CSc1ncccc1C(=O)NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, 2 halo groups, 1 thioether group, and 2 sulfide groups.",CC(Sc1nncs1)C(=O)Nc1c(N)cc(Cl)cc1Cl
AddComponent,Modify the molecule NC(=O)C([NH3+])C(=O)Nc1ccc(N2CCOCC2=O)cc1C(F)F by adding a benzene ring.,NC(=O)C([NH3+])(C(=O)Nc1ccc(N2CCOCC2=O)cc1C(F)F)c1ccccc1
SubComponent,Substitute a halo in the molecule CCCOc1c(Br)cc(C=C2SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OCC with a nitrile.,CCCOc1c(C#N)cc(C=C2SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OCC
DelComponent,Modify the molecule benzene ring by removing a COC(=O)Cc1ccc(OC2CCN(C(=O)OC(C)(C)C)C2)cc1.,COC(=O)COC1CCN(C(=O)OC(C)(C)C)C1
LogP,Please optimize the molecule Cc1cc(Nc2nc(Cc3ccc(F)cc3)nc3cc(C(C)(C)C)sc23)n[nH]1 to have a lower LogP value.,Cc1cc(Nc2nc(Cc3ccc(C#N)cc3)nc3cc(C(C)(C)C)sc23)n[nH]1
MR,Please optimize the molecule CS(=O)(=O)Nc1ccc(OCC(O)C[NH2+]CCc2ccc(F)cc2)cc1 to have a higher MR value.,CS(=O)(=O)Nc1ccc(OCC(C[NH2+]CCc2ccc(F)cc2)NO)cc1
QED,Please modify the molecule COc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)NC(C)C(C)C)cc2)c1 to decrease its QED value.,COc1cc(NC(=O)COc2ccc(C(=O)OCC(=O)NC(C)C(C)C)cc2)cc(-c2ccccc2)c1
AtomNum,"Please generate a molecule consisting 37 carbon atoms, and 10 oxygen atoms.",Cc1cc(OC(=O)c2ccc(OCOCC3CCC4OC4C3)cc2)ccc1OC(=O)c1ccc(OCOCC2CCC3OC3C2)cc1
BondNum,"The molecule consists of 15 single bonds, 1 double bond, 10 rotatable bonds, and 6 aromatic bonds.",CCCCNc1nc(NCCCC)c(C(N)=O)c(C)c1CC
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, and 1 nitro group.",O=C(C=Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-]
AddComponent,Add a hydroxyl to the molecule CSC(C)CC[NH2+]C(C)c1cc2cc(Br)ccc2o1.,CSC(C)(O)CC[NH2+]C(C)c1cc2cc(Br)ccc2o1
SubComponent,Substitute a hydroxyl in the molecule CC(O)CC(C)(C)CNC(=O)c1ccc(C(N)=O)cc1 with a carboxyl.,CC(CC(C)(C)CNC(=O)c1ccc(C(N)=O)cc1)C(=O)[OH]
DelComponent,Modify the molecule hydroxyl by removing a O=C([O-])c1cc(S(=O)(=O)N2CCC(CO)CC2)ccc1Cl.,CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CC1
LogP,Modify the molecule CCC1(CC)CC(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c2ccccc2O1 to decrease its LogP value.,CCC1(CC)CC(NC(=O)C[NH+]2CCCCCC2)c2ccccc2O1
MR,Optimize the molecule Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(O)CN(C(=O)C1CC(Sc2ccncc2)CC[NH2+]1)C(C)(C)C to have a higher MR value.,Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(CN(C(=O)C1CC(Sc2ccncc2)CC[NH2+]1)C(C)(C)C)C(=O)[OH]
QED,Please modify the molecule CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc(F)c(-n5ccnc5)c4)ncnc3[nH]2)CC1 to increase its QED value.,CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4cccc(-n5ccnc5)c4)ncnc3[nH]2)CC1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, and 3 nitrogen atoms.",C[NH2+]C1CCC(C[NH+]2CCN(C)CC2)C1
BondNum,"There is a molecule consisting of 7 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",Cc1cc(CSc2nnnn2C(C)C)no1
FunctionalGroup,"There is a molecule with 3 benzene ring groups, and 1 halo group.",COc1cc(-c2oc3cc(OCc4ccccc4)c(Br)cc3c(=O)c2[O-])ccc1OCc1ccccc1
AddComponent,Add a hydroxyl to the molecule CC[NH2+]C(C)(c1nc(CC)c(C)s1)C1(C)CC1.,CCc1nc(C(C)([NH2+]CCO)C2(C)CC2)sc1C
SubComponent,Please substitute a COc1ccc(C[NH2+]C2CCOC2C)cc1C(N)=[NH+]O in the molecule hydroxyl with a aldehyde.,CC(=O)[NH+]=C(N)c1cc(C[NH2+]C2CCOC2C)ccc1OC
DelComponent,Please remove a Nc1cc(C(=O)Nc2c(Br)cc(Br)cc2Br)ccc1Cl from the molecule amine.,O=C(Nc1c(Br)cc(Br)cc1Br)c1ccc(Cl)cc1
LogP,Please modify the molecule CC1(C(O)C(=O)Nc2ccc(C[NH3+])c(F)c2)OCCN(c2ccn(-c3ccncc3)n2)C1=O to increase its LogP value.,CC(=O)c1cc(NC(=O)C(O)C2(C)OCCN(c3ccn(-c4ccncc4)n3)C2=O)ccc1C[NH3+]
MR,Optimize the molecule NC(=[NH2+])c1cccc(OCCN(C(=O)C(F)(F)F)c2ccc(-n3cccc3)cc2)c1 to have a lower MR value.,NC(=[NH2+])c1cccc(OCCN(C(=O)C(F)(F)F)n2cccc2)c1
QED,Modify the molecule Cc1scc2[nH]c(=O)c(C#N)c(N3CC[NH+](C)CC3)c12 to decrease its QED value.,Cc1scc2[nH]c(=O)cc(N3CC[NH+](C)CC3)c12
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",C#CCN(C)S(=O)(=O)N1CCCCC1C[NH2+]CC
BondNum,"The molecule contains 10 single bonds, 1 double bond, 2 triple bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cc1cccc(N(CCC#N)C(=O)Cn2cnc(C#N)n2)c1C
FunctionalGroup,The molecule contains and 1 benzene ring group.,Cn1nccc(C[NH+]2CC(Cn3cc(-c4ccccc4)nn3)C2)c1=O
AddComponent,Please add a benzene ring to the molecule Cc1cccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2)c1.,Cc1cc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2)ccc1-c1ccccc1
SubComponent,Substitute a nitrile in the molecule CCc1ccc2cc(O)sc2c1C#N with a halo.,CCc1ccc2cc(O)sc2c1Br
DelComponent,Remove a CCC(C(C)OC(=O)OC(C)OC(=O)CNP(=O)([O-])[O-])n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)C5)cc4)CC3)cc2)c1=O from the molecule benzene ring.,CCC(C(C)OC(=O)OC(C)OC(=O)CNP(=O)([O-])[O-])n1ncn(N2CCN(c3ccc(OCC4COC(Cn5cncn5)C4)cc3)CC2)c1=O
LogP,Modify the molecule Cc1nnc(CNC2=[NH+]CCN2)s1 to increase its LogP value.,Cc1nnc(CC2=[NH+]CCN2)s1
MR,Modify the molecule COCC(CCO)[NH2+]CC(C)(O)C(C)C to decrease its MR value.,CCC(COC)[NH2+]CC(C)(O)C(C)C
QED,Modify the molecule CC(CCCO)Nc1nc2cc(N)ccc2o1 to increase its QED value.,CCCC(C)Nc1nc2cc(N)ccc2o1
AtomNum,"There is a molecule with 15 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC(=O)CCn1cc(CC(=O)C(=O)[O-])c2ccccc21
BondNum,"The molecule is composed of 10 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(NC(=O)C(C#N)=CNc2ccccc2Sc2ccccc2)cc1Cl
FunctionalGroup,"Please generate a molecule with 2 halo groups, 1 nitrile group, and 1 sulfide group.",N#Cc1cc2c(F)c(CBr)ccc2s1
AddComponent,Add a hydroxyl to the molecule N#CCCc1cccc(Br)c1C=O.,N#CCCc1cccc(Br)c1C(=O)O
SubComponent,Modify the molecule CC(Nc1ccccc1SCC(F)(F)F)c1ccco1 by substituting a halo with a nitro.,CC(Nc1ccccc1SCC(F)(F)NO)c1ccco1
DelComponent,Please remove a hydroxyl from the molecule Oc1ccc2c3c1OC1C(O)CCC4(O)C(C2)[NH2+]CCC314.,Oc1ccc2c3c1OC1C(O)CCC4C(C2)[NH2+]CCC341
LogP,Please optimize the molecule CCCn1c(=O)c2c(nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)n2CC(=O)c2ccc(Cl)cc2)n(CCC)c1=O to have a lower LogP value.,CCCn1c(=O)c2c(nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)n2CC(=O)c2ccc(NO)cc2)n(CCC)c1=O
MR,Please modify the molecule CCC1CCC(CNC(=O)OCc2ccccc2)C1C(=O)[O-] to decrease its MR value.,CCC1CCC(CNC(=O)OC)C1C(=O)[O-]
QED,Please optimize the molecule COC(=O)c1sc(Sc2ncnn2C)nc1Cl to have a lower QED value.,COC(=O)c1cnc(Sc2ncnn2C)s1
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCCn1c(SCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(C)c1
BondNum,"Please generate a molecule composed of 9 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CC(O)CNC(=O)CCc1cnn(-c2ccccc2)c1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 4 hydroxyl groups, 2 amide groups, 1 amine group, 2 thioether groups, and 2 sulfide groups.",Nc1nc(C(=NOCc2ccc(O)c(O)c2)C(=O)NC2C(=O)N3C(C(=O)[O-])=C(Cn4nnnc4-c4ccc(O)c(O)c4)CSC23)cs1
AddComponent,Please add a hydroxyl to the molecule CCN(C)C(=O)C[NH2+]Cc1c(C)noc1C.,CCN(C)C(=O)C[NH2+]C(O)c1c(C)noc1C
SubComponent,Substitute a nitrile in the molecule CC(=O)C(Br)=C(C)CCC#N with a halo.,CC(=O)C(Br)=C(C)CCBr
DelComponent,Please remove a benzene ring from the molecule CCCCc1nc(C(=O)OCC)cc(=O)n1Cc1ccc(-c2ccccc2C#N)cc1.,CCCCc1nc(C(=O)OCC)cc(=O)n1Cc1ccc(C#N)cc1
LogP,Modify the molecule CC(C)(C)c1cccc(NCC(O)CO)c1 to have a higher LogP value.,CC(=O)C(CO)CNc1cccc(C(C)(C)C)c1
MR,Modify the molecule Cc1ccccc1CCNC(=O)c1cccc(F)c1N to have a higher MR value.,Cc1ccccc1CCNC(=O)c1cccc(O)c1N
QED,Please optimize the molecule Oc1ccc2c(c1)CC([NH+]1CCCCC1)CN2 to have a higher QED value.,N#Cc1ccc2c(c1)CC([NH+]1CCCCC1)CN2
AtomNum,"Please generate a molecule with 9 carbon atoms, 2 chlorine atoms, and 1 silicon atom.",ClC(Cl)[SiH2]C=Cc1ccccc1
BondNum,"There is a molecule consisting of 10 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",OCC1COc2ccccc2C1[NH2+]Cc1ccccn1
FunctionalGroup,The molecule has and 1 hydroxyl group.,C=CCC12c3c(ccc(OC)c3OC)C(O)C13c1cc4c(cc1CC[NH+]23)OCO4
AddComponent,Modify the molecule COc1ccc(NC(=O)C2CC(C3CC[NH+](Cc4ccc(C)o4)CC3)[NH+](C)C2)cc1 by adding a carboxyl.,COc1ccc(NC(=O)C2CC(C3CC[NH+](Cc4ccc(C)o4)CC3)[NH+](C)C2)cc1C(=O)O
SubComponent,Substitute a CCCCc1ccc(C(=O)Nc2ccccc2F)cc1 in the molecule halo with a thiol.,CCCCc1ccc(C(=O)Nc2ccccc2S)cc1
DelComponent,Please remove a benzene ring from the molecule C[NH+]=C(NCCc1ccc(F)cc1C)NCc1ccccn1.,C[NH+]=C(NCCCF)NCc1ccccn1
LogP,Modify the molecule CCC(C)C(O)C(C[NH3+])c1cc(C)ccc1OC to have a lower LogP value.,CCC(C)C(O)C(C[NH3+])COC
MR,Please optimize the molecule O=C1C(=Cc2ccccc2F)[NH+]=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 to have a higher MR value.,ONc1ccccc1C=C1[NH+]=C(c2ccc(F)cc2)N(c2ccc(Cl)cc2)C1=O
QED,Please optimize the molecule CC(CC[NH+](C)C)N(Sc1c(Cl)cccc1Cl)c1ccc(S(=O)(=O)Nc2ncnc3c2CC[NH+](C2CC[NH+](Cc4ccccc4-c4ccc(Cl)cc4)CC2)C3)cc1S(=O)(=O)C(F)(F)F to have a lower QED value.,CC(CC[NH+](C)C)N(Sc1c(Cl)cccc1Cl)c1ccc(S(=O)(=O)c2ncnc3c2CC[NH+](C2CC[NH+](Cc4ccccc4-c4ccc(Cl)cc4)CC2)C3)cc1S(=O)(=O)C(F)(F)F
AtomNum,"There is a molecule with 21 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",COc1cc2c(cc1OC)CN(c1cc(C)nc(NCc3ccco3)n1)CC2
BondNum,"Please generate a molecule composed of 6 single bonds, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",N#Cc1nc(CF)ccc1C(F)F
FunctionalGroup,The molecule contains and 1 benzene ring group.,CCC(COC)NC(=O)Nc1ccccc1C(=O)[O-]
AddComponent,Please add a hydroxyl to the molecule CSc1n[nH]c(NCc2cccc(C)c2)n1.,CSc1n[nH]c(NCc2cc(C)ccc2O)n1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(F)cc1-n1c(N)nc2cccc(C)c21 with a carboxyl.,Cc1ccc(C(=O)[OH])cc1-n1c(N)nc2cccc(C)c21
DelComponent,Modify the molecule CCC[NH2+]C(c1cc2c(cc1Cl)OCCCO2)C1CCC1 by removing a halo.,CCC[NH2+]C(c1ccc2c(c1)OCCCO2)C1CCC1
LogP,Optimize the molecule c1ccc(-c2coc(C3CCC[NH+]3Cc3cnon3)n2)cc1 to have a lower LogP value.,NC(c1cnon1)[NH+]1CCCC1c1nc(-c2ccccc2)co1
MR,Please modify the molecule CC(O)CC(C)CNC(=O)Nc1nnc(C(F)F)s1 to increase its MR value.,CC(O)CC(C)CNC(=O)Nc1nnc(C(F)S)s1
QED,Please modify the molecule O=C(Oc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1c[nH]c(=O)[nH]c1=O to increase its QED value.,O=C(O[N+](=O)[O-])N(Cc1ccccc1)Cc1c[nH]c(=O)[nH]c1=O
AtomNum,"The molecule has 15 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
BondNum,"The molecule has 14 single bonds, 1 double bond, 7 rotatable bonds, and 21 aromatic bonds.",CC(Oc1ccc(C(C)(C)C)cc1)c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, and 4 halo groups.",CC(C)(C)OC(=O)c1cc(Cl)c(OCC2CCCC(F)(F)C2)cc1F
AddComponent,Add a nitrile to the molecule COc1cnc(-c2cnc(C(F)(F)F)nc2)cc1C[NH3+].,COc1cnc(-c2cnc(C(F)(F)F)nc2)c(C#N)c1C[NH3+]
SubComponent,Substitute a COCCOCCCOCC(O)c1ccc2c(c1)OCO2 in the molecule hydroxyl with a thiol.,COCCOCCCOCC(S)c1ccc2c(c1)OCO2
DelComponent,Remove a halo from the molecule O=C([O-])c1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.,O=C([O-])c1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
LogP,Modify the molecule CCC(=O)Nc1cccc(C#Cc2ccc(C(=O)NC(CNC(=O)OC(C)(C)C)C(=O)NO)cc2)c1 to have a higher LogP value.,CCC(=O)Nc1cccc(C#Cc2ccc(C(=O)N(O)CNC(=O)OC(C)(C)C)cc2)c1
MR,Please modify the molecule CCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 to increase its MR value.,CCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([SH]=O)c1
QED,Optimize the molecule Cc1cc(Oc2ccc(C3=[NH+]CCN3)cc2)cc(C)c1Cl to have a lower QED value.,Cc1cc(Oc2ccc(C3=[NH+]CCN3)cc2)cc(C)c1S
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cc1nc(N)nc(NCC(C2CC2)C2CC2)c1[N+](=O)[O-]
BondNum,"There is a molecule composed of 13 single bonds, 7 double bonds, and 10 aromatic bonds.",ClC1c2ccc([nH]2)C=c2ccc([nH]2)=CC2=NC(=CC3=NC1(Cl)C=C3)C=C2
FunctionalGroup,The molecule has and 2 amide groups.,CN(C)C(=O)C1CCN(C(=O)C([NH3+])CCC(=O)[O-])CC1
AddComponent,Modify the molecule COc1ccc2c(c1)[nH]c(=S)n2Cc1cccc(C)n1 by adding a hydroxyl.,Cc1cccc(Cn2c(=S)[nH]c3cc(OCO)ccc32)n1
SubComponent,Please substitute a CNC(=O)c1ccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCCC4)ccc3Cl)CC2)cc1 in the molecule halo with a thiol.,CNC(=O)c1ccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCCC4)ccc3S)CC2)cc1
DelComponent,Remove a amide from the molecule CCOC1CCCN(C(=O)C2(C(C)C)CC[NH2+]C2)C1.,CCOC1CCCC(C)(C)C2C[NH2+]C2C1
LogP,Please optimize the molecule Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(C(=O)NC(C)C)ccc2C)CC1 to have a lower LogP value.,Cc1ccc(C(=O)Nc2cccc(NO)c2)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(C(=O)NC(C)C)ccc2C)CC1
MR,Modify the molecule Cc1ccc2c(C(C)O)n(C)nc2c1 to have a lower MR value.,CCc1c2ccc(C)cc2nn1C
QED,Modify the molecule Cc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)N(C)C)c2C)CC1 to increase its QED value.,Cc1ccccc1NC(=O)c1cc(C#N)ccc1NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)N(C)C)c2C)CC1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",CNc1ncc([N+](=O)[O-])c(N(C)c2ccc(OC)cc2)n1
BondNum,"The molecule is composed of 14 single bonds, 3 double bonds, and 5 rotatable bonds.",CCOC(=O)CCC(=O)N1CCCC1C(=O)[O-]
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 hydroxyl groups, 1 amide group, and 2 halo groups.",O=C(c1cc(I)ccc1Br)N(CCO)CCO
AddComponent,Add a benzene ring to the molecule [NH3+]CCCC([NH3+])C(=O)N(CCCc1ccccc1)CC(=O)[O-].,[NH3+]CCCC([NH3+])C(=O)N(CCCc1ccccc1)C(C(=O)[O-])c1ccccc1
SubComponent,Please substitute a CCCC(C)N1CC=CC23SC4(C)C=CCCCCOC(=O)C4C2C(=O)N(C(CO)c2ccccc2)C3C1=O in the molecule hydroxyl with a nitrile.,CCCC(C)N1CC=CC23SC4(C)C=CCCCCOC(=O)C4C2C(=O)N(C(CC#N)c2ccccc2)C3C1=O
DelComponent,Remove a halo from the molecule CCNC(NCC(c1ccco1)[NH+]1CCCC1)=[NH+]Cc1ccc(OCC(F)(F)F)nc1.,CCNC(NCC(c1ccco1)[NH+]1CCCC1)=[NH+]Cc1ccc(OCC(F)F)nc1
LogP,Please optimize the molecule CCOc1cc(Cl)c(C([NH3+])C(C)(C)C)cc1Cl to have a lower LogP value.,CCOc1cc(C#N)c(C([NH3+])C(C)(C)C)cc1Cl
MR,Optimize the molecule O=S(=O)(Cn1cccn1)C1=CCON1 to have a higher MR value.,NC1=C(S(=O)(=O)Cn2cccn2)NOC1
QED,Modify the molecule NS(=O)(=O)c1ccc(OCCSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)cc1 to have a lower QED value.,N#Cc1cccc(-n2c(SCCOc3ccc(S(N)(=O)=O)cc3)nnc2N2CCOCC2)c1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 6 nitrogen atoms, and 1 chlorine atom.",Clc1cnc(C[NH+]2CCN(c3ncccn3)CC2)cn1
BondNum,"There is a molecule with 19 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",O=C1CCC2(CC[NH+](CCCc3ccccc3)CC2)CN1CCc1cccnc1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 3 halo groups.",Cc1cn2cc(C3=CC(=O)N4C=C(N5CC(C)[NH2+]C(C)C5)C=CC4=CCC3C)cc(C(F)(F)F)c2[nH+]1
AddComponent,Modify the molecule CCCOc1ccc(C2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccc(Cl)cc2C)cc1 by adding a hydroxyl.,CCCOc1ccc(C2C(c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2c2ccc(Cl)c(O)c2C)cc1
SubComponent,Please substitute a hydroxyl in the molecule N#CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-] with a thiol.,N#CC(S)(P(=O)([O-])[O-])P(=O)([O-])[O-]
DelComponent,Remove a amide from the molecule COc1ccc(C(=O)N2CCC(NC(=O)CCC(=O)c3ccc(C)cc3)CC2)cc1OC.,COc1ccc(C(=O)N2CCC(CC(=O)c3ccc(C)cc3)CC2)cc1OC
LogP,Please optimize the molecule O=C(Nc1ccc(-c2ccnc(N(C(=O)[O-])C(=O)[O-])n2)cc1)NC(CO)c1ccccc1 to have a lower LogP value.,O=C(NCCO)Nc1ccc(-c2ccnc(N(C(=O)[O-])C(=O)[O-])n2)cc1
MR,Modify the molecule Cc1cc(C)c2c(CC(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)noc2c1 to have a lower MR value.,Cc1cc(C)c2c(-c3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)noc2c1
QED,Modify the molecule CC[NH2+]C1(CO)CCCC([NH+]2CCCCC2C)C1 to have a lower QED value.,CC[NH2+]C1(CO)CCCC([NH+]2CCCCC2CN)C1
AtomNum,"Please generate a molecule with 26 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1
BondNum,"There is a molecule composed of 21 single bonds, 3 double bonds, 7 rotatable bonds, and 10 aromatic bonds.",COc1c(Cl)ccc2sc(N3CC[NH+](CCNC(=O)CN4C(=O)CCC4=O)CC3)nc12
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 1 halo group.",Cc1ccc(C(=O)N2CCCC(C(C)O)C2)cc1Cl
AddComponent,Modify the molecule CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCOc2ccc(C)cc2)c1 by adding a benzene ring.,CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)C(COc2ccc(C)cc2)c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a Nc1cccc(F)c1-c1nc(CC(F)(F)F)no1 with a hydroxyl.,Nc1cccc(O)c1-c1nc(CC(F)(F)F)no1
DelComponent,Please remove a halo from the molecule O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccccc1CO.,O=S(=O)(Nc1ccc(F)cc1)c1ccccc1CO
LogP,Optimize the molecule CCC1(C)NC(=O)C(CCCCCC(=O)[O-])NC(=O)C2CC(C)CN2C(=O)C(Cc2ccccc2)NC1=O to have a lower LogP value.,CCC1(C)NC(=O)C(CCCCCC(=O)[O-])NC(=O)C2CC(C)CN2C(=O)C(C)NC1=O
MR,Modify the molecule [NH3+]CC(=O)Nc1ccccc1NC(=O)c1cccs1 to have a lower MR value.,[NH3+]c1ccccc1NC(=O)c1cccs1
QED,Modify the molecule N#Cc1cccc2c(OC(F)F)c(N)sc12 to decrease its QED value.,Nc1sc2c(O)cccc2c1OC(F)F
AtomNum,"The molecule consists of 24 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",C=Nc1[nH]c(-c2ccc(Cl)cc2)cc1C(=[NH+]C)N1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1
BondNum,"The molecule contains 12 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",CC(=O)CCn1c(-c2ccccc2Cl)nc2sc3c(c2c1=O)CCC(C)C3
FunctionalGroup,Please generate a molecule with and 2 amine groups.,CCNC(=NCC1CN2CC[NH+]1CC2)NC1CC[NH+](C(C)C)CC1
AddComponent,Add a aldehyde to the molecule O=C(CC1(O)CCCCC1)NCCO.,O=CCC(O)CNC(=O)CC1(O)CCCCC1
SubComponent,Modify the molecule CCC(CNC(=O)C([NH3+])C(C)(C)C)Oc1cccc(F)c1 by substituting a halo with a hydroxyl.,CCC(CNC(=O)C([NH3+])C(C)(C)C)Oc1cccc(O)c1
DelComponent,Please remove a COCC[NH+](Cc1ccc(C[NH3+])cc1Cl)C1CC1 from the molecule halo.,COCC[NH+](Cc1ccc(C[NH3+])cc1)C1CC1
LogP,Modify the molecule CC[NH2+]C(Cc1ccc(F)cc1Br)c1ccc(F)c(C)c1 to decrease its LogP value.,CC[NH2+]C(c1ccc(F)c(C)c1)C(F)Br
MR,Please modify the molecule CC(C)(C)ON(C=O)C(O)C(=O)Oc1c(F)c(F)cc(F)c1F to increase its MR value.,CC(C)(C)ON(C=O)C(O)C(=O)Oc1cc(F)cc(F)c1F
QED,Modify the molecule O=Cc1c(-c2ccc(F)cc2)[nH]c2c1ccc1ccccc12 to have a higher QED value.,O=Cc1c(F)[nH]c2c1ccc1ccccc12
AtomNum,"The molecule contains 19 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCOc1ccc(C2=CSc3nnc(-c4ccc(OC)cc4)n3N2)cc1Cl
BondNum,"The molecule is composed of 17 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",COc1ccc(CC[NH2+]C2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)cc1
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 2 amine groups.",CCCCCCCCCC[O+]CCOCCOCCOCCOCCO[P+](O)(ON)ON
AddComponent,Add a aldehyde to the molecule CCn1cc(C(C)NOC)cn1.,CCn1cc(C(C)NOC)c(CC=O)n1
SubComponent,Modify the molecule Cc1c(C)n(Cc2cccc(F)c2)c2c(OCCc3ccc(F)cc3)nccc12 by substituting a halo with a nitrile.,Cc1c(C)n(Cc2cccc(C#N)c2)c2c(OCCc3ccc(F)cc3)nccc12
DelComponent,Remove a CCCCCOc1ccc(NC(=S)NC(=O)C2=CN3ONC=C3C=C2)cc1C(F)(F)F from the molecule amide.,CCCCCOc1ccc(NC(=S)C2C=CC3=CNON32)cc1C(F)(F)F
LogP,Please optimize the molecule CCCCOC(=O)c1cn(Cc2ccccc2)c2ccccc12 to have a higher LogP value.,CCC(COC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1
MR,Modify the molecule CN(C)C(=O)CCC(=O)N1C2=CCCC(O)=C2NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OCc2ccccc2)cc1Cl to have a higher MR value.,CN(C)C(=O)CCC(=O)N1C2=CCCC(S)=C2NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OCc2ccccc2)cc1Cl
QED,Modify the molecule COc1ccc(N=Cc2c(-c3ccccc3C(F)(F)F)[nH][nH]c2=O)cc1 to have a higher QED value.,COc1ccc(N=Cc2c(-c3ccccc3C(F)F)[nH][nH]c2=O)cc1
AtomNum,"There is a molecule composed of 23 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 3 fluorine atoms.",O=C(NC12CCCC(c3nc4ccc(C(F)(F)F)cc4[nH]3)(C1)C2)c1cc2c(cn1)OCCO2
BondNum,"There is a molecule consisting of 12 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCc1cc(C(N(C)C)C(C)(C)[NH3+])ccc1OC
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 1 amide group, and 1 amine group.",COc1ccc(C(=O)Nc2ccccc2)cc1NCc1ccc(C(=O)[O-])cc1
AddComponent,Please add a hydroxyl to the molecule COC(CNC(=O)CC(C[NH3+])OC)CC(=O)[O-].,COC(CNC(=O)CC(O)(C[NH3+])OC)CC(=O)[O-]
SubComponent,Please substitute a halo in the molecule Cc1ccc(C(=O)N2CCCC2c2[nH+]cc(C)n2Cc2ccc(F)cc2)s1 with a nitrile.,Cc1ccc(C(=O)N2CCCC2c2[nH+]cc(C)n2Cc2ccc(C#N)cc2)s1
DelComponent,Remove a halo from the molecule O=S(=O)(NC1CC1c1ccccc1)c1cnccc1Cl.,O=S(=O)(NC1CC1c1ccccc1)c1cccnc1
LogP,Modify the molecule Cc1ccc(CN(C)C(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 to have a lower LogP value.,Cc1ccc(CN(C)C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)cc1
MR,Please modify the molecule CCC1CCC(C(O)CCCO)CC1 to increase its MR value.,CCC1CCC(C(CCCO)C(=O)[OH])CC1
QED,Optimize the molecule Cc1cc(C(=O)Nc2nc(C(C)(C)C)cs2)ccc1NN to have a higher QED value.,Cc1cc(C(=O)Nc2nc(C(C)(C)C)cs2)ccc1N
AtomNum,"There is a molecule with 18 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",Cc1noc(N)c1C(=O)OCC(=O)NCCc1ccc(C(C)C)cc1
BondNum,"The molecule contains 11 single bonds, 4 rotatable bonds, and 15 aromatic bonds.",OCCOC1CCN(c2ccc3c(n2)[nH]c2ccncc23)CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 nitro group, and 5 halo groups.",O=[N+]([O-])c1c(C(F)F)cc(Br)cc1C(F)F
AddComponent,Add a hydroxyl to the molecule CCOC(=O)c1cc(Cl)cc2nc(N3CCN(C(=O)OC(C)(C)C)CC3C)oc12.,CCOC(=O)c1cc(Cl)cc2nc(N3CCN(C(=O)OC(C)(C)CO)CC3C)oc12
SubComponent,Substitute a halo in the molecule Cc1ccccc1NC(C(N)=O)c1cc(F)ccc1C with a nitrile.,Cc1ccccc1NC(C(N)=O)c1cc(C#N)ccc1C
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1.,Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c(C2CCN(C(=O)NCl)CC2)n1
LogP,Modify the molecule CC(C)CC1CCN(c2ccc(C(N)=O)nn2)CC1 to have a higher LogP value.,CC(C)CC1CCN(c2ccc(C(N)=O)nn2)C(c2ccccc2)C1
MR,Optimize the molecule CCC12CCC3=C(CCc4cc(O)ccc43)C1=CCC2O to have a higher MR value.,CCC12CCC3=C(CCc4cc(NO)ccc43)C1=CCC2O
QED,Modify the molecule O=C(NCC1CCSCC1)C1CC12CC[NH2+]CC2 to decrease its QED value.,O=CCC1C[NH2+]CCC12CC2C(=O)NCC1CCSCC1
AtomNum,"The molecule is composed of 35 carbon atoms, and 5 oxygen atoms.",CCC1C(C)(C)C(OC(C)=O)CCC12CC21CCC2(C)C(C3(C)CCC(C(C)C)O3)C(OCOC)CCC2(C)C1
BondNum,"The molecule has 17 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",COC(=O)C12Cn3cccc3C1[NH+]1CCCC1C2c1ccc(Cl)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amide groups, 1 amine group, 1 sulfide group, and 1 sulfone group.",COc1ccc2nc(NC(=O)C(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)sc2c1
AddComponent,Add a hydroxyl to the molecule CCC(CO)[NH2+]Cc1cc2cc(F)ccc2o1.,CC(O)C(CO)[NH2+]Cc1cc2cc(F)ccc2o1
SubComponent,Please substitute a halo in the molecule [NH3+]C1CCC(NS(=O)(=O)CBr)CC1 with a nitro.,[NH3+]C1CCC(NS(=O)(=O)CNO)CC1
DelComponent,Modify the molecule amide by removing a O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccccc1Sc1ccc(Cl)cc1.,FC(F)(F)c1cc(C2CC2)n(-c2ccccc2Sc2ccc(Cl)cc2)n1
LogP,Modify the molecule O=[N+]([O-])c1ccc(C(CO)CC(O)c2ccc(Br)cc2)cc1 to decrease its LogP value.,ONc1ccc(C(O)CC(CO)c2ccc([N+](=O)[O-])cc2)cc1
MR,Modify the molecule Nc1nc(=O)c2ncn(C3OC(C(O)P(=O)([O-])OC4C(CO)OC(n5cnc6c(=O)nc(N)[nH]c65)C4O)C(O)C3O)c2[nH]1 to decrease its MR value.,CC1OC(n2cnc3c(=O)nc(N)[nH]c32)C(O)C1OP(=O)([O-])C(O)C1OC(n2cnc3c(=O)nc(N)[nH]c32)C(O)C1O
QED,Please modify the molecule COc1ccc(-c2nnc(SCc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)n2C)cc1 to increase its QED value.,COc1ccc(-c2nnc(SCc3nnnn3-c3ccc(Cl)cc3C(F)F)n2C)cc1
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCC(C)[NH+](CCOC)CCC1([NH3+])CCCC1
BondNum,"The molecule consists of 10 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",O=C(c1ccc(-n2cncn2)cc1)N(Cc1ccccc1F)C1CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 hydroxyl groups, and 1 ester group.",COC(=O)CCCC(O)C(O)C=CC=CC#Cc1ccccc1
AddComponent,Add a benzene ring to the molecule CCCC(COC)[NH2+]Cc1cccc(C)n1.,CCCC(COC)[NH2+]Cc1ccc(-c2ccccc2)c(C)n1
SubComponent,Please substitute a CN(C(=O)C([NH3+])CC(=O)[O-])c1ccc(F)cc1F in the molecule halo with a aldehyde.,CC(=O)c1ccc(N(C)C(=O)C([NH3+])CC(=O)[O-])c(F)c1
DelComponent,Modify the molecule amide by removing a CCc1cccc(CC)c1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12.,CCc1cccc(CC)c1Sc1ncnc2sc(-c3ccccc3)cc12
LogP,Please modify the molecule C=CC(=O)N(C)C1CC2CN(C(=O)c3cc(OC)c4c(c3)nc(-c3cc5cccnc5n3CC3CC3)n4C)C1C2[NH3+] to decrease its LogP value.,COc1cc(C(=O)N2CC3CC(N(C)C(=O)C=CC#N)C2C3[NH3+])cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12
MR,Please modify the molecule Cn1nc(C(=O)N2C3CCC2CC(=O)NC3)cc1OC(F)F to increase its MR value.,Cn1nc(C(=O)N2C3CC(=O)NCC2C(O)C3)cc1OC(F)F
QED,Please modify the molecule [NH3+]C1c2ccccc2CC1Sc1ccccc1 to decrease its QED value.,[NH3+]C1c2ccccc2CC1S
AtomNum,"Please generate a molecule with 16 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",COc1cnn(CCCC[NH+]2CCN(c3ncccn3)CC2)c1
BondNum,"Please generate a molecule composed of 14 single bonds, and 1 rotatable bond.",CC(C)(C)CC(O)(C(F)(F)F)C(F)(F)F
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 amide groups.",CCc1ccc(CCC(=O)NC2CCNC(=O)C2)cc1
AddComponent,Add a carboxyl to the molecule OCCC1CCCC[NH+]1CC1CC[NH2+]CC1N1CCCCCC1.,O=C(O)C1CCCCCN1C1C[NH2+]CCC1C[NH+]1CCCCC1CCO
SubComponent,Modify the molecule halo by substituting a COCC[NH2+]Cc1c(C)nn(C)c1N(C)CC(F)F with a thiol.,COCC[NH2+]Cc1c(C)nn(C)c1N(C)CC(F)S
DelComponent,Please remove a C[NH+]=C(NCC(C)(C)SC)NC1CCc2cn(C(C)C)nc2C1 from the molecule amine.,CSC(C)(C)CNC(C)NC1CCc2cn(C(C)C)nc2C1
LogP,Modify the molecule OCCN(Cc1ccnc(Cl)c1)CC(F)F to have a lower LogP value.,OCCN(CCF)Cc1ccnc(Cl)c1
MR,Modify the molecule C#CC#CC#CC#CC#CC#CC#CC#CC#COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)C(C(=O)N1CCc2ccccc21)N1C(=O)C(OC)N(C)C1=O to have a higher MR value.,C#CC#CC#CC#CC#CC#CC#CC#CC#COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)C(C(=O)N1CCc2cc(O)ccc21)N1C(=O)C(OC)N(C)C1=O
QED,Optimize the molecule CC1(C)OC2C(CCO)OC(n3cnc4c(N)nc(I)nc43)C2O1 to have a higher QED value.,CC(=O)CCC1OC(n2cnc3c(N)nc(I)nc32)C2OC(C)(C)OC12
AtomNum,"There is a molecule composed of 10 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",C[NH2+]CCN(C)C(=O)c1csc2cncn12
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(O)(CCS(C)(=O)=O)c1ccc(Cl)cc1
FunctionalGroup,"There is a molecule with 1 hydroxyl group, 1 amide group, 1 amine group, 1 sulfide group, and 1 sulfone group.",CNS(=O)(=O)c1csc(C(=O)NCC2(O)C3C4CC5C6C4CC3C6C52)c1
AddComponent,Add a hydroxyl to the molecule O=[N+]([O-])c1ccc(Br)cc1NC1CCCCC1.,O=[N+]([O-])c1ccc(Br)c(O)c1NC1CCCCC1
SubComponent,Modify the molecule CCCNc1ncc(C(=O)Nc2cnns2)cc1Cl by substituting a halo with a carboxyl.,CCCNc1ncc(C(=O)Nc2cnns2)cc1C(=O)[OH]
DelComponent,Modify the molecule amine by removing a CCCN(c1ncc(Cl)cc1N)C1CC1.,CCCN(c1ccc(Cl)cn1)C1CC1
LogP,Modify the molecule CSc1nnc(CC2CCN(C(=O)Cn3nnnc3N)CC2)n1C to have a higher LogP value.,CSc1nnc(CC2CCC(n3nnnc3N)C2)n1C
MR,Modify the molecule Nc1ncc(B(O)O)cc1S(=O)(=O)Nc1ccc(F)cc1F to have a lower MR value.,Nc1ncc(BO)cc1S(=O)(=O)Nc1ccc(F)cc1F
QED,Modify the molecule CCC[NH2+]C(CN(CCC)C1CC1)c1ccc(C)c(C)c1 to have a lower QED value.,CCC[NH2+]C(CC)CN(CCC)C1CC1
AtomNum,"The molecule consists of 16 carbon atoms, 1 nitrogen atom, 3 fluorine atoms, and 1 bromine atom.",C[NH2+]C(c1ccc(C(F)(F)F)cc1)c1ccc(C)cc1Br
BondNum,"Please generate a molecule consisting 20 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCOC3(CCCC3)C2)c(C)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",O=C(Nc1ccc2c(c1)OCO2)c1ccc(NCCc2cccc(Cl)c2)nc1
AddComponent,Please add a hydroxyl to the molecule Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(Cn2cc([N+](=O)[O-])cn2)cs1.,Cc1c(NC(=O)c2cc(Cn3cc([N+](=O)[O-])cn3)cs2)c(CO)nn1Cc1c(Cl)cccc1Cl
SubComponent,Substitute a halo in the molecule COCCCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)c(OC)c2)C1c1cccnc1 with a nitro.,COCCCN1C(=O)C(=O)C(=C([O-])c2ccc(NO)c(OC)c2)C1c1cccnc1
DelComponent,Please remove a O=C(CCl)CC(O)c1ccccc1 from the molecule hydroxyl.,O=C(CCl)CCc1ccccc1
LogP,Please optimize the molecule CC(Oc1ccc(C(F)(F)F)cc1)C1CCC[NH2+]C1 to have a lower LogP value.,CC(Oc1ccc(C(O)(F)F)cc1)C1CCC[NH2+]C1
MR,Modify the molecule O=C(Cc1ccc(F)c(Br)c1)c1ccc2c(c1)CCCN2 to increase its MR value.,O=C(Cc1ccc(S)c(Br)c1)c1ccc2c(c1)CCCN2
QED,Please optimize the molecule O=C([O-])c1cccc(SCC2OC3OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC9C(CO)OC(OC%10C(CO)OC(OC2C(O)C3O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)c1 to have a lower QED value.,ONCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC9C(CSc%10cccc(C(=O)[O-])c%10)OC(OC1C(O)C2O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
AtomNum,"There is a molecule consisting of 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",COCCC(C)(C)Cn1c(C(C)(C)C)c[nH]c1=S
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, 6 rotatable bonds, and 17 aromatic bonds.",COc1cccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1OC
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 halo group, and 1 sulfide group.",COc1cc2sc(=NC(=O)COc3ccccc3F)n(C)c2cc1OC
AddComponent,Add a hydroxyl to the molecule C[NH+](C)C(c1ccc(F)c(F)c1)c1nc(CC[NH3+])cs1.,C[NH+](C)C(c1nc(CC[NH3+])cs1)c1cc(F)c(F)cc1O
SubComponent,Substitute a CCOc1ccccc1OCCCC(Cl)c1ccccc1 in the molecule halo with a thiol.,CCOc1ccccc1OCCCC(S)c1ccccc1
DelComponent,Remove a Cc1ccccc1-n1nc2cc(C#N)ccc2c1NC(=O)c1cc(-c2ccn(C)n2)c(C(F)(F)F)cc1F from the molecule halo.,Cc1ccccc1-n1nc2cc(C#N)ccc2c1NC(=O)c1ccc(C(F)(F)F)c(-c2ccn(C)n2)c1
LogP,Please optimize the molecule O=S(=O)(NN=Cc1ccncc1)c1ccc(Cl)cc1 to have a lower LogP value.,O=S(=O)(Cl)NN=Cc1ccncc1
MR,Modify the molecule CS(=O)(=O)c1cccc(NC(=O)CSc2ccc(F)c(F)c2)c1 to decrease its MR value.,CS(=O)(=O)c1cccc(Sc2ccc(F)c(F)c2)c1
QED,Please optimize the molecule O=C([O-])CSc1nc2cc(-c3ccc(F)cc3)c(Cl)cc2[nH]1 to have a lower QED value.,O=C([O-])CSc1nc2c(O)c(-c3ccc(F)cc3)c(Cl)cc2[nH]1
AtomNum,"There is a molecule composed of 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCc1ccc(OCCC2([NH3+])CC[NH+](C)CC2)cc1
BondNum,"The molecule consists of 9 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(NC(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cc1C
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 3 halo groups.",[NH3+]CCC(c1cccc(F)c1)c1ccc(F)c(F)c1
AddComponent,Please add a benzene ring to the molecule O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccc(F)cc1.,O=C(CSc1ncnc2c1oc1cc(-c3ccccc3)ccc12)Nc1ccc(F)cc1
SubComponent,Please substitute a thiol in the molecule Oc1ccc2c3c(ccc2c1)CC[NH2+]C3CCS with a nitro.,ONCCC1[NH2+]CCc2ccc3cc(O)ccc3c21
DelComponent,Modify the molecule CC1(C)Cc2cc(C(Br)c3ccc(Br)o3)ccc2O1 by removing a halo.,CC1(C)Cc2cc(Cc3ccc(Br)o3)ccc2O1
LogP,Modify the molecule O=C(Cl)OOCCc1ccccc1 to have a lower LogP value.,CCOOC(=O)Cl
MR,Modify the molecule CS(=O)(=O)N1CCCCC1C(=O)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1 to decrease its MR value.,CS(=O)(=O)N1CCCCC1C(=O)N(Cc1ccccc1)c1nc2ccccc2s1
QED,Modify the molecule O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCC1CBr to have a lower QED value.,CC(=O)c1ccc(S(=O)(=O)N2CCCC2CBr)cc1Cl
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",C[NH2+]Cc1cnc(C)nc1Oc1ncn(C)n1
BondNum,"The molecule consists of 11 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",Cc1nn(C(C)C)c(N2CCCC2)c1N
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 1 halo group.",O=C(CCc1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1-n1cncn1
AddComponent,Modify the molecule CCC(C)n1ccc2ccc(C)cc21 by adding a nitrile.,Cc1ccc2ccn(C(C)C(C)C#N)c2c1
SubComponent,Please substitute a COc1cccc(C=C2SC(=O)N(Cc3ccc(I)cc3)C2=O)c1OC(=O)c1ccc(Cl)cc1Cl in the molecule halo with a carboxyl.,COc1cccc(C=C2SC(=O)N(Cc3ccc(C(=O)[OH])cc3)C2=O)c1OC(=O)c1ccc(Cl)cc1Cl
DelComponent,Please remove a N#Cc1ccc(OCC(=O)NN=Cc2ccc(Br)s2)cc1 from the molecule nitrile.,O=C(COc1ccccc1)NN=Cc1ccc(Br)s1
LogP,Modify the molecule CC1CCN(C(Cc2cccc3ccccc23)C(N)=O)C(=O)C(c2ccc(Cl)c(C(F)(F)F)c2)N1C(=O)Cc1ccc2ncccc2c1 to decrease its LogP value.,CC1CCN(C(Cc2cccc3ccccc23)C(N)=O)C(=O)C(c2ccc(O)c(C(F)(F)F)c2)N1C(=O)Cc1ccc2ncccc2c1
MR,Please optimize the molecule Cc1cc(C([NH3+])Cc2nc3ccccc3s2)c(C)o1 to have a higher MR value.,Cc1oc(CN)cc1C([NH3+])Cc1nc2ccccc2s1
QED,Please optimize the molecule [NH3+]C(CC(=O)[O-])C(=O)OC(=O)c1c([O-])c2cccnc2n(Cc2ccc(C(F)(F)F)cc2)c1=O to have a higher QED value.,[NH3+]C(CC(=O)[O-])C(=O)OC(=O)c1c([O-])c2cccnc2n(CC(F)(F)F)c1=O
AtomNum,"There is a molecule composed of 18 carbon atoms, and 4 nitrogen atoms.",CCN(CC)c1cc(Nc2ccc(C(C)C)cc2)nc(C)n1
BondNum,"Please generate a molecule composed of 8 single bonds, 3 double bonds, 1 triple bond, 6 rotatable bonds, and 28 aromatic bonds.",N#Cc1ccccc1N=Nc1c(-c2ccc([N+](=O)[O-])cc2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
FunctionalGroup,The molecule has and 1 sulfide group.,COCC1C[NH+](Cc2cccs2)CC12CC[NH+](Cc1cc(C)on1)CC2
AddComponent,Please add a benzene ring to the molecule Cc1ccc(Cn2ccc(-c3ccco3)n2)cc1.,Cc1ccc(Cn2ccc(-c3ccco3)n2)c(-c2ccccc2)c1
SubComponent,Modify the molecule COc1cc(CNC(=O)C(NC(=O)c2ccccc2F)C(C)C)ccc1OCc1ccccc1 by substituting a halo with a carboxyl.,COc1cc(CNC(=O)C(NC(=O)c2ccccc2C(=O)[OH])C(C)C)ccc1OCc1ccccc1
DelComponent,Please remove a nitrile from the molecule N#Cc1c(-c2ccccc2)[nH]c(SCC(=O)Nc2ccccc2Br)nc1=O.,O=C(CSc1nc(=O)cc(-c2ccccc2)[nH]1)Nc1ccccc1Br
LogP,Modify the molecule CN1C(=O)C(O)c2ccc(Sc3nccn3C)cc21 to increase its LogP value.,CN1C(=O)Cc2ccc(Sc3nccn3C)cc21
MR,Modify the molecule OCCC(O)Cc1c(F)cccc1F to increase its MR value.,OCCC(O)Cc1c(F)ccc(O)c1F
QED,Please optimize the molecule Cc1nc(C2CN(C(=O)Cc3ccc4[nH]ncc4c3)CCO2)n[nH]1 to have a lower QED value.,Cc1nc(C2CN(C(=O)Cc3ccc4[nH]ncc4c3-c3ccccc3)CCO2)n[nH]1
AtomNum,"The molecule consists of 23 carbon atoms, 6 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc2c(c1)c(-n1c(=O)[nH]c3cscc3c1=O)c(C(=O)[O-])n2Cc1cc([N+](=O)[O-])ccc1Cl
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",Cc1cccc(CC(=O)C2([NH+](C)C)CCCCC2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 halo group, and 1 nitrile group.",CNC(=O)COC(=O)NCCC1CC[NH+](Cc2cc(F)cc(C#N)c2)CC1
AddComponent,Please add a hydroxyl to the molecule CCC(C)(C)N(C)S(=O)(=O)c1cc(Br)c(C)cc1Br.,CCC(C)(C)N(C)S(=O)(=O)c1cc(Br)c(CO)cc1Br
SubComponent,Modify the molecule halo by substituting a Cc1cc(C)c(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 with a carboxyl.,Cc1cc(C)c(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C(=O)[OH])cc2)c(C)c1
DelComponent,Please remove a benzene ring from the molecule CC1CCNc2ccc(-c3cccc(S(C)(=O)=O)c3)nc2N1C(=O)Nc1cncc(-c2cnco2)c1.,CC1CCNc2ccc(S(C)(=O)=O)nc2N1C(=O)Nc1cncc(-c2cnco2)c1
LogP,Optimize the molecule CSCCC(NC(=O)C([NH3+])C(C)O)C(=O)NCC(=O)N1CCCC1C(=O)[O-] to have a higher LogP value.,CSCCC(NC(=O)C([NH3+])C(C)C(=O)[OH])C(=O)NCC(=O)N1CCCC1C(=O)[O-]
MR,Modify the molecule CC(O)C1CCN(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C1 to decrease its MR value.,CCC1CCN(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C1
QED,Optimize the molecule COc1cc(Cl)c(C)cc1NC(=O)Cn1cc(F)ccc1=O to have a lower QED value.,COc1cc(NO)c(C)cc1NC(=O)Cn1cc(F)ccc1=O
AtomNum,"The molecule contains 29 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC3OC4(OCC(C)CC4=NO)C(C)C32)C1
BondNum,"The molecule consists of 6 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",CCc1ccc(CC(=O)c2cc(Br)cs2)s1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 amide groups.",Cc1ccc2cc(C(=O)Nc3cc(NC(=O)c4ccc5c(c4)OCCC5)ccc3C)ccc2n1
AddComponent,Please add a hydroxyl to the molecule O=C1CCC(CCCCSCCO)N1CCc1cc(Cl)cc(Cl)c1.,O=C1CCC(CCCCSCCO)N1C(O)Cc1cc(Cl)cc(Cl)c1
SubComponent,Substitute a CCn1ncc2c(Nc3ccccc3)c(C3=NOC4(C3)CS(O)(O)C4)cnc21 in the molecule hydroxyl with a halo.,CCn1ncc2c(Nc3ccccc3)c(C3=NOC4(C3)CS(O)(F)C4)cnc21
DelComponent,Remove a halo from the molecule O=C([O-])n1ncc2cc(CO)c(F)cc21.,O=C([O-])n1ncc2cc(CO)ccc21
LogP,Please optimize the molecule CC[NH+](C)C#CP(=NS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)c1ccccc1 to have a lower LogP value.,CC[NH+](C)C#C[PH](=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
MR,Modify the molecule Nc1cccc(OCCC(=O)OCc2ccc(F)cc2)c1 to increase its MR value.,Nc1cccc(OCCC(=O)OCc2ccc(NO)cc2)c1
QED,Modify the molecule C=C(C=C(C)NC(C)=O)OCCCC(OC)OC to decrease its QED value.,C=C(C=CC)OCCCC(OC)OC
AtomNum,"The molecule contains 17 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",C[NH+](CC1CCCCC1O)C(=CC#N)c1ccc([N+](=O)[O-])cc1
BondNum,"The molecule consists of 9 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",O=S(=O)(Cl)c1cc(Cl)c(I)c(OC(F)(F)F)n1
FunctionalGroup,"There is a molecule consisting of 2 hydroxyl groups, 1 ketone group, and 1 amine group.",CNc1nc(C#Cc2ccccn2)nc2c1ncn2C1C(O)C(O)C2(C(C)=O)CC12
AddComponent,Please add a hydroxyl to the molecule Nc1c(-c2cccs2)nc2cc(C(=O)[O-])ccn12.,Nc1c(-c2cccs2)nc2cc(C(=O)[O-])c(O)cn12
SubComponent,Substitute a halo in the molecule O=C([O-])c1cc(Br)cn1-c1ccccc1Cl with a hydroxyl.,O=C([O-])c1cc(O)cn1-c1ccccc1Cl
DelComponent,Modify the molecule hydroxyl by removing a CC(C)(C)OC(=O)N1CCC1COc1cncc(CC2CC2CO)c1.,CC1CC1Cc1cncc(OCC2CCN2C(=O)OC(C)(C)C)c1
LogP,Optimize the molecule CCCCOC(=O)c1cccc(Oc2nc(Oc3cc(C(N)=[NH2+])ccc3OCC)nc3c2nc(C)n3C(CCCC[NH3+])C(N)=O)c1 to have a higher LogP value.,CCCCOC(=O)c1cccc(Oc2nc(Oc3cc(CN)ccc3OCC)nc3c2nc(C)n3C(CCCC[NH3+])C(N)=O)c1
MR,Please optimize the molecule CN1C(=O)C(C(=O)NCc2cccc(C(F)(F)F)c2)=CC2(C)C3CCC4(C)CCCC4C3CCC12 to have a higher MR value.,CN1C(=O)C(C(=O)NCc2cccc(C(F)(F)NO)c2)=CC2(C)C3CCC4(C)CCCC4C3CCC12
QED,Please modify the molecule COc1ccccc1NC(=O)C1C[NH2+]Cc2c(C)cccc21 to decrease its QED value.,CONC(=O)C1C[NH2+]Cc2c(C)cccc21
AtomNum,"The molecule contains 13 carbon atoms, 1 nitrogen atom, and 1 chlorine atom.",Cc1ccc(CC2(C[NH3+])CCC2)c(Cl)c1
BondNum,"The molecule is composed of 12 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",CCCCN(C)c1cc(NCCC(C)[NH3+])ncn1
FunctionalGroup,The molecule has and 2 halo groups.,CN(CC[NH+](CC(=O)[O-])C1CCC(CN(C)c2ccc(Br)c(F)n2)CC1)C(=O)OC(C)(C)C
AddComponent,Add a aldehyde to the molecule CCC1(CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C(C)C)OCCc2cc(OC)c(OC)cc21.,CCC1(CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)C(C)C)OCCc2cc(OC)c(OC)c(CC=O)c21
SubComponent,Please substitute a N#CC(C#N)=c1c2sc3ccccc3c2c(=C(C#N)C#N)c2sc3ccccc3c12 in the molecule nitrile with a thiol.,N#CC(S)=c1c2sc3ccccc3c2c(=C(C#N)C#N)c2sc3ccccc3c12
DelComponent,Remove a O=C(CCCOCCC(F)(F)F)c1cccs1 from the molecule halo.,O=C(CCCOCCC(F)F)c1cccs1
LogP,Please optimize the molecule C[NH+]=C(NCCCOCC1CCOC1)N1CCN(c2cccc(Cl)c2)CC1 to have a lower LogP value.,C[NH+]=C(NCCCOCC1CCOC1)N1CCN(Cl)CC1
MR,Optimize the molecule CC(C)Nc1ccc(C(=O)Nc2cccc3cccnc23)nc1 to have a lower MR value.,CC(C)Nc1cc-n(-c2cccc3cccnc23)c1
QED,Please optimize the molecule CC(C)c1cccc2c1OC(C)(C)CC2O to have a higher QED value.,CC(CO)c1cccc2c1OC(C)(C)CC2O
AtomNum,"The molecule contains 17 carbon atoms, and 4 oxygen atoms.",O=C([O-])CC(Cc1ccccc1)c1ccc2c(c1)OCO2
BondNum,"There is a molecule composed of 24 single bonds, 2 double bonds, 1 rotatable bond, and 12 aromatic bonds.",CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 amine group, and 4 halo groups.",Nc1ccc(Cl)cc1NC(=O)C(F)(F)F
AddComponent,Please add a hydroxyl to the molecule C[NH+](CCCNC(=O)CCCNC(=O)c1ccccc1)Cc1ccccc1.,C[NH+](CCCNC(=O)CCCNC(=O)c1cccc(O)c1)Cc1ccccc1
SubComponent,Modify the molecule nitrile by substituting a CCN(CC)c1ccc(CC(=O)Nc2ccn(Cc3ccc(C#N)cc3)n2)cc1 with a halo.,CCN(CC)c1ccc(CC(=O)Nc2ccn(Cc3ccc(I)cc3)n2)cc1
DelComponent,Modify the molecule C=c1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1=CNc1ccc(C(=O)[O-])cc1 by removing a amine.,C=c1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1=Cc1ccc(C(=O)[O-])cc1
LogP,Please modify the molecule Cc1cncc(CNc2c(Cl)ccc3nsnc23)c1 to decrease its LogP value.,Cc1cncc(Cc2c(Cl)ccc3nsnc23)c1
MR,Optimize the molecule CC1C[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1C(=O)[O-] to have a lower MR value.,CC1C[NH+](Cc2ccc(OCF)cc2)CC1C(=O)[O-]
QED,Optimize the molecule CCC(Nc1ccc(Br)cc1Br)C(N)=O to have a lower QED value.,CCC(Nc1ccc(Br)cc1)C(N)=O
AtomNum,"The molecule consists of 15 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",CC(C)OCCC(=O)NC(C)C(O)c1ccc(Br)cc1
BondNum,"The molecule contains 14 single bonds, 1 double bond, 9 rotatable bonds, and 16 aromatic bonds.",Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)CCSc3ccc(F)cc3)sc2c1
FunctionalGroup,"There is a molecule with 1 ketone group, and 1 halo group.",CCCCC(C)C(=O)Cc1c(Br)c(CC)nn1C
AddComponent,Please add a benzene ring to the molecule CC(C)C(=O)Nc1ccc(C2OC(=O)N(Cc3ccccc3)C2C(=O)Nc2cccc(F)c2)cc1.,CC(C)C(=O)Nc1ccc(C2OC(=O)N(Cc3ccccc3)C2C(=O)Nc2cc(F)cc(-c3ccccc3)c2)cc1
SubComponent,Substitute a Cc1cc(C(Br)c2cccc(Cl)c2Cl)c(C)cc1Br in the molecule halo with a aldehyde.,CC(=O)C(c1cc(C)c(Br)cc1C)c1cccc(Cl)c1Cl
DelComponent,Remove a halo from the molecule Cc1cnc2nc(S(=O)(=O)N(c3c(C(=O)[O-])ccc(Cl)c3C)C(C)C)nn2c1.,Cc1cnc2nc(S(=O)(=O)N(c3c(C)cccc3C(=O)[O-])C(C)C)nn2c1
LogP,Modify the molecule c1ccc2c(c#1)c1cc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)n4)cc3)ccc1n2-c1nccc2c1sc1ccc(-n3c4ccccc4c4ccccc43)cc12 to have a lower LogP value.,c1ccc2c(c#1)c1cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)ccc1n2-c1nccc2c1sc1ccc(-n3c4ccccc4c4ccccc43)cc12
MR,Modify the molecule COc1c(S(=O)(=O)N2CCCC2)ccc(Cl)c1Cl to decrease its MR value.,COc1c(Cl)cccc1S(=O)(=O)N1CCCC1
QED,Modify the molecule O=S(=O)(c1ccc(F)c(CCl)c1)N1CCOC2CCCC21 to decrease its QED value.,ONc1ccc(S(=O)(=O)N2CCOC3CCCC32)cc1CCl
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccccc1-n1cc(-c2ccccc2)[nH+]c1SCC(=O)Nc1ccccc1Cl
BondNum,"The molecule has 24 single bonds, 6 rotatable bonds, and 18 aromatic bonds.",FCc1cc(C(F)(F)F)cc(F)c1P(c1c(F)cc(C(F)(F)F)cc1CF)c1c(F)cc(C(F)(F)F)cc1CF
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 1 nitro group, and 1 halo group.",CC1Cc2ccccc2N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1
AddComponent,Please add a nitrile to the molecule C=C(c1ccc(C(=O)OC)cc1)C1CCN(CC)C(=O)C12CCCC2=O.,C=C(c1ccc(C(=O)OC)cc1)C1C(C#N)CN(CC)C(=O)C12CCCC2=O
SubComponent,Modify the molecule halo by substituting a Cc1c(C(=O)N(C)C)sc(NC(=O)c2sc3ccccc3c2Cl)c1C(=O)OC(C)C with a nitrile.,Cc1c(C(=O)N(C)C)sc(NC(=O)c2sc3ccccc3c2C#N)c1C(=O)OC(C)C
DelComponent,Modify the molecule amide by removing a Cc1nnc(NC(=O)CS(=O)Cc2cccc3ccccc23)s1.,Cc1nnc(S(=O)Cc2cccc3ccccc23)s1
LogP,Please optimize the molecule CCOC(=O)[N-]C(=O)c1ccsc1NC(=O)c1cc2c(F)cccc2s1 to have a lower LogP value.,CCOC(=O)[N-]C(=O)c1cc(O)sc1NC(=O)c1cc2c(F)cccc2s1
MR,Modify the molecule Nc1ccc(C(=O)[O-])cc1NCCc1cccc(Br)c1 to have a higher MR value.,Nc1ccc(C(=O)[O-])cc1NCCc1cc(Br)ccc1O
QED,Modify the molecule CCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1F to increase its QED value.,CCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1F
AtomNum,"There is a molecule with 20 carbon atoms, 8 oxygen atoms, and 1 nitrogen atom.",CCOC(=O)c1c(C)oc(NC(=O)c2cc(OC)cc(OC)c2)c1C(=O)OCC
BondNum,"Please generate a molecule with 18 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",O=C(NCC1CC1)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 2 ester groups.",CCOC(=O)c1ccc(Oc2nc(Oc3ccc(C(=O)OCC)cc3)nc(N(CC)CC)n2)cc1
AddComponent,Add a benzene ring to the molecule CCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(C)C.,CCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(C)Cc1ccccc1
SubComponent,Modify the molecule halo by substituting a CN1CC[NH+](Cc2ccc(C3[NH2+]C4CCCC5=C4C(=NCC5=O)C3c3ccc(F)cc3)cc2)CC1 with a hydroxyl.,CN1CC[NH+](Cc2ccc(C3[NH2+]C4CCCC5=C4C(=NCC5=O)C3c3ccc(O)cc3)cc2)CC1
DelComponent,Modify the molecule CC([NH2+]CC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 by removing a amide.,CC([NH2+]CC(F)(F)F)c1ccc(Cl)cc1
LogP,Please optimize the molecule O=C(c1cnc(NC23CCC(CC2)C3)nc1C(F)(F)F)N1CCS(=O)(=O)CC1 to have a lower LogP value.,O=C(c1cnc(NC23CCC(CC2)C3)nc1C(F)F)N1CCS(=O)(=O)CC1
MR,Modify the molecule [NH3+]C1CCCCCC1C(=O)Nc1ccc([N+](=O)[O-])cc1F to have a higher MR value.,[NH3+]C1CCCCCC1C(=O)Nc1c(O)cc([N+](=O)[O-])cc1F
QED,Modify the molecule [NH3+]C(CCC(=O)[O-])C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1F to have a lower QED value.,[NH3+]C(CCC(=O)[O-])C(=O)Nc1ccc(S)cc1C(=O)c1ccccc1F
AtomNum,"The molecule has 24 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CN(C(=O)Cc1coc(-c2ccccc2)n1)C1CCC(c2ccccc2)CC1
BondNum,"Please generate a molecule consisting 8 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",O=C(Nc1cccc(-c2nnco2)c1)C1C[NH2+]C1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 2 hydroxyl groups, 1 ketone group, and 1 amide group.",CC(O)C(NC(=O)c1ccc(C#CC#Cc2ccccc2)cc1)C(=O)CO
AddComponent,Please add a carboxyl to the molecule Cc1cc(C(Br)c2ccc(Cl)c(Br)c2)sc1Br.,Cc1cc(C(Br)c2cc(Br)c(Cl)cc2C(=O)O)sc1Br
SubComponent,Substitute a nitrile in the molecule COCCC(=O)C(C#N)c1cccc(Cl)c1F with a nitro.,COCCC(=O)C(NO)c1cccc(Cl)c1F
DelComponent,Remove a halo from the molecule CC[NH2+]C(c1cnn(C)c1C)c1c(Br)cnn1CCOC.,CC[NH2+]C(c1cnn(C)c1C)c1ccnn1CCOC
LogP,Optimize the molecule CCC(C#N)S(=O)(=O)N1CCC(NC(=O)OC)C1 to have a lower LogP value.,CCC(C(=O)[OH])S(=O)(=O)N1CCC(NC(=O)OC)C1
MR,Modify the molecule O=C(NCCc1ccccc1F)C1CC1c1ccc(F)cc1 to have a higher MR value.,O=C(NCCc1ccccc1S)C1CC1c1ccc(F)cc1
QED,Please optimize the molecule COc1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc(OC)c1OC to have a higher QED value.,COc1cc(NS(=O)(=O)c2ccc(F)cc2F)cc(OC)c1OC
AtomNum,"The molecule has 21 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(C)c1ccc(OC(N)=O)c(-c2ccc3c(c2)C2(C)CC[NH2+]C2N3)c1
BondNum,"The molecule has 14 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",CC(=O)c1cccc(OCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, and 2 amide groups.",CCC(C)NC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1
AddComponent,Please add a amine to the molecule C=C(COC(C)=O)CC1(C(C)=O)CCOC1=O.,C=C(COC(C)=O)CC1(C(C)=O)C(=O)OCC1N
SubComponent,Substitute a CCC(CO)N1C(=O)C2C3C(=O)OC(c4ccccc4)C(COC)NC(=O)CCC=CC3OC23C=CCN(Cn2nnc4ccccc42)C(=O)C13 in the molecule hydroxyl with a carboxyl.,CCC(CC(=O)[OH])N1C(=O)C2C3C(=O)OC(c4ccccc4)C(COC)NC(=O)CCC=CC3OC23C=CCN(Cn2nnc4ccccc42)C(=O)C13
DelComponent,Modify the molecule COc1cccc(C(=O)C(C)CCC[NH3+])c1 by removing a benzene ring.,COC(=O)C(C)CCC[NH3+]
LogP,Please optimize the molecule Cc1cc(OCCn2c(C3CC(=O)N(c4c(C)cccc4C)C3)nc3ccccc32)ccc1Cl to have a lower LogP value.,Cc1cc(OCCn2c(C3CC(=O)N(c4c(C)cccc4C)C3)nc3ccccc32)ccc1S
MR,Please modify the molecule COC(=O)C1c2ccc(OCc3cc(Br)ccc3OC)cc2CCN1C(=O)OC(C)(C)C to increase its MR value.,COC(=O)C1c2ccc(OCc3cc(Br)cc(S)c3OC)cc2CCN1C(=O)OC(C)(C)C
QED,Modify the molecule CCc1nc(C(=O)N2CCCC3(CC[NH+](Cc4cccc(CCOCCC(=O)N(CC[NH2+]CCc5ccc(O)c6c5OCC(=O)N6)C5CCCC5)c4Cl)CO3)C2)cs1 to decrease its QED value.,CC(=O)c1c(CCOCCC(=O)N(CC[NH2+]CCc2ccc(O)c3c2OCC(=O)N3)C2CCCC2)cccc1C[NH+]1CCC2(CCCN(C(=O)c3csc(CC)n3)C2)OC1
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCCNc1cc(C)ccc1C(=O)N(C)CCC(C)O
BondNum,"The molecule consists of 15 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",O=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(C[NH+]2CCCCCC2)cc1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, 1 nitro group, 2 halo groups, and 1 sulfone group.",O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1F
AddComponent,Please add a hydroxyl to the molecule Cc1sc(NS(=O)(=O)Cc2ccccc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2.,Cc1sc(NS(=O)(=O)Cc2ccccc2)nc1-c1ccc2c(c1)N(C)C(=O)C(O)O2
SubComponent,Modify the molecule halo by substituting a O=C(c1ccc2oc(NCc3cccc(Cl)c3)nc2c1)N(Cc1cccnc1)C1CC1 with a hydroxyl.,O=C(c1ccc2oc(NCc3cccc(O)c3)nc2c1)N(Cc1cccnc1)C1CC1
DelComponent,Modify the molecule halo by removing a CC1CN(C)CCC[NH+]1CC(=O)c1ccc(Br)s1.,CC1CN(C)CCC[NH+]1CC(=O)c1cccs1
LogP,Please optimize the molecule CC(CCO)[NH2+]CC1CCCCC1C to have a higher LogP value.,CC(CCO)[NH2+]CC1CCCC(c2ccccc2)C1C
MR,Please optimize the molecule CCCn1c(SCC(O)=C(C(=O)OC)c2nc3ccccc3[nH]2)nc2cc(Cl)ccc2c1=O to have a lower MR value.,CCCn1c(SCC=C(C(=O)OC)c2nc3ccccc3[nH]2)nc2cc(Cl)ccc2c1=O
QED,Please optimize the molecule CCc1ccc(C(C)NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 to have a lower QED value.,CCc1ccc(C(C)NC(=O)Nc2ccc(NC(=O)CC(C)C)c(N)c2)cc1
AtomNum,"There is a molecule composed of 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 fluorine atoms.",OCC(F)(F)CNCc1ccc2cnccc2c1
BondNum,"The molecule is composed of 10 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCC[NH2+]Cc1cccc(Cl)c1Oc1cc(C)ccc1Cl
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 2 halo groups, 1 thioether group, and 1 sulfide group.",Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccc(F)c(Cl)c1
AddComponent,Modify the molecule O=C(C(=O)N1CCOCC1)c1ccccc1N1CCOCC1 by adding a carboxyl.,O=C(O)c1ccc(N2CCOCC2)c(C(=O)C(=O)N2CCOCC2)c1
SubComponent,Substitute a Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC([NH+]4CC(CC(c5ccc(Cl)cc5Cl)n5nc(C)c6ncc(N7CC(C)C([NH+]8CCCC8)CC7C)nc65)CC4C)C(C)C3)cnc12 in the molecule halo with a aldehyde.,CC(=O)c1ccc(C(C)n2nc(C)c3ncc(N4CCC([NH+]5CC(CC(c6ccc(Cl)cc6Cl)n6nc(C)c7ncc(N8CC(C)C([NH+]9CCCC9)CC8C)nc76)CC5C)C(C)C4)nc32)c(Cl)c1
DelComponent,Remove a amine from the molecule CC(N)=[NH+]CC(C)c1ccccc1.,CC=[NH+]CC(C)c1ccccc1
LogP,Modify the molecule Cc1ccc2nc(NC(=O)c3c(C)oc(C)c3Br)sc2c1 to have a lower LogP value.,Cc1ccc2nc(NC(=O)c3c(C)oc(C)c3C#N)sc2c1
MR,Please modify the molecule CCSCCN1CC(CC)(CC)[NH2+]CC1C(C)C to increase its MR value.,CCSCCN1CC(CC)(CC)[NH2+]CC1C(C)(C)S
QED,Modify the molecule CCC(=O)Nc1cc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4cc(F)ccc4F)c3C)CC2)C(C)C)ccc1F to have a lower QED value.,CCC(=O)Nc1cc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4cc(F)ccc4F)c3C)CC2S)C(C)C)ccc1F
AtomNum,"There is a molecule consisting of 23 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CC(=O)N(Cc1ccsc1)C1CC12CC[NH+](Cc1cccc3c1NCC3)CC2
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",COc1ccc(C2=CC[NH+](C(C)C(=O)Nc3cc(C)on3)CC2)cc1
FunctionalGroup,"There is a molecule composed of 4 benzene ring groups, 1 amine group, and 1 nitro group.",O=[N+]([O-])c1ccc(C2N(c3ccccc3)[NH+]=C(c3ccccc3)N2c2ccc(N3CCOCC3)cc2)cc1
AddComponent,Add a hydroxyl to the molecule C=CC(=CC=CC)CON=CC(=O)NCCc1cccc(OC(F)(F)F)c1.,C=CC(=CC=CC)CON=CC(=O)NCCc1cccc(OC(F)(F)F)c1O
SubComponent,Please substitute a halo in the molecule Nc1c(F)cc(C(=O)N(CC(F)(F)F)C2CC2)cc1F with a nitro.,Nc1c(F)cc(C(=O)N(CC(F)(F)F)C2CC2)cc1NO
DelComponent,Please remove a CC1(C)CN(C[NH+]2C=C([NH+]3CCOCC3)c3cc(-c4c(F)ccc5[nH]ccc45)oc3C2)CC[NH2+]1 from the molecule halo.,CC1(C)CN(C[NH+]2C=C([NH+]3CCOCC3)c3cc(-c4cccc5[nH]ccc45)oc3C2)CC[NH2+]1
LogP,Please optimize the molecule CSc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(Cl)n1 to have a lower LogP value.,CSc1ccccc1Nc1cc(-c2cccc(OC(F)F)c2)nc(Cl)n1
MR,Please modify the molecule COc1ccc(OC)c(CC(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 to increase its MR value.,COc1ccc(OC)c(CC(=O)Nc2ccc(S)c(NC(=O)Cc3ccccc3)c2)c1
QED,Please optimize the molecule O=C(NC1CC[NH2+]CC1C(=O)c1ccncc1)c1c(F)cccc1Cl to have a lower QED value.,N#Cc1cccc(Cl)c1C(=O)NC1CC[NH2+]CC1C(=O)c1ccncc1
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1cccc(OC2=NS(=O)(=O)c3ccccc32)c1
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, and 9 rotatable bonds.",CCCC(CCC)C(=O)NCCCCCl
FunctionalGroup,"Please generate a molecule composed of 2 hydroxyl groups, and 1 sulfone group.",CCCC[N+]1=C(C=Cc2c(O)c3ccc(N(C)C)cc3oc2=O)C(C)(C)c2cc(S(=O)(=O)O)ccc21
AddComponent,Add a benzene ring to the molecule NC(=O)NCC[NH2+]Cc1ccc2c(c1)OCCCO2.,NC(=O)NCC[NH2+]Cc1cc2c(cc1-c1ccccc1)OCCCO2
SubComponent,Substitute a hydroxyl in the molecule CCCCOc1cccc(CC(NC(=O)c2coc(NS(C)(=O)=O)n2)C(O)C[NH2+]Cc2cccc(CC)c2)c1 with a nitrile.,CCCCOc1cccc(CC(NC(=O)c2coc(NS(C)(=O)=O)n2)C(C#N)C[NH2+]Cc2cccc(CC)c2)c1
DelComponent,Modify the molecule NNC(c1cccnc1N)C1CCCOC1 by removing a amine.,NNC(c1cccnc1)C1CCCOC1
LogP,Please modify the molecule CC(C)C1CCC(C(=O)[O-])C(Cc2cccc(Cl)c2F)C1 to decrease its LogP value.,CC(=O)c1cccc(CC2CC(C(C)C)CCC2C(=O)[O-])c1F
MR,Please optimize the molecule COc1ccc(OC)c(CC(C(=O)[O-])c2ccc(Cl)cc2)c1 to have a lower MR value.,COc1ccc(OC)c(CC(Cl)C(=O)[O-])c1
QED,Please optimize the molecule COc1cccc(C2=C(O)C(=O)N(c3ccccc3C)C2c2ccc(OCC(C)C)cc2)c1 to have a lower QED value.,COc1cccc(C2=C(C(=O)[OH])C(=O)N(c3ccccc3C)C2c2ccc(OCC(C)C)cc2)c1
AtomNum,"There is a molecule consisting of 10 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CC(=O)c1nc2c(c(=O)n(C)c(=O)n2C)n1C
BondNum,"Please generate a molecule composed of 16 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CNc1nc(OC(C)C)nc(N2CCC(C(C)O)CC2)n1
FunctionalGroup,"The molecule consists of 1 ketone group, and 1 amine group.",O=C(c1ccc2c(c1)CCN2)C1CCCCCC1
AddComponent,Add a amine to the molecule CC(C)COCC[NH2+]C1CCSC1.,CC(C)COCC[NH2+]C1CCSC1N
SubComponent,Please substitute a CC(=O)Nc1ccc(OC(=O)Cc2ccccc2)cc1Br in the molecule halo with a aldehyde.,CC(=O)c1cc(OC(=O)Cc2ccccc2)ccc1NC(C)=O
DelComponent,Please remove a benzene ring from the molecule Cc1cccc(NC2(C[NH3+])CC(C)[NH+](C)C2)c1.,CNC1(C[NH3+])CC(C)[NH+](C)C1
LogP,Please modify the molecule Cc1cnc(CNC(C)CS(C)(=O)=O)c(C)c1[N+](=O)[O-] to decrease its LogP value.,Cc1cnc(CNC(C)CS(C)(=O)=O)c(C)c1[SH]=O
MR,Modify the molecule C=CCCOC(=O)C1C2CCC3(S2)C1C(=O)N(C(C)CO)C3C(=O)N(CC=C)c1ccc(Cl)cc1 to have a lower MR value.,C=CCCOC(=O)C1C2CCC3(S2)C1C(=O)N(C(C)CO)C3C(=O)N(CC=C)c1ccc(O)cc1
QED,Optimize the molecule CCCCC(C)C(=O)OCC(COOC=CSC)(COOC(C)=CS)COOC(C)=CS to have a lower QED value.,CCCCC(C)C(=O)OCC(COOC=CSC)(COOC(C)=CS)COOC(=CS)CO
AtomNum,"The molecule consists of 14 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 2 chlorine atoms.",O=C(c1ccc(Cl)nc1)N1CCN(c2cc(Cl)ncn2)CC1
BondNum,"The molecule contains 32 single bonds, 7 double bonds, 18 rotatable bonds, and 18 aromatic bonds.",CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)[O-])C(=O)[O-]
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, and 6 halo groups.",Cc1ccccc1Oc1nc(-c2ncccn2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
AddComponent,Please add a amine to the molecule N#CCCOCCN(CC[NH3+])CCOCC[NH3+].,N#CC(N)COCCN(CC[NH3+])CCOCC[NH3+]
SubComponent,Substitute a Cc1nsc(C(C#N)CO)n1 in the molecule hydroxyl with a nitrile.,Cc1nsc(C(C#N)CC#N)n1
DelComponent,Modify the molecule amide by removing a CC1(C)CN(N2CCCC2=O)c2cc(Br)ccc2S1=O.,CCN1CC(C)(C)S(=O)c2ccc(Br)cc21
LogP,Optimize the molecule N#Cc1ccc(Cn2cc(-c3ccncc3)c(-c3ccc(F)cc3)n2)cc1 to have a lower LogP value.,N#Cc1ccc(Cn2cc(-c3ccncc3)c(-c3ccc(O)cc3)n2)cc1
MR,Please optimize the molecule CCCN1CC[NH+](C2CCCc3c(O)cccc32)CC1 to have a higher MR value.,CCCN1CC[NH+](C2CCCc3c(Br)cccc32)CC1
QED,Modify the molecule COC(=O)CC[NH+]1CCN(C(=O)C=Cc2cccs2)CC1 to have a lower QED value.,COC(=O)CC[NH+]1CCN(C(=O)C=C(c2ccccc2)c2cccs2)CC1
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",CCC(CCO)CNS(=O)(=O)c1ccc(CCCl)cc1
BondNum,"The molecule has 18 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",C[NH+]=C(NCC[NH+]1CCCCCC1)NCc1ccc(C)cc1OC
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 3 amine groups, and 2 halo groups.",CCNC(NC(C)(C)C)=[NH+]Cc1cc(Br)ccc1F
AddComponent,Modify the molecule COC(=O)C1=C(C)NC(SCC(C)C(=O)N2CCCC2C(=O)[O-])=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] by adding a hydroxyl.,COC(=O)C1=C(C)NC(SCC(C)C(=O)N2CCC(O)C2C(=O)[O-])=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
SubComponent,Please substitute a halo in the molecule CCCC(=O)c1cnc2c(COC(=O)c3ccc(OC)cc3)cccc2c1Cl with a thiol.,CCCC(=O)c1cnc2c(COC(=O)c3ccc(OC)cc3)cccc2c1S
DelComponent,Remove a CCNC(Nc1ccc(OC)c(OCC)c1)=[NH+]CCCCCOC from the molecule benzene ring.,CCNC(=[NH+]CCCCCOC)N(OC)OCC
LogP,Optimize the molecule O=S(=O)(c1ccccc1Cl)N1CCC(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1 to have a lower LogP value.,O=C([OH])c1ccccc1S(=O)(=O)N1CCC(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1
MR,Optimize the molecule O=c1c(S(=O)(=O)c2ccc(F)cc2)c[nH]c2ccc(Cl)cc12 to have a higher MR value.,O=c1c(S(=O)(=O)c2ccc(S)cc2)c[nH]c2ccc(Cl)cc12
QED,Please optimize the molecule COc1cc(NCc2cnccc2C)cc[nH+]1 to have a lower QED value.,COc1[nH+]ccc(NCc2cnccc2C)c1-c1ccccc1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC(CC(=O)NC(C)CC#N)CC(C)(C)C
BondNum,"The molecule has 20 single bonds, 6 double bonds, 15 rotatable bonds, and 18 aromatic bonds.",COC(=O)c1cccc(CS(=O)(=O)NC(CCCc2ccccc2)C(=O)NCC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,CC(C)(C)OC(=O)N1C(C2=NC=C(c3ccc(C#Cc4ccc5nc(C6CC7CC7N6C(=O)OC(C)(C)C)[nH]c5c4)cc3)C2)CC2CC21
AddComponent,Please add a carboxyl to the molecule CC[NH2+]C1CCC(Sc2nnnn2C)C1.,CC[NH2+]C1CCC(Sc2nnnn2C)C1C(=O)O
SubComponent,Modify the molecule COc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1F by substituting a halo with a hydroxyl.,COc1ccc(NC(=O)C2(c3cccc(O)c3)CCCC2)cc1F
DelComponent,Modify the molecule Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Cn4cccn4)CC3)n2)cc1 by removing a benzene ring.,CNc1nc(C)cc(N2CCN(C(=O)Cn3cccn3)CC2)n1
LogP,Please modify the molecule Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCO)c[nH]4)c3)cc2)c1 to increase its LogP value.,Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCBr)c[nH]4)c3)cc2)c1
MR,Optimize the molecule CCOC(=O)CCC(=O)Nc1ccccc1N1CCOCC1 to have a lower MR value.,CCOC(=O)Cc1ccccc1N1CCOCC1
QED,Modify the molecule CCOCC12CCN(C(C)=O)CC1CN(C(=O)Cc1ccccc1F)C2 to have a higher QED value.,CCOCC12CCCC1CN(C(=O)Cc1ccccc1F)C2
AtomNum,"The molecule is composed of 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=C(NC1CCC(C(=O)N2CCSCC2)CC1)C1CCC[NH2+]1
BondNum,"The molecule contains 9 single bonds, 3 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccco1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 halo group.",CC[NH2+]Cc1cc(F)ccc1OC(C)C(=O)N(CC)CC
AddComponent,Please add a hydroxyl to the molecule CCCCc1ccc(C(=S)SS)cc1.,CCCCc1ccc(C(=S)SS)c(O)c1
SubComponent,Substitute a halo in the molecule O=C(CCNc1ccc(N2CCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 with a carboxyl.,O=C([OH])c1ccc(N2CCN(C(=O)CCNc3ccc(N4CCCC4)cc3)CC2)cc1
DelComponent,Please remove a COc1ccc(CCn2c(-n3ncc4ccc(OC)c(OC)c4c3=O)nc3c2c(=O)n(C)c(=O)n3C)cc1 from the molecule benzene ring.,COCCn1c(-n2ncc3ccc(OC)c(OC)c3c2=O)nc2c1c(=O)n(C)c(=O)n2C
LogP,Modify the molecule CCCCCCCCCCC([NH2+]C)C1CC1C to have a lower LogP value.,CCCCCCCCCCC([NH2+]C)C1C(C)C1O
MR,Optimize the molecule COc1ccc(Br)cc1CC1([NH3+])CCC(C(F)(F)F)CC1 to have a lower MR value.,COc1ccccc1CC1([NH3+])CCC(C(F)(F)F)CC1
QED,Please modify the molecule Cn1ccc2cc(NC(=O)Nc3ccc(C(N)=[NH+]c4ccccc4)cc3)ccc21 to increase its QED value.,Cn1ccc2cc(NC(=O)Nc3ccc(C(=[NH+])N)cc3)ccc21
AtomNum,"There is a molecule consisting of 13 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",[NH3+]C(CO)c1nc(C(=O)NCC2CCCCC2)co1
BondNum,"There is a molecule consisting of 20 single bonds, 1 double bond, and 2 rotatable bonds.",FC(F)(F)C(F)(F)C1=NS1(F)C(F)(C(F)(F)F)C(F)(F)F
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 thioether group, and 1 sulfide group.",Cc1ccc(-n2c(SC(C)C(=O)NC(C)C)nnc2-c2ccncc2)cc1
AddComponent,Modify the molecule CC1CN(CC2([NH3+])CCCC2)CC(C)(C)O1 by adding a benzene ring.,CC1(C)CN(CC2([NH3+])CCCC2)CC(C)(c2ccccc2)O1
SubComponent,Modify the molecule halo by substituting a CCC[NH2+]C1c2c(c(OC)cc(Br)c2OC)CSCC1C with a nitro.,CCC[NH2+]C1c2c(c(OC)cc(NO)c2OC)CSCC1C
DelComponent,Modify the molecule Cc1ccc(OCC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1 by removing a amide.,Cc1ccc(OC2CCN(c3cc(C)nc(N4CCCCC4)n3)C2)cc1
LogP,Modify the molecule C=CCc1ccccc1OCCCn1c(CNC(=O)C(=C)C)nc2ccccc21 to have a lower LogP value.,C=CCOCCCn1c(CNC(=O)C(=C)C)nc2ccccc21
MR,Modify the molecule CCOC(=O)N1CCC(NC(NCCc2ccco2)=[NH+]CC(C)(O)c2ccco2)CC1 to decrease its MR value.,CCOC(=O)N1CCC(NC(NCCc2ccco2)=[NH+]CC(C)c2ccco2)CC1
QED,Please optimize the molecule CCOC(=O)c1sc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)nc1-c1ccccc1 to have a higher QED value.,CCOC(=O)c1cnc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)s1
AtomNum,"There is a molecule consisting of 8 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 2 fluorine atoms, and 1 chlorine atom.",N#CCc1cc(Cl)nc([N+](=O)[O-])c1C(F)F
BondNum,"Please generate a molecule with 14 single bonds, 3 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",CCOc1ccccc1NC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 3 halo groups.",COc1cc(C(C)CO)c(OC)c(C(F)(F)F)c1
AddComponent,Please add a benzene ring to the molecule Oc1cccc(C2c3[nH]c4ccccc4c3CC[NH+]2Cc2ccsc2)c1.,Oc1cccc(C2c3[nH]c4ccccc4c3CC[NH+]2C(c2ccccc2)c2ccsc2)c1
SubComponent,Substitute a hydroxyl in the molecule CC(C)C(O)C[NH2+]Cc1ccc(Br)cc1 with a halo.,CC(C)C(Br)C[NH2+]Cc1ccc(Br)cc1
DelComponent,Remove a halo from the molecule CC([NH3+])CC1CCCc2nnc(Cl)n21.,CC([NH3+])CC1CCCc2nncn21
LogP,Please modify the molecule Nn1c(SC(C(=O)NC2CC2)c2ccccc2)nnc1-c1cccc(Cl)c1 to decrease its LogP value.,Nn1c(Cl)nnc1SC(C(=O)NC1CC1)c1ccccc1
MR,Optimize the molecule OCC1OC([n+]2cc(Br)c3ccccc3c2)CC(O)C1O to have a lower MR value.,OCC1OC([n+]2cc(Br)c3ccccc3c2)CCC1O
QED,Optimize the molecule CCc1sc(-c2ccc(I)cc2)nc1CCl to have a higher QED value.,CC(=O)c1ccc(-c2nc(CCl)c(CC)s2)cc1
AtomNum,"The molecule has 37 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CCN(CC)C(=O)c1cc(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(C(=O)Nc4ccc(C)cc4F)cc3)CC2)ccc1Cl
BondNum,"The molecule consists of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)OC(=O)NC(C(=O)[O-])c1ccc2c(c1)OCO2
FunctionalGroup,There is a molecule with and 2 amine groups.,C=CCCC(NC1=[NH+]CCCCCCCCCCC1)c1ccco1
AddComponent,Please add a benzene ring to the molecule COc1ccc(OC)c(C=CC(=O)Nc2cc(C)ccc2C)c1.,COc1ccc(OC)c(C=C(C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a N#CC(=CNc1cc(Cl)ccc1O)C(=O)N1CCC(C(=O)[O-])CC1 with a hydroxyl.,N#CC(=CNc1cc(O)ccc1O)C(=O)N1CCC(C(=O)[O-])CC1
DelComponent,Remove a benzene ring from the molecule CCc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1.,CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2
LogP,Please optimize the molecule COC(=O)CCSc1ccc(S(=O)(=O)N(C)C)cc1N to have a lower LogP value.,COC(=O)CCSc1ccc(S(=O)(=O)N(C)CN)cc1N
MR,Please modify the molecule O=C(OCc1ccccc1)C(=O)C1OC1c1ccccc1 to decrease its MR value.,O=C(OCc1ccccc1)C(=O)C1CO1
QED,Please modify the molecule Cc1cc(Cl)ccc1Oc1ccc(N)cc1C(F)(F)F to increase its QED value.,Cc1cc(Cl)ccc1Oc1c(N)cc(N)cc1C(F)(F)F
AtomNum,"The molecule is composed of 21 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC[N+]1=C(C=NN(C)c2ccc(OC)cc2)C(C)(C)c2ccccc21
BondNum,"The molecule consists of 13 single bonds, 1 double bond, 7 rotatable bonds, and 15 aromatic bonds.",COCc1nc(OC)c2c(C)c(C(=O)NCc3csc(C(C)C)n3)sc2n1
FunctionalGroup,The molecule consists of and 1 benzene ring group.,CCCCCCCCCCCCCCC#CCOCc1ccc(CO[Si](CC)(CC)C(C)(C)C)cc1
AddComponent,Please add a hydroxyl to the molecule CC(C)([NH3+])C(O)c1cc(Cl)c2c(c1)OCCO2.,CC(C)([NH3+])C(O)c1cc(Cl)c2c(c1)OC(O)CO2
SubComponent,Substitute a halo in the molecule NC(=O)c1cc(NCc2cc(F)c(F)c(F)c2)ccc1F with a nitro.,NC(=O)c1cc(NCc2cc(F)c(F)c(NO)c2)ccc1F
DelComponent,Modify the molecule CCC(C)(Cl)C(C)=NC(C)C by removing a halo.,CCC(C)C(C)=NC(C)C
LogP,Modify the molecule CC1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 to decrease its LogP value.,CC1CCC(C(=O)Nc2ccc(O)cc2F)CC1
MR,Optimize the molecule Cn1ccnc1CNC(=O)C1CC(COc2ccc3c(c2)OCO3)NN1 to have a higher MR value.,Cn1ccnc1CNC(=O)C1CC(COc2cc3c(c(C(=O)O)c2)OCO3)NN1
QED,Please optimize the molecule O=C(Nc1cccc(Br)n1)c1cccc(C(F)(F)F)c1F to have a higher QED value.,CC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2F)n1
AtomNum,"The molecule is composed of 12 carbon atoms, and 1 nitrogen atom.",C=CC=C(C=CC)C[NH+](C)C(C)C
BondNum,"There is a molecule consisting of 9 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1cc(C(O)CSc2ccccc2C)ccc1Cl
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 amide group, 2 amine groups, and 1 halo group.",CC(=O)NCCOc1nonc1C(NO)=[NH+]C1Cc2ccc(F)cc21
AddComponent,Please add a benzene ring to the molecule Cc1cc(N)cc2c(=O)cc(C(=O)NCCO)oc12.,Nc1cc(Cc2ccccc2)c2oc(C(=O)NCCO)cc(=O)c2c1
SubComponent,Substitute a halo in the molecule CCCCNC(=O)C1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 with a nitrile.,CCCCNC(=O)C1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])C1
DelComponent,Modify the molecule benzene ring by removing a CCCCC#CC(C)=C(C#Cc1ccccc1)CC.,C#CC(CC)=C(C)C#CCCCC
LogP,Please modify the molecule CC(C)(C)CC(=O)NC1CCC(C(=O)N2CCC3(C)c4cccc(O)c4CC2C3(C)C)C1 to increase its LogP value.,CC(C)(C)CC(=O)NC1CCC23Cc4c(O)cccc4C(C)(CCC12)C3(C)C
MR,Please optimize the molecule CC1CCC(O)C(C2CCCN2C(=O)NC2CC[NH+](C)C2c2ccccc2)C1 to have a lower MR value.,CC1CCC(O)C(C2CCCN2C(=O)NC2CC[NH+](C)C2)C1
QED,Optimize the molecule C(#Cc1ccc2c(n1)c1c(c3ccccc32)C=CCN1)c1ccc(-c2cccc3c2sc2ccccc23)cc1 to have a lower QED value.,C(#Cc1ccc2c(n1)c1c(c3ccccc32)C=CCN1)c1ccc(-c2cc(-c3ccccc3)cc3c2sc2ccccc23)cc1
AtomNum,"Please generate a molecule composed of 32 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",CC(C(=O)Nc1cc(C(N)=O)ccc1Cl)[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, and 14 aromatic bonds.",CC1COCc2nc3c(N)[nH]c4cc(=O)ccc-4c3n21
FunctionalGroup,There is a molecule consisting of and 3 halo groups.,[NH3+]CCCC[NH+](Cc1nccc2c3ccccc3n(CC(F)(F)F)c12)C1CCCc2cccnc21
AddComponent,Please add a carboxyl to the molecule CCOC(=O)c1sc2nc(C)nc(Oc3ccc(C#N)cc3OC)c2c1C.,COc1cc(C#N)ccc1Oc1nc(C)nc2sc(C(=O)OCCC(=O)O)c(C)c12
SubComponent,Modify the molecule halo by substituting a CC1=CCN(c2ccc(Cl)c(C[NH2+]C3CC3)n2)CC1 with a thiol.,CC1=CCN(c2ccc(S)c(C[NH2+]C3CC3)n2)CC1
DelComponent,Please remove a CCC(C)(C)C1CCC2(CC1)CC2C(=O)N1CCC2(CC1)NC(=O)NC2=O from the molecule amide.,CCC(C)(C)C1CCC2(CC1)CC2C(=O)N1CCC(NC=O)C1
LogP,Optimize the molecule CCCOc1cc(C)nc(NC(CC)COC)n1 to have a lower LogP value.,CCCOc1nc(NC(CC)COC)nc(C)c1O
MR,Please optimize the molecule Cc1cc(C(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)nn1C(C)C1CC1 to have a higher MR value.,Cc1cc(C(=O)N2CCOc3cc(C(=O)O)c(S(C)(=O)=O)cc32)nn1C(C)C1CC1
QED,Please optimize the molecule COc1cccc(OCC2CCCN(C(=O)c3ncc(F)cc3F)C2)c1 to have a higher QED value.,COc1cccc(OCC2CCCN(C(=O)c3ncc(F)cc3F)C2N)c1
AtomNum,"Please generate a molecule with 45 carbon atoms, and 6 oxygen atoms.",CCCCCCCCCCOc1cc(C(=O)CC(=O)c2ccc(O)cc2)cc(OCCCCCCCCCC)c1OCCCCCCCCCC
BondNum,"The molecule is composed of 11 single bonds, 1 double bond, 9 rotatable bonds, and 18 aromatic bonds.",CSCc1ccc(NC(=O)COc2ccccc2OCc2ccccc2)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, 1 ester group, and 3 halo groups.",CCC(C(=O)OC)C(C)(O)c1ccc(OC(F)(F)F)cc1
AddComponent,Modify the molecule O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Nc2ccc(F)cc2)ccn1 by adding a hydroxyl.,O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Nc2ccc(F)cc2O)ccn1
SubComponent,Modify the molecule Cc1ccc(C)c(NC(=O)COC(=O)c2cccnc2SC(F)F)c1 by substituting a halo with a thiol.,Cc1ccc(C)c(NC(=O)COC(=O)c2cccnc2SC(F)S)c1
DelComponent,Please remove a benzene ring from the molecule CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(C)nc32)cc1.,CCOn1c(=O)[nH]c2c(C(N)=O)nc(C)nc21
LogP,Modify the molecule COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)ccc3O)C2c2cccnc2)c(C)c1 to have a higher LogP value.,COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)ccc3C#N)C2c2cccnc2)c(C)c1
MR,Modify the molecule CCCC1(OCC2C=C(C)C=C(C=O)CC(C)CC(CC=O)C(SOC3OC(C)C(O)C([NH+](C)C)C3O)C(C)C(O)CC(=O)OC2CC)OC(C)C(O)C(OC)C1OC to decrease its MR value.,CCCC1(OCC2C=C(C)C=C(C=O)CC(C)CC(CC=O)C(SOC3OC(C)C(O)C([NH+](C)C)C3O)C(C)CCC(=O)OC2CC)OC(C)C(O)C(OC)C1OC
QED,Optimize the molecule C[NH+](Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1)CC(O)c1ccccc1 to have a higher QED value.,C[NH+](CCc1ccccc1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",CC(C)(C)C(=O)N1CCCC(C(=O)NC(C(=O)[O-])c2ccc3c(c2)CCO3)C1
BondNum,"The molecule consists of 14 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCOc1ccc(NC(=S)N2CCC(C(=O)[O-])CC2)cc1
FunctionalGroup,"The molecule contains 10 halo groups, and 3 sulfone groups.",O=S(=O)(C(F)(F)F)C(Br)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
AddComponent,Please add a benzene ring to the molecule CC(C)c1cc(C#N)c(=O)[nH]c1-c1ccccc1.,CC(Cc1ccccc1)c1cc(C#N)c(=O)[nH]c1-c1ccccc1
SubComponent,Substitute a Cc1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O in the molecule hydroxyl with a thiol.,Cc1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1S
DelComponent,Remove a Cc1c(C(=O)c2ccccc2)c2c(c(=O)c(C(=O)[O-])cn2Cc2ccccc2)n1CC(=O)[O-] from the molecule benzene ring.,Cc1c(C=O)c2c(c(=O)c(C(=O)[O-])cn2Cc2ccccc2)n1CC(=O)[O-]
LogP,Modify the molecule Cc1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)o1 to have a higher LogP value.,Cc1nc(-c2ccc(S)cc2)c(-c2ccc(S(N)(=O)=O)cc2)o1
MR,Please optimize the molecule CCOCCCNC(=O)NC1CCN(C(=O)C=Cc2cccc(F)c2)CC1 to have a higher MR value.,CCOCCCNC(=O)NC1CCN(C(=O)C=Cc2cccc(O)c2)CC1
QED,Optimize the molecule OC(Cc1ccc(Br)o1)c1ccoc1 to have a lower QED value.,Brc1ccc(CCc2ccoc2)o1
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)n1cc(CC[NH3+])c2cc(CS(N)(=O)=O)ccc21
BondNum,"The molecule consists of 7 single bonds, 1 double bond, 1 triple bond, and 11 aromatic bonds.",N#Cc1ccc2cc3c(cc2c1)C1C=CC3C1
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 amide group, 2 thioether groups, and 1 sulfide group.",CCC(O)CCNC(=O)C(CC)SC
AddComponent,Please add a hydroxyl to the molecule C[n+]1c2ccccc2cc2[nH]c3ccc([N+](=O)[O-])cc3c21.,C[n+]1c2c(O)cccc2cc2[nH]c3ccc([N+](=O)[O-])cc3c21
SubComponent,Please substitute a halo in the molecule [NH3+]C(Cc1ccc(F)c(F)c1)c1ccc2c(c1)COC2 with a hydroxyl.,[NH3+]C(Cc1ccc(O)c(F)c1)c1ccc2c(c1)COC2
DelComponent,Remove a nitrile from the molecule CCC1=C(CC)[NH+](C)C(=c2ccc3cc4cc(=C(C#N)C=N)ccc4cc3c2)S1.,CCC1=C(CC)[NH+](C)C(=c2ccc3cc4cc(=CC=N)ccc4cc3c2)S1
LogP,Optimize the molecule CN(CC1CC2CCC1C2)C(=O)c1cc(F)c(N)c(F)c1 to have a higher LogP value.,CN(CC1CC2CCC1C2)C(=O)c1cc(F)cc(F)c1
MR,Optimize the molecule CC(NC(=O)c1ccc(-c2nc(CCN(C)C(=O)c3ccccc3)no2)cc1)c1ccccc1 to have a lower MR value.,CC(NC(=O)c1ccc(-c2nc(CCN(C)C=O)no2)cc1)c1ccccc1
QED,Modify the molecule CNc1cncc(N2CC[NH2+]CC2)c1 to increase its QED value.,CNc1cncc(N2CC[NH2+]C(c3ccccc3)C2)c1
AtomNum,"There is a molecule composed of 21 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",CCn1cc(NC(=O)c2cccc(COc3ccc(Cl)cc3C)c2)c(C(N)=O)n1
BondNum,"Please generate a molecule composed of 22 single bonds, 5 double bonds, 9 rotatable bonds, and 16 aromatic bonds.",Nc1cc[n+](CC2=C(C(=O)O)N3C(=O)C(NC(=O)C(=NOCc4csc(N)n4)c4csc(N)n4)C3SC2)cc1
FunctionalGroup,There is a molecule composed of and 1 amide group.,Cc1cncc(C(=O)N2CCCC2C)c1
AddComponent,Add a hydroxyl to the molecule N#CNC(=NCC1CC1)NC1CCCCN(CC(=O)N2CCCC2)C1=O.,N#CNC(=NCC1CC1)NC1(O)CCCCN(CC(=O)N2CCCC2)C1=O
SubComponent,Modify the molecule halo by substituting a NC(=O)C[NH+]1CC(F)CC1CNC(=O)c1cscn1 with a nitro.,NC(=O)C[NH+]1CC(NO)CC1CNC(=O)c1cscn1
DelComponent,Please remove a CCCCCCCCCCn1cc2c(N)ncnc2n1 from the molecule amine.,CCCCCCCCCCn1cc2cncnc2n1
LogP,Modify the molecule C=CCCC(=O)N1CCCCC1CNC(=O)CC[NH3+] to have a higher LogP value.,C=CCCC(=O)N1CCCC(c2ccccc2)C1CNC(=O)CC[NH3+]
MR,Please modify the molecule COC(c1ccc(-c2cnc(N)nc2)cc1)C(CF)n1cc(CC[NH+](C)C2CC(C)OC(OC3C(C)C(C4CC(C)(OC)C(O)C(C)O4)C(C)C(=O)OC(I)C4(C)OC(=O)N(CCCSC)C4C(C)C(=O)C(C)CC3(C)OC)C2)nn1 to increase its MR value.,CC(=O)C1C(C)OC(C2C(C)C(=O)OC(I)C3(C)OC(=O)N(CCCSC)C3C(C)C(=O)C(C)CC(C)(OC)C(OC3CC([NH+](C)CCc4cn(C(CF)C(OC)c5ccc(-c6cnc(N)nc6)cc5)nn4)CC(C)O3)C2C)CC1(C)OC
QED,Please modify the molecule CC(C)c1c(C(=O)NNC(=O)c2ccccc2O)cnn1-c1ccc(Cl)cc1 to decrease its QED value.,CC(C)c1c(C(=O)NNC(=O)c2ccccc2I)cnn1-c1ccc(Cl)cc1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",COC(=O)c1ccc(NC(=O)CC2NC(=O)N(CCc3ccc(OC)cc3)C2=O)cc1
BondNum,"Please generate a molecule composed of 15 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CC1C2C[NH+](CC=Cc3ccccc3)CC12c1cccc(NS(C)(=O)=O)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, and 1 sulfide group.",CCOc1ccc(C(C)Nc2nnc(CC)s2)cc1
AddComponent,Modify the molecule OC1CCN(I)CC1F by adding a aldehyde.,O=CCC1CC(O)C(F)CN1I
SubComponent,Substitute a halo in the molecule CN(C)C(=O)C1CCN(C(=O)C=Cc2ccc(Cl)cc2)CC1 with a hydroxyl.,CN(C)C(=O)C1CCN(C(=O)C=Cc2ccc(O)cc2)CC1
DelComponent,Please remove a halo from the molecule CCOC(=O)c1cc2cc(Oc3ccc(Nc4nc5c(Cl)cc(C(F)(F)F)cc5[nH]4)cc3)ccc2o1.,CCOC(=O)c1cc2cc(Oc3ccc(Nc4nc5c(Cl)cc(C(F)F)cc5[nH]4)cc3)ccc2o1
LogP,Please optimize the molecule NC(=O)CN(CC(N)=O)c1nc2sccn2c1CO to have a higher LogP value.,NC(=O)CN(CC(N)=O)c1nc2sccn2c1CI
MR,Optimize the molecule COC(=O)C(C)C(C)S(=O)(=O)Cc1ccccc1Cl to have a higher MR value.,CC(=O)c1ccccc1CS(=O)(=O)C(C)C(C)C(=O)OC
QED,Modify the molecule Nc1ccc(NC(=O)CCc2ccc(O)cc2)cc1 to have a higher QED value.,N#Cc1ccc(CCC(=O)Nc2ccc(N)cc2)cc1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(C)(C)OC(=O)N1C(=O)SC(c2ccc([N+](=O)[O-])cc2)C1=O
BondNum,"There is a molecule with 86 single bonds, 6 double bonds, and 71 rotatable bonds.",CCC(C)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC(C)C)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 3 amide groups, and 1 halo group.",NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1
AddComponent,Please add a benzene ring to the molecule C[NH+](CC(=O)NCc1cncn1C1CC1)Cc1ccncc1.,C[NH+](CC(=O)NCc1cnc(-c2ccccc2)n1C1CC1)Cc1ccncc1
SubComponent,Modify the molecule halo by substituting a Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(F)c1 with a nitrile.,N#Cc1cc(N)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2
DelComponent,Modify the molecule O=C1C=CC(=O)C(CCc2ccc(N=NC3C(=O)c4ccccc4C3=O)cc2)=C1 by removing a benzene ring.,O=C1C=CC(=O)C(CCN=NC2C(=O)c3ccccc3C2=O)=C1
LogP,Please modify the molecule O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Oc2ccccc2)c1 to increase its LogP value.,O=S(=O)(c1ccccc1)N(N=Cc1cccc(Oc2ccccc2)c1)c1cccc(Cl)c1
MR,Please optimize the molecule CS(=O)(=O)NCCC1CCCCN1C(=O)Nc1ccccc1[N+](=O)[O-] to have a higher MR value.,CS(=O)(=O)NCCC1CCCCN1C(=O)Nc1ccccc1I=O
QED,Modify the molecule C[NH+]=C(NCCc1ccc(C)nc1)NCCc1cccc(C(=O)N(C)C)c1 to have a lower QED value.,C[NH+]=C(NCCC(=O)N(C)C)NCCc1ccc(C)nc1
AtomNum,"Please generate a molecule consisting 63 carbon atoms, 11 oxygen atoms, and 3 nitrogen atoms.",CN(C(=O)C12CC3OC(=O)C1N(Cc1cccc(C=C4CCC5OC5(C)CCC5C4CC5(C)C)c1)OC2C1OC(c2ccccc2)(c2ccccc2)OC31)C(Cc1ccccc1)C(=O)NC(CO)CCC(=O)OC(C)(C)C
BondNum,"Please generate a molecule composed of 17 single bonds, and 7 rotatable bonds.",CCCC(C)CC([NH2+]CC)C1CSCCN1C
FunctionalGroup,Please generate a molecule composed of and 1 sulfide group.,CCc1cnc(C[NH2+]Cc2cnn(C(C)(C)C)c2)s1
AddComponent,Modify the molecule [NH3+]C1CCC(C(=O)Nc2ncccc2Cl)C1 by adding a thiol.,[NH3+]C1CC(C(=O)Nc2ncccc2Cl)CC1S
SubComponent,Modify the molecule Cc1cc2cc(C)c1CN(C)C(=O)Nc1ccc([S-])c(c1)CNC(=O)C2Nc1cc2c(=O)nc[nH]c2cc1F by substituting a halo with a nitrile.,Cc1cc2cc(C)c1CN(C)C(=O)Nc1ccc([S-])c(c1)CNC(=O)C2Nc1cc2c(=O)nc[nH]c2cc1C#N
DelComponent,Remove a CCCCCCOCC(N)(C#N)C1CC1 from the molecule amine.,CCCCCCOCC(C#N)C1CC1
LogP,Please optimize the molecule CC1(C)SC2N(C(=O)C2(C)NC(=O)Cc2ccsc2N)C1C(=O)[O-] to have a higher LogP value.,CC1(C)SC2N(C(=O)C2(Cc2ccccc2)NC(=O)Cc2ccsc2N)C1C(=O)[O-]
MR,Please modify the molecule COc1cc(Br)c(CC[NH+]2C=CC(=O)CC2C(C)C)cc1OC to increase its MR value.,COc1cc(Br)c(CC[NH+]2C=CC(=O)CC2(O)C(C)C)cc1OC
QED,Modify the molecule CC[NH2+]CCCc1nnc(-c2cc3ccc(F)cc3s2)o1 to decrease its QED value.,CC[NH2+]CCCc1nnc(-c2cc3ccccc3s2)o1
AtomNum,"The molecule contains 22 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Oc3ccc(Cl)cc3)cc([N+](=O)[O-])c2)cc1
BondNum,"The molecule is composed of 10 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",O=C(CN1CSCC1=O)NCc1ccc2ccccc2c1
FunctionalGroup,"Please generate a molecule composed of 1 amine group, 1 nitro group, and 1 halo group.",Cc1nc(NC2CCc3c(F)cccc32)nc(-n2ccnc2C)c1[N+](=O)[O-]
AddComponent,Please add a hydroxyl to the molecule CN(C)C(=O)N1CCC(NCCC#N)C1.,CN(C)C(=O)N1CCC(NC(O)CC#N)C1
SubComponent,Modify the molecule hydroxyl by substituting a CCN(CCO)C(=O)c1cn(-c2ccc(Br)cc2)cn1 with a thiol.,CCN(CCS)C(=O)c1cn(-c2ccc(Br)cc2)cn1
DelComponent,Remove a benzene ring from the molecule CC(C)(C)[NH+]1CCC(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.,CC(C)(C)[NH+]1CCC(c2ccc(C(N)=O)c(Oc3ccccc3)n2)CC1
LogP,Modify the molecule CC1CCCC(C)[NH+]1CC(=O)Nc1ccccc1 to increase its LogP value.,CC1CCCC(C)[NH+]1c1ccccc1
MR,Please optimize the molecule COc1ccc(C(O)CC(=O)[O-])c(OC)c1C to have a higher MR value.,COc1ccc(C(O)(CC(=O)[O-])c2ccccc2)c(OC)c1C
QED,Please optimize the molecule FC(F)(F)c1ncc(Br)c2ccccc12 to have a higher QED value.,O=C([OH])C(F)(F)c1ncc(Br)c2ccccc12
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CS(=O)(=O)c1c(N)nc(N)nc1-c1ccc2c(c1)CCN2
BondNum,"The molecule has 8 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",COc1cc(Nc2c(-c3ccc(Cl)cc3)c(=O)c2=O)cc(OC)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, 1 halo group, and 1 nitrile group.",N#Cc1ccccc1COC(=O)c1ccc(Cl)nc1
AddComponent,Modify the molecule CC1CC1CN(CC(=O)C1CC1)c1cc(-c2nnc(C(C)([NH3+])Cc3ccccc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 by adding a benzene ring.,CC1CC1C(c1ccccc1)N(CC(=O)C1CC1)c1cc(-c2nnc(C(C)([NH3+])Cc3ccccc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1
SubComponent,Substitute a halo in the molecule CN(CC(F)F)c1cncc(C(=O)[O-])n1 with a hydroxyl.,CN(CC(O)F)c1cncc(C(=O)[O-])n1
DelComponent,Please remove a hydroxyl from the molecule C=CC(=CC)C1Oc2ccc(O)cc2C(C)=C1C(C)=C(F)C(=C)Cl.,C=CC(=CC)C1Oc2ccccc2C(C)=C1C(C)=C(F)C(=C)Cl
LogP,Please optimize the molecule O=C(C[NH+](Cc1ccsc1)C1CC1)N1CCc2sccc2C1 to have a higher LogP value.,c1cc(C[NH+](C2CC2)C2CCc3sccc32)cs1
MR,Optimize the molecule CC(C)c1nn(C)cc1C(N)=[NH+]O to have a higher MR value.,CC(C)c1nn(C)cc1C(N)=[NH+]S
QED,Please modify the molecule O=c1nccc2[nH]c(Nc3c(Cl)cc(I)cc3Cl)c3c(c1-2)C=NCC3 to decrease its QED value.,O=c1nc(O)cc2[nH]c(Nc3c(Cl)cc(I)cc3Cl)c3c(c1-2)C=NCC3
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCC(CC)N(C)S(=O)(=O)N1CCCC(CO)C1
BondNum,"The molecule has 7 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",C=Cc1ccsc1CC(C)(C)O[Si]
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 2 amide groups, and 1 halo group.",CCCNC(=O)C1C(c2cccc(NC(=O)c3cccc(Cl)c3)c2)OC(=O)N1Cc1ccc(C)cc1
AddComponent,Add a benzene ring to the molecule CC1=NNc2ccccc2C=C1c1ccc(C)cc1.,CC1=NNc2cccc(-c3ccccc3)c2C=C1c1ccc(C)cc1
SubComponent,Substitute a halo in the molecule CCC(Br)C(=O)Nc1cccc(-c2cnco2)c1 with a thiol.,CCC(S)C(=O)Nc1cccc(-c2cnco2)c1
DelComponent,Remove a amide from the molecule C[NH+](CC(=O)[O-])C1CCC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1.,C[NH+](CC(=O)[O-])C1CCC[NH+](C2(c3ccccc3)CCC2)CC1
LogP,Modify the molecule O=C(Cn1ccc(=O)c2ccccc21)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 to decrease its LogP value.,ONc1cccc(Cc2cnc(NC(=O)Cn3ccc(=O)c4ccccc43)s2)c1Cl
MR,Modify the molecule COc1cccc(Nc2ncc(C(C)=O)c3c2C2CCC3C2)c1 to decrease its MR value.,CONc1ncc(C(C)=O)c2c1C1CCC2C1
QED,Optimize the molecule O=C(Nc1ccc(F)cc1)c1cccc(Oc2cccc(Cl)n2)n1 to have a lower QED value.,Nc1cc(NC(=O)c2cccc(Oc3cccc(Cl)n3)n2)ccc1F
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C(COC(=O)c1ccc2ncsc2c1)Nc1ccccc1Cc1ccccc1
BondNum,"There is a molecule composed of 23 single bonds, 5 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",NC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3cccc(C(=O)Nc4ccccc4F)c3)CC2)ccc1Cl
FunctionalGroup,Please generate a molecule with and 3 halo groups.,CC(C)[NH2+]CC(COCC(F)(F)F)C(C)(C)C
AddComponent,Add a carboxyl to the molecule CCOC(=O)N1CCC(C(=O)Nc2ccc(C(C)N3CCCC(c4ccccc4)S3(=O)=O)c(F)c2)CC1.,CCOC(=O)N1CCC(C(=O)Nc2ccc(C(C)(C(=O)O)N3CCCC(c4ccccc4)S3(=O)=O)c(F)c2)CC1
SubComponent,Please substitute a halo in the molecule CC(C)N1C(=O)C(NC(=O)Cc2ccc(Cl)c(Cl)c2)N=C(c2ccccc2)c2ccccc21 with a thiol.,CC(C)N1C(=O)C(NC(=O)Cc2ccc(S)c(Cl)c2)N=C(c2ccccc2)c2ccccc21
DelComponent,Please remove a halo from the molecule CC(C)OCCS(=O)(=O)NCC(C)(C)CCCCl.,CCCC(C)(C)CNS(=O)(=O)CCOC(C)C
LogP,Please optimize the molecule Cc1ccc2cc(COC(=O)COc3ccc4c(c3)CCC4)c(Cl)nc2c1 to have a lower LogP value.,Cc1ccc2cc(COC(=O)COc3ccc4c(c3)CCC4)cnc2c1
MR,Please optimize the molecule CC(=O)c1cc(NC(C)C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)c(CO)c2)n1 to have a higher MR value.,CC(=O)c1cc(NC(C)C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)c(CS)c2)n1
QED,Please modify the molecule Cc1ccc(S(=O)(=O)N2CCCC=C(F)C2)cc1 to increase its QED value.,Cc1ccc(S(=O)(=O)N2CCCC=C(O)C2)cc1
AtomNum,"The molecule consists of 20 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",Cc1oc(-c2cc(F)cc(F)c2)nc1C[NH+]1CCN(C(=O)c2ccco2)CC1
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",COc1cc(C)ccc1OCCC(C)CCS(=O)(=O)Cl
FunctionalGroup,The molecule is composed of and 1 ester group.,CC(C)(C)OC(=O)CC=C1CCC2(CC1)OCCO2
AddComponent,Modify the molecule CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 by adding a benzene ring.,CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)C(c3ccccc3)C2)cc1
SubComponent,Please substitute a hydroxyl in the molecule C[NH+](CCO)CCNC(=O)OC(C)(C)C with a nitro.,C[NH+](CCNO)CCNC(=O)OC(C)(C)C
DelComponent,Remove a halo from the molecule Cc1nc(Br)c2n1CC(c1ccc(Cl)cc1)CC2.,Cc1ncc2n1CC(c1ccc(Cl)cc1)CC2
LogP,Modify the molecule C[N+]1(Cc2ccccc2F)CCCC1 to increase its LogP value.,CC(=O)c1ccccc1C[N+]1(C)CCCC1
MR,Please modify the molecule CCC(O)CCNC(=O)c1n[nH]c(C2CC2)c1N to decrease its MR value.,CCCCCNC(=O)c1n[nH]c(C2CC2)c1N
QED,Modify the molecule CCCC[Sn](CCCC)(CCCC)c1ccc(C)cc1F to have a higher QED value.,CCCC[Sn](CCCC)(CCCC)c1ccc(C)cc1O
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CN1C(=O)CCN1c1ccc(-c2cnoc2N)cc1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 3 rotatable bonds, and 30 aromatic bonds.",C1=CC2(Cc3ccccc31)N(c1ccccc1)c1ccccc1C2(c1ccccc1)c1ccccc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 halo group.",CC(C)(C)OC(=O)OC(C)(C)C(N(C(=O)[O-])c1cc(Oc2ccccc2)nc2c(Br)cnn12)C(C)(C)C
AddComponent,Add a hydroxyl to the molecule CCN1C(=O)C(C)[NH2+]C1c1ccccc1F.,CC1[NH2+]C(c2ccccc2F)N(C(C)O)C1=O
SubComponent,Please substitute a halo in the molecule Clc1ccc(C2CC(c3ccccc3)C2)cc1 with a thiol.,Sc1ccc(C2CC(c3ccccc3)C2)cc1
DelComponent,Modify the molecule amine by removing a CCOC(=O)Cn1nc(NC2CC2)c(C#N)c1N.,CCOC(=O)Cn1nc(C2CC2)c(C#N)c1N
LogP,Please modify the molecule O=C(NC1CCC(CC[NH+]2CCN(c3ccc(F)c(F)c3F)CC2)CC1)C1=CCCC1 to increase its LogP value.,Fc1ccc(N2CC[NH+](CCC3CCC4(CCCC4)CC3)CC2)c(F)c1F
MR,Optimize the molecule CC(Cl)C(=O)c1cc(F)cc(OC(F)F)c1 to have a lower MR value.,CC(Cl)C(=O)c1cc(F)cc(OCF)c1
QED,Please optimize the molecule C[NH2+]CC(=O)N1N=C(c2ccccc2F)CC1c1ccc2c(c1)OCO2 to have a lower QED value.,CC(=O)c1ccccc1C1=NN(C(=O)C[NH2+]C)C(c2ccc3c(c2)OCO3)C1
AtomNum,"The molecule has 18 carbon atoms, 4 oxygen atoms, 6 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
BondNum,"There is a molecule composed of 10 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",CN(C)C(=O)C1CCc2cc(Br)ccc2O1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 halo group, 1 thioether group, 2 nitrile groups, and 1 sulfide group.",CNC(=O)c1cc(CSc2nc(Cl)c(C#N)c(-c3ccccc3)c2C#N)ccn1
AddComponent,Add a hydroxyl to the molecule CN(C)c1nccnc1OC1CCCN(S(=O)(=O)Cc2cc(F)cc(F)c2)C1.,CN(C)c1nccnc1OC1CCCN(S(=O)(=O)Cc2cc(F)cc(F)c2O)C1
SubComponent,Substitute a halo in the molecule CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)C(=O)CC1c1cccc(C)c1 with a carboxyl.,CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)N3CCN(c4cccc(C(=O)[OH])c4)CC3)c2)C(=O)CC1c1cccc(C)c1
DelComponent,Remove a amide from the molecule [NH3+]C(Cc1cc(Cl)cc2c1NC(=O)C2)C(=O)[O-].,[NH3+]C(Cc1cccc(Cl)c1)C(=O)[O-]
LogP,Please optimize the molecule CCCCCNC(=O)OCC1(COC(=O)Nc2ccccc2)CCSc2ccccc2C1=O to have a lower LogP value.,CCCCCNC(=O)OCC1(COC(N)=O)CCSc2ccccc2C1=O
MR,Modify the molecule CNC(=O)c1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)o1 to decrease its MR value.,CNC(=O)c1ccc(Nc2nc3ccccc3n2-c2ncnc(C)n2)o1
QED,Please optimize the molecule C#CCNC(=O)C(F)(F)C(F)(F)F to have a higher QED value.,C#CCNC(=O)C(F)(C#N)C(F)(F)F
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)C2c2cccs2)cc1
BondNum,"Please generate a molecule with 6 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",CCn1cc(C(=O)[O-])c(-c2ncoc2C)n1
FunctionalGroup,"Please generate a molecule consisting 1 ester group, and 1 sulfide group.",COC(=O)Cc1ccc(C[NH2+]CCN2CCCCCC2)s1
AddComponent,Modify the molecule CC(Cc1ccsc1)NC(=O)NCC(Cc1cc[nH]c(=O)c1)[NH+](C)C by adding a benzene ring.,CC(Cc1ccsc1)NC(=O)NCC(Cc1cc[nH]c(=O)c1)[NH+](C)Cc1ccccc1
SubComponent,Substitute a halo in the molecule COc1ccc(-c2nn3c(N)cc(N)nc3c2Br)cc1 with a nitro.,COc1ccc(-c2nn3c(N)cc(N)nc3c2NO)cc1
DelComponent,Modify the molecule Clc1nccc(N2CCC([NH+]3CCCCC3)C2)n1 by removing a halo.,c1cc(N2CCC([NH+]3CCCCC3)C2)ncn1
LogP,Please modify the molecule CC(C)C[NH2+]Cc1nc2ccc(Cl)cc2n1C to decrease its LogP value.,CC(C)C[NH2+]Cc1nc2ccccc2n1C
MR,Optimize the molecule COC(=O)c1cc(-c2ccc(C=C(C#N)C(=O)Nc3ccccc3)o2)ccc1Cl to have a lower MR value.,COC(=O)c1cc(-c2ccc(C=C(NO)C(=O)Nc3ccccc3)o2)ccc1Cl
QED,Please modify the molecule CC1=CC(C)CC(CNc2cnn(CC3CCCO3)c2)C1 to decrease its QED value.,CC1=CC(CCC=O)CC(CNc2cnn(CC3CCCO3)c2)C1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",O=C(CNC(=O)c1ccco1)Nc1ccc(C(=O)[O-])nc1
BondNum,"Please generate a molecule composed of 88 single bonds, 10 double bonds, 71 rotatable bonds, and 36 aromatic bonds.",O=C(CCOCC(COCCC(=O)NCCOCCOCCOCCON1C(=O)c2ccccc2C1=O)(COCCC(=O)NCCOCCOCCON1C(=O)c2ccccc2C1=O)NC(=O)CCOCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)NCCOCCOCCOCCON1C(=O)c2ccccc2C1=O
FunctionalGroup,"There is a molecule with 4 hydroxyl groups, and 2 amide groups.",CC(NC(=O)OC(C)(C)C)C(=O)NC1CC=C(C[NH3+])OC1OC1C(NC(=O)OC(C)(C)C)CC(NC(=O)C(O)CCNC(=O)OC(C)(C)C)C(OC2OCC(C)(O)C(N(C)C(=O)OC(C)(C)C)C2O)C1O
AddComponent,Please add a carboxyl to the molecule O=C1OC(=O)N(c2ccccc2)C2CCCCC12.,O=C(O)C1CCC2C(C1)C(=O)OC(=O)N2c1ccccc1
SubComponent,Please substitute a halo in the molecule CC1=C(C(=O)OCC(C)C)C(c2ccccc2C(F)(F)F)CC(=O)N1 with a aldehyde.,CC(=O)C(F)(F)c1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C
DelComponent,Remove a Cc1ccc(-c2nnc(C(C)Sc3nc4ccccc4nc3C)o2)cc1 from the molecule benzene ring.,Cc1nnc(C(C)Sc2nc3ccccc3nc2C)o1
LogP,Please modify the molecule CC(C)CC(CBr)NC(=O)C1(C)CCCC1 to decrease its LogP value.,CC(C)CC(CBr)NC(=O)C1(C)CCCC1CC=O
MR,Please modify the molecule CC(C)c1ccc(Oc2cnn(-c3cccc(Cl)c3)c(=O)c2Nc2cccc(C(=O)N3CCCC3)c2)cc1 to decrease its MR value.,CC(C)c1ccc(Oc2cnn(-c3cccc(Cl)c3)c(=O)c2-c2cccc(C(=O)N3CCCC3)c2)cc1
QED,Modify the molecule CC(Nc1cccc(Cl)c1F)c1cc(Br)cs1 to decrease its QED value.,O=CCCC(Nc1cccc(Cl)c1F)c1cc(Br)cs1
AtomNum,"The molecule contains 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",COCCC(=O)Nc1ccc(N2CCCC2)cc1
BondNum,"There is a molecule composed of 21 single bonds, 5 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CS(=O)(=O)OCC1CN(c2ccc(N3CCN(C(=O)C=Cc4ccncc4)CC3)c(F)c2)C(=O)O1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",[NH3+]C(CF)Cc1ccc(O)cc1
AddComponent,Add a hydroxyl to the molecule Clc1cnc(N2CCOC3CCCC32)cc1C[NH2+]C1CC1.,OC1CC1[NH2+]Cc1cc(N2CCOC3CCCC32)ncc1Cl
SubComponent,Please substitute a Cc1cc2c(O)cccc2n1-c1nc(NCc2cccc(OCc3ccccc3)c2)c2c(n1)OCCC2 in the molecule hydroxyl with a halo.,Cc1cc2c(I)cccc2n1-c1nc(NCc2cccc(OCc3ccccc3)c2)c2c(n1)OCCC2
DelComponent,Remove a amine from the molecule O=c1c(Nn2cccc2)nccn1C1CC1.,O=c1c(-n2cccc2)nccn1C1CC1
LogP,Please modify the molecule COC(=O)Nc1ccc(-c2ccnc(CNC(=O)C=Cc3cc(Cl)ccc3N3C=N[NH2+][NH2+]3)c2)cc1 to decrease its LogP value.,COC(=O)Nc1ccc(-c2ccnc(CNC(=O)C=Cc3cc(C#N)ccc3N3C=N[NH2+][NH2+]3)c2)cc1
MR,Modify the molecule Cc1ccc(CN2CCS(=O)(=O)CC2)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C to have a higher MR value.,Cc1ccc(CN2CCS(=O)(=O)CC2)cc1-c1ccc2c(n1)n(CN)c(=O)n2CC(C)(C)C
QED,Optimize the molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N1C(CCCCCCCCCCCCC)CC(O)C1COC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1 to have a lower QED value.,CC(=O)C1CC(CCCCCCCCCCCCC)N(C(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C1COC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
AtomNum,"The molecule contains 28 carbon atoms, 7 oxygen atoms, and 1 chlorine atom.",CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3C(Cl)C=C4CC(=O)C=CC4(C)C3C(O)CC21C
BondNum,"Please generate a molecule consisting 7 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CCCC(=O)c1ccc(-c2cc(F)cc(F)c2)s1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfone group.",Cc1ccc(F)c(S(=O)(=O)N2CCC(N3CCCC3=O)CC2)c1
AddComponent,Add a benzene ring to the molecule COCCC([NH3+])C1OC(n2cc(C)c(=O)[nH]c2=O)C(OC)C1O.,COCC(c1ccccc1)C([NH3+])C1OC(n2cc(C)c(=O)[nH]c2=O)C(OC)C1O
SubComponent,Substitute a halo in the molecule Cc1cc(C)c(CNC(=O)c2cc(Cl)cc(N(C)C3CC[NH2+]CC3)c2C)c(=O)[nH]1 with a nitrile.,Cc1cc(C)c(CNC(=O)c2cc(C#N)cc(N(C)C3CC[NH2+]CC3)c2C)c(=O)[nH]1
DelComponent,Modify the molecule O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC1(c2cccc(F)c2)CCOCC1 by removing a halo.,O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC1(c2ccccc2)CCOCC1
LogP,Optimize the molecule CCc1[nH]ncc1C=NC(C)c1ccccc1O[Si](C)(C)C to have a lower LogP value.,CCc1[nH]ncc1C=NC(C)O[Si](C)(C)C
MR,Modify the molecule Cn1ncc(C(=O)NC2CCC3CC4CC(C3)C2C4)c1N1CCCCC1 to decrease its MR value.,Cn1nc-c1(C1CCC2CC3CC(C2)C1C3)N1CCCCC1
QED,Modify the molecule CNc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)cc2)cc1 to increase its QED value.,CNc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(C(F)F)cc5[nH]4)cc3)cc2)cc1
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 1 oxygen atom, 7 nitrogen atoms, and 1 sulfur atom.",CCN(CC)C(=O)N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1
BondNum,"The molecule has 22 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",C[NH+]=C(NCc1ccccc1OC(C)(C)C)NCC1CCN(CC(F)(F)F)C1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, and 3 halo groups.",OC(CC1CCC1)c1ccc(Br)c(Cl)c1F
AddComponent,Add a benzene ring to the molecule CCC1(C)CCN(C(=O)C2(C#N)CCCC2)CC1.,CCC1(C)CCN(C(=O)C2(C#N)CCCC2)CC1c1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1cc2c(c(-c3ccc(Cl)cc3Cl)c1)OC(CC[NH3+])C2 with a hydroxyl.,Cc1cc2c(c(-c3ccc(O)cc3Cl)c1)OC(CC[NH3+])C2
DelComponent,Please remove a hydroxyl from the molecule CC(CO)(CO)Nc1ccc(C[NH3+])c(Br)c1F.,CC(C)(CO)Nc1ccc(C[NH3+])c(Br)c1F
LogP,Modify the molecule Cc1c(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)CC2)cccc1C(=O)NC1CCCCC1 to decrease its LogP value.,CC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3cccc(C(=O)NC4CCCCC4)c3C)CC2)cc1C(=O)NC1CCCCC1
MR,Please optimize the molecule CCC(C)(CCl)[NH2+]Cc1ccc(Br)cc1F to have a higher MR value.,CCC(C)(CCl)[NH2+]Cc1ccc(Br)cc1
QED,Modify the molecule Cc1cc(C)nc(NC(=O)c2ccc(C[NH3+])cc2)c1 to decrease its QED value.,Cc1cc(C)nc(NC(=O)C[NH3+])c1
AtomNum,"There is a molecule with 16 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",COCc1nc(-c2cccc(C)n2)sc1C[NH2+]C(C)(C)C
BondNum,"The molecule is composed of 12 single bonds, 3 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2cccc(-c3ncc[nH]3)c2)cc1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 amide group, and 1 sulfone group.",Cc1ccc(C(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c2ccccc2)cc1
AddComponent,Please add a benzene ring to the molecule CC1CCC[NH+]1CC1CC[NH+](C(NCCN2CCCCC2)=C(C#N)C#N)CC1.,CC1(c2ccccc2)CCC[NH+]1CC1CC[NH+](C(NCCN2CCCCC2)=C(C#N)C#N)CC1
SubComponent,Please substitute a hydroxyl in the molecule CC1(O)CC2CCC(C1)C21OCCO1 with a carboxyl.,CC1(C(=O)[OH])CC2CCC(C1)C21OCCO1
DelComponent,Modify the molecule O=C([O-])NC(Cc1ccc(Cl)cc1)C(=O)Nc1cc(-c2ccncc2)no1 by removing a benzene ring.,O=C([O-])NC(CCl)C(=O)Nc1cc(-c2ccncc2)no1
LogP,Modify the molecule COC(=O)NC(C(=O)N1C(c2nc3ccc(-c4cc5c(F)cc4CCc4cc(-c6ccc7nc(C8CC9CCCCC9N8C(=O)C(NC(=O)OC)C(C)C)[nH]c7c6)c(cc4F)CC5)cc3[nH]2)CC2CCCCC21)C(C)C to decrease its LogP value.,COC(=O)NC(C(=O)N1C(c2nc3ccc(-c4cc5c(F)cc4CCc4cc(-c6ccc7nc(C8CC9CCCCC9N8C(=O)C(NC(=O)OC)C(C)C)[nH]c7c6)c(cc4O)CC5)cc3[nH]2)CC2CCCCC21)C(C)C
MR,Please modify the molecule COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)C2CCC(c3ccc4ccncc4c3)C2(C)CC1 to decrease its MR value.,COC(=O)C1=C(OS(=O)(=O)C(F)F)C2CCC(c3ccc4ccncc4c3)C2(C)CC1
QED,Optimize the molecule CSc1ccc(Cl)cc1C(=O)Cc1ccccc1 to have a higher QED value.,CSc1cc(O)c(Cl)cc1C(=O)Cc1ccccc1
AtomNum,"The molecule is composed of 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(C[NH+](C)Cc1ccc2c(c1)ncn2C)C(=O)[O-]
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",Cc1cc(NC(=O)COCC[NH3+])ccc1F
FunctionalGroup,"Please generate a molecule with 4 benzene ring groups, 1 amide group, 1 amine group, 2 halo groups, and 1 sulfide group.",Cc1ccc(Nc2nc(-c3ccc(C(=O)NN=Cc4ccc(OCc5ccccc5Cl)c(Br)c4)cc3)cs2)cc1
AddComponent,Modify the molecule CCC(C)(OCc1ccccc1)Oc1nc(Cl)ncc1C(F)(F)F by adding a benzene ring.,CCC(C)(Oc1nc(Cl)ncc1C(F)(F)F)OC(c1ccccc1)c1ccccc1
SubComponent,Substitute a halo in the molecule C[NH+]1C=C2C(=C(C3=CC[NH+](C4CCC(C(=O)[O-])CC4)CC3)C1)NN=C1C=C(F)c3cc(F)cc2c31 with a hydroxyl.,C[NH+]1C=C2C(=C(C3=CC[NH+](C4CCC(C(=O)[O-])CC4)CC3)C1)NN=C1C=C(O)c3cc(F)cc2c31
DelComponent,Remove a amide from the molecule O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(SC(F)F)cc1.,O=C(Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(SC(F)F)cc1
LogP,Please modify the molecule C=CC(C)=C(C)C=CC(=CCC)C(C)=CC1=C(C)N(C(=C)C=CC(C)(C)C)CC1 to increase its LogP value.,C=CC(C)=C(C)C(=CC(=CCC)C(C)=CC1=C(C)N(C(=C)C=CC(C)(C)C)CC1)c1ccccc1
MR,Modify the molecule Cc1c(Cl)ccc2c1C(C)CC(CF)(N=O)C2Nc1cccc2c(=O)[nH]ccc12 to decrease its MR value.,Cc1c(Cl)ccc2c1C(C)CC(CF)(N=O)C2c1cccc2c(=O)[nH]ccc12
QED,Please optimize the molecule CCCCOc1c(OC)ccc2cc(C#N)ccc12 to have a lower QED value.,CCCCOc1c(OC)ccc2ccccc12
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COCCCNC(=O)CSCc1ccc(C#N)cc1
BondNum,"The molecule is composed of 10 single bonds, 1 double bond, and 2 rotatable bonds.",CCOC(=O)C1CCCC1I
FunctionalGroup,There is a molecule composed of and 2 halo groups.,Cc1ccc(F)c2c(Cl)nc(C3CCC3)nc12
AddComponent,Modify the molecule CC1(C)[NH+]=C(N)[NH+]=C(N)N1c1ccc(OCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 by adding a amine.,CC1(C)[NH+]=C(N)[NH+]=C(N)N1c1ccc(OCCC(N)COc2ccc(S(=O)(=O)F)cc2)c(Cl)c1
SubComponent,Substitute a Fc1ccccc1OC(Cl)(Cl)Cl in the molecule halo with a aldehyde.,CC(=O)c1ccccc1OC(Cl)(Cl)Cl
DelComponent,Please remove a halo from the molecule CCC(C)[NH2+]CCc1nc(-c2ccc(F)cc2)cs1.,CCC(C)[NH2+]CCc1nc(-c2ccccc2)cs1
LogP,Please modify the molecule C[NH2+]CC1CCCN(S(=O)(=O)NCCCSC)C1 to increase its LogP value.,C[NH2+]CC1CCCN(S(=O)(=O)CCCSC)C1
MR,Modify the molecule C=CC[NH+]1CCC23c4c5ccc(O)c4OC2C([NH+](CC)CCCCCCc2ccccc2)CCC3(O)C1C5 to decrease its MR value.,C=CC[NH+]1CCC23c4c5ccc(O)c4OC2C([NH+](CC)CCCCCC)CCC3(O)C1C5
QED,Modify the molecule Oc1cnn(CC2C[NH2+]C2)c1 to have a higher QED value.,CC(=O)c1cnn(CC2C[NH2+]C2)c1
AtomNum,"The molecule has 18 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CSCc1nc2ccccc2n1CC(=O)OC(C)C(=O)NC(=O)NC(C)C
BondNum,"The molecule consists of 29 single bonds, 9 rotatable bonds, and 10 aromatic bonds.",C[As](C)CCCC1CCN(Nc2nc(NC3CCC([NH3+])CC3)nc3c2ncn3C2CCCC2)CC1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 aldehyde group, 1 amide group, and 1 halo group.",O=Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1
AddComponent,Add a benzene ring to the molecule c1cc(OC2CC2)cc(-c2ccc(C[NH2+]C3CC3)cc2)c1.,c1ccc(C2(Oc3cccc(-c4ccc(C[NH2+]C5CC5)cc4)c3)CC2)cc1
SubComponent,Modify the molecule Cc1nn(C)c(Oc2cccnc2)c1C[NH+]1CCC(C(C)O)C1 by substituting a hydroxyl with a aldehyde.,CC(=O)C(C)C1CC[NH+](Cc2c(C)nn(C)c2Oc2cccnc2)C1
DelComponent,Modify the molecule Cc1nn(C)c(C)c1Oc1cc(Br)ccc1C=CC(=O)[O-] by removing a halo.,Cc1nn(C)c(C)c1Oc1ccccc1C=CC(=O)[O-]
LogP,Modify the molecule COc1ccc(-n2c(SC(C)C(=O)N(C)Cc3cccc(F)c3)nnc2-c2ccncc2)cc1 to have a lower LogP value.,COc1ccc(-n2c(SC(C)C(=O)N(C)Cc3cccc(NO)c3)nnc2-c2ccncc2)cc1
MR,Modify the molecule CCOC(=O)c1nc(C(=O)Nc2ccc(F)c(C)c2)cs1 to decrease its MR value.,CCOC(=O)c1nc(C(=O)N(C)F)cs1
QED,Modify the molecule Cn1cncc1C(O)C1C=CC[NH2+]1 to have a higher QED value.,Cn1cncc1CC1C=CC[NH2+]1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, 2 sulfur atoms, and 3 fluorine atoms.",CCSc1nnc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)s1
BondNum,"There is a molecule consisting of 16 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC(c1ccccc1)N(C)C(=O)CN1C(=O)NC(C)(c2cc(F)ccc2F)C1=O
FunctionalGroup,There is a molecule consisting of and 1 ester group.,COC(=O)C(C)(CCN1CCC([NH+](C)C)C1)[NH2+]C(C)C
AddComponent,Please add a benzene ring to the molecule CC(C)OC(O)C(C)NP(=O)(OCC1OC(N2C=CC(O)NC2=O)C(C)(F)C1O)Oc1ccccc1.,CC(Cc1ccccc1)OC(O)C(C)NP(=O)(OCC1OC(N2C=CC(O)NC2=O)C(C)(F)C1O)Oc1ccccc1
SubComponent,Please substitute a CCOC(=O)c1cnc(N(C)Cc2cc3nc(-c4ccc(C#N)cc4)nc(N4CCOCC4)c3s2)nc1 in the molecule nitrile with a halo.,CCOC(=O)c1cnc(N(C)Cc2cc3nc(-c4ccc(Cl)cc4)nc(N4CCOCC4)c3s2)nc1
DelComponent,Please remove a hydroxyl from the molecule Cc1ccc(C(C[NH3+])(CO)CCOC(C)(C)C)cc1.,Cc1ccc(C(C)(C[NH3+])CCOC(C)(C)C)cc1
LogP,Optimize the molecule O=C(NC(c1nccs1)C1CC1)c1ncccc1O to have a higher LogP value.,N#Cc1cccnc1C(=O)NC(c1nccs1)C1CC1
MR,Modify the molecule Cc1cc(C)cc(C[NH+]2CCC3(CC2)CC3C(=O)NCc2cccc(C(F)(F)F)c2)c1 to increase its MR value.,Cc1cc(CN)cc(C[NH+]2CCC3(CC2)CC3C(=O)NCc2cccc(C(F)(F)F)c2)c1
QED,Please modify the molecule Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NCC(C)C)CC1 to decrease its QED value.,Cc1ccc(C(=O)Nc2cc(S)ccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NCC(C)C)CC1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 bromine atom.",CC(C)(CCCBr)CNC(=O)C1CC1(C)C
BondNum,"The molecule consists of 11 single bonds, and 7 rotatable bonds.",CC(C)N(OCCO)OCCO
FunctionalGroup,Please generate a molecule with and 1 hydroxyl group.,Cn1c(N2CCCCC2c2nc(CO)co2)nc2cnccc2c1=O
AddComponent,Modify the molecule CC1[NH2+]CCC1C(=O)Nc1cc(C(N)=O)ccc1Cl by adding a carboxyl.,CC1[NH2+]CCC1C(=O)Nc1cc(C(N)=O)cc(C(=O)O)c1Cl
SubComponent,Please substitute a halo in the molecule C[NH2+]C(Cc1ccc(Br)s1)c1cccc(C)c1Cl with a hydroxyl.,C[NH2+]C(Cc1ccc(O)s1)c1cccc(C)c1Cl
DelComponent,Modify the molecule Cc1cc(C)c(CCl)c(N2CCCC2C2CCCC2)n1 by removing a halo.,Cc1cc(C)c(C)c(N2CCCC2C2CCCC2)n1
LogP,Optimize the molecule O=C(c1snnc1-c1cccs1)N1CCN(c2ccc(F)cc2)CC1 to have a lower LogP value.,O=C(c1snnc1-c1cccs1)N1CCN(c2ccccc2)CC1
MR,Optimize the molecule CCC1CN(CCF)c2cc(N)ccc2N1CC to have a higher MR value.,CCC1CN(CCC(=O)[OH])c2cc(N)ccc2N1CC
QED,Modify the molecule CCS(=O)(=O)CCCC(C(C)C)C(C)Cl to increase its QED value.,CCS(=O)(=O)CCCC(C(C)C)C(C)O
AtomNum,"There is a molecule composed of 10 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",CCOc1cc2c(Br)cc([N+](=O)[O-])cc2s1
BondNum,"There is a molecule composed of 13 single bonds, 5 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",C=CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, 2 amide groups, 1 amine group, 2 thioether groups, and 2 sulfide groups.",CON=C(C(=O)NC1C(=O)N2C(C(=O)OCC(C)=Cc3ccc(C)cc3)=CCSC12)c1csc(N)n1
AddComponent,Add a benzene ring to the molecule CCCCCCC=CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C.,CCCCCCC=CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCC(CCCC(C)C)c1ccccc1)OC(=O)CCCCCCCCCCCCCCCCCC(C)C
SubComponent,Modify the molecule C[NH+]1CSCC1C(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C(=O)C3CSC[NH+]3C)CC2)cc1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(C2([NH2+]CCCCC#N)CCOCC2)cc1.,COC1([NH2+]CCCCC#N)CCOCC1
LogP,Modify the molecule CCc1ccc(-c2ncc(Br)c(=O)[nH]2)cc1 to decrease its LogP value.,CCc1ccc(-c2nccc(=O)[nH]2)cc1
MR,Modify the molecule CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(SCc2ccc(Br)cc2)N1 to increase its MR value.,CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C(=O)[OH])=C(SCc2ccc(Br)cc2)N1
QED,Modify the molecule COc1ccc2c(N3CC(O)(C4CC4)C3)nccc2c1 to decrease its QED value.,COc1ccc2c(N3CC(C4CC4)C3)nccc2c1
AtomNum,"The molecule has 14 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1nc(Cn2ccc3c(C[NH3+])cccc32)cs1
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",Cc1cc(C(O)C(=O)c2cc(Cl)sc2C)c(C)s1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 hydroxyl groups, 1 amide group, and 1 halo group.",CCC(CCCl)CNC(=O)c1cc(O)ccc1O
AddComponent,Modify the molecule CCOC(=O)C(C(=O)OCC)C(CC(=O)c1ccc(N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1 by adding a aldehyde.,CCOC(=O)C(C(=O)OCC)C(CC(=O)c1ccc(N(C)CCC=O)cc1)Cc1ccc([N+](=O)[O-])cc1
SubComponent,Substitute a C=CCC(C)c1ccc2nc(C#Cc3nnc(-c4cc(OCCCOC(=O)C(=C)C(F)(F)F)cc(OCCOC(=O)C=C)c4-c4ccc5cc(C(=O)Oc6ccc(CCC(=O)Oc7ccc(C)cc7)c(F)c6)ccc5c4)s3)sc2c1 in the molecule halo with a nitrile.,C=CCC(C)c1ccc2nc(C#Cc3nnc(-c4cc(OCCCOC(=O)C(=C)C(F)(F)C#N)cc(OCCOC(=O)C=C)c4-c4ccc5cc(C(=O)Oc6ccc(CCC(=O)Oc7ccc(C)cc7)c(F)c6)ccc5c4)s3)sc2c1
DelComponent,Please remove a COC(=O)C(C(=O)OC)c1cc(Cl)ccn1 from the molecule halo.,COC(=O)C(C(=O)OC)c1ccccn1
LogP,Please optimize the molecule CCCCCCCC(NN)c1cccc2ncccc12 to have a lower LogP value.,NNC(CCCCCCCC(=O)O)c1cccc2ncccc12
MR,Please optimize the molecule CC(C)CC(O)C1=CCCCC1 to have a higher MR value.,CC(C)CC(O)C1=C(O)CCCC1
QED,Modify the molecule CC(O)C(NC(=O)C(CO)NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(CC(N)=O)C(=O)[O-] to have a higher QED value.,CC(C#N)C(NC(=O)C(CO)NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(CC(N)=O)C(=O)[O-]
AtomNum,"The molecule has 13 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COC(=O)C([NH3+])CCSCc1cccc([N+](=O)[O-])c1C
BondNum,"There is a molecule consisting of 10 single bonds, 3 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2c(c1)OCO2
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, and 1 sulfide group.",COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccs2)cc1
AddComponent,Add a benzene ring to the molecule CCCc1nc(C(Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)no1.,CCCc1nc(C(Nc2ccc([N+](=O)[O-])cc2Cl)c2cccc(-c3ccccc3)c2)no1
SubComponent,Modify the molecule halo by substituting a Nc1c(C(=O)NCc2cccs2)nnn1-c1ccccc1F with a nitrile.,N#Cc1ccccc1-n1nnc(C(=O)NCc2cccs2)c1N
DelComponent,Please remove a benzene ring from the molecule O=C(c1cc(-c2cccc(Cl)c2)n[nH]1)N1CCc2ccccc21.,O=C(c1cc(Cl)n[nH]1)N1CCc2ccccc21
LogP,Optimize the molecule CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)C2c2ccc(O)c(Cl)c2)cc1 to have a lower LogP value.,CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)C2c2ccc(O)c(NO)c2)cc1
MR,Please modify the molecule CCC(C)([NH3+])COCc1ccnc(C#N)c1 to increase its MR value.,CCC(C)([NH3+])COCc1ccnc(NO)c1
QED,Optimize the molecule CCN1CC[NH+](CCCCNC(NCc2cc(Cl)ccc2OC(F)F)=[NH+]C)CC1 to have a lower QED value.,CCN1CC[NH+](CCCCNC(NCc2cc(Cl)ccc2OC(F)F)=[NH+]C)CC1N
AtomNum,"There is a molecule with 38 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",Cc1c(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)NC4CCCC4)c3C)CC2)cccc1C(=O)Nc1ccccc1
BondNum,"There is a molecule composed of 14 single bonds, 4 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",O=C(Nc1ccc(=O)n2c1C1CC(CN(S(=O)(=O)c3ccccc3)C1)C2)c1cccnc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, and 1 halo group.",CCn1nccc1CNc1cc(C)ccc1Br
AddComponent,Add a benzene ring to the molecule CCC1OC(=O)C(C)C2OC3(CCN(C(=O)c4cccnc4Cl)CC3)OC(C)(CC(C)C[NH2+]C(C)C(O)C1(C)O)C(OC1OC(C)CC([NH+](C)C)C1O)C2C.,CCC1OC(=O)C(C)C2OC3(CCN(C(=O)c4cccnc4Cl)CC3)OC(C)(CC(C)C[NH2+]C(C)C(O)C1(C)O)C(OC1OC(C)(c3ccccc3)CC([NH+](C)C)C1O)C2C
SubComponent,Substitute a halo in the molecule COc1cc(C=C2SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1O with a carboxyl.,COc1cc(C=C2SC(=O)N(CC(=O)Nc3ccccc3C(=O)[OH])C2=O)ccc1O
DelComponent,Remove a C1=CCc2c(n(-c3cc(-c4ccc(-c5c6ccccc6nc6c5ccc5ccc(-c7ccccc7)nc56)cc4)cc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6cc(C7=CC=C(c8c9ccccc9nc9c8ccc8cccnc89)Cc8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)ccc54)c3)c3ccccc23)C=C1 from the molecule benzene ring.,C1=CCc2c(n(-c3cc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)cc4)cc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6cc(C7=CC=C(c8c9ccccc9nc9c8ccc8cccnc89)Cc8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)ccc54)c3)c3ccccc23)C=C1
LogP,Modify the molecule CCNC(NC1CCCN(c2cc(C)ccc2F)C1)=[NH+]CCNS(C)(=O)=O to decrease its LogP value.,CCNC(NC1CCCN(CF)C1)=[NH+]CCNS(C)(=O)=O
MR,Optimize the molecule CCCC[NH+]1CCC(CCCO)CC1 to have a higher MR value.,CCCC[NH+]1CCC(CCCO)CC1N
QED,Please modify the molecule CCN(CC)C(=O)C12C3CC4C(C31)C42C to increase its QED value.,CCN(C(=O)C12C3CC4C(C31)C42C)C(C)C(=O)O
AtomNum,"The molecule is composed of 26 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CC(=O)Nc1sc2c(c1C(c1ccccn1)[NH+]1CCN(c3ccccc3F)CC1)CCCC2
BondNum,"There is a molecule composed of 9 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 12 aromatic bonds.",Cc1cc(N=Nc2ccccc2C#N)cc(C)c1OCCO
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, 3 amine groups, and 1 halo group.",Cc1ccc(NCC(N)=[NH+]O)cc1I
AddComponent,Modify the molecule CC(C)CCNC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1 by adding a hydroxyl.,CC(C)CCNC(=O)COC(=O)c1ccc2noc(-c3ccc(O)cc3)c2c1
SubComponent,Substitute a halo in the molecule CCCCCC1CCC(C2CCC(c3cnc(Cl)c(Cl)c3)CC2)CC1 with a aldehyde.,CC(=O)c1ncc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc1Cl
DelComponent,Modify the molecule halo by removing a N#Cc1ccccc1COc1ccc(C=C2SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1.,N#Cc1ccccc1COc1ccc(C=C2SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1
LogP,Modify the molecule Cn1cc(C2OCCCC2[NH2+]Cc2cccc(Cl)c2F)cn1 to decrease its LogP value.,Cn1cc(C2OCCCC2[NH2+]Cc2cccc(C#N)c2F)cn1
MR,Please modify the molecule O=C(Cc1ccccc1F)Nc1ccncc1Br to increase its MR value.,O=C(Cc1ccccc1)Nc1ccncc1Br
QED,Please optimize the molecule C=C=C(C)C1(O)C(=O)N(c2ccc(OC)cc2)C1c1ccc(C)cc1 to have a lower QED value.,C=C=C(C)C1C(=O)N(c2ccc(OC)cc2)C1c1ccc(C)cc1
AtomNum,"Please generate a molecule with 11 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 3 fluorine atoms.",COCc1nc(-c2ccncc2)nn1CC(F)(F)F
BondNum,"Please generate a molecule composed of 7 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",C=C(C)CNC(=O)Cc1ccccc1Cl
FunctionalGroup,"Please generate a molecule consisting 1 amide group, 3 halo groups, 1 thioether group, and 1 sulfide group.",CC(=O)NC(CSc1ccc(C(F)(F)F)cn1)C(=O)[O-]
AddComponent,Modify the molecule CC(C)CC(NC(=O)C(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C([NH3+])CCC(N)=O)C(C)C)C(=O)NC(C)C(=O)[O-] by adding a benzene ring.,CC(C)CC(NC(=O)C(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C([NH3+])CCC(N)=O)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)[O-]
SubComponent,Modify the molecule halo by substituting a COc1ccc(C(F)(F)F)cc1C(=O)Cc1ccccc1 with a nitrile.,COc1ccc(C(F)(F)C#N)cc1C(=O)Cc1ccccc1
DelComponent,Modify the molecule amine by removing a Cc1cc(NC(=O)Cc2csc(N)n2)ccc1F.,Cc1cc(NC(=O)Cc2cscn2)ccc1F
LogP,Modify the molecule CCOC(=O)c1ccc([S-])c(C#N)c1SC(F)(F)F to have a lower LogP value.,CC(=O)C(F)(F)Sc1c(C(=O)OCC)ccc([S-])c1C#N
MR,Please optimize the molecule COc1cc(F)cc2sc(NC(=O)c3oc4ccccc4c3CSc3nnc(C)s3)nc12 to have a higher MR value.,CC(=O)c1cc(OC)c2nc(NC(=O)c3oc4ccccc4c3CSc3nnc(C)s3)sc2c1
QED,Optimize the molecule COCC[NH2+]Cc1cccc(N2CC[NH2+]CC2)c1 to have a lower QED value.,COC(O)C[NH2+]Cc1cccc(N2CC[NH2+]CC2)c1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",Cc1cccc(C(=O)NN2CC(C(=O)[O-])CC2=O)c1
BondNum,"There is a molecule consisting of 12 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",C=C(C)CN1C(=O)C(C(C)C)Oc2cc(N)ccc21
FunctionalGroup,There is a molecule with and 1 amide group.,O=C(CC1CC2CCC1C2)NC(Cc1cnc[nH]1)C(=O)[O-]
AddComponent,Add a hydroxyl to the molecule NC(=O)c1ccc(F)c(C[NH2+]CC2CCC2)c1.,NC(=O)c1ccc(F)c(C[NH2+]CC2CCC2O)c1
SubComponent,Modify the molecule halo by substituting a Fc1ccccc1-c1nnc2ccc(NCc3cccc4cccnc34)nn12 with a nitro.,ONc1ccccc1-c1nnc2ccc(NCc3cccc4cccnc34)nn12
DelComponent,Modify the molecule benzene ring by removing a CCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1.,CCNC(=O)C(CC)N(CC)C(=O)Cc1cc(C)cc(C)c1
LogP,Please optimize the molecule OCc1cc(CF)c(O)c(OC(F)(F)F)n1 to have a lower LogP value.,O=C([OH])Cc1cc(CO)nc(OC(F)(F)F)c1O
MR,Modify the molecule CC(C)CC([NH3+])C(=O)NCC(=O)NC(CCC(=O)[O-])C(=O)N1CCCC1C(=O)[O-] to decrease its MR value.,CC(C)CC([NH3+])C(=O)NC(CCC(=O)[O-])C(=O)N1CCCC1C(=O)[O-]
QED,Modify the molecule CC(C)(C)OC(=O)n1c(-c2ccc(C3=COC(Cc4ccccc4)O3)c3c2C(=O)NC3)cc2cc(C[NH+]3CCCCC3)ccc21 to have a higher QED value.,CC1OC=C(c2ccc(-c3cc4cc(C[NH+]5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c3c2CNC3=O)O1
AtomNum,"There is a molecule with 30 carbon atoms, 1 oxygen atom, 7 nitrogen atoms, and 1 fluorine atom.",O=c1[nH]c2cc(NCCc3cccnc3)c(F)cc2c(NC2C[NH+]3CCC2CC3)c1-c1nc2ccccc2[nH]1
BondNum,"The molecule has 12 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",CC1CCCC(CCl)([NH2+]Cc2cncs2)C1
FunctionalGroup,"The molecule is composed of 1 thioether group, and 1 sulfide group.",CCC([NH3+])c1ccc(SCC2CCCO2)cn1
AddComponent,Please add a benzene ring to the molecule CCCCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCCC.,CCCCCCCCCCC(CCC(CCCCC)c1ccccc1)C(=O)OCCCCCCCC
SubComponent,Substitute a CCC(C(C=Nc1ccccc1F)=NN)n1cc(-c2cnc(C(F)F)nc2)c2c(N)ncnc21 in the molecule halo with a thiol.,CCC(C(C=Nc1ccccc1S)=NN)n1cc(-c2cnc(C(F)F)nc2)c2c(N)ncnc21
DelComponent,Remove a nitro from the molecule COc1cc(C(=O)Nc2ccc(C)cc2OCc2ccccc2)ccc1[N+](=O)[O-].,COc1(O[O-])cc(C(=O)Nc2ccc(C)cc2OCc2ccccc2)cc-1
LogP,Modify the molecule CCNc1cc([N+](=O)[O-])cc(N2CCCC2CO)n1 to have a higher LogP value.,CCNc1cc([N+](=O)[O-])cc(N2CCCC2C(O)c2ccccc2)n1
MR,Optimize the molecule CCOC(=O)N1CCN(C(=O)C=Cc2c(C)nn(C)c2Cl)CC1 to have a lower MR value.,CCOC(=O)N1CCC(Cc2c(C)nn(C)c2Cl)C1
QED,Optimize the molecule Cc1cscc1C(=O)c1cccc(C2CCC2)c1 to have a lower QED value.,Cc1cscc1C(=O)C1CCC1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 2 sulfur atoms.",Cc1nsc(SCc2ccc(C(C)C(=O)NN)cc2)n1
BondNum,"Please generate a molecule with 14 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CC(Cc1ccco1)[NH2+]CC1CC2CCC1C2
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, and 1 ester group.",CCCC=CC1OC(=O)c2c([O-])c(CC=C(C)C)cc(O)c2C1OC
AddComponent,Add a hydroxyl to the molecule CC(Cl)C(=O)c1ccc2c(c1)cc(-c1cc3ccccc3n1C)n2C.,CC(Cl)C(=O)c1ccc2c(c1)cc(-c1cc3cccc(O)c3n1C)n2C
SubComponent,Modify the molecule halo by substituting a COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 with a carboxyl.,COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)[OH])cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1
DelComponent,Remove a halo from the molecule C[NH2+]C(Cc1ccc(F)cc1)c1cc(F)ccc1F.,C[NH2+]C(Cc1ccc(F)cc1)c1cccc(F)c1
LogP,Please optimize the molecule CCS(=O)(=O)c1ccc2c(c1)N(C1CC[NH+](CCCn3nc(-c4ccc(Br)cc4)c4c3CCN(C(C)=O)C4)CC1)C(=O)CO2 to have a higher LogP value.,CCS(=O)(=O)c1ccc2c(c1)N(C1CC[NH+](CCCn3nc(-c4ccc(Br)cc4)c4c3CCC4)CC1)C(=O)CO2
MR,Please optimize the molecule COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(C2=C[NH+](CCSCc3ccccc3[N+](=O)[O-])CN2C)nn1 to have a higher MR value.,COCCOCCOCCOCCOCCOCCOCCOC(CC=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(C2=C[NH+](CCSCc3ccccc3[N+](=O)[O-])CN2C)nn1
QED,Modify the molecule CC(C)NC(=O)c1c(N)nsc1N1CC2CCC(O)C2C1 to have a higher QED value.,CC(C)NC(=O)c1c(N)nsc1N1CC2CCCC2C1
AtomNum,"The molecule is composed of 12 carbon atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CC1C[NH2+]C(c2nc3ccccc3s2)CS1
BondNum,"There is a molecule with 10 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(N)c(-c2nnc(N3CCOCC3)o2)c1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, and 1 halo group.",COc1cccc(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)c1
AddComponent,Modify the molecule CCNc1ccc(C(=O)NCCc2noc(C)n2)cc1C by adding a hydroxyl.,Cc1nc(CCNC(=O)c2ccc(NCCO)c(C)c2)no1
SubComponent,Modify the molecule hydroxyl by substituting a CNc1nc(N2CCCC2)nc(N(C)C(C)CO)n1 with a aldehyde.,CC(=O)CC(C)N(C)c1nc(NC)nc(N2CCCC2)n1
DelComponent,Remove a halo from the molecule CCN(CC(=O)Nc1nccs1)C(=O)Cc1ccc(F)cc1.,CCN(CC(=O)Nc1nccs1)C(=O)Cc1ccccc1
LogP,Please optimize the molecule CC1(C2CC2)CN(c2ccc(Br)cc2)CCC[NH2+]1 to have a lower LogP value.,CC1(C2CC2)CN(c2ccccc2)CCC[NH2+]1
MR,Modify the molecule OCc1nncn1-c1ccccc1Cc1ccccc1 to have a higher MR value.,OCc1nncn1-c1ccc(-c2ccccc2)cc1Cc1ccccc1
QED,Please modify the molecule COc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1Cl to decrease its QED value.,COc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)c(N)c2)cc1Cl
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",COC(=O)c1cccc(N(C)CC[NH+]2CCCC2)c1N
BondNum,"The molecule consists of 11 single bonds, 3 double bonds, 4 rotatable bonds, and 17 aromatic bonds.",Cc1cccc(C=C2CCN(S(=O)(=O)c3ccc(-c4csnn4)cc3)CC2)n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 3 amine groups.",CCNC(NC(C)CCCC(C)C)=[NH+]CCc1cccc(C(=O)N(C)C)c1
AddComponent,Modify the molecule CCOC(=O)C(C)OC(=O)OC(C#N)c1ccccc1 by adding a thiol.,CCOC(=O)C(C)OC(=O)OC(S)(C#N)c1ccccc1
SubComponent,Modify the molecule Cc1nccnc1C(Cc1cccc(Cl)c1)C(=O)[O-] by substituting a halo with a aldehyde.,CC(=O)c1cccc(CC(C(=O)[O-])c2nccnc2C)c1
DelComponent,Please remove a O=C(N1CC[NH+](C(O)C2=CN=CCS2)CC1)C(F)(F)F from the molecule hydroxyl.,O=C(N1CC[NH+](CC2=CN=CCS2)CC1)C(F)(F)F
LogP,Please modify the molecule C[NH2+]Cc1ccc(Sc2cnn(C)c2)c(C#N)c1 to decrease its LogP value.,C[NH2+]Cc1ccc(Sc2cnn(C)c2)c(C(=O)[OH])c1
MR,Modify the molecule COc1cccc(CNc2ccccc2)c1OCc1ccccc1F to increase its MR value.,COc1cccc(CNc2ccccc2)c1OCc1ccccc1O
QED,Please modify the molecule CCCCCCCCCCCCCCCCOC(O)C(C)OCc1ccccc1 to increase its QED value.,CCCCCCCCCCCCCCCCOC(O)C(C)OC
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",C=CCCNc1ncccc1C(=O)OC
BondNum,"Please generate a molecule composed of 10 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCCNc1nc(NCc2ccncc2C)c(F)cc1F
FunctionalGroup,Please generate a molecule composed of and 1 sulfide group.,CC(C)c1nc(C2CCCc3ccccc32)sc1C(=O)[O-]
AddComponent,Modify the molecule O=C1OCCC2(CC2)N1c1cccc(Br)c1 by adding a benzene ring.,O=C1OCC(c2ccccc2)C2(CC2)N1c1cccc(Br)c1
SubComponent,Please substitute a CC1CCC2(CC1)SC(C)C(=O)N2NC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl in the molecule halo with a aldehyde.,CC(=O)c1cccc(Cl)c1Nc1ccccc1CC(=O)NN1C(=O)C(C)SC12CCC(C)CC2
DelComponent,Please remove a amine from the molecule C=CCCCN(C)C(NCCCCCOC)=[NH+]C.,C=CCCCN(C)C(CCCCCOC)=[NH+]C
LogP,Please optimize the molecule Cc1cc(Br)ccc1C([NH3+])c1ccc(Cl)cc1F to have a lower LogP value.,CC(=O)c1ccc(C([NH3+])c2ccc(Cl)cc2F)c(C)c1
MR,Please modify the molecule CC(Cc1c(F)cccc1F)NC(=O)CC1CC[NH2+]C1 to decrease its MR value.,CC(Cc1c(F)cccc1F)C1CC[NH2+]C1
QED,Modify the molecule CCc1nc(C2CCCN(C(=O)c3ccc(OC)nc3)C2)n[nH]1 to decrease its QED value.,CCc1nc(C2CCCN(C(=O)c3ccc(OCN)nc3)C2)n[nH]1
AtomNum,"The molecule consists of 13 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CCC1CCCN(C(=O)c2cc(Cl)ncc2[N+](=O)[O-])C1
BondNum,"There is a molecule with 10 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(Nc1ncccc1F)C1CCCO1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, and 2 halo groups.",CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)Nc1ccc(Cl)cc1
AddComponent,Add a hydroxyl to the molecule CN1C(=O)CCC1C(=O)N1CCN(c2ncccn2)CC1.,CN1C(=O)C(O)CC1C(=O)N1CCN(c2ncccn2)CC1
SubComponent,Please substitute a halo in the molecule CCC(c1nc(CCl)cs1)[NH+](CC)Cc1cccs1 with a carboxyl.,CCC(c1nc(CC(=O)[OH])cs1)[NH+](CC)Cc1cccs1
DelComponent,Modify the molecule CC(O)CC1(C=NC2CCCCC2)CCCCC1 by removing a hydroxyl.,CCCC1(C=NC2CCCCC2)CCCCC1
LogP,Modify the molecule CC(C)[NH2+]C(C)(CCCC[NH+]1CCN(C)C(C)C1)C(=O)[O-] to have a lower LogP value.,CC(C)[NH2+]C(C)(CCCC[NH+]1CCN(CN)C(C)C1)C(=O)[O-]
MR,Optimize the molecule OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3c(cccc3-c3cccc4ccccc34)-c3cccc(-c4cccc5ccccc45)c32)cc1 to have a higher MR value.,OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3c(cccc3-c3cccc4ccccc34)-c3c(O)ccc(-c4cccc5ccccc45)c32)cc1
QED,Optimize the molecule CCc1ccncc1-c1cc2cc(NC(=O)C3CC3COC)ncc2c(N)n1 to have a higher QED value.,CCc1ccncc1-c1cc2cc(C(C)COC)ncc2c(N)n1
AtomNum,"The molecule contains 12 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1n[nH]c(C)c1NC(=O)NC1CCCC1C(=O)[O-]
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CCOc1ccc(NC(=O)NCC(C)CCO)cc1C
FunctionalGroup,The molecule consists of and 2 amide groups.,C=C(C)CNC(=O)c1ccc(C)nc1N1CCN(C(=O)c2ccco2)CC1
AddComponent,Modify the molecule Cc1c(CC(=O)[O-])nn2c1CCC2 by adding a hydroxyl.,Cc1c(CC(=O)[O-])nn2c1CCC2O
SubComponent,Modify the molecule halo by substituting a O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)NC1CCS(=O)(=O)C1 with a carboxyl.,O=C(CSc1nnc(-c2ccc(C(=O)[OH])cc2)n1Cc1ccccc1)NC1CCS(=O)(=O)C1
DelComponent,Please remove a halo from the molecule NC(=O)c1ccc(CSc2ccc(Cl)c(C(=O)[O-])c2)cc1.,NC(=O)c1ccc(CSc2cccc(C(=O)[O-])c2)cc1
LogP,Optimize the molecule O=C(Cc1csc(N2CCCC2=O)n1)NCCCc1nc2ccccc2s1 to have a higher LogP value.,CCc1nc(CC(=O)NCCCc2nc3ccccc3s2)cs1
MR,Modify the molecule CCC(C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O to increase its MR value.,CCC(C(=O)NCC(C)C)N(Cc1ccc(S)c(Cl)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O
QED,Optimize the molecule Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc(N2CCC(C)CC2)n1 to have a lower QED value.,Cc1cc(OCC(=O)Nc2cc(C(O)(F)F)ccc2Cl)nc(N2CCC(C)CC2)n1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 3 chlorine atoms.",CCOc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1
BondNum,"The molecule has 17 single bonds, 3 double bonds, 12 rotatable bonds, and 17 aromatic bonds.",CNC(=O)CNC(=O)c1cc2ccccc2cc1OCCCCNC(=O)C([NH3+])Cc1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 amine group, and 1 halo group.",C=CCNC(=S)N1CCC(C)(F)C1
AddComponent,Add a benzene ring to the molecule C=CC(=O)OCCC[Si](OCC)(OCC)O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si]5(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O5)O[Si](O[Si](C)(C)C)(O4)O1)O2.,C=CC(=O)OC(CC[Si](OCC)(OCC)O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si]5(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O5)O[Si](O[Si](C)(C)C)(O4)O1)O2)c1ccccc1
SubComponent,Please substitute a O=C(NC1CCCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O)c1ccc(OP(=O)([O-])[O-])cc1 in the molecule halo with a hydroxyl.,O=C(NC1CCCCN(Cc2cc(C(O)(F)F)cc(C(F)(F)F)c2)C1=O)c1ccc(OP(=O)([O-])[O-])cc1
DelComponent,Modify the molecule amine by removing a Cc1cc(C)n(CCCNS(=O)(=O)C(C)CNC(C)C)n1.,Cc1cc(C)n(CCCS(=O)(=O)C(C)CNC(C)C)n1
LogP,Modify the molecule CCC(Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Cl)S(=O)(=O)c1ccc(C)cc1 to decrease its LogP value.,CCC(Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1O)S(=O)(=O)c1ccc(C)cc1
MR,Please modify the molecule CCCOc1c(Cl)cc(C=CC(=O)NCc2ccnc(-n3cccn3)c2)cc1OC to increase its MR value.,CCCOc1c(OC)cc(C=CC(=O)NCc2ccnc(-n3cccn3)c2)c(C(=O)O)c1Cl
QED,Please optimize the molecule CCC(C)NC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O to have a lower QED value.,CCC(C)NC(=O)C(C)N(Cc1ccc(NO)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O
AtomNum,"The molecule consists of 29 carbon atoms, 5 oxygen atoms, 2 sulfur atoms, and 1 silicon atom.",COc1ccc(-c2ccc(-c3ccc(C4(CC(=O)OCC[Si](C)(C)C)CCCCS4(=O)=O)s3)cc2)cc1
BondNum,"Please generate a molecule with 14 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C(C=Cc1cccc(Cl)c1)N1CCC(=O)N(CCCl)CC1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 amide groups, and 1 nitro group.",CCC1Oc2ccc([N+](=O)[O-])nc2N(CC(=O)Nc2cc(C)ccc2OC)C1=O
AddComponent,Please add a amine to the molecule CCCc1ccn2c(n1)nc1c3ccccc3[nH]c12.,CC(N)Cc1ccn2c(n1)nc1c3ccccc3[nH]c12
SubComponent,Substitute a halo in the molecule CCCCC(NN)c1cccc(Cl)c1 with a aldehyde.,CC(=O)c1cccc(C(CCCC)NN)c1
DelComponent,Remove a halo from the molecule CCCC(C)OC(C[NH2+]CC)c1ccc(F)cc1.,CCCC(C)OC(C[NH2+]CC)c1ccccc1
LogP,Please optimize the molecule CC(O)CC(C)NC(=O)COc1cccc(N)c1 to have a higher LogP value.,CCCC(C)NC(=O)COc1cccc(N)c1
MR,Please optimize the molecule NC(=O)c1ccnc(-c2ccc(NCCC[NH3+])cn2)c1 to have a lower MR value.,NC(=O)c1ccnc(-c2ccc(CCC[NH3+])cn2)c1
QED,Modify the molecule CCN(Cc1ccccc1C#N)c1ccc(C)cc1 to increase its QED value.,CCN(Cc1ccccc1O)c1ccc(C)cc1
AtomNum,"Please generate a molecule composed of 26 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CN1CC[n+]2c(CC3(c4ccccn4)CCCC3)[nH]c(=O)c(OCc3ccccc3)c2C1=O
BondNum,"The molecule is composed of 6 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",[NH3+]Cc1ccc(C(F)F)cc1F
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 halo group.",[N-]=[N+]=NCC(N=[N+]=[N-])c1ccc(F)cc1
AddComponent,Modify the molecule CCOC1CCC2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1C2=O by adding a benzene ring.,CC(OC1CCC2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1C2=O)c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule CCC(C)C(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)CNC(=O)C(CO)NC(=O)C([NH3+])CO)C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)[O-])C(=O)[O-])C(C)O)C(C)C with a nitrile.,CCC(C)C(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)CNC(=O)C(CC#N)NC(=O)C([NH3+])CO)C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)[O-])C(=O)[O-])C(C)O)C(C)C
DelComponent,Modify the molecule amide by removing a COc1ccc2[nH]c(=O)c(CCC(=O)N3CCC(C)CC3)cc2c1.,COc1ccc2[nH]c(=O)c(CC3CCC(C)C3)cc2c1
LogP,Optimize the molecule Cc1cccc(NC(=O)c2cc(-c3cncc4ccccc34)c[nH]c2=O)c1 to have a lower LogP value.,CNC(=O)c1cc(-c2cncc3ccccc23)c[nH]c1=O
MR,Please optimize the molecule Nc1nnc(Br)c2cccnc12 to have a lower MR value.,Nc1nnc(S)c2cccnc12
QED,Modify the molecule c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5ccc(-c6ccc(-c7nc(-c8ccc9ccccc9c8)c8ccc9ccccc9c8n7)cc6)cc5)c4)c3)c2)cc1 to have a higher QED value.,c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccc(-c6ccc(-c7nc(-c8ccc9ccccc9c8)c8ccc9ccccc9c8n7)cc6)cc5)c4)c3)c2)cc1
AtomNum,"The molecule contains 11 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Cc1ccc(C2COCC(N)=[NH+]2)cc1
BondNum,"The molecule has 12 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(NC(=O)C[NH2+]C2(C(=O)[O-])CC2)cc1C
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",CCc1noc(CN(C)C(=O)C(C)n2nnc(-c3ccccc3)n2)n1
AddComponent,Add a hydroxyl to the molecule CSc1cccc(NC(=O)NC2CCN(C(=O)CCCOc3ccccc3)CC2)c1.,CSc1cccc(NC(=O)NC2CCN(C(=O)CC(O)COc3ccccc3)CC2)c1
SubComponent,Modify the molecule halo by substituting a CC(CNc1nc(Br)cs1)[NH+](C)C1CC1 with a aldehyde.,CC(=O)c1csc(NCC(C)[NH+](C)C2CC2)n1
DelComponent,Modify the molecule hydroxyl by removing a OCCc1ccnc(C(Cl)(Cl)Cl)c1.,CCc1ccnc(C(Cl)(Cl)Cl)c1
LogP,Modify the molecule CC(C)S(=O)(=O)c1ccc(C(O)c2cccs2)cc1 to have a lower LogP value.,CC(C)S(=O)(=O)C(O)c1cccs1
MR,Please optimize the molecule CNc1nccc(-c2sc(NC(C)=O)nc2C)n1 to have a lower MR value.,CNc1nccc(-c2scnc2C)n1
QED,Optimize the molecule CN1P(NC(C)(C)C)(NC(C)(C)C)=NP(NC(C)(C)C)(NC(C)(C)C)=N[P+]1(NC(C)(C)C)NC(C)(C)C to have a higher QED value.,CN1P(NC(C)(C)C)(C(C)(C)C)=NP(NC(C)(C)C)(NC(C)(C)C)=N[P+]1(NC(C)(C)C)NC(C)(C)C
AtomNum,"The molecule consists of 20 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CCC1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(F)c(Cl)cc3nc2-1
BondNum,"There is a molecule composed of 12 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(=C1C=CC([NH+](C)C)C=C1)c1ccc(N(C)C)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, 1 halo group, 1 thioether group, 1 nitrile group, and 1 sulfide group.",CC(CCO)Sc1cc(F)cc(C#N)c1
AddComponent,Please add a benzene ring to the molecule CCC(C(=O)N1CCC(c2nnsc2-c2cc(C)no2)CC1)c1ccccc1.,Cc1cc(-c2snnc2C2CCN(C(=O)C(CCc3ccccc3)c3ccccc3)CC2)on1
SubComponent,Modify the molecule halo by substituting a CC[NH+](CC)CCn1c(-c2ccccc2)nc2ccc(Br)cc2c1=O with a thiol.,CC[NH+](CC)CCn1c(-c2ccccc2)nc2ccc(S)cc2c1=O
DelComponent,Please remove a amine from the molecule CCCN(CC(N)=[NH+]O)C(=O)C(C)OC.,CCCN(CC=[NH+]O)C(=O)C(C)OC
LogP,Modify the molecule Cc1cc(C)c(C(=O)C(C)c2ccncc2)c(C)c1 to decrease its LogP value.,CCCC(=O)C(C)c1ccncc1
MR,Optimize the molecule c1cncc(-c2cnc(-c3ccc(-c4ccc5ccc6ccc(-c7cccc(-c8ccc9c%10c(cccc8%10)-c8ccccc8-9)c7)nc6c5n4)cc3)nc2)c1 to have a lower MR value.,c1cncc(-c2cnc(-c3ccc4ccc5ccc(-c6cccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)c6)nc5c4n3)nc2)c1
QED,Please optimize the molecule CN(Cc1ccccc1Br)c1ccc(S(=O)(=O)N2CCCCC2)cn1 to have a higher QED value.,CN(Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, and 1 oxygen atom.",Cc1ccc(CC2CCCCCC2O)cc1C
BondNum,"Please generate a molecule with 12 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C(NN)C2CCC2)c(OC)c1
FunctionalGroup,"The molecule is composed of 1 aldehyde group, 1 amide group, 3 amine groups, and 1 sulfone group.",CC(C)CC([NH3+])C(=O)N(C(C=O)CCC[NH+]=C(N)N)S(=O)(=O)c1cccc2ccccc12
AddComponent,Modify the molecule CC(C)(C)C1=CC[NH+](CCN2CCC([NH3+])CC2)CC1 by adding a benzene ring.,CC(C)(C)C1=C(c2ccccc2)C[NH+](CCN2CCC([NH3+])CC2)CC1
SubComponent,Modify the molecule O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CCCc2cccc(F)c21 by substituting a halo with a aldehyde.,CC(=O)c1ncccc1S(=O)(=O)N1CCC(C(=O)N2CCCc3cccc(F)c32)CC1
DelComponent,Remove a CC(C)(C)c1ccc(Nc2cnnc(Nc3ccc(F)c(F)c3)n2)cc1 from the molecule amine.,CC(C)(C)c1ccc(Nc2cnnc(-c3ccc(F)c(F)c3)n2)cc1
LogP,Please optimize the molecule CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O to have a lower LogP value.,CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(OC3OC(CO)C(O)(O)C(O)C3O)C2O)C(O)C1O
MR,Optimize the molecule c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c6ccc7ccccc7c6n5)c4)ccc32)cc1 to have a lower MR value.,c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c5ccc6ccccc6c5n4)ccc32)cc1
QED,Modify the molecule CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 to increase its QED value.,CSc1(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nc(C(C)C)nc-1C
AtomNum,"There is a molecule consisting of 15 carbon atoms, 8 oxygen atoms, 2 nitrogen atoms, and 2 phosphorus atoms.",COP(=O)(CCCn1c(C)cc(=O)n(CCCP(=O)(OC)OC)c1=O)OC
BondNum,"Please generate a molecule composed of 9 single bonds, 2 double bonds, 1 triple bond, 3 rotatable bonds, and 5 aromatic bonds.",CCOC(=O)c1sc([N+]#N)c(C(=O)OC)c1C
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, and 1 sulfone group.",COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccnc3)cc2)cc1
AddComponent,Modify the molecule CCCCC(=CS(=O)(=O)c1ccc(C)cc1)[NH+]1CCCC1 by adding a benzene ring.,CCCCC(=CS(=O)(=O)c1ccc(C)c(-c2ccccc2)c1)[NH+]1CCCC1
SubComponent,Substitute a halo in the molecule Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)CCC(=O)c2ccc(Cl)s2)c1 with a aldehyde.,CC(=O)c1ccc(C(=O)CCC(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)s1
DelComponent,Please remove a amide from the molecule CCC(C)C1[NH2+]C(c2cccc(C)c2)N(CCSC)C1=O.,CCC(C)[NH2+]C(CCSC)c1cccc(C)c1
LogP,Please optimize the molecule Cc1cc(Cl)cc2c(=O)n(CC(C)C)c(-c3cc(Cl)nn3-c3ncccc3Cl)nc12 to have a lower LogP value.,Cc1cc(NO)cc2c(=O)n(CC(C)C)c(-c3cc(Cl)nn3-c3ncccc3Cl)nc12
MR,Please optimize the molecule FC(F)(F)c1ccc(Oc2cccc(-n3ccnn3)c2)nn1 to have a higher MR value.,O=C([OH])C(F)(F)c1ccc(Oc2cccc(-n3ccnn3)c2)nn1
QED,Modify the molecule CCOC(=O)c1c[nH+]c(-c2ccc(C#N)cc2)[nH]1 to have a lower QED value.,CCOC(=O)c1c[nH+]c(-c2ccc(F)cc2)[nH]1
AtomNum,"The molecule consists of 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",NC(=S)c1ccc(Oc2ccccc2)nc1
BondNum,"The molecule contains 15 single bonds, 2 double bonds, and 2 rotatable bonds.",CC1CN(C(C)(C)CC(C)(C)C)C(=O)NC1=O
FunctionalGroup,"The molecule contains 4 benzene ring groups, 3 amide groups, 1 halo group, 1 thioether group, and 2 sulfide groups.",CCC(Sc1cccc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)c1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
AddComponent,Modify the molecule CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(O)OCC)c1ccc(-c2nc(N)sc2CC(C)C)o1 by adding a hydroxyl.,CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(O)(O)OCC)c1ccc(-c2nc(N)sc2CC(C)C)o1
SubComponent,Substitute a halo in the molecule O=C(NO)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1 with a thiol.,O=C(NO)c1ccc(Nc2ncc3c(n2)-c2ccc(S)cc2C(c2c(F)cccc2F)=NC3)cc1
DelComponent,Remove a benzene ring from the molecule ClCCN(CCCl)c1ccc(Cl)cc1.,ClCCN(Cl)CCCl
LogP,Optimize the molecule CC(OC(=O)CCc1nc(=O)c2ccccc2[nH]1)C(=O)Nc1sccc1C#N to have a higher LogP value.,CC(OC(=O)CCc1nc(=O)c2ccccc2[nH]1)C(=O)Nc1cccs1
MR,Modify the molecule COC(=O)c1cc(OC)cc(-c2c(N)oc(-c3ccccc3)c2O)c1 to increase its MR value.,COC(=O)c1cc(OC)cc(-c2c(N)oc(-c3ccc(O)cc3)c2O)c1
QED,Modify the molecule COc1cccc(-c2nc3c(C)cccn3c2N=Nc2cccc(O)c2)c1 to decrease its QED value.,COc1cccc(-c2nc3c(C)cccn3c2N=Nc2cccc(NO)c2)c1
AtomNum,"The molecule has 14 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=CN1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1
BondNum,"There is a molecule with 14 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 10 aromatic bonds.",Cn1cc(-c2nc(C(=O)N(C3CC3)C3(C#N)CCC3)cs2)cn1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 halo group, and 1 sulfide group.",O=C(c1cccc(Br)c1)n1sc(=O)c2ccccc21
AddComponent,Modify the molecule Cc1ccc(C(=O)CCOCCC(C)C)cc1 by adding a hydroxyl.,Cc1ccc(C(=O)CCOCCC(C)CO)cc1
SubComponent,Substitute a halo in the molecule Cc1cc(CO)c(C(F)(F)F)c(OC(F)(F)F)n1 with a aldehyde.,CC(=O)C(F)(F)c1c(CO)cc(C)nc1OC(F)(F)F
DelComponent,Modify the molecule hydroxyl by removing a Cc1ccccc1COc1ccc(S(=O)(=O)N2CC(O)CCC2C(=O)[O-])cc1.,Cc1ccccc1COc1ccc(S(=O)(=O)N2CCCCC2C(=O)[O-])cc1
LogP,Please modify the molecule Cn1[nH]c(=O)c2c1NC1=C(C(=O)C(C)(C)C1)C2c1ccc(Br)c(Cl)c1 to increase its LogP value.,Cn1[nH]c(=O)c2c1C1=C(C(=O)C(C)(C)C1)C2c1ccc(Br)c(Cl)c1
MR,Optimize the molecule CCC(O)[NH+]1CCC(OC)C1 to have a lower MR value.,CCC[NH+]1CCC(OC)C1
QED,Please optimize the molecule CC(NC(=O)C(C#N)c1ccccc1)c1ncc[nH]1 to have a lower QED value.,CC(C#N)(c1ccccc1)c1ncc[nH]1
AtomNum,"There is a molecule composed of 21 carbon atoms, and 1 nitrogen atom.",c1ccc2c(c1)-c1nc3ccccc3cc1CC21CCCC1
BondNum,"There is a molecule with 25 single bonds, 5 double bonds, 14 rotatable bonds, and 12 aromatic bonds.",CCC1=NC(CC)=C(C(=O)OCCCOc2ccc(CCCO)cc2)C(c2cccc([N+](=O)[O-])c2)C1C(=O)OC
FunctionalGroup,"Please generate a molecule composed of 1 amide group, 1 sulfide group, and 1 sulfone group.",COCCn1c(=NC(=O)CS(=O)(=O)CC(=O)N2CCCCC2)sc2ccccc21
AddComponent,Please add a amine to the molecule CCC1(CC)NC(=O)CCN(c2ccc(Br)cc2Br)C1=O.,CCC1(CC)NC(=O)CC(N)N(c2ccc(Br)cc2Br)C1=O
SubComponent,Please substitute a halo in the molecule O=C(Nc1ccccc1)C(Nc1c(F)c(F)[nH+]c(F)c1F)c1ccccc1 with a nitrile.,N#Cc1c(F)[nH+]c(F)c(F)c1NC(C(=O)Nc1ccccc1)c1ccccc1
DelComponent,Please remove a amine from the molecule CCC1(CC(C)C)CS(=O)(=O)c2ccccc2C(c2ccccc2)N1.,CCC1(CC(C)C)CS(=O)(=O)c2ccccc2C1c1ccccc1
LogP,Please modify the molecule CCOc1cccc(-c2nc(C3CC3)nc(NC)c2C)c1 to increase its LogP value.,CCOc1cccc(-c2nc(C3CC3)nc(C)c2C)c1
MR,Please modify the molecule CC(=O)N(CC(=O)[O-])C1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 to increase its MR value.,CC(=O)N(CC(=O)[O-])C1CCCN(C(=O)C(CC=O)Oc2cccc([N+](=O)[O-])c2)CC1
QED,Optimize the molecule CC([NH3+])CCCNS(=O)(=O)c1ccccc1C(F)(F)F to have a higher QED value.,CC([NH3+])CCCS(=O)(=O)c1ccccc1C(F)(F)F
AtomNum,There is a molecule composed of 26 carbon atoms.,C=Cc1ccc(CCCCCCCCCCc2ccc(C=C)cc2)cc1
BondNum,"There is a molecule composed of 21 single bonds, 3 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",COc1cc(C[NH+]2CC=C(c3ccc(CC(NC(=O)c4c(Cl)cccc4Cl)C(=O)[O-])cc3)CC2)cc(OC)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 2 thioether groups, and 1 sulfide group.",Cc1c(NC(=O)c2ccc(C=CC3CC3)cc2)ccc2cc(C[NH2+]C3CCSCC3)cnc12
AddComponent,Please add a amine to the molecule C[N+](C)(C)CC(=O)N=NC=C1C=C(N([O-])[O-])C=CC1=O.,C[N+](C)(C)CC(=O)N=NC=C1C=C(N([O-])[O-])C(N)=CC1=O
SubComponent,Modify the molecule hydroxyl by substituting a Nc1nc(N(N)CO)nc(N(CO)CO)n1 with a carboxyl.,Nc1nc(N(N)CC(=O)[OH])nc(N(CO)CO)n1
DelComponent,Remove a Cc1nccc(C2CCCN(c3nc(C)nc(C)c3F)C2)n1 from the molecule halo.,Cc1cc(N2CCCC(c3ccnc(C)n3)C2)nc(C)n1
LogP,Modify the molecule CC1CC(C)CN(c2ccc(C(=O)NC(C)c3nc4ccc(Cl)cc4[nH]3)cc2)C1 to decrease its LogP value.,CC1CC(C)CN(c2ccc(C(=O)NC(C)c3nc4ccccc4[nH]3)cc2)C1
MR,Please modify the molecule c1ccc2c(c1)C[NH2+]C(CC1CCC[NH2+]C1)C2 to increase its MR value.,c1ccc(C2CC[NH2+]CC2CC2Cc3ccccc3C[NH2+]2)cc1
QED,Please optimize the molecule Cc1[nH+]cc(-c2ccnc(Nc3ccc(C(=O)N4CCC([NH+](C)C)C4)c(F)c3)n2)n1C(C)C to have a higher QED value.,Cc1[nH+]cc(-c2ccnc(-c3ccc(C(=O)N4CCC([NH+](C)C)C4)c(F)c3)n2)n1C(C)C
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",Cc1csc(-c2cccc(C(=O)NCCCn3c(C)nc4ccccc43)c2)n1
BondNum,"The molecule consists of 15 single bonds, 6 double bonds, and 9 rotatable bonds.",C=C(C=CC(=O)N(CC)CC(=CC)C=C(OC)C(=C)C)CC
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1cccc(C(=O)NC2CCCCC2C)c1NC(=O)C(C)NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(=O)Nc3c(F)cccc3F)c2C)CC1
AddComponent,Modify the molecule CC(C)(C)C(=O)C(=O)NCC(O)(O)C(Cc1ccccc1)N(N)C(=O)OCCCCc1ccccc1 by adding a hydroxyl.,CC(C)(C)C(=O)C(=O)NC(O)C(O)(O)C(Cc1ccccc1)N(N)C(=O)OCCCCc1ccccc1
SubComponent,Modify the molecule halo by substituting a BrP1Oc2ccccc2-c2c1ccc1ccccc21 with a nitrile.,N#CP1Oc2ccccc2-c2c1ccc1ccccc21
DelComponent,Modify the molecule amide by removing a CC1CN(c2ccc(NC(=O)CSCC(O)c3ccccc3)cc2)CC(C)O1.,CC1CN(c2ccc(SCC(O)c3ccccc3)cc2)CC(C)O1
LogP,Modify the molecule CCn1cc(Cl)cc1C(=O)NC1CCC([NH2+]C)CC1 to decrease its LogP value.,CCn1cc(S)cc1C(=O)NC1CCC([NH2+]C)CC1
MR,Modify the molecule CC(=O)c1nccc(CO)n1 to have a lower MR value.,CC(=O)c1nccc(C)n1
QED,Please modify the molecule COc1cc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc(OC)c1 to increase its QED value.,COc1cc(OC)cc(C2CCCN2c2ccc(-c3ccc(Cl)cc3)nn2)c1
AtomNum,"The molecule has 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 fluorine atom.",[NH3+]CC1CCC(c2cccc(F)c2)NC1=O
BondNum,"There is a molecule consisting of 17 single bonds, 2 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",CCCCCCC(C)NC(=O)Nc1cccc(N2CCCC2=O)c1
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, and 1 ester group.",CCOC(=O)c1cc(C)c(C)nc1N1CCC([NH2+]C2CCCCC2)C(O)C1
AddComponent,Add a benzene ring to the molecule COc1cc(NC2CC(c3ccccc3)C2)ccc1Br.,COc1c(Br)ccc(NC2CC(c3ccccc3)C2)c1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a CC(C)(C)n1nc(C(F)(F)F)c2c1C1CC1CO2 with a aldehyde.,CC(=O)C(F)(F)c1nn(C(C)(C)C)c2c1OCC1CC21
DelComponent,Remove a Cn1c(=O)[nH]c(=O)c2c1nc(NN=Cc1c(F)cccc1Cl)n2CCO from the molecule hydroxyl.,CCn1c(NN=Cc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C
LogP,Modify the molecule CC1(C)Oc2ccc(C#N)cc2C(N(CC(=O)[O-])c2nc3ccccc3o2)C1O to have a lower LogP value.,CC1(C)Oc2ccc(O)cc2C(N(CC(=O)[O-])c2nc3ccccc3o2)C1O
MR,Modify the molecule CCOc1ccc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccc(OC)c(OC)c2)C3)cc1Cl to have a lower MR value.,CCOc1ccc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccc(OC)c(OC)c2)C3)cc1C#N
QED,Modify the molecule CC(C(=O)[O-])([NH+]1CCCCC1)C(F)(F)F to decrease its QED value.,CC(C(=O)[O-])(C(F)F)[NH+]1CCCCC1
AtomNum,"The molecule contains 25 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",C=Cc1cc(N2CC[NH+]3CCCC3C2)ccc1S(=O)(=O)C1CCN(c2cccc(C#N)n2)C1
BondNum,"Please generate a molecule consisting 12 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",COC1CCN(c2cc(Br)ccc2CCl)CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, and 2 amine groups.",CCc1ccc(Nc2ncnc(N3CCC(C(=O)OC)CC3)c2N)cc1
AddComponent,Modify the molecule CC(C)(O)CCSc1cc2ccccc2[nH]1 by adding a hydroxyl.,CC(C)(O)CCSc1cc2c(O)cccc2[nH]1
SubComponent,Substitute a Nc1ccnc(Oc2c(C3CCCC3)ccc(-c3cnc(N)nc3)c2F)n1 in the molecule halo with a aldehyde.,CC(=O)c1c(-c2cnc(N)nc2)ccc(C2CCCC2)c1Oc1nccc(N)n1
DelComponent,Please remove a amide from the molecule C=CCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2ccc(C)c(C)c2)C1=O.,C=CC(Nc1cccc(Cl)c1C)C(=O)Cc1ccc(C)c(C)c1
LogP,Please modify the molecule CC(NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC1CSSCC(C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-])NC(=O)C(CCCNC(N)=O)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CCCC[NH3+])NC(=O)C(CCCC[NH3+])NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC1=O to increase its LogP value.,CC(NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC1CSSCC(C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-])NC(=O)C(CCCNC(N)=O)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CCCC[NH3+])NC(=O)C(CCCC[NH3+])NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(Cc2ccccc2)NC1=O
MR,Please modify the molecule O=C(Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 to increase its MR value.,O=C(Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)Nc1ccc(F)cc1)c1ccc(F)c(O)c1
QED,Modify the molecule CC[NH2+]CCCCS(=O)(=O)NCc1ccnc(C)n1 to decrease its QED value.,CC[NH2+]CCCC(O)S(=O)(=O)NCc1ccnc(C)n1
AtomNum,"The molecule consists of 27 carbon atoms, 6 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",O=C(NCc1csc2c1S(=O)(=O)N=C(c1c([O-])c3ccccc3n(Cc3ccccc3)c1=O)N2)N1CCOCC1
BondNum,"Please generate a molecule composed of 5 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",Cc1[nH]c2c(CC(N)=[NH2+])cccc2c1C
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 3 hydroxyl groups.",C=C1C=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(C)c21
AddComponent,Add a aldehyde to the molecule CC(C)C(NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCCCCCC1.,CC(C)C(NC(=O)c1ccc(CC=O)cc1Cl)C(=O)OCC(=O)N1CCCCCCC1
SubComponent,Modify the molecule O=C(CCCCCCC(=O)C(F)(F)F)Nc1ccc(C2CCCCC2)cc1 by substituting a halo with a hydroxyl.,O=C(CCCCCCC(=O)C(O)(F)F)Nc1ccc(C2CCCCC2)cc1
DelComponent,Remove a COCCNC(=O)c1ccc(C(N)=[NH+]O)cc1 from the molecule hydroxyl.,COCCNC(=O)c1ccc(C(=[NH+])N)cc1
LogP,Modify the molecule CCc1cccc(C(CBc2[nH]c(-c3ccccc3)c[nH+]2)c2cccc(F)c2)c1 to decrease its LogP value.,CCc1cccc(C(CBc2[nH]c(-c3cccc(O)c3)c[nH+]2)c2cccc(F)c2)c1
MR,Optimize the molecule Cc1cc(C(=O)COc2cccc(Br)c2)c(C)n1C1CCCC1 to have a higher MR value.,Cc1cc(C(=O)COc2cccc(Br)c2)c(C)n1C1(c2ccccc2)CCCC1
QED,Optimize the molecule Cc1nn(C)c(NCC(C)(C)c2cccs2)c1C#N to have a lower QED value.,Cc1nn(C)c(NCC(C)(C)c2cc(N)cs2)c1C#N
AtomNum,"There is a molecule composed of 10 carbon atoms, and 4 oxygen atoms.",CCC(O)COC(C)COC(C)CO
BondNum,"The molecule contains 17 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",CC(NC(=O)Nc1ccc(N2CCCC2=O)cc1)c1nnc2n1CCCC2
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 ketone group, 1 ester group, 1 amide group, and 1 halo group.",O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1
AddComponent,Add a carboxyl to the molecule O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2nc3ccccc3s2)CC1.,O=C(O)C1CN(C(=O)c2cc(=O)c3ccccc3o2)CCN1c1nc2ccccc2s1
SubComponent,Substitute a halo in the molecule [NH3+]C1(Cn2c(CN3C(=O)C4(CC4)c4ccncc43)nc3cc(Cl)ccc32)COC1 with a thiol.,[NH3+]C1(Cn2c(CN3C(=O)C4(CC4)c4ccncc43)nc3cc(S)ccc32)COC1
DelComponent,Remove a benzene ring from the molecule Cc1cccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1.,COCC(=O)Nc1nc(-c2ccc(F)cc2)cs1
LogP,Modify the molecule Cc1nc(C)n(-c2c(F)cccc2C[NH2+]C2CC2)n1 to decrease its LogP value.,Cc1nc(C)n(-c2c(C[NH2+]C3CC3)cccc2NO)n1
MR,Modify the molecule Cc1nccc(C[NH2+]C2CCCC2O)n1 to increase its MR value.,Cc1nc(C[NH2+]C2CCCC2O)cc(-c2ccccc2)n1
QED,Modify the molecule CCOc1cccc(CCC[NH2+]CCc2c[nH]c3ccccc23)c1 to have a higher QED value.,CCOCCC[NH2+]CCc1c[nH]c2ccccc12
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc(CC(C)NC(=O)NC(C)CCO)c(C)c1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",O=C(NCC(O)COCC1CC1)Nc1cccc2ccccc12
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, and 2 sulfone groups.",CCCC(C)NS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C
AddComponent,Please add a hydroxyl to the molecule COC(CNC(=O)N(C)C)CC(=O)[O-].,CN(C)C(=O)NCC(CC(=O)[O-])OCO
SubComponent,Substitute a halo in the molecule Cc1cnc(C(NN)c2cc(F)ccc2F)cn1 with a thiol.,Cc1cnc(C(NN)c2cc(S)ccc2F)cn1
DelComponent,Remove a amide from the molecule COC(=O)NC1CCN(C(=O)CC2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1.,COC(=O)NC1CCC2(CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)C1
LogP,Modify the molecule COc1ccc(Cl)cc1NC(=O)OCc1cccc(F)c1 to decrease its LogP value.,COc1ccc(NO)cc1NC(=O)OCc1cccc(F)c1
MR,Please modify the molecule COc1nc(C)ccc1C(=O)N1CC(C(=O)[O-])C(c2ccc(Cl)cc2)C1 to increase its MR value.,COc1nc(C)ccc1C(=O)N1CC(C(=O)[O-])C(c2ccc(Cl)c(C(=O)O)c2)C1
QED,Modify the molecule O=C(NCc1ccco1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 to decrease its QED value.,O=C(NCc1cc(O)co1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1
AtomNum,"There is a molecule composed of 11 carbon atoms, and 4 nitrogen atoms.",Nc1cc[nH+]c(NCc2ccncc2)c1
BondNum,"There is a molecule composed of 54 single bonds, 2 double bonds, and 32 rotatable bonds.",CCCCCCCCCCCCCCCCOC(=O)CCCCCCC([NH3+])C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
FunctionalGroup,"Please generate a molecule with 1 halo group, and 1 sulfide group.",CC(C)c1nc(COn2nnc3ccc(Cl)cc32)cs1
AddComponent,Please add a hydroxyl to the molecule C[NH+](C)CCNC(=O)c1cccc(NC(=O)COc2ccccc2)c1.,C[NH+](C)CCNC(=O)c1cccc(NC(=O)COc2ccccc2)c1O
SubComponent,Modify the molecule halo by substituting a CCc1ccc(C=C(Cl)c2nc(-c3ccc(OC)cc3)no2)cc1[N+](=O)[O-] with a hydroxyl.,CCc1ccc(C=C(O)c2nc(-c3ccc(OC)cc3)no2)cc1[N+](=O)[O-]
DelComponent,Modify the molecule halo by removing a Nc1ccc2c(c1)N=C(c1cc(Br)c(Br)s1)CO2.,Nc1ccc2c(c1)N=C(c1cc(Br)cs1)CO2
LogP,Please optimize the molecule COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)OC(=O)CCSc1ccccc1 to have a higher LogP value.,COc1ccc(I=O)cc1NC(=O)C(C)OC(=O)CCSc1ccccc1
MR,Please optimize the molecule CCc1c(C)nc2cc(C3CCCN3C(=O)CC(C)n3cncn3)[nH]n2c1=O to have a lower MR value.,CCc1c(C)nc2cc(C3CCC3C(C)n3cncn3)[nH]n2c1=O
QED,Modify the molecule CC(O)CCN(C)C(=O)c1cc2ccccc2cc1O to decrease its QED value.,CC(CCN(C)C(=O)c1cc2ccccc2cc1O)C(=O)[OH]
AtomNum,"The molecule has 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",COc1ccsc1C(=O)NC1(C(N)=S)CCCCC1
BondNum,"There is a molecule composed of 9 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(C)c1Br
FunctionalGroup,"The molecule has 2 amide groups, 1 thioether group, 1 nitrile group, and 1 sulfide group.",N#CC1C2=C(CN(C(=O)CCn3ccnc3)CC2)SC1NC(=O)CCC1CCCCC1
AddComponent,Add a benzene ring to the molecule CCCOc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)C2c2ccc(C)cc2)cc1.,CCCOc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)C2c2ccc(C)cc2-c2ccccc2)cc1
SubComponent,Modify the molecule Cc1cc[n+](CCCC(=O)O)cc1 by substituting a hydroxyl with a halo.,Cc1cc[n+](CCCC(=O)I)cc1
DelComponent,Remove a hydroxyl from the molecule COC1C(O)OC(C)C(O)C1C.,COC1COC(C)C(O)C1C
LogP,Optimize the molecule CCCNc1cccc(N(C)CCO)c1[N+](=O)[O-] to have a higher LogP value.,CCCNc1cccc(N(C)CCC(=O)[OH])c1[N+](=O)[O-]
MR,Optimize the molecule CCCS(=O)(=O)CCOc1ccc(CCO)cc1 to have a higher MR value.,CCCS(=O)(=O)CCOc1ccc(CCNO)cc1
QED,Modify the molecule CCCC([NH2+]C1CCCCC1(C)C)c1ccc(Cl)cc1 to increase its QED value.,CCCC([NH2+]C1CCCCC1(C)C)c1ccc(C#N)cc1
AtomNum,"The molecule has 41 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1cc(F)ccc1NC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3cc(C(=O)NC4CCCC4)ccc3Cl)C(C)C)CC2)c(C)c1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 7 rotatable bonds, and 18 aromatic bonds.",COc1ccc(CNc2cncc(C(=O)Nc3ccccc3Cl)c2)cc1OC
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amine group.",CC(C)c1cccc(Oc2ncnc3cc(N)ccc23)c1
AddComponent,Modify the molecule C=CCc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 by adding a benzene ring.,C=CCc1c(OCc2ccc(C(=O)[O-])cc2)c(OCC)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a CC1CS(=O)(=O)CCN1c1cc(N)cc(F)c1 with a nitro.,CC1CS(=O)(=O)CCN1c1cc(N)cc(NO)c1
DelComponent,Modify the molecule amine by removing a O=C(NCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3F)cc2)n1)c1ccccc1.,O=C(NCCOCCOCCc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3F)cc2)n1)c1ccccc1
LogP,Modify the molecule CC(C)C(NC(=O)C([NH3+])Cc1ccccc1)C(=O)NCC(=O)NC(C(=O)[O-])C(C)O to have a lower LogP value.,CC(C)C(NC(=O)C([NH3+])Cc1ccccc1)C(=O)NCC(=O)NC(C(=O)[O-])C(C)NO
MR,Please optimize the molecule Cc1cc(Br)ccc1OCCC[NH+]1CCCCCC1 to have a lower MR value.,Cc1cc(NO)ccc1OCCC[NH+]1CCCCCC1
QED,Please optimize the molecule COc1ccc(NC(=S)Nc2ccccc2Cl)cn1 to have a lower QED value.,COc1ccc(NC(=S)Nc2ccc(O)cc2Cl)cn1
AtomNum,"The molecule is composed of 31 carbon atoms, 6 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",CC(C)NC(=O)c1ccccc1NC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2Cl)CC1
BondNum,"There is a molecule consisting of 8 single bonds, 2 double bonds, 1 rotatable bond, and 10 aromatic bonds.",CC1(c2ccc3ncoc3c2)CNC(=O)C(=O)N1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 1 sulfide group.",COc1ccc(Cc2cnc(NC(=O)c3ccc(C(C)C)[nH]c3=O)s2)cc1
AddComponent,Modify the molecule O=C(C1CCCC[NH2+]1)N1CCCC2(CC[NH2+]C2)C1 by adding a aldehyde.,O=CCC1CCN(C(=O)C2CCCC[NH2+]2)CC12CC[NH2+]C2
SubComponent,Modify the molecule halo by substituting a CSc1nc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2s1 with a nitrile.,CSc1nc2ccc(NS(=O)(=O)Cc3ccccc3C#N)cc2s1
DelComponent,Modify the molecule halo by removing a CC1CCC([NH2+]CC(F)(F)F)(C(=O)[O-])C(C)C1.,CC1CCC([NH2+]CC(F)F)(C(=O)[O-])C(C)C1
LogP,Modify the molecule CC(=O)N(c1nc(C=CC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cs1)c1ccccc1F to decrease its LogP value.,CC(=O)N(c1nc(C=CC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cs1)c1ccccc1C#N
MR,Modify the molecule FC(F)CN1CCC2(CC1)Nc1ccccc1NC2=[NH+]Cc1cccc(Cl)c1 to increase its MR value.,OC(F)CN1CCC2(CC1)Nc1ccccc1NC2=[NH+]Cc1cccc(Cl)c1
QED,Modify the molecule CSCC(NC(=O)CCn1nc(C)cc1C)C(=O)NC(CC(C)C)C(O)CC(C)C(=O)NC(C(=O)NCC(C)C)C(C)C to have a lower QED value.,CSCC(NC(=O)CCn1nc(C)cc1C)C(=O)NC(CC(C)C)C(S)CC(C)C(=O)NC(C(=O)NCC(C)C)C(C)C
AtomNum,"The molecule has 33 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, 4 fluorine atoms, and 1 chlorine atom.",C=CC=CC=C(Cc1noc(C2CC2)c1COc1ccc(C2(O)CCN(c3cc(F)cc(C(=O)[O-])c3)CC2)c(Cl)c1)OC(F)(F)F
BondNum,"The molecule is composed of 13 single bonds, 3 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(Cl)s2)c1
FunctionalGroup,The molecule is composed of and 1 ester group.,COC(=O)c1coc(C[NH2+]CCC2CCC2)c1
AddComponent,Add a benzene ring to the molecule O=C(NCC1CCCCC1)c1cn2cc(-c3ccc(C(F)(F)F)cc3)sc2[nH+]1.,O=C(NC(c1ccccc1)C1CCCCC1)c1cn2cc(-c3ccc(C(F)(F)F)cc3)sc2[nH+]1
SubComponent,Modify the molecule halo by substituting a CCCNc1cc(N2CCCCCC2)nc(C(F)(F)F)n1 with a nitrile.,CCCNc1cc(N2CCCCCC2)nc(C(F)(F)C#N)n1
DelComponent,Please remove a benzene ring from the molecule COc1ccc(N2CCCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)cc1.,CON1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1
LogP,Please modify the molecule O=C(NN=Cc1ccc(Br)cc1)C(=O)Nc1ccc2ccccc2c1 to decrease its LogP value.,O=C(NN=Cc1ccc(S)cc1)C(=O)Nc1ccc2ccccc2c1
MR,Optimize the molecule Nc1ccc(F)c2c(Cl)nccc12 to have a higher MR value.,N#Cc1ccc(N)c2ccnc(Cl)c12
QED,Modify the molecule CC1CCN(c2ccc(NC(=O)c3ccccc3Br)cn2)CC1 to have a lower QED value.,CC1CCN(c2ccc(NC(=O)Br)cn2)CC1
AtomNum,"Please generate a molecule with 16 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",O=S(=O)(NC1CCC(c2ccc(O)cc2O)CC1)c1cccs1
BondNum,Please generate a molecule composed of 24 single bonds.,C[N+]12CN3C4C5CCCC5C1C1C5CC(C14)C3C52
FunctionalGroup,"Please generate a molecule consisting 1 ester group, and 3 amide groups.",COCCCNC(=O)c1cc2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc2oc1=O
AddComponent,Add a hydroxyl to the molecule CC(C)CC(O)c1ccc2[nH]c(=O)oc2c1.,CC(CO)CC(O)c1ccc2[nH]c(=O)oc2c1
SubComponent,Please substitute a C[NH2+]CCc1c(F)c(OC)cc2c1OCO2 in the molecule halo with a aldehyde.,CC(=O)c1c(OC)cc2c(c1CC[NH2+]C)OCO2
DelComponent,Remove a hydroxyl from the molecule Cc1ccc(C(=O)NCCC(=O)NC(C)(C)C)cc1O.,Cc1ccc(C(=O)NCCC(=O)NC(C)(C)C)cc1
LogP,Optimize the molecule CCCCCCC(=O)NCCCC(=O)n1c(=O)ccc2ccc(OCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)cc21 to have a higher LogP value.,CC(CCCCC(=O)NCCCC(=O)n1c(=O)ccc2ccc(OCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)cc21)c1ccccc1
MR,Modify the molecule COc1ccc(CC[NH2+]Cc2c(C(=O)[O-])n(Cc3ccc(Cl)cc3)c3ccccc23)c(OC)c1OC to increase its MR value.,COc1ccc(CC[NH2+]Cc2c(C(=O)[O-])n(Cc3ccc(C(=O)[OH])cc3)c3ccccc23)c(OC)c1OC
QED,Optimize the molecule Cn1cnc(C(=O)N2CCC(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 to have a lower QED value.,Cn1cc(C(=O)N2CCC(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)nc1-c1ccccc1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, and 5 nitrogen atoms.",c1cc(C[NH+]2CCCC2)cc(-n2ccc(-c3cnccn3)n2)c1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, and 6 rotatable bonds.",CCCCC(C)CC=NC(C)C
FunctionalGroup,There is a molecule consisting of and 1 amide group.,C[NH2+]CCCC(=O)N1CCC(C(C)C)CC1
AddComponent,Please add a benzene ring to the molecule N#Cc1c(Br)ccc(F)c1C(O)(C1CCCCC1)C1CCCCC1.,N#Cc1c(Br)ccc(F)c1C(O)(C1CCCCC1)C1CCCC(c2ccccc2)C1
SubComponent,Please substitute a halo in the molecule CNC(=S)N1CCCC1c1cc(-c2cccc(F)c2)on1 with a hydroxyl.,CNC(=S)N1CCCC1c1cc(-c2cccc(O)c2)on1
DelComponent,Please remove a halo from the molecule Fc1cnc(-n2cccn2)nc1.,c1cnc(-n2cccn2)nc1
LogP,Please modify the molecule COC1CC[NH+](CCn2cc(C(=O)[O-])nn2)C(C)C1 to decrease its LogP value.,COC1CC[NH+](C(O)Cn2cc(C(=O)[O-])nn2)C(C)C1
MR,Modify the molecule CCOc1cc(CNc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 to have a higher MR value.,Cc1ccc(NC(=O)COc2c(Br)cc(CNc3ccc(S(N)(=O)=O)cc3)cc2OC(C)C(=O)O)cc1
QED,Please optimize the molecule CC(NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCC[NH2+]1)C(C)O)C(=O)[O-] to have a higher QED value.,CCC(NC(=O)C1CCCN1C(=O)C1CCC[NH2+]1)C(=O)NC(C)C(=O)[O-]
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 2 sulfur atoms, 3 fluorine atoms, and 1 chlorine atom.",O=S1(=O)CCC(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1
BondNum,"The molecule contains 12 single bonds, 7 rotatable bonds, and 12 aromatic bonds.",c1ccc(COc2ccc(CCOC3CC[NH2+]C3)cc2)cc1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 1 amide group, and 1 sulfone group.",O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
AddComponent,Modify the molecule COC(=O)c1ccc(CCC2CCOCC2)cc1 by adding a benzene ring.,O=C(OCc1ccccc1)c1ccc(CCC2CCOCC2)cc1
SubComponent,Modify the molecule hydroxyl by substituting a C[NH2+]Cc1ccc(N2CCCC(O)C2)nc1 with a nitro.,C[NH2+]Cc1ccc(N2CCCC(NO)C2)nc1
DelComponent,Remove a amine from the molecule CC(C)Cc1cc(N)c(N(C)C)n1C.,CC(C)Cc1ccc(N(C)C)n1C
LogP,Modify the molecule COC(=O)C1=C(C)Nc2[nH]c(SCc3ccccc3F)nc(=O)c2C1c1ccc(OC)c(OC)c1 to have a lower LogP value.,COC(=O)C1=C(C)Nc2[nH]c(SCc3c(F)cccc3C(=O)O)nc(=O)c2C1c1ccc(OC)c(OC)c1
MR,Please optimize the molecule Cc1nc2ccccc2nc1C[NH+]1CCC(C2(C)NC(=O)N(Cc3ccsc3)C2=O)CC1 to have a lower MR value.,Cc1nc2ccccc2nc1C[NH+]1CCC(CNC(=O)Cc2ccsc2)CC1
QED,Modify the molecule COC(=O)CC1CC[NH+](C)C(c2cccc(OC)c2)C1 to have a lower QED value.,COC(=O)CC1CC[NH+](C)C(c2ccccc2)(c2cccc(OC)c2)C1
AtomNum,"There is a molecule with 17 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cccc(C[NH2+]C(C)c2cc3c(s2)CCCC3)n1
BondNum,"There is a molecule consisting of 10 single bonds, 2 double bonds, and 6 rotatable bonds.",O=S(=O)(NCCCCBr)C1CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, and 1 amide group.",CCCCCCC(=CC=CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
AddComponent,Add a benzene ring to the molecule CC(=O)N1CCC[NH+](C2CCOCC2)CCC[NH2+]Cc2ccccc21.,CC(=O)N1CCC[NH+](C2CCOC(c3ccccc3)C2)CCC[NH2+]Cc2ccccc21
SubComponent,Please substitute a N#Cc1cc2nc3ccccc3n2c(C#N)cc2nc3ccccc3n12 in the molecule nitrile with a nitro.,N#Cc1cc2nc3ccccc3n2c(NO)cc2nc3ccccc3n12
DelComponent,Please remove a hydroxyl from the molecule CN1C(=O)CCOc2ccc(CCC(C)(C)O)cc21.,CC(C)CCc1ccc2c(c1)N(C)C(=O)CCO2
LogP,Optimize the molecule CCCc1ccc2c(N)c(C(=O)c3c(O)on[n+]3-c3ccc(OC(F)(F)F)cc3)sc2n1 to have a higher LogP value.,CCCc1ccc2cc(C(=O)c3c(O)on[n+]3-c3ccc(OC(F)(F)F)cc3)sc2n1
MR,Modify the molecule CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(C(F)(F)F)CC5)CC4(C)C)oc23)CC1 to have a higher MR value.,CC1(c2cc(-c3ccc(NO)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(C(F)(F)F)CC5)CC4(C)C)oc23)CC1
QED,Please modify the molecule CC(C)(O)C1CCCN1C(=O)c1cc(-c2ccc(Cl)s2)on1 to decrease its QED value.,CC(C)C1CCCN1C(=O)c1cc(-c2ccc(Cl)s2)on1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",COCCN(CCC(=O)OC)c1ncc(C)cc1Br
BondNum,"The molecule is composed of 15 single bonds, 2 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CCN(Cc1cccc(F)c1)C(=O)C[NH+](C)CC(=O)Nc1cccc(OC)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 2 amide groups.",Cc1ccc(CC(=O)N2CCOC(c3cc(C(=O)NCCO)c4ccccc4n3)C2)cc1C
AddComponent,Modify the molecule Cc1cc(C)c(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)c(C)c1 by adding a hydroxyl.,Cc1cc(C)c(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)c(CO)c1
SubComponent,Please substitute a C=C(Cc1ccccc1)C(CO)NC(=O)OC(C)(C)C in the molecule hydroxyl with a carboxyl.,C=C(Cc1ccccc1)C(CC(=O)[OH])NC(=O)OC(C)(C)C
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(N2CCN(C(=O)CCN3CCSC3=O)CC2)cc1.,CON1CCN(C(=O)CCN2CCSC2=O)CC1
LogP,Modify the molecule C=CCc1cccc(C2C(C=C)=CCC3C(=O)C(C)=C(C)C(=O)C32C)c1O to have a higher LogP value.,C=CCc1cccc(C2C(C=C)=CCC3C(=O)C(C)=C(C)C(=O)C32C)c1NO
MR,Please optimize the molecule Cc1csc(C2C[NH+](CC(=O)NC(=O)NC3CC3)CCO2)n1 to have a lower MR value.,Cc1csc(C2C[NH+](C(=O)NC3CC3)CCO2)n1
QED,Please optimize the molecule NC(=[NH+]O)C1(NC(=O)COc2cccc(Cl)c2)CCCC1 to have a lower QED value.,NC(=[NH+]O)C1(NC(=O)COc2ccc(O)c(Cl)c2)CCCC1
AtomNum,"There is a molecule consisting of 18 carbon atoms, and 1 selenium atom.",CC1C([Se]c2ccccc2)=C(c2ccccc2)C1C
BondNum,"The molecule consists of 15 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",O=C(c1ccccc1-n1nccn1)N1CC2CCC1C(Oc1ccc(Cl)cn1)C2
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 1 nitrile group.",CC(C)c1ccccc1COc1cccc(C#N)c1
AddComponent,Please add a benzene ring to the molecule C=CCOc1ccc(C2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2CC[NH+](CC)CC)cc1OC.,C=CCOc1ccc(C2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2CC[NH+](CC)CC)c(-c2ccccc2)c1OC
SubComponent,Substitute a halo in the molecule Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(-c2ccccc2)sc1OC(=O)[O-] with a carboxyl.,Cc1cc(C(=O)[OH])ccc1S(=O)(=O)Nc1cc(-c2ccccc2)sc1OC(=O)[O-]
DelComponent,Remove a halo from the molecule Fc1cccc(N2CCn3cnnc3C2)n1.,c1ccc(N2CCn3cnnc3C2)nc1
LogP,Please modify the molecule Cc1cc(S(=O)(=O)N2CC(CO)c3ccccc32)c(F)cc1F to increase its LogP value.,CC(=O)CC1CN(S(=O)(=O)c2cc(C)c(F)cc2F)c2ccccc21
MR,Please modify the molecule C[NH+]1CCCC1Cc1nc(CC(N)=O)nn1-c1cccc(C(F)(F)F)c1 to increase its MR value.,CC(=O)C(F)(F)c1cccc(-n2nc(CC(N)=O)nc2CC2CCC[NH+]2C)c1
QED,Please optimize the molecule COc1ccc(C(=O)c2cc(F)c(Cl)cc2F)cc1OC to have a higher QED value.,CC(=O)c1cc(C(=O)c2ccc(OC)c(OC)c2)c(F)cc1Cl
AtomNum,"The molecule contains 35 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",CN(C)c1ccc(NC(=O)Cc2ccc(NC(=O)CCc3oc(-n4cnc5ccccc54)nc3-c3ccc(Cl)cc3)cc2)cc1
BondNum,"Please generate a molecule consisting 13 single bonds, 1 triple bond, 6 rotatable bonds, and 22 aromatic bonds.",COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nnc(-c4occc4C)o3)n2)cc1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,CCc1ccc(OP(=O)([O-])[O-])cc1
AddComponent,Modify the molecule C[NH+]1CCN(C(=[NH2+])C(C)(C)c2ccc(F)cc2)CC1 by adding a hydroxyl.,CC(C)(C(=[NH2+])N1CC[NH+](CO)CC1)c1ccc(F)cc1
SubComponent,Please substitute a halo in the molecule CC(C)(O)c1nn(-c2ccc(F)cc2F)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)c1Cl with a nitrile.,CC(C)(O)c1nn(-c2ccc(C#N)cc2F)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)c1Cl
DelComponent,Please remove a amine from the molecule COc1cc2c(c(N)c1O)CCC2=O.,COc1cc2c(cc1O)CCC2=O
LogP,Modify the molecule [NH3+]Cc1cn(CC(=O)NN2CCOCC2)nn1 to have a lower LogP value.,[NH3+]Cc1cn(CC(=O)NN2CCOC(O)C2)nn1
MR,Modify the molecule CC(O)C=CC1OC2CC(=O)OC2C1OCc1ccccc1 to increase its MR value.,CC(C#N)C=CC1OC2CC(=O)OC2C1OCc1ccccc1
QED,Please modify the molecule CC(Br)(Cc1ccco1)C(=O)[S-] to increase its QED value.,CC(C#N)(Cc1ccco1)C(=O)[S-]
AtomNum,"There is a molecule composed of 18 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 fluorine atom.",CCOC(=O)c1ccccc1Nc1nncc(Nc2cccc(F)c2)n1
BondNum,"The molecule contains 23 single bonds, 2 double bonds, 8 rotatable bonds, and 23 aromatic bonds.",COc1ccc(CCn2cnc3cc(NC(NC4CC5CC(C4C)C5(C)C)=[NH+]Cc4ccccn4)ccc3c2=O)c(F)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 amine group, and 2 halo groups.",COC1CCN(C(=O)c2c(F)ccc(N)c2F)CC1
AddComponent,Please add a aldehyde to the molecule O=C([O-])c1cc(Cl)cc(NS(=O)(=O)N2CCCC2)c1.,O=CCc1c(Cl)cc(NS(=O)(=O)N2CCCC2)cc1C(=O)[O-]
SubComponent,Substitute a nitrile in the molecule Cc1ccc(C#N)c(N(C)CC2CC[NH2+]CC2)c1 with a halo.,Cc1ccc(Br)c(N(C)CC2CC[NH2+]CC2)c1
DelComponent,Modify the molecule amine by removing a [NH3+]Cc1csc(NC2CCCC2)n1.,[NH3+]Cc1csc(C2CCCC2)n1
LogP,Optimize the molecule Cc1ccc(CCCC(=O)Nc2n[nH]c(CO)n2)s1 to have a higher LogP value.,Cc1ccc(CCCC(=O)Nc2n[nH]c(CS)n2)s1
MR,Please optimize the molecule COc1cccc(C2C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)c1 to have a higher MR value.,CC(=O)c1ccc2c(c1)C(c1cccc(OC)c1)C(=O)N2Cc1ccccc1
QED,Optimize the molecule COCCC1(C[NH2+]C2CCc3c(F)cccc32)CC1 to have a lower QED value.,COCCC1(C[NH2+]C2CCc3ccccc32)CC1
AtomNum,"There is a molecule with 24 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CCOc1ccc(COc2ccc(NC(=O)C(C)n3ccc(C)n3)cc2)cc1OCC
BondNum,"There is a molecule composed of 19 single bonds, 7 rotatable bonds, and 23 aromatic bonds.",CC1(C)OC2OC(c3nnc(-c4ccc(Cl)cc4)n3Cc3ccccc3)C(OCc3ccccc3)C2O1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",COc1ccc(C)cc1NC(=O)c1cnn(C(C)C(=O)[O-])c1
AddComponent,Add a benzene ring to the molecule CCC([NH3+])C(=O)Nc1ccc(Br)cc1C(=O)[O-].,CCC([NH3+])C(=O)Nc1ccc(Br)c(-c2ccccc2)c1C(=O)[O-]
SubComponent,Please substitute a O=C(c1ccc(COc2ccccc2Br)cc1)N1N=C(C(F)F)CC1(O)C(F)F in the molecule hydroxyl with a nitro.,ONC1(C(F)F)CC(C(F)F)=NN1C(=O)c1ccc(COc2ccccc2Br)cc1
DelComponent,Modify the molecule benzene ring by removing a CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)N(C(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc2cn[nH]c2c1.,CC(OOc1ncc(C(F)(F)F)cc1Cl)C(=O)N(C(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc2cn[nH]c2c1
LogP,Optimize the molecule O=c1cc(-c2cccc(OC(F)(F)F)c2)[nH]c2ccc(N3C=CCC3)cc12 to have a lower LogP value.,O=c1cc(-c2cccc(OC(F)F)c2)[nH]c2ccc(N3C=CCC3)cc12
MR,Modify the molecule C=C(C)C(=O)NCCc1nc2ccccc2n1CC(=O)OC to have a lower MR value.,CCCCc1nc2ccccc2n1CC(=O)OC
QED,Please modify the molecule COC(=O)c1cc(NC(=O)c2ccnc(NC(C)=O)c2)cc(C(=O)OC)c1 to decrease its QED value.,COC(=O)c1cc(NC(=O)c2ccnc(NC(C)=O)c2)cc(C(=O)OCO)c1
AtomNum,"There is a molecule with 15 carbon atoms, 4 nitrogen atoms, and 1 fluorine atom.",CCCCCCn1nnc(C[NH3+])c1-c1cccc(F)c1
BondNum,"The molecule contains 9 single bonds, 2 double bonds, 6 rotatable bonds, and 22 aromatic bonds.",CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccccc3)c(Nc3ccccc3)c21
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",Cc1cc(S(=O)(=O)NCC(=O)N2CCc3ccccc3C2)ccc1F
AddComponent,Modify the molecule CCOc1cc(C=C2SC(=[NH+]C(C)C)N(C(C)C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 by adding a benzene ring.,CCOc1cc(C=C2SC(=[NH+]C(C)C)N(C(C)Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1
SubComponent,Substitute a halo in the molecule O=C(NC(c1cc2ccccc2s1)C(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCC[NH+]5CCCCC5)cc4)cnc23)cs1 with a aldehyde.,CC(=O)C(F)(F)C(NC(=O)c1cc(-c2cnn3cc(-c4ccc(OCC[NH+]5CCCCC5)cc4)cnc23)cs1)c1cc2ccccc2s1
DelComponent,Modify the molecule CCOC(=O)C1(c2ccccc2)CCC=CC1OC(C)=O by removing a benzene ring.,CCOC(=O)C1CCC=CC1OC(C)=O
LogP,Modify the molecule C=CCC(O)C(O[Si](C)(C)C(C)(C)C)C(OCOC)C(CCCC)OCOC to have a higher LogP value.,C=CCCC(O[Si](C)(C)C(C)(C)C)C(OCOC)C(CCCC)OCOC
MR,Optimize the molecule CC1COc2ccccc2C1(C#N)N1CCCCC1 to have a higher MR value.,CC(=O)C1(N2CCCCC2)c2ccccc2OCC1C
QED,Please modify the molecule CCCNC(=O)CN(CCc1ccccc1F)C(C)=O to decrease its QED value.,CCCNC(=O)CN(CCc1ccccc1F)C(=O)CO
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCOc1cc(NCc2ccc(C)s2)cc([N+](=O)[O-])c1
BondNum,"There is a molecule with 11 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCOc1ccccc1-c1cc(CO)nn1CC[NH+](C)C
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,C[NH+](C)CCCOc1cnc(-c2cccc(Cn3c(=O)oc4ccc(OC(=O)[O-])cc43)c2)nc1
AddComponent,Please add a amine to the molecule CCOCCOC(=O)NC(Cc1ccccc1)C(O)CC1(Cc2ccccc2)[NH2+]C=C(C2c3ccccc3C3NC(=O)OC32)C1=O.,CCOCCOC(=O)NC(Cc1ccccc1)C(O)CC1(C(N)c2ccccc2)[NH2+]C=C(C2c3ccccc3C3NC(=O)OC32)C1=O
SubComponent,Substitute a hydroxyl in the molecule O=C1COC(c2ccc(NC(=O)NCc3ccccc3)cc2)C(CO)N1 with a nitrile.,N#CCC1NC(=O)COC1c1ccc(NC(=O)NCc2ccccc2)cc1
DelComponent,Remove a amide from the molecule O=C(C[NH+]1CCn2ncnc2C1)Nc1ccc2c(c1)OC1(CCCC1)O2.,c1nc2n(n1)CC[NH+](c1ccc3c(c1)OC1(CCCC1)O3)C2
LogP,Optimize the molecule Cc1nn(Cc2ccc(CC(=O)OCc3ccc(Cl)c(Cl)c3)cc2)c(C)c1CC(=O)[O-] to have a higher LogP value.,Cc1nn(Cc2ccc(CC(=O)OC(CC=O)c3ccc(Cl)c(Cl)c3)cc2)c(C)c1CC(=O)[O-]
MR,Modify the molecule CC(C(=O)OC(C)(C)C)N(CCc1ccccc1)C(=O)C1CN(c2ccc(C(N)=[NH2+])cc2)C(=O)O1 to decrease its MR value.,CCN(C(=O)C1CN(c2ccc(C(N)=[NH2+])cc2)C(=O)O1)C(C)C(=O)OC(C)(C)C
QED,Modify the molecule CC(OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] to have a lower QED value.,CC(OC(=O)c1cc(S)c[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-]
AtomNum,"There is a molecule composed of 16 carbon atoms, 7 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",Nc1ncc(-c2nc3sc(NC4CCC([NH3+])CC4)nn3c2Cl)cc1C(F)(F)F
BondNum,"The molecule consists of 14 single bonds, 1 triple bond, 4 rotatable bonds, and 18 aromatic bonds.",Cc1nc(NCc2ccccn2)nc(N)c1C#CC(C)(C)c1ccc(C(F)(F)F)cc1
FunctionalGroup,"The molecule contains 2 amide groups, 1 amine group, and 2 halo groups.",Nc1cnn(CCN2C(=O)c3cc(F)c(F)cc3C2=O)c1
AddComponent,Please add a aldehyde to the molecule C[NH+]1CCC23C4=C5CCC(OC6OC(C(=O)[O-])C(O)C(O)C6O)=C4OC2C(O)C=CC3C1C5.,C[NH+]1CCC23C4=C5CCC(OC6OC(C(=O)[O-])C(O)C(O)C6O)=C4OC2C(O)C(CC=O)=CC3C1C5
SubComponent,Substitute a halo in the molecule NC(=S)c1ccc2c(ccn2Cc2cc(F)cc(F)c2)c1 with a thiol.,NC(=S)c1ccc2c(ccn2Cc2cc(F)cc(S)c2)c1
DelComponent,Remove a CCC1(C(O)c2cncnc2)CC1 from the molecule hydroxyl.,CCC1(Cc2cncnc2)CC1
LogP,Please optimize the molecule CCOc1cccc(NC(=O)CNc2ccc(NC(=O)CC)cc2)c1 to have a higher LogP value.,CCOc1cccc(NC(=O)Cc2ccc(NC(=O)CC)cc2)c1
MR,Modify the molecule CCOc1csc2c(CO)c(Br)ccc12 to have a higher MR value.,CCOc1csc2c(CNO)c(Br)ccc12
QED,Modify the molecule COc1ccc(CN(C)C(=O)c2ccc(OC)c(Br)c2)c(OC)c1 to have a higher QED value.,COc1ccc(C(=O)N(C)Cc2ccc(OC)cc2OC)cc1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CC(C)C(CNC(=O)Cn1nnc2ccccc21)[NH+]1CCOCC1
BondNum,"The molecule has 10 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC(C)(O)C(C)(CC=Cc1ccccc1)OB=O
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 1 amide group.",Cc1cccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1
AddComponent,Add a benzene ring to the molecule CCc1[nH+]ccn1-c1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C([NH3+])O)cc2C)cc1.,CCc1[nH+]ccn1-c1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C([NH3+])O)cc2C)c(-c2ccccc2)c1
SubComponent,Substitute a halo in the molecule Cc1csc(-c2ocnc2C[NH3+])c1Cl with a aldehyde.,CC(=O)c1c(C)csc1-c1ocnc1C[NH3+]
DelComponent,Modify the molecule halo by removing a COc1ccc2[nH]c(I)c(CC[NH3+])c2c1.,COc1ccc2[nH]cc(CC[NH3+])c2c1
LogP,Modify the molecule O=c1nc(-c2ccc(Br)s2)[nH]c(-c2ccccc2)c1I to have a lower LogP value.,CC(=O)c1ccc(-c2nc(=O)c(I)c(-c3ccccc3)[nH]2)s1
MR,Please modify the molecule COC(=O)C(CNC(=O)NC1CC1)Cc1ccc(F)cc1 to decrease its MR value.,COC(=O)C(CF)CNC(=O)NC1CC1
QED,Please modify the molecule O=C1CN(CCCC[NH+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)C(=O)S1 to increase its QED value.,O=C1CN(CCCC[NH+]2CCc3c(c4cc(F)ccc4n3F)C2)C(=O)S1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CNC(=O)c1sc2ncccc2c1C1C[NH+](Cc2cnc(C)s2)CCO1
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CCNC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 2 thioether groups, and 2 sulfide groups.",C=CCn1c(C)nnc1SCC(=O)Nc1cccc(SC)c1
AddComponent,Please add a hydroxyl to the molecule CCCCOC(=O)c1ccc(NC(C)=O)cc1.,CC(=O)Nc1ccc(C(=O)OCCCCO)cc1
SubComponent,Please substitute a halo in the molecule C=CCC([NH3+])c1cc(Br)oc1C with a thiol.,C=CCC([NH3+])c1cc(S)oc1C
DelComponent,Remove a amide from the molecule Cc1ccc(N)cc1S(=O)(=O)NCC(=O)NCC(C)C.,Cc1ccc(N)cc1S(=O)(=O)NCC(C)C
LogP,Modify the molecule O=C(NC1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1)C1CCCO1 to decrease its LogP value.,O=C(O)c1cc(F)c(Cl)cc1NC(=O)N1CCCC(NC(=O)C2CCCO2)C1
MR,Please modify the molecule O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc(I)ccc1Cl to decrease its MR value.,O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cc(I)ccc1Cl
QED,Please modify the molecule CC1(NC(=O)CCc2cccc(N)c2)CCOC1 to decrease its QED value.,CC1(Cc2cccc(N)c2)CCOC1
AtomNum,"There is a molecule composed of 14 carbon atoms, and 3 nitrogen atoms.",CCC1CCCC1(C[NH3+])N1CCN(C)CC1C
BondNum,"Please generate a molecule with 11 single bonds, 6 rotatable bonds, and 17 aromatic bonds.",COC(C)N(Cc1cccnc1)c1nc(-c2c(C)cc(C)cc2C)ns1
FunctionalGroup,Please generate a molecule with and 1 ester group.,O=COC1c2ccccc2-c2cccc(C(=O)OCC3c4ccccc4-c4ccccc43)c21
AddComponent,Add a benzene ring to the molecule CCCC1(C(=O)CC(C)CC)CC[NH2+]CC1.,CCCC1(C(=O)CC(C)CC)CC[NH2+]C(c2ccccc2)C1
SubComponent,Substitute a halo in the molecule Cn1ccnc1C(NS(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 with a nitro.,Cn1ccnc1C(NS(=O)(=O)c1ccc(S(=O)(=O)C(F)NO)cc1)c1ccccc1
DelComponent,Modify the molecule COc1ccccc1NS(=O)(=O)c1ccc([O-])c(NC(=O)C(C)Oc2ccccc2)c1 by removing a amide.,COc1ccccc1NS(=O)(=O)c1ccc([O-])c(COc2ccccc2)c1
LogP,Modify the molecule CCC(C)C(NC(=O)c1ccccc1)C(=O)NC(CCCC[NH3+])C(=O)N1CCN(c2ccc3ncn(CC(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(Cc4cnc[nH]4)C(=O)NC(Cc4ccc(O)cc4)C(=O)NC)c(=O)c3c2)CC1 to have a higher LogP value.,CCC(C)C(NC(=O)c1ccccc1)C(=O)NC(CCCC[NH3+])C(=O)N1CCN(c2ccc3ncn(CC(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(Cc4cnc[nH]4)C(=O)NC(Cc4ccc(S)cc4)C(=O)NC)c(=O)c3c2)CC1
MR,Please optimize the molecule COCC[NH2+]Cc1ccn(-c2cccc(C)c2Br)n1 to have a lower MR value.,COCC[NH2+]Cc1ccn(-c2cccc(C)c2S)n1
QED,Modify the molecule CC(C)OP1OC(C)(c2ccccc2)C2CCCN21 to have a lower QED value.,CC(C)OP1OC(C)(c2cccc(-c3ccccc3)c2)C2CCCN21
AtomNum,"Please generate a molecule with 27 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)SC(=Cc2cc(C(C)C)c(OCC)cc2C)C1=O
BondNum,"There is a molecule composed of 2 single bonds, 1 rotatable bond, and 15 aromatic bonds.",Cc1cc(-n2cccn2)n2ncnc2n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, and 2 halo groups.",Cc1ccnc(-n2cc(N)c(-c3ccc(F)c(Br)c3)n2)c1
AddComponent,Add a hydroxyl to the molecule COc1ccc(NC(=O)N2CCC(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1.,COc1ccc(NC(=O)N2CCC(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1O
SubComponent,Please substitute a Cc1cccc(N)c1-c1nnnn1-c1ccccc1Cl in the molecule halo with a aldehyde.,CC(=O)c1ccccc1-n1nnnc1-c1c(C)cccc1N
DelComponent,Modify the molecule [N-]=[N+]=NCC1C(N)=[NH+]C(=O)N1Cc1ccccc1 by removing a benzene ring.,CN1C(=O)[NH+]=C(N)C1CN=[N+]=[N-]
LogP,Modify the molecule O=C(Nc1cncc(C(=O)[O-])c1)Nc1ccc(Cl)cc1I to decrease its LogP value.,ONc1ccc(NC(=O)Nc2cncc(C(=O)[O-])c2)c(I)c1
MR,Optimize the molecule CCC[NH+](C)CCC1CCCC1O to have a higher MR value.,CCC[NH+](C)CCC1CCCC1S
QED,Modify the molecule Cc1cc(NCc2ccc(F)c(F)c2)n2ncnc2n1 to have a lower QED value.,Cc1cc(NCc2ccc(O)c(F)c2)n2ncnc2n1
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCC(CC[NH3+])CCC[NH2+]C(C)c1ncc(C)s1
BondNum,"Please generate a molecule consisting 7 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",Cc1c(Br)cccc1-n1c(SCC(=O)[O-])n[nH]c1=O
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 1 sulfone group.",CCc1cccc(CC)c1NC(=O)CN(C(C)(C)C)S(C)(=O)=O
AddComponent,Add a hydroxyl to the molecule COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1.,COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2nc(-c3ccc(C)s3)c(O)s2)cc1
SubComponent,Substitute a hydroxyl in the molecule CC1CC(c2ccc(O)cc2)CCC1C(=O)[O-] with a nitrile.,CC1CC(c2ccc(C#N)cc2)CCC1C(=O)[O-]
DelComponent,Please remove a nitrile from the molecule CC1CCCC(C#N)(Cc2cnn(C)c2)C1.,CC1CCCC(Cc2cnn(C)c2)C1
LogP,Please modify the molecule CCOc1ccc2cc(C(CC)(CC)P(=O)([O-])[O-])c(I)nc2c1 to decrease its LogP value.,CCOc1ccc2cc(C(CC)(CC)P(=O)([O-])[O-])cnc2c1
MR,Modify the molecule CCC1C(O)C2C(CC(O)C3(C)C(C(C)CCNC(=O)NS(=O)(=O)N4CCCCC4)CCC23)C2(C)CCC(O)CC12 to increase its MR value.,CC(CCNC(=O)NS(=O)(=O)N1CCCCC1)C1CCC2C3C(O)C(C(C)c4ccccc4)C4CC(O)CCC4(C)C3CC(O)C12C
QED,Modify the molecule COc1ccc(-n2c(-c3ccc(C#N)cn3)nc3cc(OC(F)(F)F)ccc32)nn1 to have a lower QED value.,COc1ccc(-n2c(-c3ccc(C#N)cn3)nc3cc(OC(F)(F)NO)ccc32)nn1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(=O)Nc1ccc(Nc2nc(C(C)=O)cs2)cc1
BondNum,"There is a molecule consisting of 15 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",O=C(Nc1ccc(N2CCCC2)nc1)N(Cc1ccco1)C1CC1
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,c1ccc(-n2c3ccccc3c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc5cocc45)c32)cc1
AddComponent,Modify the molecule CCc1ccc(C2CCCN2S(=O)(=O)N2CCC(COC)C2)o1 by adding a carboxyl.,COCC1CCN(S(=O)(=O)N2CCCC2c2ccc(C(C)C(=O)O)o2)C1
SubComponent,Please substitute a hydroxyl in the molecule CSC1CCCC(NC(=O)C(C)O)C1 with a nitro.,CSC1CCCC(NC(=O)C(C)NO)C1
DelComponent,Modify the molecule amine by removing a COc1cccc(C[NH+](C)C(C)c2cccc(N)c2)c1.,COc1cccc(C[NH+](C)C(C)c2ccccc2)c1
LogP,Please modify the molecule CCNC(NC1CC2CCC1O2)=[NH+]CCC[NH+]1CCCCC1C to decrease its LogP value.,CCNC(NC1CC2CCC1O2)=[NH+]CC(O)C[NH+]1CCCCC1C
MR,Modify the molecule C=C(C)CN(CC)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 to increase its MR value.,C=C(C)CN(CC)C(=O)CNC(=O)c1ccc(C(=O)[OH])c(Cl)c1
QED,Modify the molecule Cc1cc2c(Nc3ccc(C)c(Cl)c3)nc(N)nc2s1 to have a lower QED value.,Cc1ccc(Nc2nc(N)nc3sc(C)c(-c4ccccc4)c23)cc1Cl
AtomNum,"Please generate a molecule composed of 33 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",CCOC1[NH2+]C2(CCCCCCCC2)CCC1C(=O)N1CCC(CCCCNC(=O)c2ccc3nccn3c2)CC1
BondNum,"The molecule is composed of 45 single bonds, 1 double bond, and 3 rotatable bonds.",CC(C)(C)C(=O)OC1CCC23CC24CCC2(C)C(C5(C)CCC(C(C)(C)O)O5)C(O)CC2(C)C4CC(O)C3C1(C)C
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, 1 ketone group, 1 amide group, and 1 amine group.",CC(=O)Nc1cc(N)c(O)c(C(C)=O)c1
AddComponent,Please add a amine to the molecule CS(=O)(=O)c1ccnc2c1c(Sc1cnsc1)c1n2CCCC1CC(=O)[O-].,NCS(=O)(=O)c1ccnc2c1c(Sc1cnsc1)c1n2CCCC1CC(=O)[O-]
SubComponent,Substitute a halo in the molecule NC(=[NH+]O)c1cc(F)ccc1C[NH2+]C1(CO)CCCC1 with a nitro.,NC(=[NH+]O)c1cc(NO)ccc1C[NH2+]C1(CO)CCCC1
DelComponent,Please remove a COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1N1CCCC1=O from the molecule amine.,COc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1N1CCCC1=O
LogP,Modify the molecule O=C(COc1ccc(F)cc1Cl)NNC(=O)C1CCCCC1 to decrease its LogP value.,O=C(COc1ccc(F)cc1)NNC(=O)C1CCCCC1
MR,Please modify the molecule CS(=O)(=O)c1ccc(C(=O)CSC#N)cc1 to decrease its MR value.,CS(=O)(=O)C(=O)CSC#N
QED,Modify the molecule CCC(C)(C)N(C)c1ccc(C(N)=[NH2+])cc1Cl to have a higher QED value.,CCC(C)(C)N(C)c1ccc(C=[NH2+])cc1Cl
AtomNum,"The molecule is composed of 16 carbon atoms, 1 oxygen atom, and 1 silicon atom.",C#CCCC1(CCC=C)CCC=C1O[Si](C)(C)C
BondNum,"The molecule contains 8 single bonds, 2 double bonds, 3 rotatable bonds, and 17 aromatic bonds.",O=C1CC[NH+](Cc2ccccc2)C=C1c1ccc2ccccc2c1
FunctionalGroup,The molecule contains and 4 halo groups.,Cl[Ru](Cl)=C=[Ru](Cl)Cl
AddComponent,Add a amine to the molecule CC(C)(C)OC(=O)N1CCC(CCC(=O)C(F)(F)F)CC1.,CC(C)(C)OC(=O)N1CCC(CC(N)C(=O)C(F)(F)F)CC1
SubComponent,Please substitute a halo in the molecule COc1cccc(F)c1C(=O)NC(CC(=O)[O-])C1CC1 with a thiol.,COc1cccc(S)c1C(=O)NC(CC(=O)[O-])C1CC1
DelComponent,Modify the molecule benzene ring by removing a O=C(c1cccc(-c2ccccc2)c1)N1CCCCCC1.,O=C(c1ccccc1)N1CCCCCC1
LogP,Please modify the molecule COC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2I)CC1 to decrease its LogP value.,COC(=O)C1CCN(C(=O)CNC(=O)I)CC1
MR,Please modify the molecule C[NH+]1CCC2(CCN(C(=O)C3(O)CCC3)C2)C1 to decrease its MR value.,C[NH+]1CCC2(CCOC3CC3C2)C1
QED,Please optimize the molecule CCCC(NC(=O)C1CC2(CC(c3cccc(Cl)c3)=NO2)CN1C(=O)C(NC(=O)CC1CCCCC1)C(C)(C)C)C(=O)C(=O)N1CCCC1OC to have a lower QED value.,CCCC(NC(=O)C1CC2(CC(c3cccc(NO)c3)=NO2)CN1C(=O)C(NC(=O)CC1CCCCC1)C(C)(C)C)C(=O)C(=O)N1CCCC1OC
AtomNum,"Please generate a molecule with 50 carbon atoms, and 1 sulfur atom.",c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)c4ccccc4c4c6cc7ccccc7cc6sc54)cc3)c3ccccc23)cc1
BondNum,"There is a molecule composed of 19 single bonds, 3 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",COc1ccc(N2CCN(C(Nc3nc(C)cc(C)n3)=[NH+]C(=S)Nc3ccc(C(C)=O)cc3)CC2)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 halo group, 1 sulfide group, and 1 sulfone group.",O=C([O-])CCc1cn(S(=O)(=O)c2ccc(-c3ccc(F)cc3)s2)c2ccccc12
AddComponent,Add a benzene ring to the molecule OC1CC=C(c2ccc(Br)cc2)CC1.,OC1CCC(c2ccc(Br)cc2)=CC1c1ccccc1
SubComponent,Substitute a halo in the molecule CC(=Cc1c[nH]c2ccc(F)cc12)[N+](=O)[O-] with a carboxyl.,CC(=Cc1c[nH]c2ccc(C(=O)[OH])cc12)[N+](=O)[O-]
DelComponent,Please remove a benzene ring from the molecule CCN(C(C)=O)C(C)(Cc1cccc(F)c1)C(=O)[O-].,CCN(C(C)=O)C(C)(CF)C(=O)[O-]
LogP,Modify the molecule OCCn1ncc2c1CCCC2[NH2+]Cc1cccc(Br)n1 to have a lower LogP value.,O=C([OH])c1cccc(C[NH2+]C2CCCc3c2cnn3CCO)n1
MR,Modify the molecule C#CCN(CC1CC1)C(=O)C1(C)CCCCC1 to have a lower MR value.,C#CCC(CC1CCCC1)C1CC1
QED,Modify the molecule CCOc1cc2nc(CC[NH3+])nc(Cl)c2cc1OCC to have a lower QED value.,CCOc1cc2nc(CC[NH3+])nc(Cl)c2cc1OCCc1ccccc1
AtomNum,"There is a molecule composed of 15 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",N#Cc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1
BondNum,"Please generate a molecule with 24 single bonds, 1 double bond, and 3 rotatable bonds.",CCOCC1CC2CCC=CC2C2CCC3(C)CCCC3C12
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 1 hydroxyl group.",Oc1ccc(-n2nccc2-c2ccccc2)cc1
AddComponent,Please add a nitrile to the molecule Cc1c(C(F)(F)F)[nH]c2c(C)ccc(Br)c2c1=O.,Cc1c(C(F)(F)F)[nH]c2c(C)c(C#N)cc(Br)c2c1=O
SubComponent,Modify the molecule halo by substituting a N#Cc1ccc(OCC(=O)N2CCCC2)c(F)c1 with a thiol.,N#Cc1ccc(OCC(=O)N2CCCC2)c(S)c1
DelComponent,Please remove a halo from the molecule Nc1ccc(C(=O)[O-])c2scc(Br)c12.,Nc1ccc(C(=O)[O-])c2sccc12
LogP,Modify the molecule CSc1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c1 to have a lower LogP value.,CSc1ccc(S)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c1
MR,Modify the molecule CC(C)(C)CCC(=O)CCC1CC[NH2+]C1 to have a higher MR value.,CC(C)(CO)CCC(=O)CCC1CC[NH2+]C1
QED,Optimize the molecule CC(C)n1c(CCCCCl)nc2c(F)cccc21 to have a lower QED value.,CC(C)n1c(C(CCCCl)c2ccccc2)nc2c(F)cccc21
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CN(C)c1ccc2nc(C(C)(O)C(N)=[NH2+])oc2c1
BondNum,"Please generate a molecule with 20 single bonds, 2 double bonds, and 12 rotatable bonds.",CCCCC(CC)(CC(=O)OCC(C)C)CC(=O)OCC(C)C
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, 2 halo groups, and 1 sulfone group.",Cc1ccc2c(Cl)cc(S(=O)(=O)Nc3ccc(Cl)cc3)c([O-])c2n1
AddComponent,Modify the molecule CCCOc1cccc(N)n1 by adding a benzene ring.,Nc1cccc(OCCCc2ccccc2)n1
SubComponent,Substitute a halo in the molecule CC(N(C)c1c(F)cc(N)cc1F)C(C)(C)C with a carboxyl.,CC(N(C)c1c(F)cc(N)cc1C(=O)[OH])C(C)(C)C
DelComponent,Remove a CN(C)c1nc(N)nc(-c2ccnn2-c2ccccc2)n1 from the molecule amine.,CN(C)c1ncnc(-c2ccnn2-c2ccccc2)n1
LogP,Modify the molecule CCC(O)c1ccc(N2CC(C)CC(C)C2)cn1 to increase its LogP value.,CCC(I)c1ccc(N2CC(C)CC(C)C2)cn1
MR,Please modify the molecule CCC1CNC(c2[nH]c(-c3ccc(Br)cc3)c[nH+]2)C1 to decrease its MR value.,CCC1CNC(c2[nH]c(-c3ccc(C(=O)[OH])cc3)c[nH+]2)C1
QED,Optimize the molecule CN(CC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1nc2ccccc2s1 to have a higher QED value.,CN(CC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",C[NH+]=C(NCCNC(=O)c1ccccc1Cl)NC(C)c1ccccc1
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, 5 rotatable bonds, and 23 aromatic bonds.",COC(=O)c1ccc(-c2nnc(Nc3ccc(C(=O)N4CCCCC4)cc3)c3ccccc23)cc1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, and 1 halo group.",CN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccccc1F
AddComponent,Modify the molecule Cc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)N3CCCC3)c2)CC1 by adding a hydroxyl.,Cc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1(O)CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)N3CCCC3)c2)CC1
SubComponent,Substitute a hydroxyl in the molecule CC(C)C(C)(C)C(C)C(OP(O)O)O[P+](=O)O with a nitrile.,CC(C)C(C)(C)C(C)C(OP(O)C#N)O[P+](=O)O
DelComponent,Modify the molecule COc1cccc(C(=O)Nc2cccc(NC(=O)C(C)NC(=O)C3CC[NH+](CC(=O)Nc4ccc(C(=O)NCc5ccc(F)cc5)cc4C)CC3)c2)c1 by removing a benzene ring.,COc1cccc(C(=O)Nc2cccc(NC(=O)C(C)NC(=O)C3CC[NH+](CC(=O)Nc4ccc(C(=O)NCF)cc4C)CC3)c2)c1
LogP,Optimize the molecule OCCC1CC2CCC1(CCO)C2 to have a higher LogP value.,CC(=O)CCC1CC2CCC1(CCO)C2
MR,Optimize the molecule Cc1ccc(S(=O)(=O)ON=C2C(Cl)=C(C(C)C)C(=O)C(Cl)(C(C)C)C2Cl)cc1 to have a lower MR value.,CC(C)C1=C(Cl)C(=NOS(C)(=O)=O)C(Cl)C(Cl)(C(C)C)C1=O
QED,Please optimize the molecule CCc1ccc(N(c2ccc(OC(C)(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OC(C)(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1 to have a higher QED value.,CCc1ccc(N(c2ccc(OC(C)(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(CC)c7ccc(OC(C)(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1
AtomNum,"There is a molecule with 11 carbon atoms, and 5 nitrogen atoms.",CC(C)(C)n1nnnc1-c1ccc(N)cc1
BondNum,"The molecule is composed of 5 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",C(=Cc1ccccc1)CSC=Cc1ccccc1
FunctionalGroup,Please generate a molecule composed of and 2 amine groups.,NC(=S)c1cccnc1Nc1cccc2c1CCCC2
AddComponent,Please add a hydroxyl to the molecule CCC(NC(=O)c1cc(F)c(N)c(F)c1)C1CCCCC1.,CCC(NC(=O)c1cc(F)c(N)c(F)c1O)C1CCCCC1
SubComponent,Substitute a halo in the molecule Cc1ccc(C(C=O)Sc2ccc(F)cc2)cc1 with a nitro.,Cc1ccc(C(C=O)Sc2ccc(NO)cc2)cc1
DelComponent,Remove a amine from the molecule O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1cnc2ccccc2n1.,O=C(NCCc1ccc(Nc2ccncc2)nn1)c1cnc2ccccc2n1
LogP,Please modify the molecule CCN(CC)c1cc(OC)c2c(c1)C(CC#N)NCC2 to increase its LogP value.,CCN(CC)c1cc(OC)c2c(c1)C(C)NCC2
MR,Please modify the molecule CC(=O)C1C(=O)CC(C)(C(=O)Nc2ccc3nc(SCCC(F)(F)F)sc3c2)CC1=O to increase its MR value.,CC1(C(=O)Nc2ccc3nc(SCCC(F)(F)F)sc3c2)CC(=O)C(C(=O)CO)C(=O)C1
QED,Optimize the molecule Cc1c(C#N)c(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c(C)c(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c1C#N to have a higher QED value.,Cc1c(C#N)c(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c(C)c(-n2c3ccc(O)cc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c1C#N
AtomNum,"The molecule consists of 13 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCOC(=O)C(C=Nc1ccc(CO)nc1)C(C)=O
BondNum,"The molecule is composed of 13 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",[NH3+]C1C2CCC(C2)C1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",COc1ccc(NC(=O)Nc2cccc3c2OC(CN(C)C(=O)NC2CCCCC2)C(C)CN(C(C)CO)C3=O)cc1
AddComponent,Please add a carboxyl to the molecule CC1(C)C(=O)N(CCCCCCCCCCCCN2C(=O)C(C)(C)C2=O)C1=O.,CC1(C)C(=O)N(CCCCCCCCCCCC(C(=O)O)N2C(=O)C(C)(C)C2=O)C1=O
SubComponent,Please substitute a halo in the molecule COc1ccc(OC2OC(COCc3ccccc3)C(OC(=O)CCl)C(OCc3ccccc3)C2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 with a nitrile.,COc1ccc(OC2OC(COCc3ccccc3)C(OC(=O)CC#N)C(OCc3ccccc3)C2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
DelComponent,Please remove a halo from the molecule Cc1ccccc1NC(=O)C(C)NC(=O)c1ccccc1Br.,Cc1ccccc1NC(=O)C(C)NC(=O)c1ccccc1
LogP,Optimize the molecule Cc1[nH]c(SC(F)F)nc(=O)c1CCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 to have a lower LogP value.,Cc1[nH]c(SC(F)F)nc(=O)c1CCC(=O)N1CCN(S(=O)(=O)F)CC1
MR,Modify the molecule O=C(c1cnccn1)c1cc(Br)c(Br)s1 to decrease its MR value.,O=C(c1cnccn1)c1ccc(Br)s1
QED,Modify the molecule COCCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1ccncc1)CC2 to decrease its QED value.,COCCNC(=O)C(C)(C)C1CC[NH+](Cc2ccncc2)C1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1cc(C)cc(OCCc2ncc(CO)s2)c1
BondNum,"There is a molecule with 20 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",C=C1CCC(Cc2ccc(CC3CCC(Cc4ccc(CC)cc4)CC3)cc2)CC1
FunctionalGroup,"The molecule is composed of 2 thioether groups, and 3 sulfide groups.",Cc1sc2nc(CSC3=Nc4ccccc4CS3)[nH]c(=O)c2c1C
AddComponent,Modify the molecule CC1CCCC(C)[NH+]1CCCC(N)=O by adding a amine.,CC1CCC(N)C(C)[NH+]1CCCC(N)=O
SubComponent,Modify the molecule halo by substituting a FN(F)C(F)(C(F)(F)F)C(F)(F)OC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OC(F)(F)C(F)(N(F)F)C(F)(F)F)(C3(F)F)C2(F)F with a thiol.,FN(F)C(F)(C(F)(F)F)C(F)(F)OC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OC(F)(F)C(F)(N(F)S)C(F)(F)F)(C3(F)F)C2(F)F
DelComponent,Modify the molecule benzene ring by removing a CCOC(=O)N1CCN(c2cnnc(Nc3cc(Cl)ccc3OC)n2)CC1.,CCOC(=O)N1CCN(c2cnnc(N(Cl)OC)n2)CC1
LogP,Please modify the molecule Cc1ccnc(Sc2cccc(Br)c2C#N)n1 to decrease its LogP value.,Cc1ccnc([SH](Br)C#N)n1
MR,Modify the molecule O=C(CBr)Cc1c(C(F)F)cccc1[N+](=O)[O-] to increase its MR value.,O=C(CBr)Cc1c([N+](=O)[O-])cccc1C(F)(F)C(=O)O
QED,Please optimize the molecule C[NH2+]C(=C(SN)C(=O)NCc1c(Cl)cccc1C#N)C1CC1 to have a lower QED value.,C[NH2+]C(=C(SN)C(=O)NCc1c(Cl)cccc1I)C1CC1
AtomNum,"The molecule contains 14 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC([NH3+])C1CCCN(C(=O)CC2C=CCC2)C1
BondNum,"There is a molecule consisting of 4 single bonds, 1 rotatable bond, and 5 aromatic bonds.",CCc1nsc(C)c1Br
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, 1 nitro group, 1 halo group, and 1 sulfone group.",Cc1cc(Cl)cc(S(N)(=O)=O)c1[N+](=O)[O-]
AddComponent,Modify the molecule C=C(COC1CCCC(OCc2nc(-c3cccc(C)c3)oc2C)C1)C(=O)OCC by adding a benzene ring.,C=C(COC1CCCC(OCc2nc(-c3cccc(C)c3)oc2Cc2ccccc2)C1)C(=O)OCC
SubComponent,Modify the molecule CC(C)(C)C(NC(=O)[O-])C1CCC(CN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)CC1 by substituting a halo with a hydroxyl.,CC(C)(C)C(NC(=O)[O-])C1CCC(CN2C(=O)c3cccc(NC(=O)c4ccc(O)s4)c3C2=O)CC1
DelComponent,Please remove a halo from the molecule C[NH2+]C(C)(CC(N)=O)c1cccc(OC(F)F)c1.,C[NH2+]C(C)(CC(N)=O)c1cccc(OCF)c1
LogP,Optimize the molecule COc1cccc(Oc2cnc(CC3CCC[NH2+]C3)nc2)c1 to have a higher LogP value.,COc1cccc(Oc2cnc(CC3C[NH2+]CC(c4ccccc4)C3)nc2)c1
MR,Modify the molecule Cc1ccccc1CC(Cc1ccc(Cl)s1)C(=O)[O-] to have a lower MR value.,CCC(Cc1ccc(Cl)s1)C(=O)[O-]
QED,Modify the molecule N#Cc1ccc(NC(=O)NCC2(CO)CCCCC2)cc1 to have a higher QED value.,N#CCC1(CNC(=O)Nc2ccc(C#N)cc2)CCCCC1
AtomNum,"The molecule is composed of 10 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, and 2 chlorine atoms.",O=C1CC(Cl)(Cl)SN1Cc1ccccc1
BondNum,"The molecule contains 4 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(-c2ccccc2)c1S(=O)[O-]
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",O=C1c2ccccc2CCCN1COCc1ccccc1
AddComponent,Add a benzene ring to the molecule COc1cccc(C[NH+]2CCc3nc(N4CCC(C)CC4)nc(Oc4ccccc4F)c3C2)c1O.,COc1cccc(C[NH+]2CCc3nc(N4CCC(C)C(c5ccccc5)C4)nc(Oc4ccccc4F)c3C2)c1O
SubComponent,Please substitute a Cc1cccc(NC(=O)CN(C)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1C in the molecule nitro with a thiol.,Cc1cccc(NC(=O)CN(C)c2ccc(S(=O)(=O)C(F)(F)F)cc2[SH]=O)c1C
DelComponent,Remove a nitrile from the molecule C=C1CN(S(=O)(=O)c2cccc(-c3ccc(C#N)cc3)n2)CC[NH2+]1.,C=C1CN(S(=O)(=O)c2cccc(-c3ccccc3)n2)CC[NH2+]1
LogP,Modify the molecule CC[NH+](CC(=O)[O-])C1CC(NC(=O)c2ccc(N3CC(C)OC(C)C3)nc2)C1 to decrease its LogP value.,CC[NH+](CC(=O)[O-])C1CC(NC(=O)c2ccc(N3CC(C)OC(C)(CC=O)C3)nc2)C1
MR,Optimize the molecule Cc1cc(C)c(C#N)c(NC2CC=CCC2)n1 to have a higher MR value.,Cc1cc(C)c(C#N)c(NC2CCC=C(O)C2)n1
QED,Optimize the molecule CCCC1(C(=O)[O-])CCC[NH+](Cc2cc(Cl)ccc2Br)C1 to have a lower QED value.,CC(=O)c1ccc(Br)c(C[NH+]2CCCC(CCC)(C(=O)[O-])C2)c1
AtomNum,"Please generate a molecule consisting 28 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 fluorine atoms.",O=C(NC1CCCN(C(=O)C=Cc2cccc(OCc3ccccc3)c2)C1)c1ccc(F)c(F)c1
BondNum,"There is a molecule with 23 single bonds, 3 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)Oc1cccc(C(=O)NCC2CC[NH+](CCNS(=O)(=O)C3CC3)CC2)c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 2 amide groups, and 1 halo group.",CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(CC)Oc2ccccc2)c1
AddComponent,Modify the molecule CC(C)c1ccc(C(=O)N(C)C2CCC[NH2+]CC2)cc1 by adding a nitrile.,CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCC[NH2+]CC1
SubComponent,Substitute a CNc1cc(-c2cc(Cl)c([N+](=O)[O-])c(=O)n2CC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 in the molecule halo with a carboxyl.,CNc1cc(-c2cc(C(=O)[OH])c([N+](=O)[O-])c(=O)n2CC(=O)OC(C)(C)C)cc(C(F)(F)F)c1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(C)c(C(=O)c2cn(CC[NH3+])nn2)c1.,CCC(=O)c1cn(CC[NH3+])nn1
LogP,Optimize the molecule CCC(Nc1cc(C)nc2c(-c3ccc(OC)cc3Cl)c(C)nn12)C(=O)OC to have a higher LogP value.,CCC(C(=O)OC)c1cc(C)nc2c(-c3ccc(OC)cc3Cl)c(C)nn12
MR,Optimize the molecule Cc1ccc(C2OCCCC2CNC(=O)N2CCOCC3(CCC3)C2)cc1 to have a higher MR value.,Cc1ccc(C2OCCCC2CNC(=O)N2CCOCC3(CCC3)C2)c(CC=O)c1
QED,Modify the molecule O=C1CCCC2=C1C(c1ccc(O)cc1)CC(=O)N2c1cc([N+](=O)[O-])ccc1Cl to decrease its QED value.,O=C1CCCC2=C1C(c1ccc(O)cc1)CC(=O)N2c1cc([N+](=O)[O-])cc(O)c1Cl
AtomNum,"There is a molecule composed of 28 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CN(C)S(=O)(=O)c1ccc(CCC[NH2+]CCNS(=O)(=O)c2cc(-c3ccccc3)cc3cnccc23)cc1
BondNum,"The molecule contains 13 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC1(CNC(=O)c2cc(F)ccc2N)CCCCC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, and 1 halo group.",COc1cc(F)ccc1C(N)=S
AddComponent,Modify the molecule [NH3+]CCCCC(O)C([NH3+])CCO by adding a benzene ring.,[NH3+]C(CCCC(O)C([NH3+])CCO)c1ccccc1
SubComponent,Substitute a COC(=O)c1ccc2sc(O)cc2c1CBr in the molecule halo with a nitrile.,COC(=O)c1ccc2sc(O)cc2c1CC#N
DelComponent,Remove a CCC[NH2+]CC(CC)c1cccc(C)c1 from the molecule benzene ring.,CCC[NH2+]CC(C)CC
LogP,Please optimize the molecule [NH3+]CCCC(=O)NCCc1cccnc1 to have a higher LogP value.,[NH3+]CCCCc1cccnc1
MR,Please modify the molecule CC(C)(C)[NH2+]Cc1cc(F)ccc1Sc1ccncn1 to increase its MR value.,CC(C)(C)[NH2+]Cc1cc(NO)ccc1Sc1ccncn1
QED,Modify the molecule CN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 to decrease its QED value.,CN(Cc1ccccc1C#N)C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
AtomNum,"There is a molecule consisting of 12 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCC1C2C[NH2+]CC2CN1S(=O)(=O)c1cc[nH]c1
BondNum,"There is a molecule consisting of 16 single bonds, 3 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",CC(=O)Nc1cc(C(=O)NCCCCCC(=O)[O-])cc(C(F)(F)F)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 4 halo groups, 1 thioether group, and 2 sulfide groups.",O=C(CSc1ccc(F)cc1)Nc1nnc(C(F)(F)F)s1
AddComponent,Modify the molecule CCOC(=O)N(CC[NH3+])C(=S)NCCCc1ccccc1 by adding a benzene ring.,CCOC(=O)N(CC[NH3+])C(=S)NCCC(c1ccccc1)c1ccccc1
SubComponent,Substitute a halo in the molecule CN(c1ccc(Cn2cc(CC(=O)[O-])c3ccccc32)cc1)c1ccc(F)cc1F with a aldehyde.,CC(=O)c1ccc(N(C)c2ccc(Cn3cc(CC(=O)[O-])c4ccccc43)cc2)c(F)c1
DelComponent,Modify the molecule CC(C)c1[nH]c(S(=O)(=O)NC2CCCC2(C)CO)c[nH+]1 by removing a hydroxyl.,CC(C)c1[nH]c(S(=O)(=O)NC2CCCC2(C)C)c[nH+]1
LogP,Modify the molecule CCOc1ccc(Nc2oc(-c3ccc(Br)cc3)nc2S(=O)(=O)c2ccc(F)cc2)cc1 to have a higher LogP value.,CCOc1ccc(Nc2oc(-c3ccc(Br)cc3-c3ccccc3)nc2S(=O)(=O)c2ccc(F)cc2)cc1
MR,Modify the molecule COc1ccc(CCn2c(Cc3cccc4ccccc34)nc3cc(Cl)ccc32)cc1OC to have a lower MR value.,COC(Cn1c(Cc2cccc3ccccc23)nc2cc(Cl)ccc21)OC
QED,Modify the molecule O=C(c1cnc(N2CCC3(CC2)OCCO3)nc1)N1CCOCC1 to have a lower QED value.,NC1CC2(CCN1c1ncc(C(=O)N3CCOCC3)cn1)OCCO2
AtomNum,"The molecule is composed of 11 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)C(CCSc1nnnn1C1CC1)[NH2+]C
BondNum,"There is a molecule consisting of 11 single bonds, 1 double bond, 1 triple bond, 2 rotatable bonds, and 5 aromatic bonds.",CN(Cc1cc(C#N)n(C)n1)C(=O)OC(C)(C)C
FunctionalGroup,"There is a molecule composed of 1 amide group, and 1 sulfoxide group.",CC1CN(C(=O)CCn2ncc(=O)c3ccccc32)CCS(=O)C1
AddComponent,Add a hydroxyl to the molecule Cc1c[n+]2c3ccccc3c(C#N)c(C)n2c1Br.,Cc1c[n+]2c3cccc(O)c3c(C#N)c(C)n2c1Br
SubComponent,Modify the molecule O=C1[NH+]([O-])C(Cl)C(Cl)CC1(Cl)CCl by substituting a halo with a aldehyde.,CC(=O)C1C(Cl)CC(Cl)(CCl)C(=O)[NH+]1[O-]
DelComponent,Modify the molecule Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(NC(=O)C3CCCCC3)ccc2Cl)CC1 by removing a amide.,Cc1cc(C(=O)NC2CCCCC2)ccc1[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(NC(=O)C3CCCCC3)ccc2Cl)CC1
LogP,Modify the molecule Cc1cc(NC(=O)c2ccccc2Br)ccc1O to decrease its LogP value.,Cc1cc(NC(=O)c2ccccc2C#N)ccc1O
MR,Please optimize the molecule CC(Nc1ccc(N)cc1)c1ccco1 to have a lower MR value.,CC(c1ccc(N)cc1)c1ccco1
QED,Modify the molecule BrCCCOCCOCCCCc1ccccc1 to have a lower QED value.,CCCCOCCOCCCBr
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 2 chlorine atoms.",C[NH+](CC(=O)NCc1ccccc1F)Cc1cc(Cl)cc(Cl)c1
BondNum,"The molecule is composed of 15 single bonds, and 9 rotatable bonds.",CCCCCCC(CN)[NH2+]CC1CC1C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 1 amide group, 2 thioether groups, and 1 sulfide group.",Cc1ccc(CNC(=O)C2CSC[NH2+]2)c(O)c1
AddComponent,Modify the molecule COC([Si])(CCCC1CC2C=CC1C2)OC by adding a benzene ring.,COC([Si])(CCCC1CC2C=CC1(c1ccccc1)C2)OC
SubComponent,Modify the molecule halo by substituting a CCOC(=O)CSCCCC(C)F with a thiol.,CCOC(=O)CSCCCC(C)S
DelComponent,Please remove a halo from the molecule CC(C)(C)C1CCC(O)C(OCC(F)(F)C(F)F)C1.,CC(C)(C)C1CCC(O)C(OCC(F)C(F)F)C1
LogP,Modify the molecule CCOC(C)C(O)Cc1cc(Cl)cc2c1OCC2 to decrease its LogP value.,CCOC(C)C(O)Cc1cc(C#N)cc2c1OCC2
MR,Please modify the molecule N#Cc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c(SCC2CO2)nc1=O to decrease its MR value.,N#Cc1c([N+](=O)[O-])[nH]c(SCC2CO2)nc1=O
QED,Optimize the molecule CCCCCC=CCC=CCCCCCCCCn1cc(CNC(=O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O[Si](C)(C)C(C)(C)C)C2OP(OCCC#N)N(C(C)C)C(C)C)nn1 to have a higher QED value.,CCCCCC=CCC=CCCCCCCCCn1cc(CNC(=O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O[Si](C)(C)C(C)(C)C)C2OP(OCC)N(C(C)C)C(C)C)nn1
AtomNum,"The molecule consists of 16 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1ccc(-c2cccc3c2OCCC3)cc1N
BondNum,"Please generate a molecule composed of 9 single bonds, 1 double bond, 1 triple bond, and 1 rotatable bond.",CN(C)C(=O)C1(C#N)COC1
FunctionalGroup,There is a molecule with and 4 benzene ring groups.,c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c23)cc1
AddComponent,Add a benzene ring to the molecule CC(C)c1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)C=C1.,CC(C)c1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3nc(c(-c4ccccc4-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)C=C1
SubComponent,Substitute a CC(C)C(CO)CN1CCCC(F)(F)C1 in the molecule halo with a thiol.,CC(C)C(CO)CN1CCCC(F)(S)C1
DelComponent,Remove a benzene ring from the molecule COc1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2c(C[NH+]3CCCC3)cccc2C(=O)[O-])cc1.,COS(=O)(=O)N(C(=O)OC(C)(C)C)c1c(C[NH+]2CCCC2)cccc1C(=O)[O-]
LogP,Modify the molecule CCN(C(=S)N1CCN(c2ncccn2)CC1)c1cccc(C)c1 to have a higher LogP value.,CCN(C(=S)N1CCN(c2ncccn2)CC1)c1cccc(C)c1-c1ccccc1
MR,Modify the molecule CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC to increase its MR value.,CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCC(CCCCCCCCCC)c1ccccc1
QED,Modify the molecule CCOC(=O)C1=Cc2cc(OC)ccc2OCC1c1ccc(OC)cc1 to have a lower QED value.,CCOC(=O)C1=Cc2cc(OC)cc(-c3ccccc3)c2OCC1c1ccc(OC)cc1
AtomNum,"Please generate a molecule with 8 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COCC([NH3+])C(=O)NC(C)CSC
BondNum,"There is a molecule composed of 29 single bonds, 5 double bonds, 12 rotatable bonds, and 18 aromatic bonds.",Cc1cc(C(=O)Nc2ccccc2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)C(C)C)CC1
FunctionalGroup,"There is a molecule with 1 ester group, and 1 amide group.",CCOC(=O)CCCNC(=O)C(NC(N)=O)C(C)CC
AddComponent,Please add a hydroxyl to the molecule CCC(C)COC(=O)OC(C)C(C)OC(=O)C([NH3+])Cc1ccc(OC(=O)C(C)C(C)C)c(OC(=O)C(C)C(C)C)c1.,CCC(C)COC(=O)OC(C)C(C)OC(=O)C([NH3+])C(O)c1ccc(OC(=O)C(C)C(C)C)c(OC(=O)C(C)C(C)C)c1
SubComponent,Modify the molecule CC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)c1 by substituting a halo with a carboxyl.,CC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)C(=O)[OH])ccc2OCC(F)(F)F)c1
DelComponent,Modify the molecule COC(=O)c1ccsc1NC(=O)C1CC1c1ccc(C(F)(F)F)cc1 by removing a halo.,COC(=O)c1ccsc1NC(=O)C1CC1c1ccc(C(F)F)cc1
LogP,Modify the molecule [NH3+]C(CCC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)[O-] to increase its LogP value.,[NH3+]C(CCC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)N1C(C(=O)NC(Cc2ccccc2)C(=O)[O-])CCC1c1ccccc1
MR,Modify the molecule Cc1cc(C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccccc1C(F)(F)F to increase its MR value.,Cc1cc(C(=O)Nc2cccc(S)c2Cl)c(C)n1-c1ccccc1C(F)(F)F
QED,Please optimize the molecule Cc1ccc(Sc2cc(N)nc(C3CC3)n2)cc1C to have a lower QED value.,Cc1ccc(Sc2ccnc(C3CC3)n2)cc1C
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",COc1cccc(-c2nccc3ccn(CC(=O)N4CCCN(C(C)=O)CC4)c23)c1
BondNum,"Please generate a molecule composed of 10 single bonds, 3 double bonds, 3 rotatable bonds, and 15 aromatic bonds.",Cc1nn(C2CCS(=O)(=O)C2)c(C)c1C=Cc1nc2ccccc2o1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 2 amine groups, and 2 sulfone groups.",CCCCCCCCCCCCCCCCOc1ccc(C(=O)[O-])cc1S(=O)(=O)N[NH+]=c1cc(-c2cccc(C)c2)n(C)c2ccc(S(=O)(=O)[O-])cc12
AddComponent,Please add a benzene ring to the molecule CCNC(=NCC(C)(C)[NH+]1CCCCC1)NC1CCN(c2cccs2)CC1.,CCNC(=NCC(C)(C)[NH+]1CCCCC1c1ccccc1)NC1CCN(c2cccs2)CC1
SubComponent,Modify the molecule halo by substituting a C=CCCCN(C)C(=O)c1ccc(OC(F)(F)F)c(N)c1 with a carboxyl.,C=CCCCN(C)C(=O)c1ccc(OC(F)(F)C(=O)[OH])c(N)c1
DelComponent,Please remove a amide from the molecule CCC1NC(=O)C(C2CC2)N(Cc2ccc(I)cc2)C1=O.,CC1NC(=O)C(C2CC2)C1c1ccc(I)cc1
LogP,Modify the molecule O=C(C1=CCCCC1)N1CC2(CCC2(F)F)C1 to have a lower LogP value.,O=C(O)C1C=C(C(=O)N2CC3(CCC3(F)F)C2)CCC1
MR,Optimize the molecule CCc1ccc(NC(=O)CSc2nc(=O)cc(-c3sc(-c4ccc(OC)cc4)nc3C)[nH]2)cc1 to have a lower MR value.,CCc1ccc(Sc2nc(=O)cc(-c3sc(-c4ccc(OC)cc4)nc3C)[nH]2)cc1
QED,Modify the molecule CSc1ccc(CNc2c([N+](=O)[O-])ccc(F)c2F)cc1 to increase its QED value.,CSc1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1
AtomNum,Please generate a molecule composed of 6 carbon atoms.,C=CCCCC[Sn]
BondNum,"Please generate a molecule composed of 15 single bonds, 1 double bond, 6 rotatable bonds, and 18 aromatic bonds.",COc1ncccc1-c1cnc(N)c(OC(C)c2cc(F)ccc2N2CCCC2=O)n1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 1 ester group.",CC(C)Oc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2)cc1
AddComponent,Please add a benzene ring to the molecule CCCn1c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccc(I)nc4)nc3)cc2n(CCC)c1=O.,CCCn1c(=O)c2[nH]c(-c3ccc(N(C(=O)c4ccc(I)nc4)C(c4ccccc4)C4CC4)nc3)cc2n(CCC)c1=O
SubComponent,Please substitute a CC(C)(C)OC(=O)NCc1nnnn1Cc1cccc(F)c1Cl in the molecule halo with a nitrile.,CC(C)(C)OC(=O)NCc1nnnn1Cc1cccc(C#N)c1Cl
DelComponent,Remove a benzene ring from the molecule CC1=CCCC1C(O)c1ccccc1.,CC1=CCCC1CO
LogP,Modify the molecule COC(C(=O)[O-])c1ccc(F)cc1Br to have a lower LogP value.,COC(C(=O)[O-])c1ccc(F)cc1
MR,Optimize the molecule CC([NH+]=C1NC=C(C(F)(F)F)C2(N)CC12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 to have a higher MR value.,CC([NH+]=C1NC=C(C(F)(F)NO)C2(N)CC12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
QED,Optimize the molecule Brc1cnc2c(Br)cc(Br)cc2c1 to have a higher QED value.,Brc1cnc2c(Br)cccc2c1
AtomNum,"The molecule is composed of 15 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",COc1ccccc1Cc1noc(CCC(C)C[NH3+])n1
BondNum,"There is a molecule composed of 8 single bonds, 3 double bonds, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",Cc1cc(C#N)ccc1S(=O)(=O)NCCS(C)=O
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 amine group, 1 halo group, and 1 sulfide group.",COc1ccc(C=C2C[NH+](C)CC3=C2[NH+]=C2SC=C(c4ccc(Cl)cc4)N2C3c2ccc(OC)cc2)cc1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2N)c2cccc([N+](=O)[O-])c2)cc1.,Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2N)c2cccc([N+](=O)[O-])c2)cc1-c1ccccc1
SubComponent,Please substitute a halo in the molecule CC([NH3+])(C(=O)[O-])C(Cc1ccccc1)c1ccc(C(F)(F)F)cc1 with a carboxyl.,CC([NH3+])(C(=O)[O-])C(Cc1ccccc1)c1ccc(C(F)(F)C(=O)[OH])cc1
DelComponent,Please remove a CCC(CC)N(CCOC)C(c1ccc(F)cc1)C(C)[NH3+] from the molecule halo.,CCC(CC)N(CCOC)C(c1ccccc1)C(C)[NH3+]
LogP,Please modify the molecule CCCCC#Cc1cc(Br)ccc1N1CCCC1=O to increase its LogP value.,CCCCC#Cc1c(N2CCCC2=O)ccc(Br)c1-c1ccccc1
MR,Modify the molecule CC(C)CCC(C)C1CCC2C3CC=C4CC(OC(=O)CNC(=O)C5CCCN5C(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C5CCC[NH2+]5)CCC4(C)C3CCC12C to have a higher MR value.,CC(C)CCC(C)C1CCC2C3CC=C4CC(OC(=O)CNC(=O)C5CCCN5C(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C5CCC[NH2+]5)(C(=O)O)CCC4(C)C3CCC12C
QED,Please optimize the molecule COCCCN(C)C(=O)c1ccncc1C#CCO to have a higher QED value.,COCCCN(C)C(=O)c1c(C#CCO)cncc1-c1ccccc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COc1ccc(CNC(=O)CSc2nc(=O)cn[nH]2)cc1OC
BondNum,"Please generate a molecule with 7 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",CCOC(=O)c1c[nH+]c2c(c(C)nn2C)c1N
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 nitro group, and 2 halo groups.",O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC1CBr
AddComponent,Modify the molecule Cc1cc(C)c(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)c(C)c1 by adding a amine.,Cc1cc(CN)cc(C)c1-c1csc(NC(=O)Cc2ccc(F)cc2)n1
SubComponent,Modify the molecule CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C12C[NH+](CC(=O)NCCO)CC2c1ccc(C#N)cc1 by substituting a hydroxyl with a nitrile.,CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C12C[NH+](CC(=O)NCCC#N)CC2c1ccc(C#N)cc1
DelComponent,Please remove a O=S1(=O)CCCC1CNC(c1cccs1)c1cccs1 from the molecule amine.,O=S1(=O)CCCC1CC(c1cccs1)c1cccs1
LogP,Optimize the molecule CCC(CC1CC1)n1c(CO)nc2cc(N)ccc21 to have a higher LogP value.,CCC(CC1CC1)n1c(CO)nc2ccccc21
MR,Optimize the molecule Cc1ccc(Oc2ncc(Br)cc2Cl)c(N)c1 to have a lower MR value.,Cc1ccc(Oc2ncc(O)cc2Cl)c(N)c1
QED,Optimize the molecule COCCNC(=O)CNc1nc(NN)c(F)cc1F to have a lower QED value.,COCCNC(=O)CNc1nc(NN)c(O)cc1F
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CC([NH2+]Cc1ccc(Cl)s1)c1n[nH]c(=O)n1C
BondNum,"There is a molecule consisting of 8 single bonds, 2 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",O=C([O-])c1ccc(=O)n(-c2cc(C(F)(F)F)ccc2Br)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, 3 halo groups, and 1 sulfide group.",OC(c1ccc(Cl)s1)c1ccc(F)cc1Cl
AddComponent,Add a benzene ring to the molecule CC(C)(C)c1ccc(Oc2ccccc2C2=[NH+]CCCN2)cc1.,CC(C)(Cc1ccccc1)c1ccc(Oc2ccccc2C2=[NH+]CCCN2)cc1
SubComponent,Substitute a CCCCCC[NH+](C)CCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1 in the molecule halo with a hydroxyl.,CCCCCC[NH+](C)CCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(O)cc2)s1
DelComponent,Modify the molecule amide by removing a CCOC(=O)c1ccc(S(=O)(=O)NC(C)C(N)=O)c(Br)c1.,CCOC(=O)c1ccc(S(=O)(=O)NC)c(Br)c1
LogP,Please modify the molecule CCOC(=O)C1CCN(C(=O)c2cc3ccccc3cc2OCC(=O)NC2CC2)CC1 to decrease its LogP value.,CCOC(=O)C1CCN(C(=O)c2cc3ccccc3cc2OCC(=O)NC2CC2)CC1C(=O)O
MR,Optimize the molecule COc1ccc(C2N(C3C4CC5CC3CC(O)(C5)C4)C(=O)C2(C)C)c2ccccc12 to have a lower MR value.,COc1ccc(C2N(C3C4CC5CC(C4)CC3C5)C(=O)C2(C)C)c2ccccc12
QED,Modify the molecule COC(c1ccccc1)C(O)(O)[NH2+]C(O)(O)Cc1c(O)c(O)c(NC(=O)Cc2csc(N)n2)c(O)c1O to decrease its QED value.,COC(c1ccccc1)C(O)(C#N)[NH2+]C(O)(O)Cc1c(O)c(O)c(NC(=O)Cc2csc(N)n2)c(O)c1O
AtomNum,"The molecule is composed of 13 carbon atoms, and 1 oxygen atom.",CCCc1cc(CC)cc(C)c1OC
BondNum,"The molecule consists of 13 single bonds, 3 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",CCOc1ccc(N(CC(=O)NCc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amine group.",C=CCc1cc(N)ccc1OCCCOCCOC
AddComponent,Add a amine to the molecule Cc1cc2oc(=O)c(C(=O)Nc3nccs3)c([O-])c2c(=O)n1C.,Cc1c(N)c2oc(=O)c(C(=O)Nc3nccs3)c([O-])c2c(=O)n1C
SubComponent,Modify the molecule O=S(=O)(c1cccc(C#CCO)c1)N1CC2CCC1C2 by substituting a hydroxyl with a nitro.,ONCC#Cc1cccc(S(=O)(=O)N2CC3CCC2C3)c1
DelComponent,Modify the molecule halo by removing a CCCCc1noc(CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)n1.,CCCCc1noc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)n1
LogP,Please optimize the molecule [NH3+]Cc1ccc2c(CNC(=O)c3ccc(-c4cccc(Cl)c4)cc3)cccc2c1 to have a higher LogP value.,[NH3+]Cc1ccc2c(CNC(=O)c3ccc(-c4cccc(Cl)c4)cc3-c3ccccc3)cccc2c1
MR,Optimize the molecule Cc1ccc(CN2C(=O)COc3cc(N)ccc3C2=O)cc1 to have a higher MR value.,Nc1ccc2c(c1)OCC(=O)N(Cc1ccc(Cc3ccccc3)cc1)C2=O
QED,Please optimize the molecule CC(C)(C)OC(=O)CNc1ccc(C(=O)[O-])cn1 to have a lower QED value.,CC(C)(C)OC(=O)Cc1ccc(C(=O)[O-])cn1
AtomNum,"The molecule is composed of 7 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CC(Cl)C(C)Cc1cnsn1
BondNum,"Please generate a molecule composed of 27 single bonds, 3 double bonds, and 15 rotatable bonds.",CCCCCCC(C)(O)CCN1C(=O)C(C)(C)C(=O)C1CCCCCCC(=O)OC
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 2 nitro groups, 1 halo group, and 1 nitrile group.",N#Cc1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1NC(=O)c1ccc(Br)cc1
AddComponent,Please add a hydroxyl to the molecule CCCCn1nc(C(=O)Nc2ccc(OCC#N)cc2)c2ccccc2c1=O.,CCCCn1nc(C(=O)Nc2ccc(OCC#N)cc2)c2cccc(O)c2c1=O
SubComponent,Please substitute a halo in the molecule CC(=O)N(CCC(=O)NCCc1ccccc1F)CCc1ccc(Cl)cc1 with a aldehyde.,CC(=O)c1ccccc1CCNC(=O)CCN(CCc1ccc(Cl)cc1)C(C)=O
DelComponent,Remove a benzene ring from the molecule Cc1ccc(C)c2sc(N(Cc3ccco3)C(=O)c3cccc(SC(C)C)c3)nc12.,Cc1ccc(C)c2sc(N(Cc3ccco3)C(=O)SC(C)C)nc12
LogP,Modify the molecule Cc1ccn(C2OC(C[NH+]3CCOCC3)C(O)C2(F)F)c(=O)n1 to decrease its LogP value.,CC(=O)C1(F)C(O)C(C[NH+]2CCOCC2)OC1n1ccc(C)nc1=O
MR,Modify the molecule CC(C)n1ccc(CC(NN)c2ccncn2)n1 to increase its MR value.,CC(C)n1nc(CC(NN)c2ccncn2)cc1-c1ccccc1
QED,Optimize the molecule CC[NH2+]CC(C)C(=O)OCC1CCCO1 to have a lower QED value.,CC[NH2+]C(O)C(C)C(=O)OCC1CCCO1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CCOC(=O)C[NH+](C)Cc1nnc(-c2ccc(Cl)cc2)o1
BondNum,"The molecule is composed of 17 single bonds, 3 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",C[NH+]1CCCCC1CNC(=O)c1cccc(-c2coc(C=C3C(=O)Nc4ccccc43)c2)c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 6 halo groups.",CCCc1cccc(C(F)(F)C(F)(F)c2cccc(CCC3CCC(CCC)CC3)c2F)c1F
AddComponent,Add a benzene ring to the molecule CC(=O)NC(C)C(=O)NCC1Cc2cc(C)cc(-c3cnccn3)c2O1.,CC(=O)NC(Cc1ccccc1)C(=O)NCC1Cc2cc(C)cc(-c3cnccn3)c2O1
SubComponent,Please substitute a hydroxyl in the molecule O=C([O-])c1cn(C2CC3CC4CC(C2)[NH+]3CC4O)c2ccccc12 with a thiol.,O=C([O-])c1cn(C2CC3CC4CC(C2)[NH+]3CC4S)c2ccccc12
DelComponent,Modify the molecule benzene ring by removing a CC[NH2+]Cc1ccc(CSCc2ccccc2Cl)o1.,CC[NH2+]Cc1ccc(CSCCl)o1
LogP,Please modify the molecule Cc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(Cl)s2)cc1 to decrease its LogP value.,Cc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(Cl)s2)cc1O
MR,Please optimize the molecule CCCCn1ncc(NC2CCC([NH2+]C)CC2)c(Cl)c1=O to have a higher MR value.,CCCCn1ncc(NC2CCC([NH2+]C)CC2N)c(Cl)c1=O
QED,Please optimize the molecule Cc1cc(C(=O)C[NH+]2CCC(C(=O)[O-])CC2)c(C)n1CCc1ccccc1 to have a lower QED value.,Cc1cc(C(=O)C[NH+]2CCC(C(=O)[O-])CC2)c(C)n1CCc1ccccc1O
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc(NS(=O)(=O)CCCC[NH2+]C(C)C)c(Cl)c1
BondNum,"There is a molecule composed of 8 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C)c(NCc2ccc(Br)c(C)c2)c(C)c1
FunctionalGroup,Please generate a molecule consisting and 2 amine groups.,CCNc1nc(NCC2(OC)CCC2)c2cn[nH]c2n1
AddComponent,Please add a hydroxyl to the molecule O=C1CC(Nc2cc(F)ccc2[N+](=O)[O-])CN1.,O=C1CC(O)(Nc2cc(F)ccc2[N+](=O)[O-])CN1
SubComponent,Substitute a halo in the molecule CC(C)CC(=O)N1CCSC12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 with a nitro.,CC(C)CC(=O)N1CCSC12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)NO)c1)CC2
DelComponent,Remove a amide from the molecule CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)c1nc2cc(Cl)ccc2c(=O)n1C.,CCc1(Cl)cc([N+](=O)[O-])cc-1C(C)c1nc2cc(Cl)ccc2c(=O)n1C
LogP,Modify the molecule c1ccc2[nH]c(N3CCC4(CCCC4)C3)nc2c1 to have a higher LogP value.,c1ccc(-c2ccc3nc(N4CCC5(CCCC5)C4)[nH]c3c2)cc1
MR,Please optimize the molecule O=C(CC1CC2CCC1C2)NCCCNc1ccccc1 to have a lower MR value.,O=C(CC1CC2CCC1C2)NCCCc1ccccc1
QED,Modify the molecule COc1ccc([N+](=O)[O-])cc1C1OCCO1 to decrease its QED value.,COC1([N+](=O)[O-])OCCO1
AtomNum,"Please generate a molecule consisting 9 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCCN(CC[NH3+])S(=O)(=O)N(CC)CC
BondNum,"There is a molecule composed of 13 single bonds, 6 rotatable bonds, and 10 aromatic bonds.",CCOC1CC(Cc2nc3cc(C[NH3+])ccc3n2CC)C1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 sulfone group.",COCCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)cc1
AddComponent,Modify the molecule C1C[NH+](Cc2nnnn2C2CC2)CC2(CC2)CO1 by adding a hydroxyl.,OC1CC12COCC[NH+](Cc1nnnn1C1CC1)C2
SubComponent,Please substitute a CC[NH2+]C(Cc1ccc(Cl)cc1Cl)C(CC)CC in the molecule halo with a thiol.,CC[NH2+]C(Cc1ccc(S)cc1Cl)C(CC)CC
DelComponent,Please remove a amine from the molecule Cc1cn(CC(=O)N(CC[NH3+])CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)N2CCCC2C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CCCC[NH3+])C(=O)NC(C(=O)[O-])C(C)C)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O.,Cc1cn(CC(=O)N(CC[NH3+])CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)N2CCCC2C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CCCC[NH3+])C(=O)NC(C(=O)[O-])C(C)C)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3cncnc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
LogP,Modify the molecule CC(C)C[NH+](CC(C)CBr)C1CCCC1 to have a lower LogP value.,CC(C)C[NH+](CC(C)CO)C1CCCC1
MR,Optimize the molecule Nc1csc(S(=O)(=O)NCCn2ccnn2)c1 to have a lower MR value.,Nc1csc(S(=O)(=O)CCn2ccnn2)c1
QED,Please modify the molecule O=C1NC(=O)N2CC[NH+](Cc3cn[nH]c3-c3ccccc3F)CC12 to decrease its QED value.,O=C([OH])c1ccccc1-c1[nH]ncc1C[NH+]1CCN2C(=O)NC(=O)C2C1
AtomNum,"The molecule consists of 18 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 3 fluorine atoms.",CCC1NC(=O)N(c2ccc(Oc3ccc(C#N)c(OC(F)(F)F)c3)nc2)C1O
BondNum,"The molecule has 13 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",CCC1CC[NH+](C2c3ccccc3Cc3ccccc32)CC1
FunctionalGroup,Please generate a molecule with and 1 aldehyde group.,CC(C)Cn1ncc(CC=O)c1C1CC1
AddComponent,Add a benzene ring to the molecule CCOc1ccc2[nH]cc(C3([NH3+])CCCC3)c2c1.,CCOc1cc(-c2ccccc2)c2[nH]cc(C3([NH3+])CCCC3)c2c1
SubComponent,Substitute a hydroxyl in the molecule CCC1=CC2C[NH+](C1)Cc1c([nH]c3ccc(C=CC(=O)OC(C)(C)C)cc13)C(C(=O)OC)(C1C=C3C(=CC1OC)[NH+](C)C1C(O)(C(=O)OC)C(OC(C)=O)C4C(CC)CC[NH+]5CCC31C45)C2 with a nitro.,CCC1=CC2C[NH+](C1)Cc1c([nH]c3ccc(C=CC(=O)OC(C)(C)C)cc13)C(C(=O)OC)(C1C=C3C(=CC1OC)[NH+](C)C1C34CC[NH+]3CCC(CC)C(C34)C(OC(C)=O)C1(NO)C(=O)OC)C2
DelComponent,Modify the molecule amide by removing a COC(=O)c1cccc(NC(=S)NC(=O)CCCOc2ccccc2)c1.,COC(=O)c1cccc(NC(=S)CCOc2ccccc2)c1
LogP,Please optimize the molecule CCCn1cc(S(=O)(=O)NCC(O)C(N)=O)[nH+]c1C to have a higher LogP value.,CCCn1cc(S(=O)(=O)NCC(F)C(N)=O)[nH+]c1C
MR,Modify the molecule CC(O)C(=O)OC(=O)C(O)C(O)C(O)C(O)CO to have a lower MR value.,CC(O)C(=O)OC(=O)C(O)C(O)C(O)C(C)O
QED,Please optimize the molecule Cc1cc(C)n(-c2ccc(CCNS(=O)(=O)c3ccccc3F)cc2)n1 to have a lower QED value.,Cc1cc(C)n(-c2ccc(CCNS(=O)(=O)c3ccccc3S)cc2)n1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 1 nitrogen atom, and 4 fluorine atoms.",CC(C)C[NH2+]CC1CCC1c1ccc(F)c(C(F)(F)F)c1
BondNum,"The molecule contains 14 single bonds, 4 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",COc1ccc(C=C2Sc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc3NC2=O)cc1C
FunctionalGroup,"Please generate a molecule with 2 amide groups, and 3 halo groups.",C#CCNC(=O)COC1CCC(NC(=O)c2cnc3cc(OC(F)F)c(F)cc3c2)CC1
AddComponent,Please add a hydroxyl to the molecule CC(C)C(C)n1cncc1C[NH3+].,CC(CO)C(C)n1cncc1C[NH3+]
SubComponent,Please substitute a halo in the molecule COC(C)(C)CCC([NH3+])c1cccc(F)c1 with a carboxyl.,COC(C)(C)CCC([NH3+])c1cccc(C(=O)[OH])c1
DelComponent,Please remove a benzene ring from the molecule COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccccc3)cc2)sc2cc(S(C)(=O)=O)ccc21.,COC(=O)Cn1c(=NC(=O)c2ccccc2)sc2cc(S(C)(=O)=O)ccc21
LogP,Modify the molecule CNc1nc(NN=Cc2cc(I)cc(I)c2OC)nc(Nc2cccc(C(F)(F)F)c2)n1 to decrease its LogP value.,CNc1nc(NN=Cc2cc(S)cc(I)c2OC)nc(Nc2cccc(C(F)(F)F)c2)n1
MR,Modify the molecule CCC(=O)N1CCC(C[NH2+]Cc2nc(N)c3cc(OC)c(OC)cc3n2)(c2ccccc2)CC1 to increase its MR value.,CCC(=O)N1CCC(C[NH2+]Cc2nc(N)c3cc(OC)c(OC)cc3n2)(c2ccccc2)C(C(=O)O)C1
QED,Please modify the molecule CC(O)CCN(C)C(=O)C1CCCC(CC[NH3+])C1 to increase its QED value.,CCCCN(C)C(=O)C1CCCC(CC[NH3+])C1
AtomNum,"There is a molecule composed of 12 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CC(CCl)CCCNC(=O)c1cccc(=O)[nH]1
BondNum,"The molecule consists of 13 single bonds, 1 double bond, and 6 rotatable bonds.",COCC(C)C[NH+](CC(=O)[O-])C(C)(C)C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ketone group, and 1 amide group.",COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1cccnc1OC
AddComponent,Modify the molecule CCCOc1cccc(C([NH3+])C(=O)NCCCO)c1 by adding a benzene ring.,CCCOc1cc(-c2ccccc2)cc(C([NH3+])C(=O)NCCCO)c1
SubComponent,Please substitute a halo in the molecule O=C1CCCc2nc(NC(=O)N3CC=C(C(F)(F)F)CC3)ccc21 with a hydroxyl.,O=C1CCCc2nc(NC(=O)N3CC=C(C(O)(F)F)CC3)ccc21
DelComponent,Modify the molecule benzene ring by removing a CCCCC[NH2+]C(c1ccccc1)c1ccc(C)cc1C.,CCCCC[NH2+]C(CC)c1ccccc1
LogP,Modify the molecule COc1nc(NC2(C)CCOCC2)ncc1Br to increase its LogP value.,COc1nc(C2(C)CCOCC2)ncc1Br
MR,Modify the molecule CC(C[NH3+])CCc1nc2cc(Br)ccc2n1C1CC1 to decrease its MR value.,CC(C[NH3+])CCc1nc2ccccc2n1C1CC1
QED,Please optimize the molecule COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CCCC2 to have a higher QED value.,COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)OC)sc2c1CCCC2
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 bromine atom.",Cc1[nH]ncc1-c1onc(N)c1-c1cccc(Br)c1
BondNum,"The molecule consists of 11 single bonds, 2 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCCN(C1C[NH2+]C1)S(=O)(=O)c1ccc(Cl)s1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 amide groups.",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCNC(=O)c1ccccc1
AddComponent,Modify the molecule CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3OC)C2c2ccc(O)cc2)cc1C(C)(C)C by adding a benzene ring.,CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3OC)C2c2ccc(O)cc2)c(-c2ccccc2)c1C(C)(C)C
SubComponent,Substitute a halo in the molecule O=C(COC(=O)c1cccs1)Nc1ccc(Cl)cc1Cl with a hydroxyl.,O=C(COC(=O)c1cccs1)Nc1ccc(O)cc1Cl
DelComponent,Modify the molecule nitrile by removing a CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(OC)c(-c4nc5c(C(C)(C)C#N)cccc5o4)c3)cc12.,CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(OC)c(-c4nc5c(C(C)C)cccc5o4)c3)cc12
LogP,Please optimize the molecule C=CCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCC to have a lower LogP value.,C=CCCCCCCCCCC(O)CCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCC
MR,Modify the molecule CCOc1ccc(C[NH+](C)Cn2nc(Cc3csc(C)n3)oc2=S)cc1 to decrease its MR value.,CCOC[NH+](C)Cn1nc(Cc2csc(C)n2)oc1=S
QED,Modify the molecule COc1nc(-c2cccc3c2OCCO3)ccc1Nc1ccc(C[NH+](C)C)cc1 to have a lower QED value.,COc1nc(-c2cccc3c2OCCO3)ccc1Nc1ccc(C[NH+](C)C)c(CC=O)c1
AtomNum,"The molecule is composed of 13 carbon atoms, and 2 nitrogen atoms.",CC[NH+](C(C)C)C(C)c1ccc(N)cc1
BondNum,"Please generate a molecule composed of 21 single bonds, 4 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",COc1cc(C=CC=CC(=O)N2CC[NH+](CC(=O)NC(C)C)CC2)cc(OC)c1O
FunctionalGroup,There is a molecule with and 1 halo group.,Fc1cnccc1-c1cc2[nH]c(-c3ccccn3)nc2nc1-c1cccnc1
AddComponent,Add a carboxyl to the molecule CCCCCCCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)nc2cc(C)ccn12.,CCCC(CCCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)nc2cc(C)ccn12)C(=O)O
SubComponent,Modify the molecule halo by substituting a O=C(CCNC(=O)c1ccc(CN(C(=O)NCc2ccccc2-c2ccccc2)c2ccc(C3=CCCCC3)cc2)cc1)OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccc(C3=CCCCC3)cc2)cc1 with a nitro.,ONc1ccc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)OC(=O)CCNC(=O)c3ccc(CN(C(=O)NCc4ccccc4-c4ccccc4)c4ccc(C5=CCCCC5)cc4)cc3)cc2)c2ccc(C3=CCCCC3)cc2)cc1C(F)(F)F
DelComponent,Modify the molecule CCOC(=O)c1ccc(C=CC(c2cc(C)c(F)c(C)c2)C(F)(F)F)cc1Br by removing a halo.,CCOC(=O)c1ccc(C=CC(c2cc(C)c(F)c(C)c2)C(F)(F)F)cc1
LogP,Modify the molecule COC1(C[NH2+]Cc2c[nH]c3cc(Cl)ccc23)CCOC1 to decrease its LogP value.,COC1(C[NH2+]Cc2c[nH]c3cc(Cl)cc(O)c23)CCOC1
MR,Please optimize the molecule COc1c(NCC[NH2+]C2CC2)[nH]cnc1=O to have a lower MR value.,COc1c(CC[NH2+]C2CC2)[nH]cnc1=O
QED,Modify the molecule C=CCCC(C)CC(NC(=O)C(C)[NH2+]C)C(O)CCl to have a higher QED value.,C=CCCC(C)CC(CCCl)NC(=O)C(C)[NH2+]C
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 5 oxygen atoms, and 1 chlorine atom.",O=C1OC2(c3cc(Cl)c(O)cc3Oc3c2ccc2c3=CCC(O)C=2)c2ccccc21
BondNum,"Please generate a molecule consisting 22 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C)cc(C(C(=O)Nc2c(C)cccc2Cl)N(C(=O)CNC(=O)OC(C)(C)C)C(C)(C)C)c1
FunctionalGroup,"There is a molecule with 1 ketone group, 1 halo group, 1 sulfide group, and 1 sulfone group.",O=C(CN1C=Nc2ccccc2S1(=O)=O)c1sccc1Br
AddComponent,Modify the molecule Cc1ccc(Cl)c(OCn2ccc(C(=O)N3CC[NH+](Cc4cnn(C)c4)CC3)n2)c1 by adding a carboxyl.,Cc1ccc(Cl)c(OCn2cc(C(=O)O)c(C(=O)N3CC[NH+](Cc4cnn(C)c4)CC3)n2)c1
SubComponent,Modify the molecule Cl[B-]1([Cl+])N2CC=CC2=Cc2cccn21 by substituting a halo with a aldehyde.,CC(=O)[B-]1([Cl+])N2CC=CC2=Cc2cccn21
DelComponent,Please remove a amine from the molecule c1cc2c([nH]1)OCC2NC1=[NH+]CCO1.,c1cc2c([nH]1)OCC2C1=[NH+]CCO1
LogP,Modify the molecule COc1ccc(OC)c(C(=O)COC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 to have a higher LogP value.,COc1ccc(OC)c(C(=O)COC(=O)CCC2C3CC4CC(C3)C2C4)c1
MR,Optimize the molecule [NH3+]CC1(CO)CC1c1ccc(Cl)c(Cl)c1 to have a higher MR value.,[NH3+]CC1(CO)CC1c1ccc(NO)c(Cl)c1
QED,Modify the molecule CCCC1=C2B(O)OC(c3ccc(O)cc3Cl)CC2C2C(=O)N(C3CC[NH+](Cc4ccccc4)CC3)C(=O)C2C1 to decrease its QED value.,CCCC1=C2B(O)OC(c3ccc(O)cc3Cl)CC2C2C(=O)N(C3CC[NH+](Cc4ccc(O)cc4)CC3)C(=O)C2C1
AtomNum,"The molecule contains 33 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 3 fluorine atoms.",CC(=O)OC[N+]1(C)CCN(c2cc(-c3ccccc3C)c(N(C)C(=O)C(C)(C)c3cc(C)cc(C(F)(F)F)c3)cn2)CC1
BondNum,"There is a molecule composed of 24 single bonds, and 2 double bonds.",C=C1C2C(C)C(C)C(C)C(C)C2C(=C)C2C(C)C(C)C(C)C(C)C12
FunctionalGroup,There is a molecule consisting of and 1 amine group.,Cn1nnc(C[NH+](CCC(N)=S)C2CC2)n1
AddComponent,Please add a benzene ring to the molecule CCCCCCCCCCOc1ccc(-c2ccc(OC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1.,CCCCCCCCCCOc1ccc(-c2ccc(OC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2-c2ccccc2)cc1
SubComponent,Substitute a hydroxyl in the molecule CCC(O)c1ccc(OCCc2ccsc2)cc1 with a nitrile.,CCC(C#N)c1ccc(OCCc2ccsc2)cc1
DelComponent,Please remove a nitrile from the molecule CCCCCCS(=O)(=O)c1nn2c(C#N)cc(=O)nc2s1.,CCCCCCS(=O)(=O)c1nn2ccc(=O)nc2s1
LogP,Modify the molecule Cc1cc(C)c2c(c1)C(=O)C1(O)CCCCC1(O)N2 to increase its LogP value.,Cc1cc(C)c2c(c1)C(=O)C1CCCCC1(O)N2
MR,Please optimize the molecule Nc1ccc(NS(=O)(=O)CC2CCCO2)c(Cl)c1 to have a lower MR value.,Nc1ccc(NS(=O)(=O)CC2CCCO2)c(O)c1
QED,Optimize the molecule CC(=O)Nc1ccc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2csc3ccc(F)cc23)cn1 to have a higher QED value.,CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccnc3)n(Cc3csc4ccc(F)cc34)nc21
AtomNum,"The molecule consists of 20 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",CC(O)(CNC(=O)C1(c2ccc(F)cc2)CCC1)c1ccccc1
BondNum,"There is a molecule consisting of 11 single bonds, 3 double bonds, 1 triple bond, 6 rotatable bonds, and 6 aromatic bonds.",CC(=O)Nc1ccccc1C(=O)NC(CCC#N)C(=O)[O-]
FunctionalGroup,The molecule consists of and 2 hydroxyl groups.,OC1C[NH+](Cc2cccc3cccnc23)CC1O
AddComponent,Add a hydroxyl to the molecule CC(=O)c1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3nc(C)cc(C)n3)C2=O)c1.,CC(=O)c1cccc(N2C(=O)C(Nc3ccc(C#N)c(O)c3)=C(Sc3nc(C)cc(C)n3)C2=O)c1
SubComponent,Please substitute a halo in the molecule CC1(Nc2nc(Cl)cs2)CC=CCC1 with a thiol.,CC1(Nc2nc(S)cs2)CC=CCC1
DelComponent,Please remove a COc1cc2c(cc1OC)C[NH+](CCC(=O)NN)CC2 from the molecule amine.,COc1cc2c(cc1OC)C[NH+](CCC(N)=O)CC2
LogP,Please modify the molecule COc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3Br)n2)cc1 to increase its LogP value.,COc1ccc(-c2nc(NC(=O)COc3ccc(Cl)cc3Br)sc2-c2ccccc2)cc1
MR,Please modify the molecule CC(C)(C)OC(=O)N1CCC(c2ncc(B3OC(C)(C)C(C)(C)O3)c(Cl)n2)CC1 to increase its MR value.,CC(C)(C)OC(=O)N1CCC(c2ncc(B3OC(C)(C)C(C)(C)O3)c(C(=O)[OH])n2)CC1
QED,Modify the molecule C=CCCCC=C(C=O)CCC(O)C(C=O)CCC=C(C=O)CC(C=O)C1CCCC(O)O1 to increase its QED value.,C=CCCCC=C(C=O)CCCC(C=O)CCC=C(C=O)CC(C=O)C1CCCC(O)O1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",c1cc(CC[NH2+]Cc2ccc3c(c2)OCCO3)ccn1
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",O=C(C=Cc1ccc(-c2ccc(Cl)cc2)cn1)Nc1ccc(C[NH+]2CCCCC2)cc1
FunctionalGroup,There is a molecule composed of and 1 sulfide group.,CCCc1nc(C2(OCC)CCOCC2)sc1C(=O)[O-]
AddComponent,Please add a hydroxyl to the molecule O=C(NC1CC1)c1ccc(C#CCO)c(F)c1.,O=C(NC1CC1)c1cc(F)c(C#CCO)cc1O
SubComponent,Please substitute a CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1 in the molecule halo with a nitro.,CCCN(Cc1ccccc1)C(=O)c1ccc(NO)c(S(=O)(=O)NCC2CCCO2)c1
DelComponent,Modify the molecule CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14 by removing a hydroxyl.,CC(=O)OC1CC23CC24CCCC(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14
LogP,Please modify the molecule CC(C)C1CC(C)(C)Oc2cc(C3CCCC3)c(O)cc21 to increase its LogP value.,CC(C)C1CC(C)(C)Oc2cc(C3CCCC3)ccc21
MR,Modify the molecule N#Cc1cncc(C(=O)NCC2CCC2)c1 to increase its MR value.,O=C(NCC1CCC1)c1cncc(S)c1
QED,Modify the molecule Cc1csc(CN2C(=O)N(C)C(=O)C23CCN(C(=O)C(NC(=O)C2CC(C(F)(F)F)=CC=C2F)C(C)C)CC3)n1 to decrease its QED value.,Cc1csc(CN2C(=O)N(C)C(=O)C23CCN(C(=O)C(NC(=O)C2CC(C(F)(F)F)=CC=C2F)C(C)C)C(c2ccccc2)C3)n1
AtomNum,"The molecule consists of 27 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",C1=C[NH+](C2CC2c2ccc3ccccc3n2)Cc2c1cccc2N1CCC2(COC2)C1
BondNum,"There is a molecule with 14 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCOC(C(=O)N1CCC(C)(C(=O)[O-])C1)c1ccccc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",COc1ccccc1Cc1noc(C2CN(C(=O)c3ccc4c(c3)OCO4)C2)n1
AddComponent,Add a hydroxyl to the molecule CCCCCc1csc2nc(CC(=O)NCc3ccncc3)nc(N(C)C3CC3)c12.,CCCCCc1c(O)sc2nc(CC(=O)NCc3ccncc3)nc(N(C)C3CC3)c12
SubComponent,Modify the molecule COc1ccccc1C(C)N(C)C(=O)CCCl by substituting a halo with a carboxyl.,COc1ccccc1C(C)N(C)C(=O)CCC(=O)[OH]
DelComponent,Please remove a CCC(C)C(N=C(O)C(C)N=C(O)C(CC(=O)[O-])N=C(O)C(C)N=C(O)C([NH3+])Cc1ccc(O)cc1)C(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(CC(=N)O)C(O)=NC(CO)C(O)=NC(Cc1ccc(O)cc1)C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(CCCC[NH3+])C(O)=NC(C(O)=NC(CC(C)C)C(O)=NC(C)C(O)=NC(CCC(=N)O)C(O)=NC(CC(C)C)C(O)=NC(CO)C(O)=NC(C)C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(CCCC[NH3+])C(O)=NC(CC(C)C)C(O)=NC(CC(C)C)C(O)=NC(CCC(=N)O)C(O)=NC(CC(=O)[O-])C(O)=NC(C(O)=NC(CCSC)C(O)=NC(CO)C(O)=NC(CCCNC(N)=[NH2+])C(=N)O)C(C)CC)C(C)C)C(C)O from the molecule benzene ring.,CCC(C)C(N=C(O)C(C)N=C(O)C(CC(=O)[O-])N=C(O)C(C)N=C(O)C([NH3+])CO)C(O)=NC(Cc1ccccc1)C(O)=NC(C(O)=NC(CC(=N)O)C(O)=NC(CO)C(O)=NC(Cc1ccc(O)cc1)C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(CCCC[NH3+])C(O)=NC(C(O)=NC(CC(C)C)C(O)=NC(C)C(O)=NC(CCC(=N)O)C(O)=NC(CC(C)C)C(O)=NC(CO)C(O)=NC(C)C(O)=NC(CCCNC(N)=[NH2+])C(O)=NC(CCCC[NH3+])C(O)=NC(CC(C)C)C(O)=NC(CC(C)C)C(O)=NC(CCC(=N)O)C(O)=NC(CC(=O)[O-])C(O)=NC(C(O)=NC(CCSC)C(O)=NC(CO)C(O)=NC(CCCNC(N)=[NH2+])C(=N)O)C(C)CC)C(C)C)C(C)O
LogP,Please optimize the molecule O=C(Nc1ccc(Br)cc1F)C(S)Cc1ccccc1 to have a lower LogP value.,O=C(Nc1ccc(Br)cc1)C(S)Cc1ccccc1
MR,Modify the molecule CCC[NH2+]Cc1cc(Br)ccc1N1CC(OC)C(OC)C1 to have a higher MR value.,CC(=O)c1ccc(N2CC(OC)C(OC)C2)c(C[NH2+]CCC)c1
QED,Optimize the molecule CCn1c(C)c(C(C)=O)sc1=Nc1ccc(CC(=O)N2CCC(O)C2)cc1 to have a higher QED value.,CCn1c(C)c(C(C)=O)sc1=NCC(=O)N1CCC(O)C1
AtomNum,"Please generate a molecule composed of 23 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 fluorine atom.",O=C(COc1ccccc1F)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1
BondNum,"There is a molecule consisting of 15 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",CN1C(=O)CC(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)N(C)C1=O
FunctionalGroup,"There is a molecule with 2 amine groups, 2 thioether groups, and 1 sulfide group.",CNc1cccc(NCCCCSC)n1
AddComponent,Modify the molecule CCOc1cc(C=NNc2nc(C)cc(C)n2)ccc1OCC(=O)Nc1ccccc1 by adding a carboxyl.,Cc1cc(C)nc(NN=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC(C)C(=O)O)c2)n1
SubComponent,Substitute a N#Cc1ccc(CBr)c(CC(=O)[O-])c1F in the molecule nitrile with a hydroxyl.,O=C([O-])Cc1c(CBr)ccc(O)c1F
DelComponent,Modify the molecule COC(=O)CCC=CC(C)CCCc1ccccc1 by removing a benzene ring.,CCCC(C)C=CCCC(=O)OC
LogP,Modify the molecule CC[NH+](CC)C(CC)(CC)C(NN)c1ccco1 to increase its LogP value.,CC[NH+](CC)C(CC)(CC)C(N)c1ccco1
MR,Optimize the molecule CC(C)C1N(C(=O)C2(C)CCC2)CC1(C)C to have a lower MR value.,CC(C)C1CC2CC2CC1(C)C
QED,Please modify the molecule Cc1nn(C(C)C)c(C)c1NC1CC[NH+]2CCCC12 to decrease its QED value.,Cc1nn(C(C)C)c(C)c1C1CC[NH+]2CCCC12
AtomNum,"There is a molecule with 13 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1nc(-c2ccc(OC(C)C)cc2)[nH]c(=O)n1
BondNum,"There is a molecule composed of 8 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CC(C)C(Br)C(=O)NCc1cccc2cccnc12
FunctionalGroup,The molecule is composed of and 1 ketone group.,CC(C)CC(=O)c1ccc2ccccn12
AddComponent,Modify the molecule COC(=O)CCc1ccc(OCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)cc1 by adding a benzene ring.,COC(=O)CCc1ccc(OCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2-c2ccccc2)cc1
SubComponent,Modify the molecule halo by substituting a CC(C(=O)NC(=O)NC1CC1)[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 with a nitrile.,CC(C(=O)NC(=O)NC1CC1)[NH+]1CCN(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1
DelComponent,Modify the molecule amide by removing a Cc1cc(C)n2nc(CC(=O)NC(c3ccccc3)C3CCCCC3)nc2n1.,Cc1cc(C)n2nc(C(c3ccccc3)C3CCCCC3)nc2n1
LogP,Modify the molecule CCOC(=O)C(Cc1ccccc1)(OCC1CCC(n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)O1)C(=O)OCC to decrease its LogP value.,CCOC(=O)C(C)(OCC1CCC(n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)O1)C(=O)OCC
MR,Modify the molecule CN1C(N)=[NH+]CC1c1ccc(C2CC2)cc1 to decrease its MR value.,CN1C(N)=[NH+]CC1C1CC1
QED,Modify the molecule CN(Cc1ccccc1F)C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 to have a lower QED value.,CN(Cc1ccccc1O)C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",CC1C[NH+](C)C(C)CN1c1cc(O)cc(Cc2ccccc2-c2nn[n-]n2)c1
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",Cc1ccn(-c2ccccc2NC(=O)CCC2CC[NH2+]CC2)n1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 1 ketone group.",Cc1cc(OCc2ccccc2)c(C(=O)Cc2ccc3c(ccn3C)c2)cc1C(C)C
AddComponent,Please add a benzene ring to the molecule COC(=O)c1ccnc(C(F)(F)F)c1-c1ccc(OC(F)(F)F)cc1.,COC(=O)c1c(-c2ccccc2)cnc(C(F)(F)F)c1-c1ccc(OC(F)(F)F)cc1
SubComponent,Substitute a halo in the molecule Cc1ccc(C(=O)C(C#N)c2ccc(F)cc2Cl)c(Cl)c1 with a nitro.,Cc1ccc(C(=O)C(C#N)c2ccc(NO)cc2Cl)c(Cl)c1
DelComponent,Please remove a Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccc(Cl)cc1 from the molecule benzene ring.,Cc1nc(F)sc1CCNC(=O)c1ccc(Cl)cc1
LogP,Modify the molecule O=C([O-])NCc1ccc(N2CCCC2)c(F)c1 to decrease its LogP value.,O=C([O-])NCc1ccc(N2CCC(O)C2)c(F)c1
MR,Modify the molecule CCCC(O)C[NH2+]CC1CC[NH+](C)CC1 to increase its MR value.,CCCC(S)C[NH2+]CC1CC[NH+](C)CC1
QED,Please optimize the molecule COc1ccc(CC2COC(=O)C2Cc2ccc(OC(=O)Nc3ccc(OC(F)(F)F)cc3)c(OC)c2)cc1OC to have a higher QED value.,COc1ccc(CC2COC(=O)C2Cc2ccc(OC(=O)Nc3ccc(OC(F)F)cc3)c(OC)c2)cc1OC
AtomNum,"The molecule has 17 carbon atoms, 1 oxygen atom, and 1 iodine atom.",Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(I)c1C
BondNum,"Please generate a molecule consisting 12 single bonds, 2 double bonds, 6 rotatable bonds, and 23 aromatic bonds.",CCN(C(=O)Nc1ccccc1OC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
FunctionalGroup,"The molecule contains 3 benzene ring groups, 1 hydroxyl group, 1 ester group, 2 amide groups, 2 thioether groups, and 1 sulfide group.",NC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(O)c3ccccc3)C2SC1
AddComponent,Add a carboxyl to the molecule CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC2CCC1C2.,CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC2CCC1(C(=O)O)C2
SubComponent,Modify the molecule halo by substituting a CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1cccc(C)c1)C(=O)c1ccccc1F with a aldehyde.,CC(=O)c1ccccc1C(=O)N(CCCC)CC(=O)N1c2ccccc2-n2cccc2C1c1cccc(C)c1
DelComponent,Remove a benzene ring from the molecule COC(=O)c1ccc(OCc2ncno2)cc1.,COC(=O)OCc1ncno1
LogP,Optimize the molecule Brc1ccc2[nH]c3ccncc3c2c1 to have a lower LogP value.,Sc1ccc2[nH]c3ccncc3c2c1
MR,Modify the molecule CCC(CO)(CO)Nc1ccc(S(=O)(=O)NC(C)C)cc1 to increase its MR value.,CCC(CO)(CO)Nc1ccc(S(=O)(=O)NC(C)C)cc1-c1ccccc1
QED,Please modify the molecule CCCCCCCCCCCCOc1ccc(C2c3ccc(N(C)C)cc3OC(=N)C2C#N)cc1 to increase its QED value.,CCCCCCCCCCCCOc1ccc(C2CC(=N)Oc3cc(N(C)C)ccc32)cc1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COC(C)CN(C)C(=O)CC1=NNC(=O)C2C=CC=CC12
BondNum,"There is a molecule with 16 single bonds, 1 double bond, 2 rotatable bonds, and 17 aromatic bonds.",O=C(NC1CCCc2ccccc21)N1CCN(c2cc[nH+]c3cc(Cl)ccc23)CC1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, and 4 halo groups.",O=C([O-])CC1CCN(c2ncc(-c3ccc4[nH+]cc(Cl)c(NC(c5ccccc5F)C(F)F)c4c3)cn2)CC1
AddComponent,Please add a benzene ring to the molecule O=C(NC(c1ccccc1)c1ccccc1)C1CC[NH+](Cc2ccc3ccccc3c2)CC1.,O=C(NC(c1ccccc1)c1ccccc1)C1CC[NH+](Cc2cc(-c3ccccc3)c3ccccc3c2)CC1
SubComponent,Please substitute a halo in the molecule Cc1cnc(Cl)nc1NCCCC1CC1 with a aldehyde.,CC(=O)c1ncc(C)c(NCCCC2CC2)n1
DelComponent,Remove a halo from the molecule CS(=O)(=O)N1CCCC1C(=O)N1CCN(c2nc3c(F)cccc3s2)CC1.,CS(=O)(=O)N1CCCC1C(=O)N1CCN(c2nc3ccccc3s2)CC1
LogP,Modify the molecule CCOc1cc(C(Cl)CCC(=O)[O-])ccc1O to have a higher LogP value.,CCOc1cc(C(Cl)CCC(=O)[O-])ccc1NO
MR,Modify the molecule C=CCNC(=O)C(C)[NH+]1CCCCC1C1CCCC1O to increase its MR value.,C=CCNC(=O)C(C)[NH+]1CCCCC1C1CCCC1S
QED,Optimize the molecule C[NH+](Cc1ccccn1)CC1(CS)CC1 to have a lower QED value.,C[NH+](Cc1ncccc1O)CC1(CS)CC1
AtomNum,"The molecule consists of 25 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cccc(C=C2Sc3ccc(C(=O)NC4CCCCC4C)cc3N(C)C2=O)c1
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CCn1cc(C(CNC(=O)c2ccccc2)N2CCC(c3ccccc3)=N2)c(C)n1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",COc1ccc(C(C[NH3+])c2[nH]cc[nH+]2)c(Cl)c1
AddComponent,Please add a hydroxyl to the molecule CC(C)Nc1cc[nH+]c(C(=O)Nc2c(Cl)cccc2Cl)c1.,CC(CO)Nc1cc[nH+]c(C(=O)Nc2c(Cl)cccc2Cl)c1
SubComponent,Please substitute a O=C(CCNC(=O)OCC(F)(F)F)Nc1ccc(F)c(Cl)c1 in the molecule halo with a carboxyl.,O=C(CCNC(=O)OCC(F)(F)C(=O)[OH])Nc1ccc(F)c(Cl)c1
DelComponent,Modify the molecule Brc1ccc(NCc2csnn2)nc1 by removing a amine.,Brc1ccc(Cc2csnn2)nc1
LogP,Modify the molecule CC(NC(=O)CC(C)(C)CC(=O)[O-])c1cc(F)ccc1F to have a higher LogP value.,CC(NC(=O)CC(C)(C)CC(=O)[O-])c1cc(S)ccc1F
MR,Modify the molecule COc1ccccc1C(=O)N(c1ccccc1)C(CS)C(=O)[O-] to have a lower MR value.,COc1ccccc1C(=O)N(c1ccccc1)C(C)C(=O)[O-]
QED,Modify the molecule O=C(CCn1cccn1)NCC[NH+](C1CCOCC1)C1CCN(C(=O)C2CC2)CC1 to increase its QED value.,O=C(C1CC1)N1CCC([NH+](CCCn2cccn2)C2CCOCC2)CC1
AtomNum,"The molecule contains 13 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 2 chlorine atoms.",Cc1cc(N)c(Cl)cc1Sc1cccc(Cl)c1
BondNum,"There is a molecule composed of 17 single bonds, 2 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",CC(C)[NH+](CCNC(=O)NCCC(=O)Nc1ccccc1)C1CC1
FunctionalGroup,"The molecule contains 1 amine group, 1 thioether group, and 2 sulfide groups.",CCCCCCCNc1nnc(SCCC)s1
AddComponent,Modify the molecule C=CCN1C(=O)C(CC(=O)c2ccc(Br)cc2)SC1=[NH+]c1ccc(F)cc1 by adding a benzene ring.,C=CCN1C(=O)C(CC(=O)c2ccc(Br)cc2-c2ccccc2)SC1=[NH+]c1ccc(F)cc1
SubComponent,Substitute a nitro in the molecule Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)C(Cc2ccccc2)C(=O)NC2CCCCC2)c1 with a halo.,Cc1cccc(CN(C(=O)CN(c2cccc(I=O)c2)S(=O)(=O)c2ccccc2)C(Cc2ccccc2)C(=O)NC2CCCCC2)c1
DelComponent,Modify the molecule amide by removing a CNC(=O)c1ccn(-c2ccc(C(=O)[O-])cc2N)n1.,Cn1n(-c2ccc(C(=O)[O-])cc2N)cc-1
LogP,Optimize the molecule CCC(CC)(C(=O)Cc1ccc(F)c(Br)c1)[NH+](C)C to have a lower LogP value.,CCC(CC)(C(=O)Cc1ccc(O)c(Br)c1)[NH+](C)C
MR,Please optimize the molecule CC(C)C1C(=O)C(C(N)=O)=C([O-])C2(O)C(=O)C3=C([O-])c4c(O)c(CC5CCCC5)cc(N(C)C)c4CC3CC12 to have a higher MR value.,CC(C)C1C(=O)C(C(N)=O)=C([O-])C2(S)C(=O)C3=C([O-])c4c(O)c(CC5CCCC5)cc(N(C)C)c4CC3CC12
QED,Please modify the molecule CN(C)S(=O)(=O)c1ccc(N2CCC(CNC(=O)Nc3ccccc3F)CC2)cc1 to increase its QED value.,CN(C)S(=O)(=O)c1ccc(N2CCC(CNC(=O)NF)CC2)cc1
AtomNum,"The molecule consists of 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",Cc1cc(C(=O)c2c[nH]c3cccc(Cl)c23)ccc1N
BondNum,"The molecule has 9 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",Nc1c(F)ccc(Nc2c(F)cc(F)cc2Cl)c1C(=O)[O-]
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 1 sulfone group.",CC(C)Oc1cccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)c1
AddComponent,Modify the molecule Cc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(N)=O)c2)c1 by adding a benzene ring.,Cc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(N)=O)c2-c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 with a nitrile.,Cc1ccc(N2C(=O)C(=Cc3cccc(C#N)c3)SC2=S)cc1
DelComponent,Modify the molecule amine by removing a CCc1nsc(Sc2ccc(C)cc2N)n1.,CCc1nsc(Sc2ccc(C)cc2)n1
LogP,Please modify the molecule COc1ccccc1-c1ccc(NC(=O)N2CC([NH+]3CCCCC3C)C2)cc1 to decrease its LogP value.,COc1ccccc1-c1ccc(NC(=O)N2CC(O)([NH+]3CCCCC3C)C2)cc1
MR,Optimize the molecule ON=Cc1cc(F)c(Cl)cc1F to have a higher MR value.,O=C([OH])N=Cc1cc(F)c(Cl)cc1F
QED,Please optimize the molecule Cc1cccc(-n2nc(-c3ccccc3)cc2OC(=O)c2cccs2)c1C to have a higher QED value.,CCn1nc(-c2ccccc2)cc1OC(=O)c1cccs1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1n[nH]c(C)c1CNC(=O)C1C2C=CC(C2)C1C(=O)[O-]
BondNum,"The molecule consists of 16 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",O=C1COc2ccc(C(=O)C=Cc3ccc(N4CCCCCC4)cc3)cc2N1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 2 ester groups, and 1 amide group.",CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)NN=Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)c(OC)c1
AddComponent,Add a benzene ring to the molecule COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(C)(C)Br.,COCCOCCOCCOCCOCCOCCOCCOCC(OCCOCCOC(=O)C(C)(C)Br)c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a Nc1nc(C(=NO)C(=O)NC2C(=O)N3C(C(=O)[O-])=C(C=CC4CC4)CSC23)cs1 with a nitro.,Nc1nc(C(=NNO)C(=O)NC2C(=O)N3C(C(=O)[O-])=C(C=CC4CC4)CSC23)cs1
DelComponent,Please remove a hydroxyl from the molecule CCC([NH2+]C(C)CCS(C)=O)c1cc(Br)ccc1O.,CCC([NH2+]C(C)CCS(C)=O)c1cccc(Br)c1
LogP,Please modify the molecule C=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCc1ccc(Cl)cc1 to decrease its LogP value.,C=CCc1cc(C=Nn2c(C)nc3ccccc3c2=O)cc(OCC)c1OCc1ccc(Cl)cc1
MR,Modify the molecule Cc1cc(Nc2ncnc3c2CN(SCC(F)(F)F)C3)c(=O)n2c1C(=O)NC21CCCCC1 to have a lower MR value.,Cc1cc(Nc2ncnc3c2CN(SCC(F)F)C3)c(=O)n2c1C(=O)NC21CCCCC1
QED,Please modify the molecule COC(=O)c1c(NC(=O)CCSc2nc3ccccc3c(=O)n2C)sc2c1CCCCCC2 to increase its QED value.,COC(=O)c1c(CSc2nc3ccccc3c(=O)n2C)sc2c1CCCCCC2
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CCc1nc(C)sc1Cn1ncc(N(C)C)cc1=O
BondNum,"There is a molecule composed of 10 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COc1cc(NC(=O)CNC(=O)C[NH3+])ccc1Br
FunctionalGroup,"There is a molecule consisting of 1 aldehyde group, 1 ester group, and 1 halo group.",CCOC(=O)c1nc2cccc(Cl)n2c1C=O
AddComponent,Add a nitrile to the molecule CCC(C)NC(=O)c1cc(Cl)ccc1NC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)NC(C)CC)c2C)CC1.,CCC(C)NC(=O)c1cc(Cl)ccc1NC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)NC(C)CC)c2C)CC1C#N
SubComponent,Please substitute a CC(C)[NH+](C)Cc1cccc(-c2nc(=O)cc(-c3ccccc3Cl)[nH]2)c1 in the molecule halo with a hydroxyl.,CC(C)[NH+](C)Cc1cccc(-c2nc(=O)cc(-c3ccccc3O)[nH]2)c1
DelComponent,Modify the molecule Nc1nc2ccc(Cl)cc2n1-c1cc(Cl)c(F)c(Cl)c1 by removing a halo.,Nc1nc2ccc(Cl)cc2n1-c1cc(Cl)cc(Cl)c1
LogP,Optimize the molecule O=c1cc(NC2CC(O)C2)cn[nH]1 to have a lower LogP value.,O=C(O)C1(O)CC(Nc2cn[nH]c(=O)c2)C1
MR,Modify the molecule OCc1ccc(OCc2ccc3ncccc3c2)c(Cl)c1 to have a lower MR value.,N#Cc1cc(CO)ccc1OCc1ccc2ncccc2c1
QED,Optimize the molecule O=C(C[NH+]1CCC(n2cc(Br)cn2)CC1)NC(=O)NC1CC1 to have a lower QED value.,O=C(C[NH+]1CCC(n2cc(S)cn2)CC1)NC(=O)NC1CC1
AtomNum,"The molecule contains 18 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 chlorine atoms.",N#Cc1cccnc1NCC1(c2ccc(Cl)cc2Cl)CCOCC1
BondNum,"There is a molecule consisting of 13 single bonds, 2 double bonds, 2 rotatable bonds, and 5 aromatic bonds.",CC(C)(C)N1C(=O)CC([NH3+])C1c1ccc([N+](=O)[O-])s1
FunctionalGroup,"There is a molecule with 1 amine group, and 1 sulfone group.",CCC[NH2+]CCCS(=O)(=O)NCC(C)(C)CCOC
AddComponent,Modify the molecule O=C([O-])c1ccc(CC(=CCc2ccc(O)cc2)c2ccccc2)cc1 by adding a hydroxyl.,O=C([O-])c1ccc(CC(=CCc2ccc(O)cc2)c2ccc(O)cc2)cc1
SubComponent,Please substitute a halo in the molecule CN(CCOCCO)c1ccccc1F with a nitrile.,CN(CCOCCO)c1ccccc1C#N
DelComponent,Please remove a benzene ring from the molecule COc1c(C)cc(C(Br)c2ccoc2Br)cc1C.,COCCC(Br)c1ccoc1Br
LogP,Please modify the molecule O=C(NC1CC1c1c(F)cccc1Cl)C1CCCN(C(=O)N2CCCC2)C1 to decrease its LogP value.,ONc1cccc(Cl)c1C1CC1NC(=O)C1CCCN(C(=O)N2CCCC2)C1
MR,Optimize the molecule C=CC[NH+]1C(CO)C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1CC(=O)NC(C)C(=O)OC(C)(C)C to have a lower MR value.,C=CC[NH+]1C(CO)C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1C(C)C(=O)OC(C)(C)C
QED,Modify the molecule CCCCCC(=O)N(n1c(=O)[nH]c2cc(C(F)F)c(-c3ccnn3C(C)C)cc2c1=O)S(C)(=O)=O to increase its QED value.,CCCC(n1c(=O)[nH]c2cc(C(F)F)c(-c3ccnn3C(C)C)cc2c1=O)S(C)(=O)=O
AtomNum,"The molecule consists of 16 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccsc1C(=O)C1C(=O)c2cccc(NC(N)=O)c2C1=O
BondNum,"The molecule contains 13 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCCCC1CC(c2ccc(Cl)cc2)[N+](C)(C)O1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,CC(C)OC(=O)Nc1ccc(NC(=O)OC(C)C)cc1
AddComponent,Add a hydroxyl to the molecule CCCn1nc(C)c(N)c1N(C)CC(C)C(=O)NC.,CCCn1nc(C)c(N)c1N(C)CC(C)C(=O)NCO
SubComponent,Modify the molecule CCCS(=O)(=O)Nc1nc(Oc2c(F)cccc2Cl)nc(-c2ccc(=O)n(C)c2)n1 by substituting a halo with a nitrile.,CCCS(=O)(=O)Nc1nc(Oc2c(Cl)cccc2C#N)nc(-c2ccc(=O)n(C)c2)n1
DelComponent,Please remove a amide from the molecule COC1(CC(=O)Nc2c(C)ccnc2Cl)CCC1.,COC1(c2c(C)ccnc2Cl)CCC1
LogP,Optimize the molecule CC(C)(C)c1ccc(C(=O)NC2CCCN(C(=O)N3CCN(c4ccccn4)CC3)C2)cc1 to have a lower LogP value.,CC(C)(C)C(=O)NC1CCCN(C(=O)N2CCN(c3ccccn3)CC2)C1
MR,Optimize the molecule COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5ccc(F)cc5)c(CCCCC(=O)[O-])cc4c3)CC2)cc1 to have a higher MR value.,COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5ccc(C#N)cc5)c(CCCCC(=O)[O-])cc4c3)CC2)cc1
QED,Please modify the molecule Cc1cc(CCC(C)(C)O)cc(C)c1-c1ccc(F)c2c1CCC2Oc1ccc2c(c1)OCC2CC(=O)[O-] to decrease its QED value.,Cc1cc(CCC(C)(C)O)cc(C)c1-c1ccc(C(=O)[OH])c2c1CCC2Oc1ccc2c(c1)OCC2CC(=O)[O-]
AtomNum,"The molecule is composed of 11 carbon atoms, 1 oxygen atom, and 1 iodine atom.",Cc1c(I)ccc2c1CC(=O)CC2
BondNum,"Please generate a molecule composed of 8 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Nc1cccnc1NCc1cccc(C(F)(F)F)c1
FunctionalGroup,"The molecule contains 3 halo groups, and 1 sulfide group.",Cc1nnc2n1CC(C(=O)[O-])[NH+](Cc1cscc1C(F)(F)F)C2
AddComponent,Modify the molecule Cc1cc(F)cc(NS(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)c1 by adding a amine.,Cc1cc(F)c(N)c(NS(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)c1
SubComponent,Please substitute a CC(c1cccc(Cl)c1)[NH+]1CCC([NH3+])CC1 in the molecule halo with a hydroxyl.,CC(c1cccc(O)c1)[NH+]1CCC([NH3+])CC1
DelComponent,Remove a amide from the molecule CC(C)NC(=O)N1CCCC(NC(=O)C(C)(C)C(C)C)C1.,CC(C)NC(=O)N1CCCC(C)(C(C)(C)C)C1
LogP,Modify the molecule CN(C)c1ccc(C=Cc2ccn(CCCO)c(=O)c2)cc1 to have a lower LogP value.,CN(C)C=Cc1ccn(CCCO)c(=O)c1
MR,Modify the molecule O=C([O-])C(Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)C1(C(=O)N2CCCCC2)CC1 to have a higher MR value.,CC(=O)c1cccc(Cl)c1COc1ccc(CC(NC(=O)C2(C(=O)N3CCCCC3)CC2)C(=O)[O-])cc1
QED,Modify the molecule Cc1cccc(N2C(=O)C(c3cccs3)=C([NH+](C)CCO)C2=O)c1C to have a lower QED value.,Cc1cccc(N2C(=O)C(c3cccs3)=C([NH+](C)CCC(=O)[OH])C2=O)c1C
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCOc1ccc(OCC)c(C(C)=NNC(=S)NC(C)C)c1
BondNum,"Please generate a molecule composed of 12 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cc(C)cc(C[NH+]2CCCCC2C(N)=S)c1
FunctionalGroup,There is a molecule consisting of and 1 amide group.,C=CCC(=O)N1CCCC1C=C
AddComponent,Please add a hydroxyl to the molecule C[NH2+]C(Cc1ccc(F)c(Br)c1)C1CCc2ccccc21.,C[NH2+]C(Cc1cc(Br)c(F)cc1O)C1CCc2ccccc21
SubComponent,Modify the molecule halo by substituting a COc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)c3ccno3)nc12 with a aldehyde.,CC(=O)c1ccc(OC)c2nc(N(CCC[NH+](C)C)C(=O)c3ccno3)sc12
DelComponent,Remove a O=S(=O)(NC1C=CCCC1)c1ccc(Br)o1 from the molecule amine.,O=S(=O)(c1ccc(Br)o1)C1C=CCCC1
LogP,Please optimize the molecule CC1CCC([NH2+]Cc2ccc(O)c(F)c2)C1 to have a lower LogP value.,CC1CCC([NH2+]Cc2ccc(O)c(C#N)c2)C1
MR,Modify the molecule COc1ccc(NC(=O)Cc2nnc(SCc3nc(=O)c4ccccc4[nH]3)n2C)cc1 to decrease its MR value.,COc1ccc(-c2nnc(SCc3nc(=O)c4ccccc4[nH]3)n2C)cc1
QED,Please modify the molecule CCC(C)C(NC(=O)C1CCCCN1C(C)=O)C(=O)NC(CC(OC(C)=O)c1nc(C(=O)NC(Cc2ccccc2)CC(C)C(=O)[O-])cs1)C(C)C to increase its QED value.,CCC(C)C(CC(OC(C)=O)c1nc(C(=O)NC(Cc2ccccc2)CC(C)C(=O)[O-])cs1)(NC(=O)C1CCCCN1C(C)=O)C(C)C
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 2 fluorine atoms, and 1 chlorine atom.",O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc(OC(F)F)cc1
BondNum,"The molecule consists of 9 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",NNC(Cc1cccc(Cl)c1Cl)c1c(F)cccc1F
FunctionalGroup,There is a molecule consisting of and 1 amide group.,Cc1cc(N2CCC(NC(=O)N3CCC4(CC[NH2+]CC4)CC3)C2=O)n(C)n1
AddComponent,Please add a hydroxyl to the molecule O=C(NCC1CC1)C1CCCN(C(=O)C2(O)CCCC2)C1.,O=C(NCC1CC1)C1CCCN(C(=O)C2(O)CCC(O)C2)C1
SubComponent,Please substitute a CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCc1ccccc1Br in the molecule halo with a thiol.,CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(S)c1OCc1ccccc1Br
DelComponent,Please remove a Cc1ccc(CN(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 from the molecule halo.,Cc1ccc(CN(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1
LogP,Modify the molecule COCCCNC(=O)CN(C)C(=O)c1cn(C)nc1C(F)(F)F to have a lower LogP value.,COCCCNC(=O)CN(C)C(=O)c1cn(C)nc1C(F)F
MR,Modify the molecule CC[NH+](CC)CCOc1cc(NC(=O)NCCC2=CCCCC2)ccc1OC to have a lower MR value.,CC[NH+](CC)CCON(OC)C(=O)NCCC1=CCCCC1
QED,Please optimize the molecule Cc1cc(C)cc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)c1 to have a higher QED value.,Cc1cc(C)cc(NC(=O)CCc2ncc(Br)o2)c1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 5 oxygen atoms, 1 sulfur atom, and 4 chlorine atoms.",O=S(=O)([O-])C(c1cccc(O)c1)(c1cccc(Cl)c1Cl)c1c(Cl)cc(O)cc1Cl
BondNum,"Please generate a molecule with 15 single bonds, 4 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)SC1=[NH+]c1cccc(C(=O)[O-])c1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 7 halo groups.",C=C(OC1(C2CCC(CO[Si](C)(C)C(C)(C)C)C2)CCCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
AddComponent,Modify the molecule O=C1C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 by adding a amine.,NC1COC2(CCN(c3nc4ccccn4c(=O)c3C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)CC2)O1
SubComponent,Substitute a halo in the molecule C=CCCC([NH2+]C)c1ccc(OC(F)(F)F)cc1 with a nitro.,C=CCCC([NH2+]C)c1ccc(OC(F)(F)NO)cc1
DelComponent,Modify the molecule benzene ring by removing a Nc1cn(-c2ccccc2[N+](=O)[O-])nc1-c1ccsc1.,Nc1cn([N+](=O)[O-])nc1-c1ccsc1
LogP,Modify the molecule COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCC[NH+](C)CCO to decrease its LogP value.,COc1cc2c(-c3c(F)ccc(O)c3C)ncnc2cc1OCC[NH+](C)CCO
MR,Modify the molecule O=C(NNS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 to have a lower MR value.,O=C(NNS(=O)(=O)c1c(O)cccc1Cl)c1ccc2c(c1)OCO2
QED,Modify the molecule CCCCCc1c(C)nn(C)c1Oc1cc(O)c(Cl)cc1Cl to decrease its QED value.,CCCCCc1c(C)nn(C)c1Oc1ccc(Cl)cc1Cl
AtomNum,"There is a molecule composed of 17 carbon atoms, 2 oxygen atoms, 2 fluorine atoms, and 1 boron atom.",BC(C)c1oc2cccc(F)c2c(=O)c1-c1cccc(F)c1
BondNum,"The molecule is composed of 14 single bonds, 2 double bonds, and 2 rotatable bonds.",CC(=O)NNC(=O)C[NH+]1CCCCCCC1
FunctionalGroup,"Please generate a molecule composed of 1 halo group, and 1 sulfide group.",CCCc1nc(Cl)cc(-c2csc(C)c2)n1
AddComponent,Add a benzene ring to the molecule CCCCCOc1cnc(-c2ccc(OC(=O)CCC(C)CC)cc2)nc1.,CCCCCOc1cnc(-c2ccc(OC(=O)CCC(CC)Cc3ccccc3)cc2)nc1
SubComponent,Modify the molecule halo by substituting a CC1OCCCC1I with a nitro.,CC1OCCCC1NO
DelComponent,Please remove a benzene ring from the molecule O=C(CNc1cccc(C(=O)c2ccccc2)c1)c1ccc(F)cc1.,O=C(CNC(=O)c1ccccc1)c1ccc(F)cc1
LogP,Modify the molecule O=C(OCc1ccccc1)OCC(O)C(O)C(O)CO to increase its LogP value.,O=C(OCc1ccccc1)OCC(O)C(O)C(O)C(O)c1ccccc1
MR,Modify the molecule CCC1(CNS(=O)(=O)c2c(N)ccc(C)c2C)CCCC1 to decrease its MR value.,CCC1(CS(=O)(=O)c2c(N)ccc(C)c2C)CCCC1
QED,Please modify the molecule COC1CCN(S(=O)(=O)c2cc(N)ccc2F)CC1 to decrease its QED value.,COC1CCN(S(=O)(=O)c2c(F)ccc(N)c2C#N)CC1
AtomNum,"The molecule contains 16 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CC(=O)Nc1ccc(Nc2nc(-c3ccccn3)cs2)cc1
BondNum,"The molecule consists of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CCC1CCN(C(=O)Nc2c(F)cccc2C(=O)[O-])CC1
FunctionalGroup,"The molecule has 1 halo group, and 2 sulfide groups.",[NH3+]CCCc1nc(-c2csc(Cl)c2)cs1
AddComponent,Please add a benzene ring to the molecule CC(C)n1c(=O)c2nscc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O.,CC(Cc1ccccc1)n1c(=O)c2nscc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O
SubComponent,Substitute a nitrile in the molecule N#CC1(c2ccc(CCC3(C4CCCC4)CC([O-])=C(Cc4nc5ncc(Cl)cn5n4)C(=O)O3)cc2Cl)CC1 with a halo.,O=C1OC(CCc2ccc(C3(F)CC3)c(Cl)c2)(C2CCCC2)CC([O-])=C1Cc1nc2ncc(Cl)cn2n1
DelComponent,Remove a amine from the molecule COc1ccc(Cl)cc1NCCC(=O)Nc1ccn(C)n1.,COc1ccc(Cl)cc1CCC(=O)Nc1ccn(C)n1
LogP,Please optimize the molecule CC(=O)N(CC(=O)Nc1ccccc1Br)c1ccc(C)cc1C to have a lower LogP value.,CC(=O)N(CC(=O)Nc1ccccc1C(=O)[OH])c1ccc(C)cc1C
MR,Please modify the molecule C[NH+]1CCC(Nc2ccccc2NC(=O)COC2CCCCC2)CC1 to decrease its MR value.,C[NH+]1CCC(Nc2ccccc2OC2CCCCC2)CC1
QED,Please optimize the molecule CCCCC(F)CC(=CC1C(C)CC2OC(=O)CC21)OC1CCCCO1 to have a higher QED value.,CCCCC(C#N)CC(=CC1C(C)CC2OC(=O)CC21)OC1CCCCO1
AtomNum,"There is a molecule composed of 32 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)c1ccc(N2C(=O)CC(Sc3nc(-c4ccccc4)cc(-c4ccc(OC)cc4)c3C#N)C2=O)cc1
BondNum,"There is a molecule consisting of 25 single bonds, 3 double bonds, 8 rotatable bonds, and 5 aromatic bonds.",CC(O)CCCN(C(=O)C1CCC(C)CC1)c1cc(C2CCC(=O)CC2)sc1C(=O)[O-]
FunctionalGroup,"The molecule has 4 benzene ring groups, 5 amide groups, and 1 halo group.",COc1ccc(C(=O)Nc2cc(NC(=O)CNC(=O)C3CC[NH+](CC(=O)Nc4ccc(C(=O)Nc5ccc(F)cc5C)cc4C)CC3)ccc2C)cc1
AddComponent,Please add a hydroxyl to the molecule C=CCC1CCCC(CC(CCC)OCc2ccccc2)N1C(=O)OC.,C=CCC1CCCC(CC(CCCO)OCc2ccccc2)N1C(=O)OC
SubComponent,Substitute a CC(C)(C)c1ccc(S(=O)(=O)C(C#N)=C(S)Nc2ccccc2)cc1 in the molecule nitrile with a aldehyde.,CC(=O)C(=C(S)Nc1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
DelComponent,Please remove a amine from the molecule CC1(C)CC(CC2CCCCC2)OS(=O)(=O)N1.,CC1(C)CC(CC2CCCCC2)OS1(=O)=O
LogP,Please modify the molecule CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C1CCCN1C(=O)C([NH3+])CC(=O)[O-])C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)[O-] to increase its LogP value.,CCC(C)C(NC(=O)C(Cc1ccc(F)cc1)NC(=O)CNC(=O)C1CCCN1C(=O)C([NH3+])CC(=O)[O-])C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)[O-]
MR,Modify the molecule CC1OCCC1CNC(=O)c1ccc(Br)c(N)c1 to have a higher MR value.,Nc1cc(C(=O)NCC2CCOC2Cc2ccccc2)ccc1Br
QED,Optimize the molecule CC(C)(C)c1cc(C[NH3+])cc(Oc2ccc(Cl)cc2Br)n1 to have a higher QED value.,CC(C)(C)c1cc(C[NH3+])cc(Oc2ccc(C#N)cc2Br)n1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC(=O)c1ccc(OCCCC[NH+]2CCCC(C)C2)cc1
BondNum,"The molecule contains 21 single bonds, 2 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",Cc1c(Cl)cccc1N(CC(=O)NCC[NH2+]C(C)C)CC(=O)N(C)N1Cc2ccccc2C1
FunctionalGroup,Please generate a molecule with and 2 nitrile groups.,N#Cc1ccnc(-c2cc(C#N)cc(-c3cc(C(=O)[O-])ccn3)n2)c1
AddComponent,Modify the molecule Cc1cccc(C)c1-n1nnnc1SCC(=O)NCC(C)(C)[NH+]1CCOCC1 by adding a amine.,Cc1cccc(C)c1-n1nnnc1SCC(=O)NCC(C)(C)[NH+]1CCOC(N)C1
SubComponent,Please substitute a C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)NCCC(C)C in the molecule halo with a nitro.,C[NH+]=C(NCCc1nc(C(F)(F)NO)cs1)NCCC(C)C
DelComponent,Modify the molecule C[NH2+]C(C)C(=O)NC(C(=O)NC1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 by removing a benzene ring.,C[NH2+]C(C)C(=O)NC(C(=O)NC1CCC[NH+](C)C1)C1CCCCC1
LogP,Please modify the molecule Cc1c(C2C(C(=O)NC3CCC(F)(F)CC3)CC(=O)N2C)cnn1C to decrease its LogP value.,Cc1c(C2C(C(=O)NC3CCC(F)CC3)CC(=O)N2C)cnn1C
MR,Modify the molecule C[NH2+]C1CCCC1Cc1c(C)[nH]c2cc(C)ccc12 to have a higher MR value.,C[NH2+]C1CC(O)CC1Cc1c(C)[nH]c2cc(C)ccc12
QED,Optimize the molecule Cc1noc(-c2ccc(Br)cc2)c1C(C=O)Sc1ccccc1 to have a higher QED value.,Cc1noc(-c2ccc(Br)cc2)c1C(Sc1ccccc1)C(=O)O
AtomNum,"There is a molecule with 17 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)C1CCN(c2ccc(NS(=O)(=O)CC)cc2C(=O)[O-])CC1
BondNum,"There is a molecule consisting of 11 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CCC(C)OCCOc1ccc(C(N)=[NH+]O)cc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 2 amine groups, 1 nitro group, and 2 halo groups.",Cc1cc(Br)c(Nc2ccc([N+](=O)[O-])c(N)c2)cc1Cl
AddComponent,Add a benzene ring to the molecule COCCC1(C[NH2+]C(C)(C)C)CC2CCC1C2.,COCCC1(C[NH2+]C(C)(C)C)CC2CC(c3ccccc3)C1C2
SubComponent,Substitute a halo in the molecule COC(=O)NC1CCN(Br)CC1 with a hydroxyl.,COC(=O)NC1CCN(O)CC1
DelComponent,Please remove a COc1ccc(C2=[NH+]C(=Cc3ccc(OC)cc3OC)C(=O)N2c2ccc(C)cc2)cc1 from the molecule amine.,COc1ccc(C2C(=Cc3ccc(OC)cc3OC)C(=O)N2c2ccc(C)cc2)cc1
LogP,Modify the molecule C=CCC(C)(C=O)C(=O)OCC to have a higher LogP value.,C=C(CC(C)(C=O)C(=O)OCC)c1ccccc1
MR,Please modify the molecule Cc1cc2[nH]c(=S)oc2cc1C(O)c1ccccc1 to increase its MR value.,Cc1cc2[nH]c(=S)oc2cc1C(S)c1ccccc1
QED,Modify the molecule COCC1(C(=O)Nc2ccccc2Br)CC[NH2+]CC1 to decrease its QED value.,COCC1(C(=O)Nc2ccccc2O)CC[NH2+]CC1
AtomNum,"The molecule is composed of 17 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 chlorine atoms.",C[NH+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(Cl)c1Cl
BondNum,"Please generate a molecule composed of 8 single bonds, 5 rotatable bonds, and 15 aromatic bonds.",CCc1cc(C([NH3+])Cc2nc3ccccc3s2)n(CC)n1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, and 1 halo group.",C[NH+](C)C(CNC(=O)C#Cc1cccc(Cl)c1)c1ccccc1
AddComponent,Please add a thiol to the molecule CC(=O)N1CCc2cc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)ccc21.,CC(=O)N1CCc2cc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)c(S)cc21
SubComponent,Please substitute a halo in the molecule COc1ccc(Cn2cc(Br)cn2)cc1N with a carboxyl.,COc1ccc(Cn2cc(C(=O)[OH])cn2)cc1N
DelComponent,Remove a COc1ccc(C)cc1NC(=O)CN1C(=O)C(C)Oc2ccc(C(=O)[O-])cc21 from the molecule benzene ring.,COCNC(=O)CN1C(=O)C(C)Oc2ccc(C(=O)[O-])cc21
LogP,Modify the molecule O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] to decrease its LogP value.,CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-]
MR,Please modify the molecule COc1ccc(CCNC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 to decrease its MR value.,COCCNC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1
QED,Modify the molecule CC(=O)N1Cc2ccccc2OC2(CCCN(C(=O)c3nn(C)cc3Cl)C2)C1 to increase its QED value.,CC(=O)N1Cc2ccccc2OC2(CCCN(C(=O)c3ccn(C)n3)C2)C1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1[nH]n(C)c(=O)c1C(=O)c1ccc(S(C)(=O)=O)c(-c2ccon2)c1Cl
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",CCOC(=O)Cn1c2c(c3cc(C)ccc31)CN(C(=O)c1ccccc1)CCC2
FunctionalGroup,"Please generate a molecule composed of 1 ester group, 1 amide group, and 1 halo group.",CCCn1cc(Br)cc1C(=O)N1CCCC1C(=O)OCC
AddComponent,Modify the molecule Cc1c(SCCCSc2n[nH]c(N)n2)ccnc1CSc1nc2ccccc2[nH]1 by adding a carboxyl.,Cc1c(SCC(CSc2n[nH]c(N)n2)C(=O)O)ccnc1CSc1nc2ccccc2[nH]1
SubComponent,Modify the molecule hydroxyl by substituting a O=C1C2C(CO)C2C(=O)N1Cc1ccc(C(F)(F)F)cc1 with a carboxyl.,O=C([OH])CC1C2C(=O)N(Cc3ccc(C(F)(F)F)cc3)C(=O)C12
DelComponent,Please remove a benzene ring from the molecule COc1cc(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OC(C)=O.,COC(OC(C)=O)=C(C#N)C(=O)Nc1ccc2ccccc2c1
LogP,Please optimize the molecule COc1ccc2c(COC(=O)COc3ccc(Cl)cc3Cl)cc(=O)oc2c1 to have a lower LogP value.,COc1ccc2c(COC(=O)COc3ccccc3Cl)cc(=O)oc2c1
MR,Please modify the molecule CCCNC(=O)CNC(=O)COc1cc(Cl)ccc1Cl to decrease its MR value.,CCCNC(=O)CNC(=O)COc1cccc(Cl)c1
QED,Modify the molecule Cc1nn(C(C)C)c(NC(C)CCC(=O)[O-])c1[N+](=O)[O-] to decrease its QED value.,Cc1nn(C(C)C)c(C(C)CCC(=O)[O-])c1[N+](=O)[O-]
AtomNum,"There is a molecule with 15 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",C[NH+](C)CCCOc1cccc(CC(C)(C)C)n1
BondNum,"Please generate a molecule with 20 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CC(C)(C)NC(=O)C[NH+]1CCCN(Cc2nc(C3CC3)no2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, and 1 sulfone group.",Cc1ccc(C)c(S(=O)(=O)NCc2nccc(N3CCCC3)n2)c1
AddComponent,Modify the molecule CCN(CC)C(=O)CCNC(=O)NC(CCOC)C(=O)[O-] by adding a hydroxyl.,CCN(CC)C(=O)CCNC(=O)NC(O)(CCOC)C(=O)[O-]
SubComponent,Modify the molecule CC[NH+](CC)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(C(=O)NCC[NH+](CC)CC)cc1S(=O)(=O)NC
DelComponent,Modify the molecule benzene ring by removing a CCc1cc(C(C)(O)C[NH+]2CCN(c3ccc(OCCO)cc3Cl)C(c3ccc(Cl)cc3)C2)ccn1.,CCc1cc(C(C)(O)C[NH+]2CCN(c3ccc(OCCO)cc3Cl)C(Cl)C2)ccn1
LogP,Modify the molecule C[NH2+]CCN1CCC(c2cc(NC3CCCC3)c(C=N)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2)CC1 to have a higher LogP value.,C[NH2+]CCN1CCC(c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C=N)c(C3CCCC3)c2)CC1
MR,Optimize the molecule CC(C)C1(C(=O)Cc2c(F)ccc(Br)c2F)CC[NH2+]C1 to have a higher MR value.,CC(C)C1(C(=O)Cc2c(C#N)ccc(Br)c2F)CC[NH2+]C1
QED,Please modify the molecule CCOc1ccccc1NC(=O)c1cc(Br)cnc1NC to increase its QED value.,CCOc1ccccc1-c1(NC)ncc(Br)c-1
AtomNum,"The molecule has 17 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC(=O)c1cccc(OC(C)C(=O)N2CCCCCC2)c1
BondNum,"Please generate a molecule composed of 9 single bonds, 3 double bonds, 6 rotatable bonds, and 21 aromatic bonds.",CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccccc3s2)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 3 halo groups, and 1 sulfide group.",CCC[NH2+]C(Cc1cc(F)ccc1Cl)c1sccc1Cl
AddComponent,Modify the molecule Cc1cnc(Nc2nc(C(F)(F)F)ccc2C(N)=O)s1 by adding a hydroxyl.,NC(=O)c1ccc(C(F)(F)F)nc1Nc1ncc(CO)s1
SubComponent,Modify the molecule halo by substituting a [NH3+]CC(C(=O)[O-])c1cc(O)c(F)cc1F with a nitro.,[NH3+]CC(C(=O)[O-])c1cc(O)c(NO)cc1F
DelComponent,Please remove a amine from the molecule CCNc1cc(CC(C)C)nc(-c2cc(Br)c(C)s2)n1.,CCc1cc(CC(C)C)nc(-c2cc(Br)c(C)s2)n1
LogP,Optimize the molecule CCNC(NCCc1nc(C(F)(F)F)cs1)=[NH+]Cc1ccc(O)c(F)c1 to have a higher LogP value.,CCNC(NCCc1nc(C(F)(F)F)cs1)=[NH+]Cc1ccc(C#N)c(F)c1
MR,Modify the molecule Cc1cc(C)c(C(Cl)c2cccc(OC(F)F)c2)s1 to have a lower MR value.,Cc1cc(C)c(C(Cl)c2cccc(OCF)c2)s1
QED,Modify the molecule CCC(C)C1CCCCN1C(=O)C1CC12CCS(=O)(=O)CC2 to decrease its QED value.,CCC(C)C1(CC2CCS(=O)(=O)CC2)CCCC1
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",C=C1C(c2ccccn2)=C(CN(C)c2ccc(OC)cc2)C1c1ccccn1
BondNum,"The molecule contains 14 single bonds, and 2 double bonds.",CC1=C2CCC(C)C=C2C(C)(C)CCC1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 hydroxyl group, 2 ester groups, and 1 amine group.",COC(=O)C1C(=NNc2ccccc2)CC(C)(O)C(C(=O)OC)C1c1ccccc1
AddComponent,Add a benzene ring to the molecule O=C(c1cc(C(F)F)[nH]n1)N1CCCC(c2ccn(CCO)n2)C1.,O=C(c1cc(C(F)F)[nH]n1)N1CC(c2ccn(CCO)n2)CCC1c1ccccc1
SubComponent,Please substitute a O=C([O-])C(F)=C1CC[NH+](C2CC2)CC1 in the molecule halo with a aldehyde.,CC(=O)C(C(=O)[O-])=C1CC[NH+](C2CC2)CC1
DelComponent,Remove a FCc1coc2cc(Br)ccc12 from the molecule halo.,FCc1coc2ccccc12
LogP,Modify the molecule N#Cc1ccc2[nH]c3c(c2c1)CC(NC(=O)C1CC1)C3 to have a higher LogP value.,CC(=O)c1ccc2[nH]c3c(c2c1)CC(NC(=O)C1CC1)C3
MR,Please optimize the molecule Cc1c(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4cc(F)ccc4F)c3C)CC2)cccc1C(=O)NC1CCCC1 to have a higher MR value.,CC(=O)c1ccc(F)c(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)Nc4cccc(C(=O)NC5CCCC5)c4C)CC3)c2C)c1
QED,Please modify the molecule Cc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC3(C)CCNC3=O)c2)cn1 to increase its QED value.,CCCOc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2cnc(C)cn2)c1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",C=CCNC(=O)C(=O)Nc1cccc2[nH]ccc12
BondNum,"There is a molecule consisting of 3 single bonds, 1 double bond, 1 rotatable bond, and 17 aromatic bonds.",O=c1nc(-c2ccccc2O)oc2cc(Cl)ccc12
FunctionalGroup,The molecule consists of and 1 benzene ring group.,C[NH+](C)C=C(C(=O)[O-])c1ccccc1
AddComponent,Please add a benzene ring to the molecule O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1-c1cccs1)-c1ccc(O)cc1CC2.,O=C(Cc1ccc2cc(-c3ccccc3)ccc2c1)Nc1nc2c(nc1-c1cccs1)-c1ccc(O)cc1CC2
SubComponent,Please substitute a COCCN1C(=O)Cc2ccccc2C1C(=O)NCc1cc(F)ccc1F in the molecule halo with a thiol.,COCCN1C(=O)Cc2ccccc2C1C(=O)NCc1cc(S)ccc1F
DelComponent,Please remove a amide from the molecule O=C(c1cccc(-n2cccn2)n1)N1CCCC2(CCCCC2)CC1.,c1cnn(-c2ccc3CCC4(CCCCC4)CCCn2-3)c1
LogP,Please modify the molecule O=C(CCCOc1cccc2ccccc12)NCc1ccccc1F to decrease its LogP value.,O=C(CCCOc1cccc2ccccc12)NCc1ccccc1
MR,Modify the molecule OCc1c(-c2ccccc2)noc1-c1cc(Br)ccc1F to increase its MR value.,ONCc1c(-c2ccccc2)noc1-c1cc(Br)ccc1F
QED,Optimize the molecule COCCn1c(SCC(=O)N(C)Cc2cccs2)nc2cc(Cl)ccc2c1=O to have a higher QED value.,COCCn1c(SCC(=O)N(C)Cc2cccs2)nc2ccccc2c1=O
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",CC(C)C[NH2+]Cc1cccc(Cl)c1N1CCOCC1
BondNum,"The molecule is composed of 14 single bonds, 1 double bond, 8 rotatable bonds, and 11 aromatic bonds.",CCNC(=[NH+]CCCOc1ccccc1C)N(C)Cc1cnn(C)c1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 halo group.",O=C(CCl)Nc1cc(-c2ccco2)on1
AddComponent,Please add a benzene ring to the molecule CC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1.,CC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC(c3ccccc3)C2)c1
SubComponent,Substitute a hydroxyl in the molecule CCC(C)(C)C1CCC([NH2+]Cc2cccc(F)c2O)CC1 with a halo.,CCC(C)(C)C1CCC([NH2+]Cc2cccc(F)c2I)CC1
DelComponent,Please remove a benzene ring from the molecule COC(=O)COc1c(I)cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1OC.,COC(=O)COc1c(I)cc(C=C2SC(=O)N(CC(=O)Cl)C2=O)cc1OC
LogP,Please modify the molecule COc1ccc(C2=C(c3ccc(OC)cc3)C3(c4ccccc4)C(=O)C2(c2ccccc2)C2C(=O)N(c4ccccc4I)C(=O)C23)cc1 to decrease its LogP value.,COc1ccc(C2=C(c3ccc(OC)cc3)C3(c4ccccc4)C(=O)C2(c2ccccc2)C2C(=O)N(I)C(=O)C23)cc1
MR,Please modify the molecule O=S(=O)([O-])c1c(Br)ccc2cnccc12 to decrease its MR value.,N#Cc1ccc2cnccc2c1S(=O)(=O)[O-]
QED,Please modify the molecule CC(=O)C1C(c2ccccc2)C(C#N)([N+](=O)[O-])C2c3ccccc3C=CN12 to increase its QED value.,CC(=O)C1C(c2ccccc2O)C(C#N)([N+](=O)[O-])C2c3ccccc3C=CN12
AtomNum,"The molecule is composed of 20 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",COC(=O)C1=C(C)NC(=S)NC1c1ccc(OCc2ccccc2)c(Br)c1
BondNum,"There is a molecule consisting of 25 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",CC(C)(C)c1nnc(N2CCOC(C3CCCCC3)C2)n1CC1CCCO1
FunctionalGroup,"The molecule has 3 benzene ring groups, 1 amide group, and 1 halo group.",O=C1C(Cc2ccccc2)N=C(c2ccccc2)c2cc(Cl)ccc2N1Cc1ccccc1
AddComponent,Please add a benzene ring to the molecule C[NH+]=C(NCCCCOCCc1ccccc1)NC1CC[NH+](Cc2ccccc2)C(C)C1.,C[NH+]=C(NCCC(COCCc1ccccc1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)C(C)C1
SubComponent,Please substitute a halo in the molecule CC(F)(F)c1ccc(CCC2([NH3+])CC2)c(Cl)c1 with a nitrile.,CC(F)(C#N)c1ccc(CCC2([NH3+])CC2)c(Cl)c1
DelComponent,Please remove a halo from the molecule CC(CCn1c(CCl)nc2ccc(Br)cc21)S(C)=O.,CC(CCn1c(CCl)nc2ccccc21)S(C)=O
LogP,Optimize the molecule COc1ccccc1C=CC=Nn1c(Cc2cccc3ccccc23)n[nH]c1=S to have a lower LogP value.,COC=CC=Nn1c(Cc2cccc3ccccc23)n[nH]c1=S
MR,Modify the molecule COc1ccc(C=C(C#N)C(=O)Nc2ccccc2C)cc1OCc1ccc(Cl)cc1 to have a lower MR value.,COc1ccc(C=C(C#N)C(=O)Nc2ccccc2C)cc1OCCl
QED,Optimize the molecule COCCOc1nc(N)nc2ccc(-c3ccc(N)cc3)cc12 to have a higher QED value.,COCCOc1nc(N)nc2ccc(N)cc12
AtomNum,"The molecule is composed of 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",CN1c2ccc(N)cc2N(CCF)C(=O)C12CCCC2
BondNum,"The molecule is composed of 16 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCN(C(=O)C1CC1C(=O)Nc1ccccc1C(F)(F)F)c1cccc(C)c1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 2 amine groups, and 1 halo group.",Cc1ccc(Cl)cc1NC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O
AddComponent,Please add a aldehyde to the molecule CCCCC(O)Cn1cc2c(n1)CCc1c-2sc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12.,CCCCC(O)Cn1nc2c(c1CC=O)-c1sc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c1CC2
SubComponent,Substitute a O=[N+]([O-])c1cccc2c1NC(CO)CC2 in the molecule nitro with a thiol.,O=[SH]c1cccc2c1NC(CO)CC2
DelComponent,Modify the molecule CC(C)c1cc(C(=O)Cc2ccc(C(=O)[O-])c(O)c2)sc1C(C)C by removing a benzene ring.,CC(C)c1cc(C(=O)COC(=O)[O-])sc1C(C)C
LogP,Modify the molecule O=C1C[NH2+]CCN1CCc1ccc(Cl)cc1Cl to decrease its LogP value.,N#Cc1ccc(CCN2CC[NH2+]CC2=O)c(Cl)c1
MR,Optimize the molecule COc1ccccc1OCC(=O)NCC1CCC(O)CC1 to have a higher MR value.,O=C(O)COc1ccccc1OCC(=O)NCC1CCC(O)CC1
QED,Modify the molecule CN1C(=O)Cc2cc(C(=O)COC(=O)C=Cc3ccsc3)ccc21 to decrease its QED value.,CN1C(=O)Cc2cc(C(=O)COC(=O)C=C(C(=O)O)c3ccsc3)ccc21
AtomNum,"The molecule has 26 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",O=C(NCc1ccccc1)c1ccc(CSc2nc(Cl)cc(N3CCC4(CC3)OCCO4)n2)cc1
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",NC(=[NH+]O)c1cccc(CNc2ccccc2Cl)c1F
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amide groups, and 1 halo group.",O=C1COc2ccccc2N1CC(=O)N(Cc1ccc(F)cc1)C1CC1
AddComponent,Modify the molecule CC(C)NC(=O)c1csc(-c2ccccn2)n1 by adding a amine.,CC(CN)NC(=O)c1csc(-c2ccccn2)n1
SubComponent,Please substitute a CCOc1ccc(NC(=O)C2(C(N)=[NH+]O)CC(C)C2)cc1 in the molecule hydroxyl with a aldehyde.,CC(=O)[NH+]=C(N)C1(C(=O)Nc2ccc(OCC)cc2)CC(C)C1
DelComponent,Modify the molecule COC(=O)CC([NH3+])C(O)c1ccc(OC)c(C)c1 by removing a hydroxyl.,COC(=O)CC([NH3+])Cc1ccc(OC)c(C)c1
LogP,Optimize the molecule CSc1cccc(NC(=O)C(C)[NH+]2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1 to have a lower LogP value.,CSc1cccc(NC(=O)C(C)[NH+]2CCN(S(=O)(=O)c3cc(O)ccc3F)CC2)c1
MR,Please modify the molecule O=S(=O)(Nc1ccc(Br)cc1Cl)c1ccc(F)cc1 to increase its MR value.,O=S(=O)(Nc1ccc(Br)cc1Cl)c1ccccc1
QED,Please optimize the molecule COc1ccc(Br)cc1NS(=O)(=O)CC1CCCCC1 to have a lower QED value.,COc1ccc(S)cc1NS(=O)(=O)CC1CCCCC1
AtomNum,"There is a molecule with 17 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",CCc1cc(O)cc(O)c1C(=O)NNC(=O)Cc1cccc(O)c1
BondNum,The molecule contains 14 single bonds.,CC1CCCC2(CCC[NH2+]C2)CC1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 4 halo groups.",Cc1cc(OCCCC(=O)Nc2ccc(Br)cc2F)c(Br)c(C)c1Cl
AddComponent,Please add a benzene ring to the molecule Cc1nn(C)c(NCc2cccc(OC3CCCCC3)c2)c1[N+](=O)[O-].,Cc1nn(C)c(NCc2cccc(OC3CCCC(c4ccccc4)C3)c2)c1[N+](=O)[O-]
SubComponent,Please substitute a nitrile in the molecule Cc1ccnc(N(CC(N)=O)C(C)C)c1C#N with a halo.,Cc1ccnc(N(CC(N)=O)C(C)C)c1Cl
DelComponent,Remove a halo from the molecule CC1(C(=O)Cc2ccc(Cl)s2)COCC1[NH3+].,CC1(C(=O)Cc2cccs2)COCC1[NH3+]
LogP,Modify the molecule CC[NH2+]Cc1ncoc1-c1csc(Br)c1 to decrease its LogP value.,CC[NH2+]Cc1ncoc1-c1ccsc1
MR,Please modify the molecule c1ccc(C23COP(OC2)OC3)cc1 to increase its MR value.,O=C(O)C1OP2OCC1(c1ccccc1)CO2
QED,Optimize the molecule O=C(NC1CCCC1Cl)c1cccc(F)c1Cl to have a lower QED value.,O=C(NC1CCCC1S)c1cccc(F)c1Cl
AtomNum,"The molecule is composed of 18 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cc1cnn(CC2CCCN2C(=O)c2ccc(-n3cccn3)nc2)c1
BondNum,"There is a molecule composed of 8 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)C(=Cc1cc(Cl)ccc1Br)CCl
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amine group.",CCC(CNc1cc(C(C)C)ccc1OC)C[NH2+]C
AddComponent,Add a aldehyde to the molecule CC(Nc1cc[nH+]c(C(=O)N2CCCCCC2)c1)c1ccccc1.,CC(Nc1cc(CC=O)[nH+]c(C(=O)N2CCCCCC2)c1)c1ccccc1
SubComponent,Substitute a Cc1ccc(S(=O)(=O)N2C(C#N)OCC2c2ccccc2)cc1 in the molecule nitrile with a aldehyde.,CC(=O)C1OCC(c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1
DelComponent,Please remove a benzene ring from the molecule CCCCCCCC[NH+](CCC(CC[NH+](CCCCCCCC)Cc1ccccc1)C(C(=O)OCC)C(=O)OCC)Cc1ccccc1.,CCCCCCCC[NH+](C)CCC(CC[NH+](CCCCCCCC)Cc1ccccc1)C(C(=O)OCC)C(=O)OCC
LogP,Modify the molecule COc1ccc(C[NH2+]CCC2(C(=O)[O-])CCc3cc(C(=O)[O-])ccc3C2)cc1 to have a lower LogP value.,COC[NH2+]CCC1(C(=O)[O-])CCc2cc(C(=O)[O-])ccc2C1
MR,Please modify the molecule CC[NH+](Cc1ccc(C[NH2+]CC(C)C)o1)C(C)C to increase its MR value.,CC[NH+](Cc1ccc(C[NH2+]CC(C)CO)o1)C(C)C
QED,Please modify the molecule COCCOCCOCCOCCOCCOc1ccc(Nc2ccc3c(c2)C2(C)CC[NH+](CC4CC4)C(C3=O)C2C)cc1 to increase its QED value.,COCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)C2(C)CC[NH+](CC4CC4)C(C3=O)C2C)cc1
AtomNum,"The molecule has 18 carbon atoms, 4 oxygen atoms, 1 phosphorus atom, and 3 silicon atoms.",CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
BondNum,"There is a molecule composed of 14 single bonds, 3 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",Cc1ccccc1C[NH+](C)CN1C(=O)C(=O)N(CCc2cccs2)C1=O
FunctionalGroup,"The molecule has 3 benzene ring groups, 1 amide group, and 1 halo group.",O=C(COc1ccccc1-c1ccccc1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1
AddComponent,Modify the molecule Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)on3)cc2)c(C)c1 by adding a benzene ring.,Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)on3)c(-c3ccccc3)c2)c(C)c1
SubComponent,Please substitute a ClCc1nnc(-c2ccc(Br)o2)o1 in the molecule halo with a aldehyde.,CC(=O)Cc1nnc(-c2ccc(Br)o2)o1
DelComponent,Modify the molecule CCCCCCC1OC1(Cl)C(=O)OCC by removing a halo.,CCCCCCC1OC1C(=O)OCC
LogP,Please modify the molecule C[NH+]1CCc2c(cncc2C(=O)NC2CC[NH2+]CC2)C1 to decrease its LogP value.,C[NH+]1CCc2c(cncc2C(=O)NC2CC[NH2+]C(C(=O)O)C2)C1
MR,Please optimize the molecule CC(C)[NH2+]C(C)(CN(C)CC1CC1C)C(N)=O to have a lower MR value.,CC(C)[NH2+]CCN(C)CC1CC1C
QED,Optimize the molecule COc1cc(Cl)c(C)c(CCC[NH3+])c1OC to have a lower QED value.,COc1cc(O)c(C)c(CCC[NH3+])c1OC
AtomNum,"Please generate a molecule with 16 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 3 sulfur atoms.",O=C(NC1CCS(=O)(=O)CC1)c1cc2sc3ccccc3c2s1
BondNum,"The molecule is composed of 15 single bonds, 2 double bonds, 7 rotatable bonds, and 28 aromatic bonds.",Cc1cc2c(-c3cccc(CCc4nn[n-]n4)c3)c(CC(=O)Nc3ccc(F)cc3C(F)(F)F)c(=O)oc2cc1Cl
FunctionalGroup,"The molecule has 1 benzene ring group, 9 hydroxyl groups, 8 amide groups, and 1 halo group.",C[NH2+]C(CC(C)C)C(=O)NC1C(=O)NC(CC(=O)NC(=O)Nc2ccc(OCC[NH3+])c(OCC[NH3+])c2)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NC4C5CC6CC(C5)CC4C6)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2O)Oc2ccc(cc2C)C1O
AddComponent,Add a benzene ring to the molecule CCCn1c(Cc2cccc(N)c2)nc2ccc(F)cc21.,CCCn1c(Cc2ccc(-c3ccccc3)c(N)c2)nc2ccc(F)cc21
SubComponent,Please substitute a halo in the molecule NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2ccccc2F)cc1 with a nitro.,NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2ccccc2NO)cc1
DelComponent,Please remove a amine from the molecule Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc12.,Cc1nn(C)c2ncc(S(=O)(=O)c3ccc4c(c3)OCO4)cc12
LogP,Modify the molecule CCC(C)CSCC([NH2+]C)c1c(C)cc(C)cc1C to have a lower LogP value.,C[NH2+]C(CSCC(C)C(C)S)c1c(C)cc(C)cc1C
MR,Modify the molecule CCOC(=O)c1ccc(C=CC(=O)[O-])cc1CCC#N to decrease its MR value.,CCOC(=O)c1ccc(C=CC(=O)[O-])cc1CCO
QED,Modify the molecule CC(C)c1nc(N2CC3CSC(N)=[N+](c4cnccn4)C3C2)ncc1F to decrease its QED value.,CC(C)c1nc(N2CC3CSC(N)=[N+](c4cnccn4)C3C2)ncc1C#N
AtomNum,"The molecule contains 17 carbon atoms, and 1 sulfur atom.",CCCCCCCSC1CCCCC1C(C)(C)C
BondNum,"There is a molecule composed of 15 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",O=C(Nc1ccccc1N1CCOCC1)C1COc2ccccc2O1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 3 hydroxyl groups.",C=C(C)C(=CCO)C(O)CCC(C)=Cc1ccc(O)cc1
AddComponent,Modify the molecule COCCCC(NC(=O)NCC(C)COC)C(=O)[O-] by adding a hydroxyl.,COCC(C)CNC(=O)NC(CCC(O)OC)C(=O)[O-]
SubComponent,Substitute a halo in the molecule COP(=O)(Nc1cc(-c2ccc(Br)cc2)sc1C(=O)OCc1ccccc1)c1ccc(C)cc1C with a hydroxyl.,COP(=O)(Nc1cc(-c2ccc(O)cc2)sc1C(=O)OCc1ccccc1)c1ccc(C)cc1C
DelComponent,Remove a COC(=O)Cn1c(C)c(C2CCN(C(=O)OCc3ccccc3)CC2)c2cc(F)ccc21 from the molecule benzene ring.,COC(=O)Cn1c(C)c(C2CCN(C(=O)OC)CC2)c2cc(F)ccc21
LogP,Please modify the molecule CCc1ccccc1NC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCCCC1)CN2c1ccccc1 to decrease its LogP value.,CCNC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCCCC1)CN2c1ccccc1
MR,Modify the molecule C=CCNC(=O)c1ccc(NCC2CCC(C)O2)cc1 to have a lower MR value.,C=CCNC(=O)NCC1CCC(C)O1
QED,Please modify the molecule O=C1C2CC3OC3CC2C(=O)N1CC(O)C[NH+]1CCN(c2ccccc2OCC(F)(F)F)CC1 to decrease its QED value.,O=C1C2CC3OC3CC2C(=O)N1CC(O)C[NH+]1CCN(c2ccccc2OCC(F)F)CC1
AtomNum,"The molecule has 15 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 fluorine atoms.",CC1(C2CC2)CCN(C(=O)C2CCC(F)(F)C2)CC1
BondNum,"The molecule consists of 10 single bonds, 1 double bond, 7 rotatable bonds, and 22 aromatic bonds.",COc1ccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)c(OC)c1
FunctionalGroup,"The molecule is composed of 1 ester group, 1 amide group, and 1 amine group.",Cc1cc2c(cc1C)N(CC(=O)OC(C)C)C(=O)C(C)N2
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2cccc(Cl)c2)cc1.,Cc1ccc(S(=O)(=O)N(c2cccc(Cl)c2)C(O)C(=O)Nc2ccc(C)c(Cl)c2)cc1
SubComponent,Substitute a thiol in the molecule O=C1Cc2ccccc2C(=O)N1CCCCS with a nitro.,ONCCCCN1C(=O)Cc2ccccc2C1=O
DelComponent,Please remove a benzene ring from the molecule CCOC(=O)C(=Cc1ccc(OC)cc1)S(=O)(=O)c1ccccc1.,CCOC(=O)C(=COC)S(=O)(=O)c1ccccc1
LogP,Modify the molecule Cc1c(C(=O)Nc2ccn(Cc3cccc(Cl)c3)n2)cnn1C to decrease its LogP value.,Cc1c(C(=O)Nc2ccn(Cc3cccc(O)c3)n2)cnn1C
MR,Modify the molecule CCc1nn(C)c(CN2CCN(CC)C(=O)C2=O)c1Br to decrease its MR value.,CCc1cc(CN2CCN(CC)C(=O)C2=O)n(C)n1
QED,Modify the molecule CC(C)C(NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)[O-])C(=O)[O-] to have a higher QED value.,CC([NH3+])C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(C)C
AtomNum,"The molecule is composed of 9 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CN(C1CCOC1)S(=O)(=O)c1cnc(Cl)nc1
BondNum,"The molecule is composed of 7 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",O=Cc1cccc(F)c1OC1CC1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 2 hydroxyl groups, 1 ester group, 1 amide group, and 1 halo group.",COC(=O)c1ccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(OC)c3)C2c2ccc(O)c(OC)c2)cc1
AddComponent,Please add a benzene ring to the molecule O=c1c2ccccc2nc(SCc2c(F)cccc2F)n1CCc1ccccc1.,O=c1c2ccccc2nc(SCc2c(F)cccc2F)n1CCc1cccc(-c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a [NH3+]C(Cc1ccc(C2CCCCC2)c(F)c1)C(=O)[O-] with a nitro.,[NH3+]C(Cc1ccc(C2CCCCC2)c(NO)c1)C(=O)[O-]
DelComponent,Modify the molecule C=C(Br)CN(CC[NH3+])Cc1ccccc1 by removing a benzene ring.,C=C(Br)CN(C)CC[NH3+]
LogP,Optimize the molecule Cc1ccc(C)c(C(O)c2cc(Br)c(Cl)s2)c1 to have a higher LogP value.,Cc1cc(C(O)c2cc(Br)c(Cl)s2)c(C)cc1-c1ccccc1
MR,Please modify the molecule O=C([O-])Cc1sc(Cl)c(Cl)c1CC(=O)[O-] to increase its MR value.,O=C([O-])Cc1sc(S)c(Cl)c1CC(=O)[O-]
QED,Optimize the molecule Cc1ccc(C)c(C(C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1 to have a lower QED value.,Cc1ccc(C)c(C(C)NC(=O)c2ccc(C(=O)[OH])c(S(=O)(=O)N(C)C)c2)c1
AtomNum,"The molecule contains 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(C)c1nc(CN(C)C(=O)C2CCOCC2)cs1
BondNum,"The molecule is composed of 12 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)CS(=O)(=O)Nc1ccccc1C(=O)NCC[NH3+]
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfone group.",C=CCN(C(C)(C)C)S(=O)(=O)c1cc(C)c(F)c(N)c1
AddComponent,Please add a hydroxyl to the molecule CC(C)(C)C=CC1(OCC(=O)[O-])C(C2COC(C)(C)O2)OC2OC(C)(C)OC21.,CC(C)(C)C=CC1(OCC(=O)[O-])C2OC(C)(C)OC2OC1C1OC(C)(C)OC1O
SubComponent,Modify the molecule nitrile by substituting a CC1(C#N)CCN(C(=O)Nc2ccc3c(c2)CCCN3)CC1 with a halo.,CC1(F)CCN(C(=O)Nc2ccc3c(c2)CCCN3)CC1
DelComponent,Please remove a amine from the molecule Cc1nc(Cc2cccnc2)nc(N)c1Br.,Cc1nc(Cc2cccnc2)ncc1Br
LogP,Please modify the molecule CCCCCNc1ccccc1C(=C(C)CC)C([NH2+]C1CC1)ON=[N+]=[N-] to decrease its LogP value.,CCC(C)=C(c1ccccc1NCCCCCO)C([NH2+]C1CC1)ON=[N+]=[N-]
MR,Modify the molecule Cc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NCCO)c3)c3ccccc23)cc1 to decrease its MR value.,Cc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)CCO)c3)c3ccccc23)cc1
QED,Please optimize the molecule CCC(NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(OC)c(C)c1 to have a lower QED value.,CCC(NS(=O)(=O)c1nnc(NC(=O)c2c(Cl)cc(Cl)cc2CC=O)s1)c1ccc(OC)c(C)c1
AtomNum,"The molecule has 23 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 2 sulfur atoms.",CCOc1ccc(NC(=O)CSc2n[nH]c3c4cc(S(=O)(=O)N5CCOCC5)ccc4nc-3n2)cc1
BondNum,"There is a molecule composed of 6 single bonds, 2 rotatable bonds, and 15 aromatic bonds.",FC(F)(F)c1ccc2nc(Nc3cccs3)[nH]c2c1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, and 1 halo group.",CCOc1ccc(Cl)cc1NC(=O)c1ccccc1
AddComponent,Modify the molecule CCCCCN(c1ncc(N)cn1)C(C)C by adding a benzene ring.,CCCCCN(c1ncc(N)cn1)C(C)Cc1ccccc1
SubComponent,Substitute a halo in the molecule O=C([O-])CCCn1nnnc1CCC(F)(F)F with a nitro.,ONC(F)(F)CCc1nnnn1CCCC(=O)[O-]
DelComponent,Remove a amide from the molecule Cc1[nH+]cc2n1CCC(C(=O)NC1CC3CCC1O3)C2.,Cc1[nH+]cc2n1CCC1(C2)CC2CCC1O2
LogP,Modify the molecule Cc1cc(CCCC(C(=O)NC(C(=O)NC(C)c2ccccc2)C(C)(C)C)C2OC(C)(C)OC2=O)ccc1-c1cccc(C(N)=O)c1 to increase its LogP value.,Cc1cc(CCCC(C(=O)NC(C(=O)NC(C)c2ccccc2)C(C)(C)C)C2OC(C)(C)OC2=O)c(-c2ccccc2)cc1-c1cccc(C(N)=O)c1
MR,Please modify the molecule CC1C(=O)c2ccccc2N(Cc2ccccc2)C1C(=O)OCc1ccccc1 to decrease its MR value.,CC1C(=O)c2ccccc2N(C)C1C(=O)OCc1ccccc1
QED,Please optimize the molecule O=C(C1CCC(F)(F)C1)N1CCOCC12CCOC2 to have a lower QED value.,FC1(F)CC2COCC3(CCOC3)C2C1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1cccc(CC(=O)NCc2cncc(-c3ccco3)c2)c1
BondNum,"Please generate a molecule with 20 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)N(C)C(=O)CN1C(=O)C(Oc2ccc(F)cc2)C12CCCCC2
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, 1 amine group, and 1 sulfone group.",Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1
AddComponent,Please add a benzene ring to the molecule CCCCCCCCCCCCCCCCCCSSN(C)C(=O)O[NH+]=C1SC(C)(C)C(=O)N1C.,CCCCCCCCCCCCCCCCCCSSN(Cc1ccccc1)C(=O)O[NH+]=C1SC(C)(C)C(=O)N1C
SubComponent,Modify the molecule hydroxyl by substituting a CCCCC(CC)COC(=O)C([NH3+])=C(O)C=CN1CC[NH+](C=CC(O)=C([NH3+])C(=O)OCC(CC)CCCC)CC1 with a thiol.,CCCCC(CC)COC(=O)C([NH3+])=C(O)C=C[NH+]1CCN(C=CC(S)=C([NH3+])C(=O)OCC(CC)CCCC)CC1
DelComponent,Modify the molecule hydroxyl by removing a Cc1ccc(O)c(-c2ccc(C(C)[NH+]3CCOCC3)cc2)c1.,Cc1cccc(-c2ccc(C(C)[NH+]3CCOCC3)cc2)c1
LogP,Modify the molecule O=C(NCO)Oc1ccc2ccccc2c1 to increase its LogP value.,CNC(=O)Oc1ccc2ccccc2c1
MR,Modify the molecule COc1ccc(C(=O)N2CCC(Br)C(C)C2)c(F)c1 to have a higher MR value.,COc1ccc(C(=O)N2CCC(S)C(C)C2)c(F)c1
QED,Please modify the molecule COC1(c2ccc(F)cc2)CCC(N2CC[NH2+]CC2)CC1 to decrease its QED value.,COC1(c2ccccc2)CCC(N2CC[NH2+]CC2)CC1
AtomNum,"The molecule is composed of 23 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COc1ccccc1CCNC(=O)C1CC(=O)N(c2ccccc2OC(C)C)C1
BondNum,"The molecule has 34 single bonds, 6 double bonds, 16 rotatable bonds, and 12 aromatic bonds.",C=CCCC(=O)NCC(OC(=O)C1C2OC3(CC2Br)C1C(=O)N(CCCCO)C3C(=O)N(CC=C)c1ccc(Cl)cc1)c1ccccc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, and 1 nitro group.",COc1cccc(CNc2c([N+](=O)[O-])ncn2C)c1OC
AddComponent,Add a carboxyl to the molecule COc1ccc(-c2csc(NC(=O)C=Cc3ccc(SCc4ccco4)cc3)n2)cc1.,COc1ccc(-c2csc(NC(=O)C(=Cc3ccc(SCc4ccco4)cc3)C(=O)O)n2)cc1
SubComponent,Please substitute a halo in the molecule NC(=[NH2+])c1cc(C(F)(F)F)ccc1NC(=O)NC1CC1 with a carboxyl.,NC(=[NH2+])c1cc(C(F)(F)C(=O)[OH])ccc1NC(=O)NC1CC1
DelComponent,Please remove a Cc1cc(C(N)=O)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2ccccc2C(N)=O)CC1 from the molecule amide.,Cc1cc(C(N)=O)ccc1NC(=O)C(C)[NH+]1CCC(CC(=O)Nc2ccccc2C(N)=O)C1
LogP,Modify the molecule O=C1c2cc(Br)sc2CCC1Br to have a lower LogP value.,N#Cc1cc2c(s1)CCC(Br)C2=O
MR,Optimize the molecule CCn1c(C)c(C=NNCc2c(Cl)cccc2Cl)c2ccccc21 to have a lower MR value.,CCn1c(C)c(C=NCc2c(Cl)cccc2Cl)c2ccccc21
QED,Please modify the molecule Cc1cccc(C(=O)c2cc3c(Cl)cccc3o2)c1 to decrease its QED value.,Cc1cccc(C(=O)c2cc3ccccc3o2)c1
AtomNum,"There is a molecule composed of 20 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",COC(=O)c1ccoc1CSc1nnc(Cc2cccs2)n1C1CCCCC1
BondNum,"Please generate a molecule composed of 11 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",COc1ccc(C(C[NH3+])c2cc(C(C)(C)C)n[nH]2)cc1Cl
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amide groups, and 3 halo groups.",O=C(Nc1ccc(NC(=O)c2cccc3c2OCO3)c(C(F)(F)F)c1)c1ccoc1
AddComponent,Modify the molecule CCCC1CC([NH2+]CC)CN(C(C)C)C1 by adding a benzene ring.,CC[NH2+]C1CC(C(CC)c2ccccc2)CN(C(C)C)C1
SubComponent,Modify the molecule O=c1ccc(O)c2[nH]c(-c3ccccc3)ccc1-2 by substituting a hydroxyl with a thiol.,O=c1ccc(S)c2[nH]c(-c3ccccc3)ccc1-2
DelComponent,Please remove a nitrile from the molecule CCCc1ccc2c(c1)c(C(=O)CC#N)cn2C(C)C(=O)[O-].,CCCc1ccc2c(c1)c(C(C)=O)cn2C(C)C(=O)[O-]
LogP,Please optimize the molecule COc1cccc(NC(=O)CS(=O)C(C)CN)c1 to have a higher LogP value.,COc1cccc(NC(=O)CS(=O)C(C)C)c1
MR,Please modify the molecule CC([NH3+])C(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 to decrease its MR value.,CC([NH3+])C(C)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
QED,Please modify the molecule O=C(NCCCC(=O)N1CC[NH2+]CC1c1cccc(F)c1)c1ccsc1 to increase its QED value.,O=C(NCC1CC[NH2+]CC1c1cccc(F)c1)c1ccsc1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 2 oxygen atoms, 1 sulfur atom, and 1 phosphorus atom.",CC1(C)C2CC3OP(=S)(CC4CCCCC4)OC3(C)C1C2
BondNum,"The molecule is composed of 10 single bonds, 1 double bond, 4 rotatable bonds, and 21 aromatic bonds.",C[NH+](Cc1nc(=O)c2oc3ccccc3c2[nH]1)CC1COc2ccccc2O1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 ester group, and 2 halo groups.",COc1cc(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC
AddComponent,Please add a benzene ring to the molecule CC(C)(C)[Si](C)(C)OC1CCCC(=C2CCCC(=C3CCCC3)CCC2)CCC1.,CC(C)(C)[Si](C)(C)OC1CCCC(=C2CCCC(=C3CCCC3)CC(c3ccccc3)C2)CCC1
SubComponent,Modify the molecule CC(C)C1CN(c2cc(Cl)c(F)c(Cl)c2)CC[NH2+]1 by substituting a halo with a nitrile.,CC(C)C1CN(c2cc(Cl)c(F)c(C#N)c2)CC[NH2+]1
DelComponent,Remove a amide from the molecule Cc1ccc(NC(=O)C2CC2)nc1-c1ccc(=O)[nH]c1.,CCc1ccc(C)c(-c2ccc(=O)[nH]c2)n1
LogP,Optimize the molecule CC1(C(=O)Nc2ccccn2)CC(=O)[NH+]=C2C=CC=CN21 to have a lower LogP value.,CC1(C(=O)Nc2ncccc2O)CC(=O)[NH+]=C2C=CC=CN21
MR,Please optimize the molecule Cc1cccc(NC(=O)CN(CC(C)C)S(C)(=O)=O)c1 to have a lower MR value.,CNC(=O)CN(CC(C)C)S(C)(=O)=O
QED,Modify the molecule Cc1ccc2nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n(-c3ccccc3)c2c1 to increase its QED value.,Cc1ccc2nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n(-c3ccccc3)c2c1
AtomNum,"The molecule has 5 carbon atoms, 4 oxygen atoms, and 6 nitrogen atoms.",NC(N)=NC([NH+]=C(N)N)(C(=O)[O-])C(=O)[O-]
BondNum,"Please generate a molecule with 6 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC(O)c1ccccc1C(C)F
FunctionalGroup,"The molecule contains 6 benzene ring groups, and 6 ester groups.",CC(COC(=O)c1ccc(-c2ccc(C(=O)OCC(C)OC(=O)c3ccc(-c4ccc(C(=O)OCC(C)OC(=O)c5ccccc5)cc4)cc3)cc2)cc1)OC(=O)c1ccccc1
AddComponent,Modify the molecule CCOC(=O)C(OC(=O)c1cccc(OC)c1OC)c1ccc(Br)cc1F by adding a benzene ring.,COc1cccc(C(=O)OC(C(=O)OC(C)c2ccccc2)c2ccc(Br)cc2F)c1OC
SubComponent,Substitute a CCN(CC)c1cc(N2CC[NH2+]CC2)ccc1S(=O)(=O)c1ccc(F)cc1 in the molecule halo with a carboxyl.,CCN(CC)c1cc(N2CC[NH2+]CC2)ccc1S(=O)(=O)c1ccc(C(=O)[OH])cc1
DelComponent,Remove a halo from the molecule O=C(C1CCCCC1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1.,O=C(C1CCCCC1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccccc4)nn23)CC1
LogP,Please optimize the molecule Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3c(C)nn4cccnc34)cs2)c1 to have a higher LogP value.,Cc1ccc(C)c(NC(=O)Cc2nc(C(CC=O)OC(=O)c3c(C)nn4cccnc34)cs2)c1
MR,Modify the molecule COC(=O)CCOC1(C[NH3+])CCC(C)CC1 to have a higher MR value.,COC(=O)CCOC1(C[NH3+])CCC(C)C(c2ccccc2)C1
QED,Modify the molecule NNC(CC1CCCC1)c1nc2ccccc2cc1Br to have a lower QED value.,NNC(CC1CCCC1)c1nc2ccccc2cc1C(=O)[OH]
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(CNC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1
BondNum,"There is a molecule composed of 15 single bonds, 8 rotatable bonds, and 12 aromatic bonds.",Cc1nc(OCCCCC[NH+]2CCCCC2)cc(-c2ccncc2)n1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 halo groups.",CCn1c(=O)oc2cc(C(Cl)c3ccc(F)cc3)ccc21
AddComponent,Add a amine to the molecule CC(C=CCC(=O)[O-])C(=O)[O-].,CC(C=C(N)CC(=O)[O-])C(=O)[O-]
SubComponent,Substitute a O=C(NNc1ncnc2c1cnn2-c1ccc(F)cc1)C1CCCCC1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(-n2ncc3c(NNC(=O)C4CCCCC4)ncnc32)cc1
DelComponent,Modify the molecule halo by removing a [NH3+]CCCCc1c(-c2ccc(I)cc2)[nH]c2c(C(F)(F)F)cc(Cl)cc12.,[NH3+]CCCCc1c(-c2ccc(I)cc2)[nH]c2c(C(F)F)cc(Cl)cc12
LogP,Modify the molecule O=C(NCc1ccccc1)N1CCCC1c1cccs1 to decrease its LogP value.,O=C(O)C(NC(=O)N1CCCC1c1cccs1)c1ccccc1
MR,Please modify the molecule O=C([O-])C1CCCC1C(O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)c(F)c2)cc1 to increase its MR value.,NC(O)(c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)c(F)c2)cc1)C1CCCC1C(=O)[O-]
QED,Please optimize the molecule CCCC(C)([NH2+]Cc1ccc(C)c(F)c1)C(=O)[O-] to have a lower QED value.,CCCC(C)([NH2+]Cc1cc(N)c(C)c(F)c1)C(=O)[O-]
AtomNum,"There is a molecule consisting of 23 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",Cc1cc(N2C(=O)C(Cl)=C(Nc3ccc(OC(C)C)cc3)C2=O)ccc1C(C)C
BondNum,"The molecule has 13 single bonds, 1 rotatable bond, and 10 aromatic bonds.",Fc1cc(F)c2nc(C3CCCCC3C(F)(F)F)[nH]c2c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",CC([NH3+])C(=O)NC(C)c1ccc(-n2cncn2)cc1
AddComponent,Add a benzene ring to the molecule C[NH2+]C(c1cc(Br)ccc1F)c1ncccc1F.,C[NH2+]C(c1cc(Br)ccc1F)c1ncc(-c2ccccc2)cc1F
SubComponent,Modify the molecule CC(=O)NC(=O)c1ccc(Cl)c(Br)c1 by substituting a halo with a nitro.,CC(=O)NC(=O)c1ccc(NO)c(Br)c1
DelComponent,Please remove a benzene ring from the molecule CC(=O)NCC(C)(O)C(=O)C=Cc1ccc(Br)cc1.,CC(=O)NCC(C)(O)C(=O)C=CBr
LogP,Please optimize the molecule CCC(CC)n1cc(CCCBr)cn1 to have a higher LogP value.,CCC(CC)n1cc(CCC(Br)c2ccccc2)cn1
MR,Modify the molecule CC(=O)NNC(=O)C[NH+]1CC(=O)NCC1C(=O)[O-] to increase its MR value.,O=C1C[NH+](CC(=O)NNC(=O)CO)C(C(=O)[O-])CN1
QED,Modify the molecule CC(Nc1ccc(Cl)cc1[N+](=O)[O-])(C(=O)[O-])C1CC1 to have a lower QED value.,CC(Nc1ccc(C#N)cc1[N+](=O)[O-])(C(=O)[O-])C1CC1
AtomNum,"The molecule has 16 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC(C)C[NH2+]C(C)C(O)c1ccc2c(c1)OCCCO2
BondNum,"The molecule consists of 4 single bonds, and 1 double bond.",N=[W](Cl)(Cl)(Cl)Cl
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 1 sulfone group.",Cc1cccnc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
AddComponent,Add a benzene ring to the molecule CC(=O)Nc1ccc(CC(=O)Nc2cccc(C3SCCS3)c2)cc1.,CC(=O)Nc1ccc(CC(=O)Nc2cccc(C3SCC(c4ccccc4)S3)c2)cc1
SubComponent,Substitute a hydroxyl in the molecule C[NH+]=C(N)N1CC[NH+](CCO)CC1 with a aldehyde.,CC(=O)CC[NH+]1CCN(C(N)=[NH+]C)CC1
DelComponent,Please remove a amide from the molecule Cc1nn(C)c(C)c1C1OCCC1NC(=O)C1COCC[NH+]1C.,Cc1nn(C)c(C)c1C1OCCC12COCC[NH+]2C
LogP,Please modify the molecule Cc1cccc(C)c1C(=O)OCC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)OCc1ccccc1 to increase its LogP value.,Cc1cccc(C)c1C(=O)OCC(=O)C(C)(CC(C)C)NC(=O)OCc1ccccc1
MR,Modify the molecule CCC(C)NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C to have a higher MR value.,CCC(C)NC(=O)CN(C)S(=O)(=O)c1cc(-c2ccccc2)c2c(c1)C(C)(C)C(=O)N2C
QED,Please optimize the molecule CC1CCC(CO)N(S(=O)(=O)N2CC(CO)Oc3ncc(NC(=O)C(C)c4ccccc4)cc32)C1 to have a higher QED value.,CC(=O)CC1CCC(C)CN1S(=O)(=O)N1CC(CO)Oc2ncc(NC(=O)C(C)c3ccccc3)cc21
AtomNum,"The molecule consists of 18 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",C=CCN(CCc1cccc(Br)c1)C(=O)C(=C)CCC(=O)OC
BondNum,"The molecule contains 14 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",NC(=O)c1cccc(NCCCOC2CC[NH2+]CC2)n1
FunctionalGroup,Please generate a molecule consisting and 4 amine groups.,c1ccc2c3c4ccccc4c(c2c1)Nc1ccc(cc1)Cc1ccc(cc1)Nc1c2ccccc2c(c2ccccc12)Nc1ccc(cc1)Cc1ccc(cc1)N3
AddComponent,Add a hydroxyl to the molecule CC(O)C1C(=O)N2C(C(=O)[O-])=C(SC3C[NH2+]C(CSc4nnnn4C)C3)C(C)C12.,CC(O)C1C(=O)N2C(C(=O)[O-])=C(SC3C[NH2+]C(O)(CSc4nnnn4C)C3)C(C)C12
SubComponent,Modify the molecule nitrile by substituting a CC1C(C)(C(=O)N(C)C)SC(N)=[NH+]C1(C)c1cc(C=C(F)c2cnc(C#N)cn2)ccc1F with a halo.,CC1C(C)(C(=O)N(C)C)SC(N)=[NH+]C1(C)c1cc(C=C(F)c2cnc(F)cn2)ccc1F
DelComponent,Modify the molecule benzene ring by removing a CCCCCCc1ccc(OC(CCC)S(=O)(=O)[O-])cc1CCCCCC.,CCCCCCC(CCCCC)OC(CCC)S(=O)(=O)[O-]
LogP,Please modify the molecule COc1ccc(C(=S)N2CCC(C)CC2)cc1Cl to decrease its LogP value.,CC(=O)c1cc(C(=S)N2CCC(C)CC2)ccc1OC
MR,Optimize the molecule CCc1ccc(C(CC)[NH2+]C(CO)c2ccco2)cc1 to have a higher MR value.,CC(=O)CC([NH2+]C(CC)c1ccc(CC)cc1)c1ccco1
QED,Please optimize the molecule C=CCNC(=O)CCN(Cc1ccc(OC)cc1)C(C)=O to have a lower QED value.,C=CCNC(=O)CCN(COC)C(C)=O
AtomNum,"The molecule consists of 25 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",Cc1cc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)c(C)n1-c1ccccc1F
BondNum,"The molecule consists of 7 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",CC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(N)=O
FunctionalGroup,"The molecule consists of 3 halo groups, 2 thioether groups, and 1 sulfide group.",FC(F)(F)c1cccc2c1CCOCCSC2
AddComponent,Add a hydroxyl to the molecule COCc1cc(Cn2ccc(C([NH3+])C(C)C)c2)no1.,COC(O)c1cc(Cn2ccc(C([NH3+])C(C)C)c2)no1
SubComponent,Modify the molecule halo by substituting a [NH3+]C1(c2cc(Br)ccc2C(F)F)CCCC1 with a thiol.,[NH3+]C1(c2cc(S)ccc2C(F)F)CCCC1
DelComponent,Please remove a CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc(OC)cc3)C(=[NH+]c3ccc(F)cc3)S2)cc1 from the molecule halo.,CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc(OC)cc3)C(=[NH+]c3ccccc3)S2)cc1
LogP,Please optimize the molecule O=C1C(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N1CCC1=CCCCC1 to have a higher LogP value.,O=C1C(=O)N(CC(=O)C23CC4CC(C2)C(c2ccccc2)C(C4)C3)C(=O)N1CCC1=CCCCC1
MR,Please modify the molecule NC1=[NH+]C2C3C(O)C(O)(CO)C(O)C(O)C34C(C(=O)[O-])OC24N1 to decrease its MR value.,NC1NC23OC(C(=O)[O-])C24C(O)C(O)C(O)(CO)C(O)C4C13
QED,Modify the molecule CCCOc1ccc(C(O)CCC2CCCCC2)cc1Br to decrease its QED value.,CCCOc1c(O)cc(C(O)CCC2CCCCC2)cc1Br
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",COc1ccc(C(=O)N2CCN(C(=O)NC3C[NH2+]CCC3C)CC2)cc1
BondNum,"There is a molecule composed of 6 single bonds, 1 double bond, 3 rotatable bonds, and 15 aromatic bonds.",CC(C)(Cn1c2ccccc2c2ccccc21)C(=O)[O-]
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, and 1 halo group.",CCCn1nnc(-c2nc(-c3ccc(Cl)cc3)no2)c1N
AddComponent,Modify the molecule COc1ccccc1C=Cc1ccc2cccc(C(=O)[O-])c2n1 by adding a hydroxyl.,COc1ccc(O)cc1C=Cc1ccc2cccc(C(=O)[O-])c2n1
SubComponent,Substitute a halo in the molecule CCC[NH2+]C(Cc1cccc(F)c1)C1CN(C)CCN1C with a carboxyl.,CCC[NH2+]C(Cc1cccc(C(=O)[OH])c1)C1CN(C)CCN1C
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(C=CC2CC(O)CC(=O)O2)c(C)c1.,CCC=CC1CC(O)CC(=O)O1
LogP,Modify the molecule CCOc1ccc(N(CC(=O)NCCC[NH+](C)C)S(C)(=O)=O)cc1 to increase its LogP value.,CCOc1ccc(N(CCC[NH+](C)C)S(C)(=O)=O)cc1
MR,Modify the molecule Cc1ccc2cc(CNC(=O)CCCl)ccc2c1 to have a higher MR value.,Cc1ccc2cc(CNC(=O)CCCl)ccc2c1C(=O)O
QED,Modify the molecule Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(C#N)c3)cc2)cc1 to decrease its QED value.,Cc1ccc(S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(C#N)c3)cc2)cc1
AtomNum,"There is a molecule consisting of 12 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 bromine atoms.",[NH3+]C(Cc1cccc(Br)c1)c1ccc(Br)o1
BondNum,"The molecule has 13 single bonds, 4 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",Cc1sc2nc(C(C)OC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)[nH]c(=O)c2c1C
FunctionalGroup,The molecule is composed of and 1 nitrile group.,CCOc1cc(-c2ccc(N3CC([NH3+])C(N=[N+]=[N-])C3)nc2)c2c(C#N)cnn2c1
AddComponent,Modify the molecule NC(=O)CCSc1nnc(-c2ccc[nH]2)o1 by adding a benzene ring.,NC(=O)C(CSc1nnc(-c2ccc[nH]2)o1)c1ccccc1
SubComponent,Substitute a halo in the molecule CC1(C)CN(C(CCCl)c2cccs2)c2cc(C#N)ccc21 with a thiol.,CC1(C)CN(C(CCS)c2cccs2)c2cc(C#N)ccc21
DelComponent,Modify the molecule CSCCC(NC(=O)C([NH3+])CO)C(=O)NC(CCC(N)=O)C(=O)NC(CS)C(=O)[O-] by removing a amide.,CSCCC(NC(=O)C([NH3+])CO)C(=O)NC(C)C(=O)NC(CS)C(=O)[O-]
LogP,Optimize the molecule Cc1ccc(C(Cl)c2ccc3c(c2)CCC3)c(Br)c1 to have a lower LogP value.,Cc1ccc(C(C(=O)[OH])c2ccc3c(c2)CCC3)c(Br)c1
MR,Optimize the molecule CC(=CC(=O)NS(=O)(=O)c1cnn(C)c1)c1ccccc1Cl to have a lower MR value.,CC(Cl)=CC(=O)NS(=O)(=O)c1cnn(C)c1
QED,Modify the molecule Cc1nccn1CCOc1ccc(NC(=O)Nc2cc(C(C)(C)C)on2)cc1 to decrease its QED value.,Cc1nccn1CCONC(=O)Nc1cc(C(C)(C)C)on1
AtomNum,"There is a molecule composed of 19 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCC(NS(C)(=O)=O)CC2)n1
BondNum,"There is a molecule with 5 single bonds, 1 double bond, 2 rotatable bonds, and 15 aromatic bonds.",Cc1cc(C(=O)c2cc3cccc(Cl)c3o2)n(C)n1
FunctionalGroup,The molecule has and 1 amide group.,CC(OCC1([NH3+])CCCC1)C(=O)NC(N)=O
AddComponent,Please add a carboxyl to the molecule CCC[NH2+]C(C)c1csc(C(CC)(CC)OCC)n1.,CCC[NH2+]C(C)c1csc(C(CC)(OCC)C(C)C(=O)O)n1
SubComponent,Substitute a hydroxyl in the molecule COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(SCc3ccco3)=C([NH+](C)CCO)C2=O)c1 with a halo.,COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(SCc3ccco3)=C([NH+](C)CCCl)C2=O)c1
DelComponent,Please remove a COC1(CO)CCC(n2ccc(=O)[nH]c2=O)O1 from the molecule hydroxyl.,COC1(C)CCC(n2ccc(=O)[nH]c2=O)O1
LogP,Modify the molecule CC(Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(F)c2c(=O)n1-c1cccc(F)c1 to have a higher LogP value.,CC(Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(S)c2c(=O)n1-c1cccc(F)c1
MR,Modify the molecule CC1(C)Cc2cc(CC[NH+]3CCN(c4noc5ccccc45)CC3)ccc2NC1=O to have a higher MR value.,CC1(C)Cc2cc(CC[NH+]3CCN(c4noc5ccccc45)CC3CC=O)ccc2NC1=O
QED,Optimize the molecule Cc1ccc(C#CCO)cc1C(=O)Nc1nccs1 to have a lower QED value.,Cc1ccc(C#CCS)cc1C(=O)Nc1nccs1
AtomNum,"The molecule consists of 15 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C[NH2+]Cc1ccc(C(N)=O)cc1)N1CCCC1
BondNum,"The molecule has 24 single bonds, 3 double bonds, and 9 rotatable bonds.",CCCOC1C(O)C(OP(=O)([O-])[O-])C(O)C(OP(=O)([O-])[O-])C1OP(=O)([O-])[O-]
FunctionalGroup,"The molecule contains 1 benzene ring group, and 3 halo groups.",Cn1c(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)C(C)(C)C2)nc2ncccc21
AddComponent,Modify the molecule CCOC(=O)COc1ccc(-c2ccc(OCCNC(=O)Cc3ccccc3)c(C(C)C)c2)cc1C(C)C by adding a benzene ring.,CCOC(=O)COc1ccc(-c2ccc(OCCNC(=O)Cc3ccccc3)c(C(C)C)c2)cc1C(C)Cc1ccccc1
SubComponent,Modify the molecule halo by substituting a Clc1cc(Cl)c(OC2CC(Br)C23CCCC3)c(Cl)c1 with a nitrile.,N#Cc1cc(Cl)c(OC2CC(Br)C23CCCC3)c(Cl)c1
DelComponent,Modify the molecule halo by removing a CC1(O)CCC[NH+](Cc2cccc(Cl)n2)CC1.,CC1(O)CCC[NH+](Cc2ccccn2)CC1
LogP,Modify the molecule COc1cccc(F)c1C(=O)N1CCc2cc(N)ccc21 to increase its LogP value.,COc1cccc(F)c1C(=O)N1CCc2ccccc21
MR,Modify the molecule COC(=O)c1ccc(NC(=O)c2sc(NC(=O)Nc3ccc(Cl)cc3)nc2C)cc1 to increase its MR value.,COC(=O)c1ccc(NC(=O)c2sc(NC(=O)Nc3ccc(NO)cc3)nc2C)cc1
QED,Please modify the molecule CC(Sc1cc(Cl)ccc1Cl)C(N)=O to decrease its QED value.,CSc1cc(Cl)ccc1Cl
AtomNum,"There is a molecule with 7 carbon atoms, 3 oxygen atoms, and 1 silicon atom.",C=CC(=O)OCCO[Si]CC
BondNum,"Please generate a molecule composed of 14 single bonds, 3 rotatable bonds, and 17 aromatic bonds.",OC1CCN(c2ccc(Nc3nc(C(F)(F)F)nc4ccccc34)cc2)CC1
FunctionalGroup,The molecule contains and 2 amine groups.,CCCCC(CC)CNC(=S)Nc1ccc2c(C)cc(=O)oc2c1
AddComponent,Add a hydroxyl to the molecule O=C1CCCC(OCc2ccccc2)=C1Br.,O=C1CCCC(OC(O)c2ccccc2)=C1Br
SubComponent,Substitute a halo in the molecule Cc1cc(F)ccc1OC1CC([NH3+])C1(C)C with a thiol.,Cc1cc(S)ccc1OC1CC([NH3+])C1(C)C
DelComponent,Modify the molecule benzene ring by removing a Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)C(F)(F)F)CC1
LogP,Please modify the molecule CC(C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl)[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc3c(c2)OCCO3)CC1 to decrease its LogP value.,CC(C(=O)Nc1cc(C(=O)N(C)C)ccc1S)[NH+]1CCC(C(=O)NCCC(=O)Nc2ccc3c(c2)OCCO3)CC1
MR,Modify the molecule Nc1c(-c2ccc(C#Cc3ccc(C[NH+]4CCOCC4)cc3)cc2)cc2ccncc2c1Br to decrease its MR value.,Nc1c(-c2ccc(C#Cc3ccc(C[NH+]4CCOCC4)cc3)cc2)cc2ccncc2c1S
QED,Modify the molecule CC(C)(C)c1ccc(S(=O)(=O)NCCCn2c(=O)[nH]c3ccccc32)cc1 to increase its QED value.,CC(C)(C)c1ccc(S(=O)(=O)CCCn2c(=O)[nH]c3ccccc32)cc1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",CC(C)(C)C1C(O)C(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CN1C(=O)[O-]
BondNum,"The molecule has 22 single bonds, 2 double bonds, 1 triple bond, and 2 rotatable bonds.",CCOC(=O)C12OC3(C)CCC1(C#C[Si](C)(C)C)OC(=O)C2O3
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",O=C(C1CCCC1)N(Cc1ccco1)Cc1nccn1Cc1cccc(Cl)c1
AddComponent,Add a benzene ring to the molecule Cc1ccc(Cn2nc(C)c(C=C(C#N)C(=O)Nc3c(Cl)cccc3Cl)c2C)cc1.,Cc1ccc(Cn2nc(C)c(C=C(C#N)C(=O)Nc3c(Cl)cccc3Cl)c2C)c(-c2ccccc2)c1
SubComponent,Modify the molecule nitrile by substituting a CCCCCCCCCCCCSC(=S)SC(C)(C#N)CCC(=O)OCCOC with a thiol.,CCCCCCCCCCCCSC(=S)SC(C)(S)CCC(=O)OCCOC
DelComponent,Modify the molecule COC(=O)C[NH+](CC(=O)NCC1CCCO1)CC(=O)OC by removing a amide.,COC(=O)C[NH+](CC(=O)OC)CC1CCCO1
LogP,Please modify the molecule CN(CC1([NH+](C)C)CCC1)c1ccc(C=O)cc1Cl to decrease its LogP value.,CN(CC1([NH+](C)C)CCC1C#N)c1ccc(C=O)cc1Cl
MR,Optimize the molecule CN1CCOc2ccc(S(=O)(=O)Nc3cccc4c(O)cccc34)cc21 to have a higher MR value.,NCN1CCOc2ccc(S(=O)(=O)Nc3cccc4c(O)cccc34)cc21
QED,Modify the molecule OCC(Cc1cccs1)C[NH+]1CCCCC1 to decrease its QED value.,SCC(Cc1cccs1)C[NH+]1CCCCC1
AtomNum,"There is a molecule composed of 26 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 3 fluorine atoms.",Nc1ncnc2c1C(c1ccc(NC(=O)OCc3ccccc3)c(C(F)(F)F)c1)CN2C1CCCC1
BondNum,"The molecule has 10 single bonds, 1 double bond, 1 triple bond, 1 rotatable bond, and 12 aromatic bonds.",CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)N1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, and 1 halo group.",COc1ccc(NCCn2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1Cl
AddComponent,Add a amine to the molecule COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(NC(=O)c5ccco5)c4)nn23)cc1.,COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(NC(=O)c5ccco5)c4)nn23)cc1N
SubComponent,Please substitute a halo in the molecule Nc1cc2c(CCl)csc2cc1C(F)F with a aldehyde.,CC(=O)Cc1csc2cc(C(F)F)c(N)cc12
DelComponent,Please remove a N#CC(=C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)S(=O)(=O)c1ccc(Cl)cc1 from the molecule halo.,N#CC(=C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)S(=O)(=O)c1ccc(Cl)cc1
LogP,Please optimize the molecule CC1CCCC(O)(c2ccnn2C(C)C)C1C to have a higher LogP value.,CC1CCCC(c2ccnn2C(C)C)C1C
MR,Modify the molecule N#CC1CCCC1NC(=O)C1CC1c1cccc2ccccc12 to decrease its MR value.,O=C(NC1CCCC1)C1CC1c1cccc2ccccc12
QED,Optimize the molecule CNC(=O)N(C)CCc1cc(C(C)C)ccc1OC to have a lower QED value.,CNC(=O)N(C)CCC(C)(C)OC
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCC1CCCCC1OC(=O)CC1CCC[NH2+]1
BondNum,"The molecule consists of 7 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CN(CCCNC=O)c1ccccc1
FunctionalGroup,There is a molecule consisting of and 1 sulfone group.,CC(C[NH+]1CCOCC1)NC(=O)NCC1CCCS(=O)(=O)C1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(CCC(=O)N(CCc2ccccc2)CC(=O)[O-])cc1F.,COc1cc(O)c(CCC(=O)N(CCc2ccccc2)CC(=O)[O-])cc1F
SubComponent,Modify the molecule BN(CCCl)CCCl by substituting a halo with a thiol.,BN(CCS)CCCl
DelComponent,Modify the molecule amine by removing a N#CC(C(=O)N1CCCCC1)=C(C1CCSCC1)N1CNc2cnccc21.,N#CC(C(=O)N1CCCCC1)=C(C1CCSCC1)N1Cc2cnccc21
LogP,Optimize the molecule COP(=O)(OC)c1sc(N)c(S(=O)(=O)c2ccccc2)c1C to have a higher LogP value.,COP(=O)(OC)c1scc(S(=O)(=O)c2ccccc2)c1C
MR,Please modify the molecule CCNC(NCCCN(CC)c1ccccc1)=[NH+]CC(=O)N1CCCCC1 to increase its MR value.,CCN(CCCNC(NCCO)=[NH+]CC(=O)N1CCCCC1)c1ccccc1
QED,Optimize the molecule CC(C)c1cc(F)cc2[nH]c(Cl)nc12 to have a lower QED value.,CC(C)c1cc(NO)cc2[nH]c(Cl)nc12
AtomNum,"Please generate a molecule composed of 9 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC1CN=C(N[NH+]2CCN(C)CC2)S1
BondNum,"The molecule is composed of 36 single bonds, 4 double bonds, 14 rotatable bonds, and 18 aromatic bonds.",CNc1ccccc1CCN(C=O)C1CCN(C(=O)OC(Cc2cc(C)c(O)c(C)c2)C(=O)N2CCN(c3ccc(C(=O)OCC(C)C)cn3)CC2)CC1
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,CCOC(C)(C)C(Cc1c(C)cccc1C)[NH2+]C
AddComponent,Modify the molecule C[NH+]1CCN(c2ccc(CCCC(=O)N3CCC(c4ccc(Cl)cc4)CC3)cc2)CC1 by adding a carboxyl.,C[NH+]1CCN(c2ccc(CCCC(=O)N3CCC(c4ccc(Cl)cc4)CC3C(=O)O)cc2)CC1
SubComponent,Modify the molecule nitrile by substituting a N#CC(=CNc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 with a nitro.,ONC(=CNc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1
DelComponent,Remove a Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCc3cn4cc(Br)ccc4[nH+]3)c2C)n1 from the molecule amide.,Cc1cc(C)nc(-n2nc(C)c(Cc3cn4cc(Br)ccc4[nH+]3)c2C)n1
LogP,Modify the molecule COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH+](C)CCCOc2ccc(F)cc2)cc1 to decrease its LogP value.,COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH+](C)CCCOc2ccc(O)cc2)cc1
MR,Modify the molecule O=C(NCCn1ccnc1)C1CCCN1C(=O)Cc1ccccc1 to decrease its MR value.,CC(=O)N1CCCC1C(=O)NCCn1ccnc1
QED,Modify the molecule COc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)C2c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 to have a lower QED value.,COc1ccc(C2=CC(=O)N(c3cc(C)ccc3C)C2c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",CC1(C)CN(S(=O)(=O)c2ccc(F)cc2F)CCC1[NH3+]
BondNum,"The molecule has 1 single bond, 2 double bonds, 1 rotatable bond, and 11 aromatic bonds.",[N-]=[N+]=Nc1ncnc2ccccc12
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 halo group, 2 thioether groups, and 1 sulfide group.",CSC(CO)C(C)NC(=O)NC1CCc2cc(F)ccc21
AddComponent,Add a hydroxyl to the molecule COCC(C)[NH2+]Cc1cnco1.,COCC(CO)[NH2+]Cc1cnco1
SubComponent,Modify the molecule halo by substituting a Cc1nnc(Oc2ccc(C[NH3+])cc2F)nc1C with a hydroxyl.,Cc1nnc(Oc2ccc(C[NH3+])cc2O)nc1C
DelComponent,Modify the molecule halo by removing a COC1CC[NH+](CC(Cl)C(=O)[O-])CC1.,COC1CC[NH+](CCC(=O)[O-])CC1
LogP,Optimize the molecule CCCC(O)c1ccc(OC)c(OC)c1 to have a lower LogP value.,CCCC(NO)c1ccc(OC)c(OC)c1
MR,Modify the molecule Cc1cc(C#N)cc(NC(C)c2ccc(Br)cc2)n1 to decrease its MR value.,Cc1cc(C#N)cc(NC(C)Br)n1
QED,Modify the molecule CC(=O)N(C)C1CCc2[nH]c3ccccc3c2C1 to decrease its QED value.,CC1CCc2[nH]c3ccccc3c2C1
AtomNum,"There is a molecule with 18 carbon atoms, and 1 oxygen atom.",CC1=CC(C)(C)C2=C(CC(C=O)C(C)C2C)C1(C)C
BondNum,"Please generate a molecule composed of 26 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",Cc1cc(OC(C)(C)C(=O)N(C)C2CC[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC2)c(C)c(C)c1N
FunctionalGroup,There is a molecule with and 1 amine group.,CNC(=O)N1CCC(c2cnc(OC3CCOCC3)c3cnc(NC(C)COC)nc23)CC1
AddComponent,Please add a amine to the molecule CN(CCNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)c1ccccc1.,CN(CCNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)c1cccc(N)c1
SubComponent,Substitute a CN1C(=O)C2(C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c2ccccc21 in the molecule hydroxyl with a aldehyde.,CC(=O)C1=C(C(=O)c2cc3ccccc3o2)C2(C(=O)N(C)c3ccccc32)N(CCC[NH+]2CCOCC2)C1=O
DelComponent,Modify the molecule C[NH+](C)CC1(O)CCN(C(=O)c2c[nH]c3c(F)cccc3c2=O)C1 by removing a halo.,C[NH+](C)CC1(O)CCN(C(=O)c2c[nH]c3ccccc3c2=O)C1
LogP,Modify the molecule CC1(c2ccc(F)c(NC(=O)C3=CC(Cl)CC=C3)c2)CCSC(N)=[NH+]1 to have a higher LogP value.,CC1(c2ccc(S)c(NC(=O)C3=CC(Cl)CC=C3)c2)CCSC(N)=[NH+]1
MR,Modify the molecule c1ccc(N(c2cccc(-c3cccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c3)c2)c2ccc3c(c2)oc2ccccc23)cc1 to decrease its MR value.,c1ccc(N(c2cccc(-c3cccc(Nc4ccc5c(c4)oc4ccccc45)c3)c2)c2ccc3c(c2)oc2ccccc23)cc1
QED,Please optimize the molecule O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1Cc1cccc(F)c1 to have a lower QED value.,ONc1ccc(Cc2cccc(F)c2)c(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c1
AtomNum,"The molecule consists of 17 carbon atoms, 3 nitrogen atoms, and 1 phosphorus atom.",Nc1ccc(P(c2ccccc2)c2ccccc2)c(N)n1
BondNum,"There is a molecule with 17 single bonds, 7 rotatable bonds, and 5 aromatic bonds.",CCC[NH2+]C(Cc1ccco1)C1(OC)CCC(C)(C)CC1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 1 halo group.",Brc1ccccc1OCc1cnn(-c2ccccc2)c1
AddComponent,Add a amine to the molecule COc1ccc2cc(Br)ccc2c1CN1C(=O)C(NC(=O)C(C)[NH2+]CC(=O)OC(C)(C)C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c2ccccc21.,COc1ccc2cc(Br)ccc2c1CN1C(=O)C(NC(=O)C(C)[NH2+]CC(=O)OC(C)(C)C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2N)c2ccccc21
SubComponent,Modify the molecule halo by substituting a CCC[NH2+]Cc1sc(-c2cc(F)ccc2F)nc1COC with a nitrile.,CCC[NH2+]Cc1sc(-c2cc(C#N)ccc2F)nc1COC
DelComponent,Remove a benzene ring from the molecule O=C(NC(Cc1ccc(OCCCCC2CC[NH2+]CC2)cc1)C(=O)[O-])OCc1ccccc1.,COC(=O)NC(Cc1ccc(OCCCCC2CC[NH2+]CC2)cc1)C(=O)[O-]
LogP,Modify the molecule Cc1oc2ccccc2c1CNC(=O)Nc1ccc(Br)cc1 to have a lower LogP value.,Cc1oc2ccccc2c1CNC(=O)Nc1ccc(O)cc1
MR,Modify the molecule CCNC(=O)c1ccc(NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 to decrease its MR value.,CCNC(=O)c1ccc(NC(=O)c2ccc(OCCc3ccccc3)c(O)c2)cc1
QED,Please optimize the molecule Cc1cc(C)nc(SCC(=O)NC(c2ccc(F)cc2)C(C)(C)C)n1 to have a lower QED value.,Cc1cc(C)nc(SC(c2ccc(F)cc2)C(C)(C)C)n1
AtomNum,"The molecule contains 19 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 3 fluorine atoms.",O=C(NCC(N1CC[NH2+]CC1)C(F)(F)F)C1CCCN1C(=O)c1ccccc1
BondNum,"The molecule contains 20 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C2=C([NH+](C)C3CC[NH+](C)CC3)C(=O)N(c3ccc(F)cc3F)C2=O)c(C)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, and 1 halo group.",Nc1nn(-c2cccc(Br)c2)c2ncccc12
AddComponent,Add a carboxyl to the molecule CCC(C)(C[NH2+]C(C)C)CN1CCS(=O)CC1.,CCC(C)(C[NH2+]C(C)C)CN1CCS(=O)C(C(=O)O)C1
SubComponent,Modify the molecule halo by substituting a O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(Cl)c(Cl)c1 with a thiol.,O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(S)c(Cl)c1
DelComponent,Remove a halo from the molecule CCC[NH2+]C(c1ccsc1)c1ccc(C)cc1F.,CCC[NH2+]C(c1ccc(C)cc1)c1ccsc1
LogP,Please modify the molecule Cc1c(C(=O)NCc2ccccc2)sc(=O)n1CC(=O)c1ccc(F)cc1 to decrease its LogP value.,Cc1c(C(=O)NCc2ccccc2)sc(=O)n1CC(=O)c1ccc(NO)cc1
MR,Modify the molecule CC[NH+](CC)CCn1c(SCC(=O)NC2(C#N)CCCC2)nc2ccccc2c1=O to increase its MR value.,CC(=O)C1(NC(=O)CSc2nc3ccccc3c(=O)n2CC[NH+](CC)CC)CCCC1
QED,Modify the molecule CC(C)C(CO)Nc1ncnc2c1oc1ccccc12 to decrease its QED value.,CC(C)C(CS)Nc1ncnc2c1oc1ccccc12
AtomNum,"Please generate a molecule with 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",NNC(Cc1cccs1)C1Cc2ccccc2O1
BondNum,"Please generate a molecule composed of 16 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CN(CC1CCCO1)C(=O)c1cccc(CCC(C)(C)O)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 1 amine group, and 1 sulfone group.",CNC(=O)c1cc(S(=O)(=O)NCc2cccnc2)ccc1C
AddComponent,Add a benzene ring to the molecule COc1ccc(SN2CCC3(CC3)C2)cc1.,COc1ccc(SN2CC(c3ccccc3)C3(CC3)C2)cc1
SubComponent,Modify the molecule halo by substituting a CC[NH2+]C(CSc1ccccc1C)c1ccc(Cl)s1 with a hydroxyl.,CC[NH2+]C(CSc1ccccc1C)c1ccc(O)s1
DelComponent,Remove a benzene ring from the molecule Nc1nc2ccccc2c2[nH+]c(Cc3ccccc3)cn12.,Cc1cn2c(N)nc3ccccc3c2[nH+]1
LogP,Optimize the molecule Cc1ccc(C)c(C(=O)C=Cc2ccccc2F)c1 to have a lower LogP value.,Cc1ccc(C)c(C(=O)C=Cc2ccccc2NO)c1
MR,Optimize the molecule O=S1CCC([NH2+]C2CCc3cc(Cl)ccc32)CC1 to have a higher MR value.,O=S1CCC([NH2+]C2CCc3cc(Cl)ccc32)CC1c1ccccc1
QED,Optimize the molecule CCCN(C)C(=O)Nc1ccc(N)cc1 to have a higher QED value.,CCCN(C)C(=O)Nc1ccccc1
AtomNum,"The molecule consists of 18 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=C(NO)c1ccc(C(=O)NC(C[NH+]2CCCC2)c2ccccc2)s1
BondNum,"The molecule consists of 15 single bonds, 1 double bond, and 1 rotatable bond.",O=C1C2CC(C2)CN1C1CC[NH2+]CC1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 nitro group, and 1 halo group.",CCN(CC(C)(C)C[NH3+])c1cccc(Cl)c1[N+](=O)[O-]
AddComponent,Add a hydroxyl to the molecule N#CC(=Cc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1.,N#CC(=Cc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1O)C(=O)Nc1ccc(Cl)cc1
SubComponent,Modify the molecule halo by substituting a C[NH2+]Cc1nc(-c2c(C)cc(C)cc2C)c(Br)n1C with a hydroxyl.,C[NH2+]Cc1nc(-c2c(C)cc(C)cc2C)c(O)n1C
DelComponent,Please remove a CCCCC1CCC(C(=O)N2c3ccc(CC(Br)CC)cc3CC2C)CC1 from the molecule halo.,CCCCc1ccc2c(c1)CC(C)N2C(=O)C1CCC(CCCC)CC1
LogP,Modify the molecule C[NH2+]CCC1C(C)N(C)c2c(Br)cccc2S1(=O)=O to decrease its LogP value.,C[NH2+]CCC1C(C)N(C)c2ccccc2S1(=O)=O
MR,Optimize the molecule Cc1cc(C[NH+]2CCN(C(=O)NC3c4cccc(F)c4CCC3C)CC2)on1 to have a higher MR value.,Cc1cc(C[NH+]2CCN(C(=O)NC3c4cccc(NO)c4CCC3C)CC2)on1
QED,Modify the molecule Cc1cc(C(=O)c2ccc3ccccc3n2)ccc1F to increase its QED value.,Cc1cc(C(=O)c2ccc3ccccc3n2)ccc1O
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)[O-])cc2)cc1
BondNum,"There is a molecule with 11 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",C[NH2+]C1COc2cc(OCC(O)c3ccccc3)ccc21
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, and 1 ester group.",COC(=O)C(C(C)C)C(O)c1cc(OC)c2c(c1)OCO2
AddComponent,Please add a benzene ring to the molecule CC(C)C(C)Sc1nnc(SSc2n[nH]c(=S)s2)s1.,CC(Cc1ccccc1)C(C)Sc1nnc(SSc2n[nH]c(=S)s2)s1
SubComponent,Substitute a halo in the molecule Cc1cc(Cl)ccc1NC(=O)Nc1nnc(Cl)cc1Br with a nitro.,Cc1cc(NO)ccc1NC(=O)Nc1nnc(Cl)cc1Br
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(CC(=O)CCc2cnn(C)c2)cc1.,CCC(=O)CCc1cnn(C)c1
LogP,Modify the molecule Cc1ccccc1Nc1ccc(C(=S)c2csc3ccccc23)c(Cl)c1 to decrease its LogP value.,CNc1ccc(C(=S)c2csc3ccccc23)c(Cl)c1
MR,Please modify the molecule Cc1cc(C(=O)N2CC[NH+](CCNC(=O)c3ccc(Cl)cc3)CC2)no1 to decrease its MR value.,Cc1cc(C(=O)N2CC[NH+](CCNC(=O)c3ccc(O)cc3)CC2)no1
QED,Optimize the molecule Cc1ccc(C(=O)NC2CCCCC2C)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(C(=O)NCC(C)C)ccc2Cl)CC1 to have a lower QED value.,Cc1ccc(C(=O)NC2CCCCC2C)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(C(=O)NCC(C)C)ccc2S)CC1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",O=C(c1c[nH]c2c(Cl)cc(Br)cc2c1=O)N1C2COCC1C2
BondNum,"Please generate a molecule with 35 single bonds, and 19 rotatable bonds.",CCCCCCCCCCC(C1CCC2[NH2+]CCCC2C1)C(CC)(CC)CC(C)CCCCC
FunctionalGroup,The molecule contains and 1 amide group.,CC(C)CC(C)(C)CNC(=O)C1CC[NH2+]1
AddComponent,Please add a aldehyde to the molecule CC(C)(C)C1c2cncc(n2)C1C(C)(C)C.,CC(C)(C)C1c2cncc(n2)C1C(C)(C)CCC=O
SubComponent,Please substitute a hydroxyl in the molecule CC(Cc1ccc(O)c(Br)c1)C(=O)N1CCC([NH+]2CCC(C)(C)CC2)CC1 with a aldehyde.,CC(=O)c1ccc(CC(C)C(=O)N2CCC([NH+]3CCC(C)(C)CC3)CC2)cc1Br
DelComponent,Modify the molecule benzene ring by removing a C=CC(=O)OCCOCCC[Si](Cc1ccccc1)(Cc1ccccc1)O[Si](CC)(CC)Cc1ccccc1.,C=CC(=O)OCCOCCC[Si](C)(Cc1ccccc1)O[Si](CC)(CC)Cc1ccccc1
LogP,Optimize the molecule CCc1ccccc1CNC(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)=[NH+]C to have a lower LogP value.,CCc1cc(O)ccc1CNC(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)=[NH+]C
MR,Please modify the molecule O=C(CCC(=O)N1CCCC1c1ccccc1)NCc1nc(Cc2ccccc2Cl)cs1 to increase its MR value.,N#Cc1ccc(C2CCCN2C(=O)CCC(=O)NCc2nc(Cc3ccccc3Cl)cs2)cc1
QED,Optimize the molecule O=C(CC1CCC[NH2+]1)Nc1ccccc1OCC(F)(F)F to have a lower QED value.,O=C(CC1CCC[NH2+]1)Nc1ccccc1OCC(O)(F)F
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 3 fluorine atoms.",[NH3+]Cc1ccccc1CNC(=O)c1c(F)cc(F)cc1F
BondNum,"Please generate a molecule with 13 single bonds, 3 double bonds, and 2 rotatable bonds.",CC1(C)C2C(=O)N(C(F)C(=O)[O-])C(=O)C21
FunctionalGroup,"The molecule has 1 ester group, 1 amide group, and 1 halo group.",CC(C)(C)OC(=O)C(C(=O)I)N1C(=O)C([NH3+])Cc2ccccc21
AddComponent,Modify the molecule Cc1cc(Oc2cc(C[NH2+]CC(C)C)ccn2)ccc1Br by adding a hydroxyl.,Cc1cc(Oc2cc(C(O)[NH2+]CC(C)C)ccn2)ccc1Br
SubComponent,Modify the molecule COc1ccc(C(OCC23COP(=O)(OCC4OC(n5cc(C)c(=O)[nH]c5=O)CC4O)OC2CC(n2cc(C)c(=O)[nH]c2=O)O3)(c2ccccc2)c2ccc(OC)cc2)cc1 by substituting a hydroxyl with a nitrile.,COc1ccc(C(OCC23COP(=O)(OCC4OC(n5cc(C)c(=O)[nH]c5=O)CC4C#N)OC2CC(n2cc(C)c(=O)[nH]c2=O)O3)(c2ccccc2)c2ccc(OC)cc2)cc1
DelComponent,Modify the molecule benzene ring by removing a CCC(C)c1ccc(C(=O)NCCOCCNc2ccc(CO)cc2)cc1.,CCC(C)C(=O)NCCOCCNc1ccc(CO)cc1
LogP,Modify the molecule C#CCCC[NH+]1CC(O)(C2CC2)C1 to have a higher LogP value.,C#CCCC[NH+]1CC(C2CC2)C1
MR,Please modify the molecule Nc1ccc(N2CCN(C(=O)C3CCCCS3)CC2)cc1 to decrease its MR value.,Nc1ccc(N2CCC3CCCSC3C2)cc1
QED,Optimize the molecule CC(O)C(NC(=O)C(CCC(=O)[O-])NC(=O)C(Cc1ccc(O)cc1)NC(=O)C([NH3+])Cc1ccc(O)cc1)C(=O)[O-] to have a higher QED value.,CC(=O)C(C)C(NC(=O)C(CCC(=O)[O-])NC(=O)C(Cc1ccc(O)cc1)NC(=O)C([NH3+])Cc1ccc(O)cc1)C(=O)[O-]
AtomNum,"There is a molecule consisting of 9 carbon atoms, 2 nitrogen atoms, and 1 chlorine atom.",CN(C)NC1C2C=CC(C2)C1Cl
BondNum,"There is a molecule with 28 single bonds, 2 double bonds, 16 rotatable bonds, and 10 aromatic bonds.",C[NH+]1CCC=C(c2csnc2OCCOCCOCCOCCOc2nsnc2C2=CCC[NH+](C)C2)C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amine group.",CCCNc1cc(Oc2cc(C)ccc2C)nc(C)n1
AddComponent,Please add a benzene ring to the molecule [NH3+]C1(CNC(=O)CSc2ccccc2)CCCCC1.,[NH3+]C1(CNC(=O)CSc2ccccc2)CCC(c2ccccc2)CC1
SubComponent,Substitute a Cc1nccnc1-n1ccnc1C#N in the molecule nitrile with a hydroxyl.,Cc1nccnc1-n1ccnc1O
DelComponent,Modify the molecule COc1c(Cl)c(C(Cl)=NO)c(OC)c2c1OCO2 by removing a halo.,COc1c(Cl)c(C=NO)c(OC)c2c1OCO2
LogP,Modify the molecule FC(F)(F)Oc1cccc(NC(=S)Nc2ccccc2C(F)(F)F)c1 to decrease its LogP value.,FC(F)(F)Oc1cccc(C(=S)Nc2ccccc2C(F)(F)F)c1
MR,Modify the molecule O=C(Cc1cnn(-c2ccccc2)c1)NC1(C(=O)[O-])CCCCCC1 to decrease its MR value.,O=C([O-])C1(c2cnn(-c3ccccc3)c2)CCCCCC1
QED,Please modify the molecule CCOc1cccc(-c2ccc(C[NH2+]CCOC)c(=O)[nH]2)c1 to decrease its QED value.,CCOc1ccc(C[NH2+]CCOC)c(=O)[nH]1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, and 3 nitrogen atoms.",Cc1ncn(CC2CCC[NH2+]2)c1C
BondNum,"The molecule contains 6 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(Nc2ccc(N)cc2C)c(Br)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 nitro group, and 2 halo groups.",O=C([O-])c1cccc([N+](=O)[O-])c1C(Cl)Cl
AddComponent,Modify the molecule COc1ccccc1OCC(=O)N1CCC(C)C1CO by adding a carboxyl.,COc1cc(C(=O)O)ccc1OCC(=O)N1CCC(C)C1CO
SubComponent,Please substitute a CCCCOC(=O)c1ccc(NC(=O)CNc2cccc(C#N)c2)cc1 in the molecule nitrile with a hydroxyl.,CCCCOC(=O)c1ccc(NC(=O)CNc2cccc(O)c2)cc1
DelComponent,Modify the molecule halo by removing a CC1(c2ccc3oc(C(F)(F)F)cc3c2)CCC[NH2+]1.,CC1(c2ccc3oc(C(F)F)cc3c2)CCC[NH2+]1
LogP,Modify the molecule CCC(C)c1ccc(OC(C)OCCOC(C)c2cc3ccccc3c3ccccc23)cc1 to increase its LogP value.,CC(OCCOC(C)c1cc2ccccc2c2ccccc12)Oc1ccc(C(C)C(C)c2ccccc2)cc1
MR,Please optimize the molecule Ic1ccc(CC[NH+](CCc2ccccc2)CCc2ccccc2)s1 to have a higher MR value.,Oc1ccccc1CC[NH+](CCc1ccccc1)CCc1ccc(I)s1
QED,Modify the molecule Cc1cc(Cl)c(C(=O)NC2CCCCC2C(C)(C)C)cn1 to have a lower QED value.,Cc1cc(Cl)c(C(=O)NC2(N)CCCCC2C(C)(C)C)cn1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Cc1nccn1CC1CCCN1C(=O)NCC1CC[NH+](C2CC2)C1
BondNum,"The molecule consists of 14 single bonds, and 7 rotatable bonds.",CC(C)C(OC(CO)C(C)O)C([NH3+])CO
FunctionalGroup,"Please generate a molecule with 1 halo group, and 1 sulfide group.",Ic1nnc(-c2ccc3c(c2)OCCO3)s1
AddComponent,Modify the molecule COc1ccc(CC([NH3+])CCCC(C)C)cn1 by adding a hydroxyl.,COc1ncc(CC([NH3+])CCCC(C)C)cc1O
SubComponent,Modify the molecule hydroxyl by substituting a CCC[NH+](CCO)CC1CO1 with a aldehyde.,CC(=O)CC[NH+](CCC)CC1CO1
DelComponent,Modify the molecule amine by removing a CC(C)(C)Nc1ccc2c(c1)CC[NH2+]C2.,CC(C)(C)c1ccc2c(c1)CC[NH2+]C2
LogP,Modify the molecule Cc1ccc(Cl)c(NC(=O)c2ccc(Br)o2)c1Cl to have a lower LogP value.,Cc1ccc(NO)c(NC(=O)c2ccc(Br)o2)c1Cl
MR,Modify the molecule Cc1c(C2CC2)oc2cc(=O)ccc-2c1O to increase its MR value.,Cc1c(C2CC2)oc2cc(=O)ccc-2c1C(=O)[OH]
QED,Modify the molecule CCCCOCC1OC(OCCCC)(C(F)(F)CNCCCCC(NC(=O)OCc2ccccc2)C(=O)OCCCC)C(OCCCC)C(OCCCC)C1OCCCC to have a lower QED value.,CCCCOCC1OC(OCCCC)(C(O)(F)CNCCCCC(NC(=O)OCc2ccccc2)C(=O)OCCCC)C(OCCCC)C(OCCCC)C1OCCCC
AtomNum,"There is a molecule consisting of 12 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",Cc1nc2sccn2c1CNN1CCCCC1
BondNum,"There is a molecule composed of 9 single bonds, 2 double bonds, and 4 rotatable bonds.",CC(=CC=O)CCCC(F)(F)F
FunctionalGroup,Please generate a molecule with and 1 ester group.,CCCCC([NH3+])COC1C(OC(C)=O)CC23COCC1(C)C2CCC1C3=CCC2(C)C(C(=O)[O-])C(C)(C(C)C(C)C)CCC12C
AddComponent,Please add a hydroxyl to the molecule O=C([O-])CC(c1cn[nH]c1)C1CCCCCC1.,O=C([O-])CC(c1cn[nH]c1)C1CCCCC(O)C1
SubComponent,Modify the molecule halo by substituting a Nc1nc(C2CC2)nc2c(Br)cc(Br)cc12 with a aldehyde.,CC(=O)c1cc(Br)cc2c(N)nc(C3CC3)nc12
DelComponent,Remove a amide from the molecule O=C1CNC(=O)N1CCSc1nnc(Cc2cccs2)n1-c1ccccc1.,NC(=O)CCSc1nnc(Cc2cccs2)n1-c1ccccc1
LogP,Modify the molecule CC(C)CC(O)c1ccc(C=C2CC[NH+](C3CCC3)CC2)cc1 to increase its LogP value.,CC(C)CC(O)c1ccc(C=C2CC[NH+](C3CCC3c3ccccc3)CC2)cc1
MR,Modify the molecule COC(=O)C(Cc1cc2ccccc2n1Cc1ccccc1)NC(=O)OC(C)(C)C to have a lower MR value.,COC(=O)C(Cc1cc2ccccc2n1C)NC(=O)OC(C)(C)C
QED,Modify the molecule CCN(C)C(=O)CC([NH3+])CC(C)(C)C to increase its QED value.,CCN(C)C(=O)CC([NH3+])(CC(C)(C)C)C(=O)O
AtomNum,"The molecule consists of 11 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",Cc1nc(Br)cc(Oc2ccc([N+](=O)[O-])cc2F)n1
BondNum,"The molecule has 10 single bonds, 1 double bond, 9 rotatable bonds, and 36 aromatic bonds.",OC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
FunctionalGroup,Please generate a molecule composed of and 1 amine group.,CN(c1ncnc(N(C)C2CC[NH+](C)CC2)c1N)C1CC[NH+](C)CC1
AddComponent,Add a benzene ring to the molecule CCCNC(=O)c1ccc(S(=O)(=O)N(C)C)o1.,CCCNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)o1
SubComponent,Modify the molecule hydroxyl by substituting a CC(=O)NC1C(O)OC(CO)C(OC2OC(COP(=O)([O-])[O-])C(O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(COP(=O)([O-])[O-])C(O)C(O)C2O)C1O with a aldehyde.,CC(=O)C1OC(CO)C(OC2OC(COP(=O)([O-])[O-])C(O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(COP(=O)([O-])[O-])C(O)C(O)C2O)C(O)C1NC(C)=O
DelComponent,Modify the molecule amide by removing a COC(=O)CCN(CC1CCCO1)C(=O)COC(C)(C)C.,COC(=O)CC(CC1CCCO1)OC(C)(C)C
LogP,Modify the molecule CS(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1Cl to decrease its LogP value.,CS(=O)c1ccc(NC(=O)C(C)(NO)C(F)(F)F)c(Cl)c1Cl
MR,Please optimize the molecule CNc1ccc(Cl)c(C(=O)NCC[NH+](C)C(C)C)n1 to have a higher MR value.,CC(=O)c1ccc(NC)nc1C(=O)NCC[NH+](C)C(C)C
QED,Optimize the molecule CCc1cc(-c2ccccc2OCOC)c(C(C)C)c(-c2ccccc2OCOC)c1-c1ccccc1OCOC to have a higher QED value.,CCc1cc(OCOC)c(C(C)C)c(-c2ccccc2OCOC)c1-c1ccccc1OCOC
AtomNum,"The molecule has 16 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC(NC(=O)C(C)(C)C)C(=O)N1CCC(OCCC[NH3+])CC1
BondNum,"There is a molecule composed of 13 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCOc1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)c([N+](=O)[O-])c1
FunctionalGroup,The molecule is composed of and 1 hydroxyl group.,Cc1nnc(C[NH+]2CC(O)C2)o1
AddComponent,Please add a amine to the molecule CC(C)N1CCCc2cc(C(=CC=O)c3ccccc3)ccc21.,CC(C)N1CCCc2cc(C(=CC=O)c3ccccc3)cc(N)c21
SubComponent,Please substitute a halo in the molecule O=C([O-])C1CCC(Oc2nc3c(F)c(-c4ccc(-c5ccc(C(=O)N6CCC(O)CC6)cc5)cc4)c(F)cc3[nH]2)CC1 with a thiol.,O=C([O-])C1CCC(Oc2nc3c(S)c(-c4ccc(-c5ccc(C(=O)N6CCC(O)CC6)cc5)cc4)c(F)cc3[nH]2)CC1
DelComponent,Please remove a CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC from the molecule hydroxyl.,CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COP(=O)([O-])OCCCOP(=O)([O-])OCC(COC(=O)CCCCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
LogP,Please modify the molecule Oc1ccc(-c2nc(-c3ncccc3Br)no2)cc1 to decrease its LogP value.,Oc1nc(-c2ncccc2Br)no1
MR,Optimize the molecule C[NH+]1CCC(Nc2ccc(I)cn2)C1 to have a lower MR value.,CC(=O)c1ccc(NC2CC[NH+](C)C2)nc1
QED,Please modify the molecule OC(c1ccccc1Cl)c1csc2c(Br)cccc12 to decrease its QED value.,ONC(c1ccccc1Cl)c1csc2c(Br)cccc12
AtomNum,"There is a molecule composed of 17 carbon atoms, and 5 oxygen atoms.",COc1ccc(OC(=O)OCCOCc2ccccc2)cc1
BondNum,"The molecule is composed of 8 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",COc1cnn(C)c1C([NH3+])c1ccc(C)cc1C
FunctionalGroup,There is a molecule consisting of and 2 benzene ring groups.,c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1
AddComponent,Modify the molecule COCC#CCSc1cnccn1 by adding a hydroxyl.,COCC#CCSc1nccnc1O
SubComponent,Modify the molecule CCC1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 by substituting a halo with a hydroxyl.,CCC1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2O)C1
DelComponent,Modify the molecule Fc1ccc(Nc2cc(-c3ccccn3)nc(Cl)n2)cc1Cl by removing a amine.,Fc1ccc(-c2cc(-c3ccccn3)nc(Cl)n2)cc1Cl
LogP,Modify the molecule CC1CC(C(=O)Nc2ccc(Cl)cc2C#CCCO)CO1 to have a lower LogP value.,CC(=O)c1ccc(NC(=O)C2COC(C)C2)c(C#CCCO)c1
MR,Modify the molecule CCc1cc2ccc(Br)cc2o1 to increase its MR value.,O=C(O)CCc1cc2ccc(Br)cc2o1
QED,Please modify the molecule O=C1CN(CC(=O)N(CC2CCOC2)C2CC2)C(=O)N1 to decrease its QED value.,O=CNCC(=O)N(CC1CCOC1)C1CC1
AtomNum,"The molecule is composed of 8 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cc1nc([N+](=O)[O-])c(N(C)CC[NH3+])n1C
BondNum,"There is a molecule composed of 6 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",CC(NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1
FunctionalGroup,Please generate a molecule composed of and 1 sulfide group.,Cc1sc(C(=O)[O-])cc1C[NH+]1CCOCC1C
AddComponent,Modify the molecule C=C1CCCOC1=CC(=CC)C(CC(=O)OC)[NH2+]CC by adding a hydroxyl.,C=C1CCCOC1=CC(=CC)C(CC(=O)OCO)[NH2+]CC
SubComponent,Substitute a halo in the molecule COc1cc(Cl)c(C)cc1NC(=O)C(Sc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1 with a hydroxyl.,COc1cc(O)c(C)cc1NC(=O)C(Sc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1
DelComponent,Please remove a O=C1CCC(C(=O)N2CCN(C3CC3)c3ccccc32)=NN1 from the molecule amide.,O=C(C1=NC1)N1CCN(C2CC2)c2ccccc21
LogP,Optimize the molecule COC(C)=C(C(=O)[O-])c1ccc(Cl)cc1COc1cccc(N2CCOCC2)c1 to have a lower LogP value.,COC(C)=C(C(=O)[O-])c1ccc(C#N)cc1COc1cccc(N2CCOCC2)c1
MR,Please optimize the molecule N#CCCN1CCC(C(=O)NCC2CCCO2)CC1 to have a higher MR value.,O=C(NCC1CCCO1)C1CCN(CCI)CC1
QED,Modify the molecule CC=C(CB1OC2C3CCC(C)(C3(C)C)C2(c2ccccc2)O1)C(=O)OC to have a higher QED value.,CC=C(CB1OC2C3CCC(C)(C2O1)C3(C)C)C(=O)OC
AtomNum,"There is a molecule consisting of 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COC(=O)C1CCC2CCC1(Sc1ccccc1)[NH+]2C
BondNum,"The molecule contains 17 single bonds, 1 double bond, 4 rotatable bonds, and 15 aromatic bonds.",CCOc1nc(C(=O)[O-])nc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3
FunctionalGroup,Please generate a molecule with and 1 hydroxyl group.,C=CCCC(C)[NH2+]CC(O)CC
AddComponent,Please add a carboxyl to the molecule C[NH2+]C1CCC(C(C)C)CC1CCOCCCOC.,C[NH2+]C1CCC(C(C)(C)C(=O)O)CC1CCOCCCOC
SubComponent,Substitute a CCCCCCOC(=O)Nc1nc(=O)n(C2CSC(COC(C)=O)O2)cc1F in the molecule halo with a nitrile.,CCCCCCOC(=O)Nc1nc(=O)n(C2CSC(COC(C)=O)O2)cc1C#N
DelComponent,Remove a CCC(CC)(C[NH3+])C(=O)NCC(F)F from the molecule amide.,CCC(C(F)F)C(C)C[NH3+]
LogP,Optimize the molecule CCCCN(CCCC)S(=O)(=O)c1ccnc(NN)c1 to have a higher LogP value.,CCCCN(CCCC)S(=O)(=O)c1ccnc(N)c1
MR,Modify the molecule O=C1C(=Nc2cccc(Cl)c2)c2ccccc2N1C[NH+]1CCOCC1 to have a lower MR value.,O=C1C(=NCl)c2ccccc2N1C[NH+]1CCOCC1
QED,Please modify the molecule CCOC(=O)C1=C(C)[NH2+]C(C)C(Nc2nc(-c3ccc(O)c(O)c3)cs2)(C(=O)OCC)C1c1ccccc1 to increase its QED value.,CCOC(=O)C1=C(C)[NH2+]C(C)C(Nc2nc(-c3ccc(O)c(O)c3)cs2)(C(=O)OCC)C1
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",CC(C)[NH+](CCNC(=O)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)C(C)C
BondNum,"The molecule has 7 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCCc1csc(CCCS)n1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amine group.",CC(C)(C)OC(=O)N1CCC(c2nnc(NCc3ccccc3)o2)C1
AddComponent,Add a hydroxyl to the molecule COc1ccc2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccc7cc(CC(C)C)cc8ccc5c6c78)ccc3-4)ccc2c1.,COc1ccc2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccc7cc(CC(C)C)cc8cc(O)c5c6c78)ccc3-4)ccc2c1
SubComponent,Modify the molecule halo by substituting a O=CN1CC[NH+](CCC(=O)Nc2c(F)cccc2F)CC1 with a hydroxyl.,O=CN1CC[NH+](CCC(=O)Nc2c(O)cccc2F)CC1
DelComponent,Modify the molecule halo by removing a CC(C)(C)n1nc(Cc2cccc3c(F)cccc23)c2c(N)ncnc21.,CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21
LogP,Modify the molecule CC(C)(C)C1OCCCC1CNC(=O)CCN1C(=O)CSc2ccccc21 to increase its LogP value.,CC(C)(C)C1OCCCC1CCN1C(=O)CSc2ccccc21
MR,Optimize the molecule CCc1cc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)n(C)n1 to have a higher MR value.,CCc1cc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(CC=O)CC2)n3C)n(C)n1
QED,Modify the molecule CCOC(=O)c1c(NC(=O)CN2C(=O)C(=O)N(CCOC)C2=O)sc(C)c1-c1ccc(C)cc1 to increase its QED value.,CCOC(=O)c1c(NC(=O)CN2C(=O)C(=O)N(CCOC)C2=O)sc(C)c1C
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",O=C(CCN1C(=O)c2ccccc2C1=O)OCc1cccc2ccccc12
BondNum,"The molecule is composed of 8 single bonds, 6 double bonds, and 1 rotatable bond.",C1=CCC(=CC=C2C=CC=N2)C=C1
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,CCC[NH2+]C(c1ccccc1OC)C1CN(C)CCN1C
AddComponent,Modify the molecule CCC[NH+]=C(N)NC1Cc2ccccc2C1 by adding a hydroxyl.,CCC[NH+]=C(N)NC1Cc2ccccc2C1O
SubComponent,Please substitute a halo in the molecule C=C(Cl)CNC(=O)c1scc(C)c1Cl with a carboxyl.,C=C(CNC(=O)c1scc(C)c1Cl)C(=O)[OH]
DelComponent,Modify the molecule amide by removing a O=C(C1CC1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.,Clc1ccc(C2CCCCCO2)cc1Cl
LogP,Please modify the molecule Cc1cc(C)c(OCCCCO)cc1N to increase its LogP value.,Cc1cc(C)c(OCCCCO)c(-c2ccccc2)c1N
MR,Modify the molecule COc1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 to have a higher MR value.,COc1cc(NC(=O)C2(C[NH3+])CCCC2)ccc1-c1ccccc1
QED,Modify the molecule C=CC(=O)N1CCCC([NH2+]C(O)c2sc3nccc4c3c2NC(=O)N4c2ccc(S(F)(F)(F)(F)F)cc2C)C1 to decrease its QED value.,C=CC(=O)N1CCCC([NH2+]C(O)c2sc3nccc4c3c2NC(=O)N4c2ccc(S(F)(F)(F)(F)C(=O)[OH])cc2C)C1
AtomNum,"The molecule is composed of 21 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",C[NH+](C)CCn1c(=O)c2cccc([N+](=O)[O-])c2c2cnc3cc4c(cc3c21)OCO4
BondNum,"There is a molecule with 24 single bonds, 4 double bonds, 15 rotatable bonds, and 12 aromatic bonds.",CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)C(C)C)C(=O)[O-]
FunctionalGroup,The molecule has and 1 halo group.,CC1CN(C(C)c2ccc(Br)o2)CC[NH2+]1
AddComponent,Please add a hydroxyl to the molecule S=C(S)NCC[NH2+]C(S)S.,OC(S)(S)[NH2+]CCNC(=S)S
SubComponent,Modify the molecule C[NH2+]C(c1cc(C)c(Br)cc1C)C1(C)CCCO1 by substituting a halo with a nitrile.,C[NH2+]C(c1cc(C)c(C#N)cc1C)C1(C)CCCO1
DelComponent,Please remove a hydroxyl from the molecule CCC1CCC(C[NH3+])(C(O)c2cc(Cl)cc(Cl)c2)C1.,CCC1CCC(C[NH3+])(Cc2cc(Cl)cc(Cl)c2)C1
LogP,Modify the molecule CCCCN1CC=CC23SC4(C)C=CCN(C)C(=O)C4C2C(=O)N(C(CO)CC(C)C)C3C1=O to increase its LogP value.,CCCCN1CC=CC23SC4(C)C=CCN(C)C(=O)C4C2C(=O)N(C(C)CC(C)C)C3C1=O
MR,Please modify the molecule NC[N+]1(CCCCCS)CCCC1 to increase its MR value.,NC[N+]1(CCCCCI)CCCC1
QED,Modify the molecule O=C([O-])c1cccc2c1CNc1ccccc1S2 to decrease its QED value.,O=C([O-])c1cccc2c1Cc1ccccc1S2
AtomNum,"Please generate a molecule consisting 38 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 fluorine atom.",CCN(CC)C(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cccc(C(=O)Nc4ccc(C)c(F)c4)c3)CC2)c1C
BondNum,"The molecule is composed of 16 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",FC(F)(F)c1cccnc1OC1CC2(CCOCC2)C1
FunctionalGroup,The molecule contains and 1 benzene ring group.,CC(CC(=O)[O-])C1(C(=O)[O-])CCCCC1(Cc1ccccc1)C(=O)[O-]
AddComponent,Modify the molecule CSCCC(CO)NC(c1ccccc1)C(F)(F)F by adding a carboxyl.,CSCCC(CO)NC(c1ccc(C(=O)O)cc1)C(F)(F)F
SubComponent,Modify the molecule hydroxyl by substituting a C[NH+]1CCC23c4c5c(N)cc(O)c4OC2C(O)C=CC3C1C5 with a thiol.,C[NH+]1CCC23c4c5c(N)cc(S)c4OC2C(O)C=CC3C1C5
DelComponent,Modify the molecule amide by removing a O=C1COc2cc(S(=O)(=O)N3CCC(C(=O)N4CCCC4)CC3)ccc2N1.,O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)O3)CC1)N1CCCC1
LogP,Please optimize the molecule COc1ccc(CNC(=O)Cn2c(C(F)(F)F)nc3cc4c(cc32)OCCO4)cc1OC to have a lower LogP value.,COc1ccc(CNC(=O)Cn2c(C(F)(F)S)nc3cc4c(cc32)OCCO4)cc1OC
MR,Optimize the molecule Fc1cccc(Cl)c1-n1cc[nH]c1=S to have a higher MR value.,S=c1[nH]ccn1-c1ccccc1Cl
QED,Please modify the molecule COc1cccc(CCNC(=O)c2cc(NCC(C)C)nc(C)n2)c1 to decrease its QED value.,COCCNC(=O)c1cc(NCC(C)C)nc(C)n1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC(C)c1ccc(Nc2cccc(F)c2C#N)cc1
BondNum,"Please generate a molecule composed of 11 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",Cc1ocnc1CNC(=O)NC1CCc2[nH]ncc2C1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 halo group.",CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)C2c2cn(C)c3ccccc23)c1
AddComponent,Please add a benzene ring to the molecule NOCCc1cc2c(cc1O)OCO2.,NOCCc1cc2c(cc1O)OC(c1ccccc1)O2
SubComponent,Substitute a halo in the molecule Cc1cc(Br)c(OCC(=O)NCC(N)=O)c(Br)c1 with a nitro.,Cc1cc(Br)c(OCC(=O)NCC(N)=O)c(NO)c1
DelComponent,Remove a benzene ring from the molecule O=S(=O)(CC1CCC2(C1)OC(c1ccccc1)C(c1ccccc1)O2)c1nnnn1-c1ccccc1.,O=S(=O)(CC1CCC2(C1)OCC(c1ccccc1)O2)c1nnnn1-c1ccccc1
LogP,Please optimize the molecule CC(C(=O)N1CC(C)(C)OCC1C)C1CC1 to have a higher LogP value.,CC1(C)CC(C)(C2(C)CC2)CO1
MR,Please modify the molecule COCCN(CCO)c1nc(C2CC2)nc(Cl)c1C to increase its MR value.,COCCN(CCO)c1nc(C2CC2)nc(C(=O)[OH])c1C
QED,Please optimize the molecule CN1CC[NH2+]C(Cc2c(F)cccc2Cl)C1 to have a lower QED value.,CN1CC[NH2+]C(Cc2c(O)cccc2Cl)C1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(NC(C)=O)cc1NC(=O)C1CCCCC1
BondNum,"Please generate a molecule consisting 26 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(O)cc1C12Cc3[nH]c(=O)c(C(=O)NC(CC(C)C)C(N)=O)cc3CC1(O)C1C(C[NH+]1C)C2
FunctionalGroup,Please generate a molecule with and 1 hydroxyl group.,CCCCn1c(C[NH+]2CC(O)C(OCC)C2)nc2ccccc21
AddComponent,Add a hydroxyl to the molecule Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2Cl)C(C)C)CC1.,Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2Cl)C(C)(C)O)CC1
SubComponent,Please substitute a hydroxyl in the molecule CCOc1cc(-c2cc(OCC)c(O)c3ccccc23)c2ccccc2c1O with a aldehyde.,CC(=O)c1c(OCC)cc(-c2cc(OCC)c(O)c3ccccc23)c2ccccc12
DelComponent,Please remove a amide from the molecule O=C([O-])c1cnn(C2CCN(C(=O)CC3OCCc4ccccc43)CC2)c1.,O=C([O-])c1cnn(C2CCC(C3OCCc4ccccc43)C2)c1
LogP,Modify the molecule CN1CC(Nc2cc(NN)nc(C(C)(C)C)n2)CCC1=O to increase its LogP value.,CN1CC(Nc2cc(N)nc(C(C)(C)C)n2)CCC1=O
MR,Please optimize the molecule C[Si](C)(O[SiH3])[Si]([Si](C)(C)O[SiH3])([Si](C)(C)O[SiH3])[Si](C)(C)O[SiH3] to have a higher MR value.,C[Si](C)(O[SiH3])[Si]([Si](C)(C)O[SiH3])([Si](C)(C)O[SiH3])[Si](C)(CN)O[SiH3]
QED,Please optimize the molecule CC(C)(C)OC(=O)NCCC(=O)Cl to have a lower QED value.,CC(C)(C)OC(=O)NCCC(=O)S
AtomNum,"The molecule has 9 carbon atoms, 1 nitrogen atom, and 1 selenium atom.",[Se]=C=NCCc1ccccc1
BondNum,"Please generate a molecule consisting 19 single bonds, 4 rotatable bonds, and 17 aromatic bonds.",CC1COCCN1c1nc(N2CCOCC2C)c2ccc(-c3cccc(C[NH3+])c3)nc2n1
FunctionalGroup,"The molecule is composed of 1 amide group, and 1 sulfide group.",Cc1csc(=O)n1CCC(=O)N(C)Cc1cccnc1
AddComponent,Modify the molecule O=C(Nc1nncs1)c1ccc(N(CCO)C2CCC2)nc1 by adding a hydroxyl.,O=C(Nc1nncs1)c1ccc(N(CCO)C2(O)CCC2)nc1
SubComponent,Modify the molecule halo by substituting a CCC(Br)CNC(=O)c1ccc(C)c(Cl)c1 with a nitro.,CCC(CNC(=O)c1ccc(C)c(Cl)c1)NO
DelComponent,Please remove a Cc1ccc(CCC(=O)NCc2cc(=O)c(OCc3ccccc3)cn2C)cc1 from the molecule benzene ring.,COc1cn(C)c(CNC(=O)CCc2ccc(C)cc2)cc1=O
LogP,Please modify the molecule O=C(CCn1c(=O)c2ccccc2n2c(=O)n(Cc3ccccc3F)nc12)NC1CCCCC1 to increase its LogP value.,O=C(CCn1c(=O)c2ccccc2n2c(=O)n(Cc3ccc(-c4ccccc4)cc3F)nc12)NC1CCCCC1
MR,Modify the molecule COCCc1cccc2cc(C)c(NN)nc12 to decrease its MR value.,COCCc1cccc2cc(C)c(N)nc12
QED,Optimize the molecule Cc1ccc(CSc2nnc(-c3cccc(NC(=O)C=Cc4ccccc4)c3)n2C)cc1 to have a lower QED value.,Cc1ccc(CSc2nnc(-c3cccc(NC(=O)C=Cc4ccc(N)cc4)c3)n2C)cc1
AtomNum,"The molecule consists of 19 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CN(C)C1=[NH+]C2(CCN(C(=O)NCc3ccc4sccc4c3)CC2)C(=O)N1
BondNum,"The molecule is composed of 13 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",C[NH2+]C(c1c(OC)cnn1C)C1(OC)CCC1
FunctionalGroup,"Please generate a molecule with 3 halo groups, and 2 sulfide groups.",O=c1nc(C(F)(F)F)c(-c2nc3ccccc3s2)c2sc3ccccc3n12
AddComponent,Please add a carboxyl to the molecule CCOc1ccc(NS(=O)(=O)c2cc(C[NH3+])sc2C)cc1.,Cc1sc(C[NH3+])cc1S(=O)(=O)Nc1ccc(OC(C)C(=O)O)cc1
SubComponent,Substitute a halo in the molecule CCCCCCCCCCN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F with a aldehyde.,CC(=O)C(F)(C(=O)N(C)CCCCCCCCCC)C(F)(F)C(F)(F)F
DelComponent,Modify the molecule halo by removing a COc1ccc(Br)c(CNn2cn[nH]c2=S)c1OCc1ccccc1C.,COc1cccc(CNn2cn[nH]c2=S)c1OCc1ccccc1C
LogP,Modify the molecule C[NH2+]CCc1ccc(OS(C)(=O)=O)cc1 to increase its LogP value.,C[NH2+]CCc1ccc(OS(C)(=O)=O)c(-c2ccccc2)c1
MR,Please modify the molecule CCCCCCOc1cccc(C(C)=NOCc2c(C)cccc2NC(=O)C(C)CN(C)N)c1 to increase its MR value.,CCCCCCOc1cccc(C(C)=NOCc2c(C)ccc(O)c2NC(=O)C(C)CN(C)N)c1
QED,Modify the molecule CC1=Nc2c(ncc(Br)c2C)NC(=O)C1 to have a lower QED value.,CC1=Nc2c(C)ccnc2NC(=O)C1
AtomNum,"The molecule is composed of 25 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COc1ccc(C2OCCC34CC(CC23)C(C)(C)C4O)cc1OCc1ccccn1
BondNum,"Please generate a molecule composed of 16 single bonds, 4 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amine group, 2 halo groups, and 1 sulfone group.",CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(Br)c(Br)c2)cc1)C(=O)[O-]
AddComponent,Modify the molecule CCC(C)CSCC(=O)c1c(C)cc(C)cc1C by adding a hydroxyl.,CCC(C)C(O)SCC(=O)c1c(C)cc(C)cc1C
SubComponent,Substitute a hydroxyl in the molecule CC(CCc1ccc(O)cc1)C[NH2+]C(C)C with a nitro.,CC(CCc1ccc(NO)cc1)C[NH2+]C(C)C
DelComponent,Please remove a amide from the molecule [NH3+]CC1CCCN1C(=O)CSCC1CCCCO1.,[NH3+]CC1CCC[SH]1CC1CCCCO1
LogP,Please optimize the molecule Cc1ccc(Oc2ccccc2NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1 to have a lower LogP value.,Cc1ccc(ONC(=O)Cn2nnc(-c3ccccc3C)n2)cc1
MR,Please optimize the molecule CCCCCC(O)C(F)(F)Sc1ccccc1 to have a lower MR value.,CCCCCC(O)C(F)(F)S
QED,Please modify the molecule Cn1c(C(=O)N2CCC(OCC[NH+]3CCCCC3)C2)cccc1=O to decrease its QED value.,Cn1c(C(=O)N2CCC(OCC[NH+]3CCCCC3O)C2)cccc1=O
AtomNum,"There is a molecule consisting of 16 carbon atoms, and 2 nitrogen atoms.",CCC[NH2+]C1CC[NH+](C2CCC(C)C2C)CC1C
BondNum,"The molecule has 5 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",O=C(C=Cc1c[nH+]c2ccccn12)Nc1ccc(F)cn1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 ester group.",CC(C)C[NH+]1CCOC(COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1
AddComponent,Please add a hydroxyl to the molecule Cc1nn(C)cc1S(=O)(=O)NCC1CCCC[NH+]1C1CC1.,Cc1nn(C)cc1S(=O)(=O)NCC1C(O)CCC[NH+]1C1CC1
SubComponent,Modify the molecule halo by substituting a COC1CCC([NH2+]Cc2ccc(C(N)=[NH+]O)cc2F)C1 with a hydroxyl.,COC1CCC([NH2+]Cc2ccc(C(N)=[NH+]O)cc2O)C1
DelComponent,Remove a CC(C)(CCSc1ncnc2nc[nH]c12)C(N)=[NH+]O from the molecule amine.,CC(C)(C=[NH+]O)CCSc1ncnc2nc[nH]c12
LogP,Modify the molecule CC(C)N1C(=O)c2ccc(C(=O)NCCNC(=O)OCCCl)cc2C1=O to have a lower LogP value.,CC(C)N1C(=O)c2ccc(C(=O)NCCNC(=O)OCCC(=O)[OH])cc2C1=O
MR,Optimize the molecule O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccc(F)cc2)cs1 to have a lower MR value.,Fc1ccc(-c2csc(Sc3ncn(-c4ccccc4)n3)n2)cc1
QED,Please modify the molecule CC(C)N(CC#N)C1CC2CCC1C2 to decrease its QED value.,CC(C)N(C)C1CC2CCC1C2
AtomNum,"The molecule has 19 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",C[NH+]=C(NCCCC(=O)N1Cc2ccccc2C1)NC1CCCC1
BondNum,"The molecule contains 24 single bonds, 2 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",COC(=O)C1CCC(Nc2nc(-c3cc(C)ccc3OCc3ccc(C(=O)N4CCCCC4)cc3C)cs2)C1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 halo groups.",CCCNC(=O)N(CCOC)Cc1nccn1Cc1ccc(F)c(F)c1
AddComponent,Modify the molecule O=C(NCC(CO)Cc1cc(F)ccc1F)c1ccccc1OCc1ccc(F)cc1 by adding a benzene ring.,O=C(NCC(CO)(Cc1cc(F)ccc1F)c1ccccc1)c1ccccc1OCc1ccc(F)cc1
SubComponent,Please substitute a halo in the molecule O=C([O-])c1ccnc2cc(Cc3ccc(C(F)(F)F)cc3)[nH]c12 with a nitro.,ONC(F)(F)c1ccc(Cc2cc3nccc(C(=O)[O-])c3[nH]2)cc1
DelComponent,Modify the molecule aldehyde by removing a CCCCCC=CCC=CCC=CCC=CCCCCCC=O.,CCCCC=CCC=CCC=CCC=CCCCCC
LogP,Modify the molecule CC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)C1CCCC1 to decrease its LogP value.,CC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)C1CCCC1N
MR,Please optimize the molecule CC(C)n1cc2cc3c(cc2c1O)CC[NH2+]CC3 to have a lower MR value.,CC(C)n1cc2cc3c(cc2c1)CC[NH2+]CC3
QED,Modify the molecule C=Cc1cc(CC(C)C(C)Cc2ccc(OC)c(O)c2)ccc1OC to decrease its QED value.,C=Cc1cc(CC(C)C(C)Cc2ccc(OC)c(NO)c2)ccc1OC
AtomNum,"There is a molecule consisting of 9 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",FC(F)(F)SCc1cn(C2[CH][CH][CH][CH]2)nn1
BondNum,"Please generate a molecule composed of 19 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",C[NH+]1CCC2CCN(C(=O)NCc3nc(C4CC4)no3)C2C1
FunctionalGroup,The molecule consists of and 2 benzene ring groups.,C=CCOc1ccccc1CNC(=O)NC(C)c1cc(C)cc(C)c1
AddComponent,Modify the molecule C=C(C)C1CCC2([NH2+]CCN3CCN(S(C)(=O)=O)CC3)CCC3(C)C(CCC4C5(C)CC=C(C6=CCC(CF)(C(=O)OCc7ccccc7)CC6)C(C)(C)C5CCC43C)C12 by adding a carboxyl.,C=C(C)C1CCC2([NH2+]CCN3CCN(S(C)(=O)=O)CC3)CCC3(C)C(CCC4C5(C)CC=C(C6=CCC(CF)(C(=O)OCc7ccccc7)CC6)C(C)(CC(=O)O)C5CCC43C)C12
SubComponent,Please substitute a halo in the molecule Clc1nc(C2CC2)nc2sncc12 with a aldehyde.,CC(=O)c1nc(C2CC2)nc2sncc12
DelComponent,Modify the molecule benzene ring by removing a N#CC(C(=O)C1CCC(F)(F)CC1)c1ccccc1Cl.,N#CC(Cl)C(=O)C1CCC(F)(F)CC1
LogP,Please optimize the molecule COc1ccc(C(=O)OCc2ccn(C)n2)cc1N to have a higher LogP value.,COc1ccc(C(=O)OC(c2ccccc2)c2ccn(C)n2)cc1N
MR,Please optimize the molecule CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl to have a higher MR value.,CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)N(C)Cc1ccccc1Cl
QED,Optimize the molecule O=C(Nc1cncc(-c2cc(F)c3[nH]nc(-c4nc5c(-c6ccncc6)ccnc5[nH]4)c3c2)c1)c1ccccc1 to have a lower QED value.,O=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccncc6)ccnc5[nH]4)n[nH]c3c(F)c2O)c1)c1ccccc1
AtomNum,"Please generate a molecule with 21 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",NC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1
BondNum,"There is a molecule with 9 single bonds, and 6 aromatic bonds.",Cc1cc(N)c2c(c1)COC(C)(C)O2
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 2 amide groups, and 3 halo groups.",CCc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC)c(COc2c(Br)cc(Br)cc2Br)c1
AddComponent,Modify the molecule CCN(CCCC[NH2+]C(C)C)c1ccccc1C by adding a amine.,CCN(c1ccccc1C)C(N)CCC[NH2+]C(C)C
SubComponent,Modify the molecule halo by substituting a Cc1nn(CCCNC(=O)c2c(C)nn(C)c2C)c(C)c1Br with a hydroxyl.,Cc1nn(CCCNC(=O)c2c(C)nn(C)c2C)c(C)c1O
DelComponent,Please remove a amine from the molecule NS(=O)(=O)N1CCN(C(=O)CCBr)CC1.,O=C(CCBr)N1CCN([SH](=O)=O)CC1
LogP,Optimize the molecule Nc1ncnc2c1ncn2C1OC(CN2CC3(CCC[NH2+]3)C2)C(O)C1O to have a higher LogP value.,Nc1ncnc2c1ncn2C1CC(O)C(CN2CC3(CCC[NH2+]3)C2)O1
MR,Optimize the molecule CONC(=O)Nc1ccc(CC(NC(=O)C(CO)NC(=O)C(Cc2cccnc2)NC(=O)C(Cc2ccc(Cl)cc2)NC(=O)C(Cc2ccc3ccccc3c2)NC(C)=O)C(=O)NC(Cc2ccc(NC(N)=O)cc2)C(=O)NC(CC(C)C)C(=O)NC(CCCC[NH2+]C(C)C)C(=O)N2CCCC2C(=O)NC(C)C(N)=O)cc1 to have a higher MR value.,CONC(=O)Nc1ccc(CC(NC(=O)C(CC(=O)[OH])NC(=O)C(Cc2cccnc2)NC(=O)C(Cc2ccc(Cl)cc2)NC(=O)C(Cc2ccc3ccccc3c2)NC(C)=O)C(=O)NC(Cc2ccc(NC(N)=O)cc2)C(=O)NC(CC(C)C)C(=O)NC(CCCC[NH2+]C(C)C)C(=O)N2CCCC2C(=O)NC(C)C(N)=O)cc1
QED,Optimize the molecule NC(=O)NC(O)COc1ccccc1 to have a higher QED value.,NC(=O)NC(Br)COc1ccccc1
AtomNum,"The molecule is composed of 5 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",N=CCn1ccnc1[N+](=O)[O-]
BondNum,"There is a molecule consisting of 10 single bonds, 4 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CC(=O)Nc1nc(CC(=O)Nc2cccc(NS(C)(=O)=O)c2)cs1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, 1 halo group, 1 thioether group, and 1 sulfide group.",CC1(c2nnn(CC(=O)[O-])n2)C[NH+]=C(N2CCC3(C=C(c4ccc(Br)cc4)c4ccccc4O3)CC2)S1
AddComponent,Modify the molecule NP(OCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 by adding a benzene ring.,NP(OCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCSC(c1ccccc1)(c1ccccc1)c1cccc(-c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a O=C(Nc1cnc(Nc2cccc(OCC[NH+]3CCCC3)c2)nc1)c1cc(Br)ccc1Cl with a carboxyl.,O=C([OH])c1ccc(Cl)c(C(=O)Nc2cnc(Nc3cccc(OCC[NH+]4CCCC4)c3)nc2)c1
DelComponent,Please remove a hydroxyl from the molecule Cc1ccc(F)cc1CC(O)c1cccnc1.,Cc1ccc(F)cc1CCc1cccnc1
LogP,Optimize the molecule COC(=O)c1c(Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 to have a lower LogP value.,COC(=O)c1c(Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccc(O)cc1
MR,Please optimize the molecule N#Cc1cccc(NC(=O)Nc2cccc3[nH]c(=O)oc23)c1 to have a higher MR value.,O=C(Nc1cccc(S)c1)Nc1cccc2[nH]c(=O)oc12
QED,Modify the molecule CCOc1ccc(CN2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)CCO4)C2c2ccccc2)cc1 to increase its QED value.,CCOc1ccc(CN2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)CC(O)O4)C2c2ccccc2)cc1
AtomNum,"Please generate a molecule consisting 38 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 fluorine atom.",Cc1cc(C(=O)Nc2ccccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cc(NC(=O)C(C)C)ccc2F)CC1
BondNum,"Please generate a molecule consisting 14 single bonds, 3 double bonds, 5 rotatable bonds, and 22 aromatic bonds.",COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)c(C)c4)C3c3ccc(F)cc3)oc12
FunctionalGroup,"The molecule contains 2 benzene ring groups, 2 amide groups, and 1 halo group.",Cc1cc(C(=O)NNC(=O)c2ccccc2I)c(C)n1-c1ccccc1
AddComponent,Modify the molecule C=CC(C)([NH3+])c1ccc(F)cc1Cl by adding a amine.,C=C(N)C(C)([NH3+])c1ccc(F)cc1Cl
SubComponent,Substitute a halo in the molecule CCN(CC)C(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cc(NC(=O)c4ccccc4F)ccc3F)CC2)c1 with a hydroxyl.,CCN(CC)C(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cc(NC(=O)c4ccccc4O)ccc3F)CC2)c1
DelComponent,Remove a benzene ring from the molecule CSc1ccc(-c2noc(Cn3ccn(-c4ccc(Cl)cc4)c(=O)c3=O)n2)cc1.,CSc1ccc(-c2noc(Cn3ccn(Cl)c(=O)c3=O)n2)cc1
LogP,Please optimize the molecule Cc1ccc(Cl)c(NC(=O)CSc2nnc(-c3ccncc3)o2)c1 to have a higher LogP value.,Cc1ccc(Cl)c(Sc2nnc(-c3ccncc3)o2)c1
MR,Please modify the molecule CCC(C)(C)C(=O)NCC1(c2ccc(F)cc2)CCCC1 to decrease its MR value.,CCC(C)(C)C(=O)NCC1(F)CCCC1
QED,Modify the molecule COC(CNc1nc(=O)c2[nH]cnc2[nH]1)OC to have a lower QED value.,COC(CNc1nc(=O)c2[nH]cnc2[nH]1)(OC)c1ccccc1
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 1 chlorine atom, and 1 bromine atom.",Nc1ccc(CS(=O)(=O)Nc2ccc(Cl)c(Br)c2)cc1
BondNum,"The molecule is composed of 2 single bonds, 1 double bond, 1 rotatable bond, and 16 aromatic bonds.",Cn1cc(-c2ccco2)c(=O)c2ccccc21
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CC(CO)CNC(=O)c1ccccc1OCC1CC1
AddComponent,Modify the molecule CCOC1CC(Nc2ccc3cn[nH]c3c2)C12CCCC2 by adding a benzene ring.,CCOC1CC(Nc2ccc3c(-c4ccccc4)n[nH]c3c2)C12CCCC2
SubComponent,Modify the molecule halo by substituting a COc1ccc(OC)c(N2C(=O)C(Cl)=C(Nc3ccc(NC(C)=O)cc3)C2=O)c1 with a nitro.,COc1ccc(OC)c(N2C(=O)C(NO)=C(Nc3ccc(NC(C)=O)cc3)C2=O)c1
DelComponent,Modify the molecule benzene ring by removing a CC1(C)c2ccccc2-n2c3c(-c4ccccc4-c4nc5ccccc5n4-c4ccccc4)cccc3c3cccc1c32.,CC1(C)c2ccccc2-n2c3c(-c4nc5ccccc5n4-c4ccccc4)cccc3c3cccc1c32
LogP,Modify the molecule C=C(C)CC[NH+]1CC2CC3(c4cc(O)ccc4C)CC([NH3+])(C(N)=O)CCC3(O)C21 to decrease its LogP value.,C=C(C)CC[NH+]1CC2CC3(OC)CC([NH3+])(C(N)=O)CCC3(O)C21
MR,Please modify the molecule Cc1ccc(Nc2ccnc(N)n2)cc1 to decrease its MR value.,CNc1ccnc(N)n1
QED,Modify the molecule Cc1[nH]c2c(F)ccc(C)c2c1CO to decrease its QED value.,Cc1[nH]c2c(F)ccc(C)c2c1C
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(C[NH3+])NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1
BondNum,"The molecule contains 21 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(Cl)c1NC(=O)C(c1ccccc1)N(C(=O)C(C)NC(=O)OC(C)(C)C)C1CC1
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, 3 halo groups, and 2 sulfide groups.",COc1cc(OCc2csc(C(C)(O)C(F)(F)F)n2)c2cc(-c3cn4nc(OC)sc4[nH+]3)oc2c1
AddComponent,Modify the molecule COc1ccc(C(C[NH3+])N2CCCC2)c(Cl)c1 by adding a amine.,COc1ccc(C(C[NH3+])N2CCCC2)c(Cl)c1N
SubComponent,Modify the molecule halo by substituting a CCCCc1nc(N2CCCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)c2c(-c3ccc4ccccc4c3)noc2n1 with a thiol.,CCCCc1nc(N2CCCN(C(=O)Nc3ccccc3C(F)(F)S)CC2)c2c(-c3ccc4ccccc4c3)noc2n1
DelComponent,Please remove a CC(=O)N1CCC(c2[nH]nc(N)c2-c2ccccc2)CC1 from the molecule amide.,Nc1n[nH]c(C2CCCC2)c1-c1ccccc1
LogP,Modify the molecule COc1ccccc1N1C(=O)CN(c2ccccc2)C1=O to increase its LogP value.,COc1ccccc1N(C=O)c1ccccc1
MR,Optimize the molecule CC1(C)OC2OC3C4C(O)COC3(CCN4C(=O)OCC(Cl)(Cl)Cl)C2O1 to have a lower MR value.,CC1(C)OC2OC3C4CCOC3(CCN4C(=O)OCC(Cl)(Cl)Cl)C2O1
QED,Please modify the molecule O=S(=O)(C1CCOC1)N1CCc2cc(Cl)ccc21 to decrease its QED value.,O=S(=O)(C1CCOC1)N1CCc2ccccc21
AtomNum,"The molecule contains 16 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",C=C1c2ccccc2C(=O)N1c1cccc(C[NH3+])c1
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",CCc1cccc(CC)c1NC(=O)COc1ccccc1CO
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ketone group, 1 ester group, 2 amide groups, 1 nitro group, and 2 halo groups.",O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
AddComponent,Add a hydroxyl to the molecule CCN(CC)C(=O)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O.,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=CC=Cc1cccc(O)c1)C2=O
SubComponent,Please substitute a CC(C)(CO)C(C)([NH3+])c1cnccn1 in the molecule hydroxyl with a carboxyl.,CC(C)(CC(=O)[OH])C(C)([NH3+])c1cnccn1
DelComponent,Remove a halo from the molecule Cc1n[nH]c(C)c1S(=O)(=O)Nc1c(Cl)cc(Br)cc1Cl.,Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Br)cc1Cl
LogP,Optimize the molecule C=CC(NC1=CCC(CC(C)(C)O)CN1S(C)(=O)=O)=[NH+]CO to have a higher LogP value.,C=CC(NC1=CC(c2ccccc2)C(CC(C)(C)O)CN1S(C)(=O)=O)=[NH+]CO
MR,Please modify the molecule CCCCCCCCC(=O)C=CC1CCCC2(C1)OCCO2 to increase its MR value.,CCCCCCCCC(=O)C=CC1CCCC2(C1)OCC(N)O2
QED,Modify the molecule O=C1COc2ccc(C(=O)NCC(O)C(=O)[O-])cc2N1 to have a higher QED value.,N#CC(CNC(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CSc1nc(N)cc(OCc2ccco2)n1
BondNum,"Please generate a molecule with 10 single bonds, 3 double bonds, and 8 rotatable bonds.",C=CCN(CCO)S(=O)(=O)CCCF
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 1 amine group, 2 halo groups, and 1 sulfone group.",Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl
AddComponent,Modify the molecule CCCCCC(C)(C[NH3+])N(CCCOC)CCOC by adding a benzene ring.,CCCCCC(C)(C[NH3+])N(CCOC)CCC(OC)c1ccccc1
SubComponent,Please substitute a halo in the molecule CCC(O)(CC)CNc1ccc(Cl)c(Cl)c1 with a hydroxyl.,CCC(O)(CC)CNc1ccc(O)c(Cl)c1
DelComponent,Please remove a amine from the molecule O=[N+]([O-])c1ccc(C=NNc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1.,O=[N+]([O-])c1ccc(C=Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1
LogP,Modify the molecule CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(F)c1 to have a lower LogP value.,CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C(=O)[OH])c1
MR,Modify the molecule CCn1cc(-c2n[nH]c(=O)n2Cc2ccccc2)cn1 to decrease its MR value.,CCn1cc(-c2n[nH]c(=O)n2C)cn1
QED,Please optimize the molecule CCCC(C)NC(=O)COc1ccccc1C#N to have a lower QED value.,CC(CCCO)NC(=O)COc1ccccc1C#N
AtomNum,"There is a molecule composed of 9 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, 1 chlorine atom, and 1 bromine atom.",Cc1[nH]ncc1S(=O)(=O)Nc1cnc(Cl)c(Br)c1
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 6 rotatable bonds, and 15 aromatic bonds.",O=C(C=Cc1ccsc1)NCC(O)(c1ccoc1)c1ccco1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 halo group, 1 thioether group, and 1 sulfide group.",C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cc(Cl)ccc1C
AddComponent,Modify the molecule C=CCCCCCCCc1nnc(-c2ccccc2)c(-c2ccccc2)n1 by adding a benzene ring.,C=CCCCCCC(Cc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule CCC[NH2+]CC(=O)NC1CCCC1CO with a halo.,CCC[NH2+]CC(=O)NC1CCCC1CI
DelComponent,Please remove a benzene ring from the molecule Cc1ccccc1C[NH+]1CCC(c2nnc(-c3ccncc3)o2)CC1.,CC[NH+]1CCC(c2nnc(-c3ccncc3)o2)CC1
LogP,Please modify the molecule CCOc1ccccc1NC(=O)C(C)N1C(=O)C2CC=CCC2C1=O to decrease its LogP value.,CCONC(=O)C(C)N1C(=O)C2CC=CCC2C1=O
MR,Please modify the molecule COCCN(CCC#N)C(=O)NCCCCC(=O)[O-] to increase its MR value.,N#CCCN(CCOCc1ccccc1)C(=O)NCCCCC(=O)[O-]
QED,Optimize the molecule COc1ccc(CNc2nnc(SCC(=O)N(C)Cc3cccc(OC)c3)s2)cc1 to have a higher QED value.,COCNc1nnc(SCC(=O)N(C)Cc2cccc(OC)c2)s1
AtomNum,"There is a molecule composed of 22 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",O=C(OCc1ccccc1)[N+]1(Cc2ccccc2)CCc2sccc2C1=O
BondNum,"The molecule is composed of 12 single bonds, 5 rotatable bonds, and 16 aromatic bonds.",Cc1nc(C[NH+]2CCN(Cc3coc(-c4ccccc4)n3)CC2)no1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 2 hydroxyl groups, 2 amide groups, 1 halo group, 1 sulfide group, and 1 sulfone group.",O=C(CC1(c2ccc(-c3ccc(Cl)cc3)s2)CCN(C(=O)C(O)c2ccccc2)CCS1(=O)=O)NO
AddComponent,Modify the molecule CNc1cc[nH+]c(C(=O)N(C)CC[NH+]2CCCC2)c1 by adding a benzene ring.,CNc1cc[nH+]c(C(=O)N(C)CC(c2ccccc2)[NH+]2CCCC2)c1
SubComponent,Substitute a halo in the molecule CN1CC[NH+](Cc2ccc(Br)cc2)C(c2ccccc2)C1 with a nitro.,CN1CC[NH+](Cc2ccc(NO)cc2)C(c2ccccc2)C1
DelComponent,Remove a amide from the molecule C=CCN1C(=O)NC(=Cc2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O.,C=CC(Cc1cc(C)n(-c2ccc3ncccc3c2)c1C)C(N)=O
LogP,Modify the molecule O=C(CSc1nnc2ccccn12)N(Cc1ccccc1)Cc1ccco1 to increase its LogP value.,O=C(CSc1nnc2ccccn12)N(Cc1ccco1)C(c1ccccc1)c1ccccc1
MR,Optimize the molecule Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(C)(CCC(F)(F)F)N(C(=O)[O-])C(I)c1ccccc1 to have a higher MR value.,Cc1nc2c(OCc3c(F)cccc3NO)cccn2c1C(=O)NCC(C)(CCC(F)(F)F)N(C(=O)[O-])C(I)c1ccccc1
QED,Optimize the molecule Cc1nc2sc(-c3nnc(-c4ccc(Cl)cc4)o3)c(N)c2c(C)c1C to have a lower QED value.,CC(=O)c1ccc(-c2nnc(-c3sc4nc(C)c(C)c(C)c4c3N)o2)cc1
AtomNum,"The molecule contains 12 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC1CCOC1C([NH3+])CCc1cnn(C)c1
BondNum,"Please generate a molecule consisting 11 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",CCC(C)(C)Cn1ccc2c1CCCC2=O
FunctionalGroup,There is a molecule with and 2 amide groups.,CC(=O)N(CCC(=O)NCC[NH+]1CCOCC1)C1CC1
AddComponent,Add a hydroxyl to the molecule CCC[NH+](CCCc1ccc(F)cc1)CCc1ccc(N=[N+]=[N-])c(I)c1.,CCC[NH+](CCCc1ccc(F)cc1)CCc1ccc(N=[N+]=[N-])c(I)c1O
SubComponent,Please substitute a halo in the molecule Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NC12CCC(C(N)=[NH+]O)(CC1)CC2 with a carboxyl.,Cc1c(-c2ccccc2)nc2ccc(C(=O)[OH])cc2c1C(=O)NC12CCC(C(N)=[NH+]O)(CC1)CC2
DelComponent,Please remove a COc1ccc(CCC(=O)NCC(O)COc2cccc3[nH]ncc23)cc1OC from the molecule amide.,COc1ccc(CCC(O)COc2cccc3[nH]ncc23)cc1OC
LogP,Modify the molecule CCC1(C)CC1Nc1nccc(C)c1Br to decrease its LogP value.,CCC1(C)CC1Nc1cc(C)ccn1
MR,Please optimize the molecule O=C(Cc1c(F)cccc1F)Nc1cnccc1Cl to have a lower MR value.,Fc1cccc(F)c1-c1cnccc1Cl
QED,Optimize the molecule COc1ccc(C2C(c3cccc(C)c3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1O to have a lower QED value.,CC(=O)C1=C(c2cccc(C)c2)C(c2ccc(OC)c(O)c2)N(c2cccc(C(F)(F)F)c2)C1=O
AtomNum,"The molecule has 6 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 silicon atom.",CN(N=CC=O)[Si](C)(C)C
BondNum,"The molecule has 28 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CC1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CCN(C(=O)C(N)C(F)(F)F)C1)CC2
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 amine groups.",C=CCNc1cc(NCCc2ccc(OC)cc2)nc(C)n1
AddComponent,Please add a benzene ring to the molecule CCOc1ccc(C(CC)[NH+]2CCCC(C(=O)[O-])C2)cc1OC.,CCOc1ccc(C(CC)(c2ccccc2)[NH+]2CCCC(C(=O)[O-])C2)cc1OC
SubComponent,Substitute a COc1cc(NC(C)=O)c(Cl)cc1C=O in the molecule halo with a nitro.,COc1cc(NC(C)=O)c(NO)cc1C=O
DelComponent,Remove a amine from the molecule CCO[Si](C)(CCCNCC[NH2+]CCC[Si](C)(OCC)OCC)OCC.,CCO[Si](C)(CCCCC[NH2+]CCC[Si](C)(OCC)OCC)OCC
LogP,Modify the molecule CCOc1cccc2cc(C(=O)Nc3nc4c(s3)COc3ccccc3-4)oc12 to have a lower LogP value.,CCOc1cccc2cc(C(=O)Nc3nc4c(s3)COc3cccc(O)c3-4)oc12
MR,Please optimize the molecule Cc1noc(CCNC(=O)c2ccnn2C2CCCC2)n1 to have a higher MR value.,Cc1noc(CCNC(=O)c2ccnn2C2CCCC2c2ccccc2)n1
QED,Modify the molecule CCCCCCCCCCCCC#CC(O)C(O)C(COc1ccc(OC)cc1)N=[N+]=[N-] to decrease its QED value.,CCCCCCCCCCCCC#CC(O)C(O)C(COOC)N=[N+]=[N-]
AtomNum,"There is a molecule with 12 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",CC(C)(C(=O)[O-])N1CC(=O)Nc2cc(Br)ccc21
BondNum,"The molecule contains 12 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",CC(C)(C)OC(=O)C([NH2+]Cc1ccc(CO)cc1)c1ccccc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 2 halo groups.",O=C([O-])CCN(C(=O)c1cc(Br)ccc1Cl)C1CCOCC1
AddComponent,Modify the molecule CCC(CC)n1ccc(CC(C)C(=O)c2ccccc2)n1 by adding a carboxyl.,CCC(CC)n1ccc(CC(C)C(=O)c2ccccc2C(=O)O)n1
SubComponent,Please substitute a hydroxyl in the molecule CCCCCOc1cccc(C2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2ccccc2)c1 with a nitrile.,CCCCCOc1cccc(C2c3c(-c4cc(Cl)c(C)cc4C#N)n[nH]c3C(=O)N2Cc2ccccc2)c1
DelComponent,Remove a hydroxyl from the molecule CCCOc1cccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2CC[NH+]2CCCC2)c1.,CCCOc1cccc(C2C(C(=O)C(C)C)=CC(=O)N2CC[NH+]2CCCC2)c1
LogP,Please modify the molecule COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c1 to decrease its LogP value.,COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c1
MR,Optimize the molecule CCn1cc(C[NH+]2CC(C(=O)[O-])C(c3cccc(OC)c3OC)C2)cn1 to have a lower MR value.,CCn1cc(C[NH+]2CC(C(=O)[O-])C(OC)(OC)C2)cn1
QED,Modify the molecule O=C(C1CCCO1)N1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 to increase its QED value.,O=C(C1CCCO1)N1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)c(O)c(Cl)c2)CC1
AtomNum,"There is a molecule with 17 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCS(=O)(=O)C1C(c2ccccc2)C1(C=O)NC(=O)OC(C)(C)C
BondNum,"There is a molecule with 12 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC1C[NH+](Cc2ccc(Br)cc2F)CC(C)S1
FunctionalGroup,The molecule consists of and 2 benzene ring groups.,CC(CCC1CCC[NH2+]C1)n1cnc(-c2ccccc2)c1-c1ccccc1
AddComponent,Modify the molecule Cc1ccc2[se]n(C3CCC(n4[se]c5ccc(C)cc5c4=O)CC3)c(=O)c2c1 by adding a amine.,Cc1ccc2[se]n(C3CCC(n4[se]c5ccc(C)cc5c4=O)C(N)C3)c(=O)c2c1
SubComponent,Modify the molecule halo by substituting a O=C(NCc1ccccc1)C1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1 with a aldehyde.,CC(=O)c1ccc(Cc2nsc(N3CCC(C(=O)NCc4ccccc4)CC3)n2)cc1
DelComponent,Please remove a benzene ring from the molecule CCCCC(CC)(CCl)CCCc1ccccc1.,CCCCC(CC)(CCl)CCC
LogP,Modify the molecule C=C(C)COc1cc(C[NH2+]C(c2cccc(F)c2)c2nccn2C)ccc1OC to have a higher LogP value.,CC(=O)c1cccc(C([NH2+]Cc2ccc(OC)c(OCC(=C)C)c2)c2nccn2C)c1
MR,Modify the molecule Cc1nc(C2(O)CCC[NH2+]CC2)sc1CCOc1ccc(F)cc1 to increase its MR value.,Cc1nc(C2(O)CCC[NH2+]CC2)sc1CCOc1ccc(NO)cc1
QED,Modify the molecule CC12C=CC(C)(O1)C1(Br)CCC2C1=O to increase its QED value.,CC12C=CC(C)(O1)C1(C#N)CCC2C1=O
AtomNum,"There is a molecule consisting of 15 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",O=C([O-])C1CC1C(=O)Nc1ccccc1OCC1CC1
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 4 rotatable bonds, and 36 aromatic bonds.",Nc1ccc(C(c2ccc(N)cc2)(P2(=O)Cc3ccccc3-c3ccccc32)P2(=O)Oc3ccccc3-c3ccccc32)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amide groups, and 1 halo group.",CC(C)CN1CC(C(=O)Nc2ccc(Br)cc2)CC1=O
AddComponent,Modify the molecule C[NH2+]C(C)c1sc(C(OC)C(C)(C)C)nc1C by adding a carboxyl.,C[NH2+]C(CC(=O)O)c1sc(C(OC)C(C)(C)C)nc1C
SubComponent,Please substitute a hydroxyl in the molecule CC(=CCC(O)=CCO)C(C)C(=O)[O-] with a thiol.,CC(=CCC(S)=CCO)C(C)C(=O)[O-]
DelComponent,Please remove a halo from the molecule Cc1ccc(CNC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1F.,Cc1ccc(CNC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1
LogP,Please modify the molecule CC12CCN(C(=O)C3CCC(O)CC3)C(Cc3c(O)cccc31)C2(C)C to increase its LogP value.,CC12CCN(C(=O)C3CCC(O)CC3)C(c3ccccc3)(Cc3c(O)cccc31)C2(C)C
MR,Please optimize the molecule CSCCC(C)N(C)c1ccc(C(=O)[O-])cc1 to have a lower MR value.,CSCCC(C)N(C)C(=O)[O-]
QED,Modify the molecule CCCn1cccc1C[NH2+]C(C)Cc1cccc(Cl)c1 to have a lower QED value.,CCCn1cccc1C(CC=O)[NH2+]C(C)Cc1cccc(Cl)c1
AtomNum,"There is a molecule with 11 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 bromine atom.",CCOc1cc(N(C)C(C)CBr)nc(C)n1
BondNum,"There is a molecule consisting of 13 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",COC1CCN(c2c(F)cc(C(N)=[NH+]O)cc2F)C1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",COCCOCC(=O)N1CCCC(c2ncc(Cc3cccc(OC)c3)o2)C1
AddComponent,Modify the molecule CCc1ccc(-c2cn3c4ccccc4nc3n2CCOC(C)=O)cc1 by adding a nitrile.,CCc1ccc(-c2cn3c4cc(C#N)ccc4nc3n2CCOC(C)=O)cc1
SubComponent,Please substitute a halo in the molecule CC[NH2+]C(c1cc(Cl)cc2c1OCC2)C1CCS(=O)(=O)C1 with a hydroxyl.,CC[NH2+]C(c1cc(O)cc2c1OCC2)C1CCS(=O)(=O)C1
DelComponent,Remove a COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(OC)cc2)cc1 from the molecule benzene ring.,COC(=O)S(=O)(=O)N(Cc1ccc(F)cc1)Cc1ccc(OC)cc1
LogP,Please optimize the molecule CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)CN2C(=O)c4ccccc4C2=O)C3)no1 to have a lower LogP value.,CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)C(C(=O)O)N2C(=O)c4ccccc4C2=O)C3)no1
MR,Please modify the molecule Cc1c(C(N)=O)ccc(N2C=C(C(=O)[O-])C(c3ccc(F)cc3)CC2=O)c1CO to increase its MR value.,Cc1c(C(N)=O)ccc(N2C=C(C(=O)[O-])C(c3ccc(C(=O)[OH])cc3)CC2=O)c1CO
QED,Modify the molecule Brc1cc(-c2sc3cccnc3c2Br)c(Br)cc1-c1sc2cccnc2c1Br to have a higher QED value.,O=C([OH])c1cc(-c2sc3cccnc3c2Br)c(Br)cc1-c1sc2cccnc2c1Br
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 5 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCn1nnnc1SCc1ccc(Cl)c2cccnc12
BondNum,"The molecule is composed of 13 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)(C(Cl)c1cc2c(cc1Cl)OCCO2)S(C)(=O)=O
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",CC[NH2+]CC(CC)(CC)Cc1ccccc1F
AddComponent,Please add a benzene ring to the molecule CCCCCCCCNc1cccc(NS(N)(=O)=O)c1.,CCC(CCCCCNc1cccc(NS(N)(=O)=O)c1)c1ccccc1
SubComponent,Substitute a CC1CC[NH+](Cc2ccc(F)c(C#CCCO)c2)C1CO in the molecule hydroxyl with a halo.,CC1CC[NH+](Cc2ccc(F)c(C#CCCF)c2)C1CO
DelComponent,Please remove a amide from the molecule CCCCN(Cc1[nH]c(C2=CC=C(c3ccc(-c4c[nH+]c(C5CCCN5C(=O)C(CC)NC(=O)OC)[nH]4)c4nc[nH]c34)CC2)c[nH+]1)C(=O)C(NC(=O)OC)C(C)C.,CCCC(NC(=O)OC)C(c1[nH]c(C2=CC=C(c3ccc(-c4c[nH+]c(C5CCCN5C(=O)C(CC)NC(=O)OC)[nH]4)c4nc[nH]c34)CC2)c[nH+]1)C(C)C
LogP,Modify the molecule CC(C)(C)OC(=O)N1CCN(c2nc(NC(=O)C(C)(C)C)nc3c2oc2cc(Cl)ccc23)CC1 to decrease its LogP value.,CCCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2oc3cc(Cl)ccc3c2n1
MR,Modify the molecule c1ccc(-c2cc(CSc3ncnc4ccccc34)no2)cc1 to have a lower MR value.,c1ccc2c(SCc3ccon3)ncnc2c1
QED,Modify the molecule CCC(=O)Oc1cccc(I)c1COc1cc(Cl)c(C)cc1F to have a higher QED value.,CC(=O)c1cccc(OC(=O)CC)c1COc1cc(Cl)c(C)cc1F
AtomNum,"Please generate a molecule composed of 25 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 4 fluorine atoms.",COc1ccc(C=C2NC(=S)N(c3ccccc3OC)C2=O)cc1COc1c(F)c(F)cc(F)c1F
BondNum,"Please generate a molecule composed of 8 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCOc1ccc(C([NH3+])c2nccnc2OC)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amine groups, and 1 halo group.",Cc1nn(C)cc1C(Cc1cccc(Cl)c1)NN
AddComponent,Add a carboxyl to the molecule c1ccc(C[NH+]2CCCC23CCC2(CC3)OCCO2)cc1.,O=C(O)C(c1ccccc1)[NH+]1CCCC12CCC1(CC2)OCCO1
SubComponent,Modify the molecule CC(c1ccc(Br)o1)C(O)C#N by substituting a nitrile with a aldehyde.,CC(=O)C(O)C(C)c1ccc(Br)o1
DelComponent,Modify the molecule amide by removing a Cc1ccc(NC(=O)C(=O)NCCCO)cc1.,Cc1ccc(N(O)CCCO)cc1
LogP,Modify the molecule Cc1cc(C=CC(=O)[O-])ccc1N1C(=O)CCC1=O to have a lower LogP value.,CC(=CC(=O)[O-])N1C(=O)CCC1=O
MR,Modify the molecule COC(=O)Cn1cc(C[NH3+])c2cc(Br)ccc21 to increase its MR value.,CC(=O)c1ccc2c(c1)c(C[NH3+])cn2CC(=O)OC
QED,Optimize the molecule CN(C(=O)C(CC(C)(C)c1ccccc1)NC(=O)Oc1ccoc1)C1C(=O)COC1C(N)=O to have a higher QED value.,CC(C)CC(NC(=O)Oc1ccoc1)C(=O)N(C)C1C(=O)COC1C(N)=O
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(C)(C)c1nc(C[NH+]2CCN(C(=O)C3CCS(=O)(=O)C3)CC2)no1
BondNum,"Please generate a molecule composed of 8 single bonds, 1 triple bond, 4 rotatable bonds, and 18 aromatic bonds.",Cc1cc(C)c(Nc2nccc(Nc3ccc(C#N)cc3)n2)c(Cl)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 thioether group, and 3 sulfide groups.",CCSc1ccccc1C(=O)N1CC[NH+](Cc2nc(-c3cccs3)cs2)CC1
AddComponent,Modify the molecule CC1OC(C(Cc2ccccc2)N=[N+]=[N-])CN(C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[O-])C1=O by adding a nitrile.,CC1OC(C(Cc2ccccc2)N=[N+]=[N-])CN(C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2cccc(C#N)c2)C(=O)[O-])C1=O
SubComponent,Please substitute a halo in the molecule CCCCOc1cc(C(=O)[O-])cc2c(F)cccc12 with a hydroxyl.,CCCCOc1cc(C(=O)[O-])cc2c(O)cccc12
DelComponent,Remove a amide from the molecule O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)Nc1cnn(COc2cccc(Cl)c2)c1.,FC(F)(F)c1nn(Cc2cnn(COc3cccc(Cl)c3)c2)c(C2CC2)c1Cl
LogP,Modify the molecule ClCC=CCC(Cl)(Cl)Cl to decrease its LogP value.,OC(=CCCl)CC(Cl)(Cl)Cl
MR,Modify the molecule CCCCN(C(=O)CSc1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O to decrease its MR value.,CCCCN(C(=O)CSc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
QED,Please optimize the molecule Cc1ccc(CNC(=O)c2ccnc(NC(C)c3ccccc3)n2)cc1 to have a higher QED value.,CCNc1nccc(C(=O)NCc2ccc(C)cc2)n1
AtomNum,"There is a molecule with 13 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",COc1cc(C([NH3+])C(C)C(=O)[O-])cc(OC)c1OC
BondNum,"There is a molecule composed of 10 single bonds, 1 double bond, 6 rotatable bonds, and 22 aromatic bonds.",CC(C)(O)CNc1cc(-c2ccc(F)cc2)nn2c(-c3ccc(C=O)cc3)c[nH+]c12
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 ketone group, and 1 amide group.",CCCCCN1C(=O)C(=O)C(=C([O-])c2ccc(OC(C)C)cc2)C1c1ccc(OCC)cc1
AddComponent,Add a hydroxyl to the molecule CC1C=C(C(F)(F)F)C(C)CC(COc2ccc(N3CC[NH+](CCC(=O)[O-])CC3)cc2)C1.,CC1CC(COc2ccc(N3CC[NH+](CCC(=O)[O-])CC3)cc2)CC(C)(O)C=C1C(F)(F)F
SubComponent,Substitute a halo in the molecule O=S(=O)(Nc1ccc(F)cc1)c1ccc(CCBr)cc1 with a carboxyl.,O=C([OH])c1ccc(NS(=O)(=O)c2ccc(CCBr)cc2)cc1
DelComponent,Modify the molecule C#CC[NH2+]C(C(=O)OC)c1ccc(OC)cc1 by removing a benzene ring.,C#CC[NH2+]C(OC)C(=O)OC
LogP,Optimize the molecule C#CCOC(=O)CCC(C)C(=O)OCCCC#N to have a higher LogP value.,C#CCOC(=O)CCC(C)C(=O)OCCCS
MR,Optimize the molecule COC(=O)C(C)(C)Sc1ccccc1 to have a higher MR value.,COC(=O)C(C)(C)Sc1ccccc1-c1ccccc1
QED,Modify the molecule CC1CN(C(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)CC2(CCOCC2)O1 to have a higher QED value.,CC1CN(C(=O)c2cnn(C(C)(C)C)c2)CC2(CCOCC2)O1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 2 oxygen atoms, 1 sulfur atom, and 1 fluorine atom.",CSc1ccc(C=C2c3ccc(F)cc3C3=CC(=O)OC23C)cc1
BondNum,"Please generate a molecule consisting 10 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)OC(=O)[N-]S(=O)(=O)Nc1cc(Cl)nc(Cl)n1
FunctionalGroup,Please generate a molecule consisting and 1 sulfide group.,Cc1cc2c(N3CCC([NH2+]C(C)c4ccncn4)CC3)ncnc2s1
AddComponent,Please add a amine to the molecule COc1cc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)cc(OC)c1.,COc1cc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)cc(OCN)c1
SubComponent,Modify the molecule nitrile by substituting a CCOc1ccc2nc(N3CCCCCN3)c(C#N)cc2c1 with a carboxyl.,CCOc1ccc2nc(N3CCCCCN3)c(C(=O)[OH])cc2c1
DelComponent,Modify the molecule amide by removing a Cc1cc(C(=O)NCc2ccc3c(c2)OCCO3)c(C)n1C1CCCCC1.,Cc1c-c(C)(Cc2ccc3c(c2)OCCO3)n1C1CCCCC1
LogP,Optimize the molecule Cc1cc(NCC2CCC3(CCCCC3)O2)cc(C)c1Br to have a lower LogP value.,Cc1cc(NCC2CCC3(CCCCC3)O2)cc(C)c1C#N
MR,Modify the molecule O=C([O-])c1c(CNOC2CCCC2)oc2ccccc12 to have a lower MR value.,O=C([O-])c1c(COC2CCCC2)oc2ccccc12
QED,Please optimize the molecule COc1ccc(OCC(=O)NC(C)c2ccccc2C)cc1 to have a lower QED value.,COc1ccc(OCC(=O)NC(C)C)cc1
AtomNum,"The molecule consists of 14 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1cc(S(=O)(=O)NCCC(C)O)ccc1OC(C)C
BondNum,"Please generate a molecule composed of 10 single bonds, 4 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",Cc1sc2nc(COC(=O)CCNS(=O)(=O)c3ccccc3)[nH]c(=O)c2c1C
FunctionalGroup,Please generate a molecule composed of and 1 amine group.,COCCN(CCOC)C(=S)NCCCOC(C)C
AddComponent,Add a benzene ring to the molecule CC(=O)Nc1ccc(Cc2ccc3c(c2)C(C=Nc2cc(C)[nH]n2)C(=O)N3)cc1.,CC(=O)Nc1ccc(Cc2cc(-c3ccccc3)c3c(c2)C(C=Nc2cc(C)[nH]n2)C(=O)N3)cc1
SubComponent,Please substitute a halo in the molecule Cc1nn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccccc4)c23)cc1Cl with a nitro.,Cc1nn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)NO)cc(-c4ccccc4)c23)cc1Cl
DelComponent,Please remove a amide from the molecule CC(NC(=O)NCCC(=O)N1CCOCC1)C1CCOC1.,CC(NC(=O)NC1CCOCC1)C1CCOC1
LogP,Please modify the molecule C=CCCCCCC(NN)c1sccc1OC to increase its LogP value.,C=CCCCCCC(N)c1sccc1OC
MR,Please modify the molecule CC([NH2+]CCC(C)(C)C)c1cccnc1Cl to increase its MR value.,CC([NH2+]CCC(C)(C)Cc1ccccc1)c1cccnc1Cl
QED,Modify the molecule CCCC[N+](CCCC)(Cc1ccccc1)CC(C)O to decrease its QED value.,CCCC[N+](CCCCC(=O)O)(Cc1ccccc1)CC(C)O
AtomNum,"The molecule has 11 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)C1CCSC(=[NH+]CCOCC(N)=O)N1
BondNum,"Please generate a molecule composed of 12 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC1CC1C(=O)N(Cc1ccccc1)C1CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amide group.",CC(C)=CC1C(C(=O)NN=Cc2ccccc2)C1(C)C
AddComponent,Modify the molecule CC(CC#N)c1ccc(F)cc1F by adding a carboxyl.,CC(c1ccc(F)cc1F)C(C#N)C(=O)O
SubComponent,Substitute a Cc1cccc(Cl)c1Nc1cnc[nH]1 in the molecule halo with a nitro.,Cc1cccc(NO)c1Nc1cnc[nH]1
DelComponent,Please remove a amine from the molecule CC(C)(CNCc1cccc(Cl)c1)S(C)(=O)=O.,CC(C)(CCc1cccc(Cl)c1)S(C)(=O)=O
LogP,Modify the molecule CCOc1ccc(NC2CC(C)CC(C)(C)C2)cc1Cl to increase its LogP value.,CCOc1ccc(NC2CC(C)C(c3ccccc3)C(C)(C)C2)cc1Cl
MR,Modify the molecule CC1CC([NH+]2CCCC2)CN1C(=O)C1CCOCC1 to have a higher MR value.,O=C(O)CC1CC([NH+]2CCCC2)CN1C(=O)C1CCOCC1
QED,Optimize the molecule C=COc1ccc(-c2ccccc2)cc1 to have a higher QED value.,C=COc1ccc(-c2ccccc2)c(O)c1
AtomNum,"The molecule is composed of 23 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)cc1
BondNum,"There is a molecule with 18 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",Cc1cc(NC(=O)C2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1
FunctionalGroup,"There is a molecule with 1 amine group, 1 nitro group, 2 thioether groups, and 1 sulfide group.",COc1ccc([N+](=O)[O-])c(NCC2CCCCS2)n1
AddComponent,Add a benzene ring to the molecule COC(=O)c1ccc(C)c(OCC(=O)N(C)CC(=O)NC(C)(C)C)c1.,COC(=O)c1ccc(C)c(OCC(=O)N(C)CC(=O)NC(C)(C)Cc2ccccc2)c1
SubComponent,Modify the molecule COc1ccc(Br)cc1-c1nc(COC(=O)C2CCCO2)cs1 by substituting a halo with a hydroxyl.,COc1ccc(O)cc1-c1nc(COC(=O)C2CCCO2)cs1
DelComponent,Please remove a amine from the molecule CCOc1cccc(N)c1C(=O)NC(C)CC.,CCOc1ccccc1C(=O)NC(C)CC
LogP,Please optimize the molecule N#Cc1cccc(-c2c(C(=O)N3CCCCC3CO)cc3ccccn23)c1 to have a higher LogP value.,O=C(c1cc2ccccn2c1-c1cccc(S)c1)N1CCCCC1CO
MR,Please modify the molecule C#CC[NH+](CCC1(C)NN1)Cc1ccc2cccnc2c1O to decrease its MR value.,C#CC[NH+](CCC(C)N)Cc1ccc2cccnc2c1O
QED,Modify the molecule N#Cc1c([Se]C([Se]c2nnc(-c3ccccc3)c(-c3ccccc3)c2C#N)C(=O)[O-])nnc(-c2ccccc2)c1-c1ccccc1 to have a higher QED value.,N#Cc1c([Se]C([Se]c2cc(-c3ccccc3)c(-c3ccccc3)nn2)C(=O)[O-])nnc(-c2ccccc2)c1-c1ccccc1
AtomNum,"There is a molecule consisting of 8 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 phosphorus atom.",CCOP(=O)(OCC)C(C)(C)C[NH3+]
BondNum,"The molecule is composed of 9 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",CC(C(=O)Nc1ccc(NC(=O)c2ccc(Br)s2)cc1)n1cncn1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 halo group.",O=C(NCC1CCCO1)c1ccc(I)cc1
AddComponent,Modify the molecule CCC(C(C)O)C1CC(C)(C)OC1(C)C by adding a hydroxyl.,CCC(C(C)O)C1CC(C)(CO)OC1(C)C
SubComponent,Please substitute a halo in the molecule CC1CCCN(C(=O)c2ccc(Cl)c(NC(=O)C[NH+]3CCC(C(=O)NC(C)C(=O)Nc4ccc(Br)c(Cl)c4)CC3)c2)C1 with a thiol.,CC1CCCN(C(=O)c2ccc(S)c(NC(=O)C[NH+]3CCC(C(=O)NC(C)C(=O)Nc4ccc(Br)c(Cl)c4)CC3)c2)C1
DelComponent,Modify the molecule benzene ring by removing a CC(CNc1ccnc(CSc2ccccc2)n1)c1nncn1C.,CC(CNc1ccnc(CS)n1)c1nncn1C
LogP,Modify the molecule CCc1ccc2nc(N3CCN(C(=O)COc4ccc([N+](=O)[O-])cc4)CC3)sc2c1 to have a lower LogP value.,CCc1ccc2nc(N3CCN(C(=O)CO[N+](=O)[O-])CC3)sc2c1
MR,Modify the molecule Clc1ccc(COc2ccccc2C=NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(Cl)c1 to decrease its MR value.,Oc1ccc(COc2ccccc2C=NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(Cl)c1
QED,Modify the molecule COC(C)CCOC(=O)C(C#N)=C1Sc2c(O)c3c(c(O)c2S1)C1c2ccccc2C12c1ccccc1C32 to increase its QED value.,COC(C)CCOC(=O)C=C1Sc2c(O)c3c(c(O)c2S1)C1c2ccccc2C12c1ccccc1C32
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CCOC(=O)c1c[nH]c2ncc(-c3cnc4c(c3)N(CC3CCOCC3)C(=O)C4)cc12
BondNum,"Please generate a molecule consisting 23 single bonds, 2 double bonds, and 9 rotatable bonds.",CCOCCC1(CNC(NCCC2=CCOCC2)=[NH+]C)CCCC1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amine groups, and 1 sulfide group.",C=CCNC(=S)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
AddComponent,Please add a carboxyl to the molecule CCN(c1cc(C(=O)NC(C)c2cccc(Cl)c2)cc(-c2nnc(C(C)([NH3+])Cc3ccccc3)o2)c1)S(C)(=O)=O.,CCN(c1cc(C(=O)NC(C)c2cccc(Cl)c2)cc(-c2nnc(C(C)([NH3+])Cc3cccc(C(=O)O)c3)o2)c1)S(C)(=O)=O
SubComponent,Modify the molecule halo by substituting a O=C(Nc1cccc(F)c1)C1CCC(C(=O)Nc2ccc(F)cc2F)CC1 with a carboxyl.,O=C([OH])c1cccc(NC(=O)C2CCC(C(=O)Nc3ccc(F)cc3F)CC2)c1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(C#N)cc1NC(=O)c1ccc(C(F)(F)F)cc1.,Cc1ccc(C#N)cc1NC(=O)C(F)(F)F
LogP,Please optimize the molecule Cc1sc2ncnc(N3CCC(C(=O)OCC(=O)NCCC#N)CC3)c2c1C to have a higher LogP value.,Cc1sc2ncnc(N3CCC(C(=O)OCCC#N)CC3)c2c1C
MR,Please optimize the molecule COc1ccccc1C(=O)OC(C)=O to have a lower MR value.,COC(=O)OC(C)=O
QED,Please modify the molecule CC(=O)N1CCN(c2nc(C)cc(Nc3ccc(Cl)c(Cl)c3)n2)CC1 to decrease its QED value.,CC(=O)N1CCN(c2nc(C)cc(-c3ccc(Cl)c(Cl)c3)n2)CC1
AtomNum,"There is a molecule composed of 18 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1cc(C(=O)NCC2CC(=O)N(c3ccccc3)C2)cc(=O)[nH]1
BondNum,"Please generate a molecule consisting 25 single bonds, 2 double bonds, 5 rotatable bonds, and 22 aromatic bonds.",CC[NH+]1CC(n2nc3cc(C(=O)NC4(C)COC4)ccc3c2C)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12
FunctionalGroup,"There is a molecule with 4 benzene ring groups, 1 amine group, and 1 sulfone group.",Cc1ccc(NS(=O)(=O)c2ccc(N=Cc3cccc(OCc4ccccc4)c3)cc2)c(C)c1
AddComponent,Modify the molecule CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)ccc4n(-c4ccccc4)c3cc21 by adding a hydroxyl.,CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7cccc(O)c7)cc6)cc5)ccc4n(-c4ccccc4)c3cc21
SubComponent,Please substitute a halo in the molecule CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)C(Cc1ccccc1)C(=O)NC1CCCCC1)c1ccccc1Cl with a aldehyde.,CC(=O)c1ccc(CN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)C(Cc2ccccc2)C(=O)NC2CCCCC2)cc1
DelComponent,Please remove a C#CC#Cc1ccc(CCC(=O)N2CCC(C3(C)SC(=[NH+]C4CC5CCC4(C)C5)NC3=O)CC2)cc1 from the molecule benzene ring.,C#CC#CCCC(=O)N1CCC(C2(C)SC(=[NH+]C3CC4CCC3(C)C4)NC2=O)CC1
LogP,Please optimize the molecule CCOC(=O)c1c(C(=O)C=C[NH+](C)C)n(C)n(-c2cccc(C(F)(F)F)c2)c1=O to have a higher LogP value.,CCOC(=O)c1c(C(=O)C=C[NH+](C)Cc2ccccc2)n(C)n(-c2cccc(C(F)(F)F)c2)c1=O
MR,Optimize the molecule COc1cc(OC)cc(C(CC(=O)N2CCCC2)c2c[nH+]c3ccc(Cl)cn23)c1 to have a lower MR value.,COc1cc(OC)cc(C(CC(=O)N2CCCC2)c2c[nH+]c3ccccn23)c1
QED,Modify the molecule C[NH+]=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NCC(C)c1ccsc1 to have a higher QED value.,CC(NCc1cccc(OCC[NH+]2CCOCC2)c1)NCC(C)c1ccsc1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",CC(C)(CC([NH3+])(CCCCCCCCCCC[NH3+])CC(C)(C)[N+](=O)[O-])[N+](=O)[O-]
BondNum,"The molecule is composed of 17 single bonds, 3 double bonds, and 3 rotatable bonds.",CC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 hydroxyl group, 1 amide group, and 3 halo groups.",COc1cc(OC)c(C2C(c3cc(Cl)c(OC)c(Cl)c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1OC
AddComponent,Modify the molecule CCC(CN1CCCCC1=O)[NH2+]CCc1ccc(OS(=O)(=O)C(C)C)cc1 by adding a benzene ring.,CCC(CN1CCCCC1=O)[NH2+]CC(c1ccccc1)c1ccc(OS(=O)(=O)C(C)C)cc1
SubComponent,Please substitute a halo in the molecule O=C(NCc1ccncc1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 with a hydroxyl.,O=C(NCc1ccncc1)c1nnc2n(c1=O)CCN2c1ccc(O)cc1
DelComponent,Remove a benzene ring from the molecule c1ccc(-c2cccc3c2sc2ccccc23)cc1.,c1ccc2c(c1)sc1ccccc12
LogP,Modify the molecule Cc1ncc(S(=O)(=O)N2CCN(CC(F)(F)F)CC(C)C2)s1 to decrease its LogP value.,Cc1ncc(S(=O)(=O)N2CCN(CC(F)(F)C(=O)[OH])CC(C)C2)s1
MR,Please modify the molecule COc1ccc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC2(CC4)OCCO2)cc1 to increase its MR value.,COc1ccc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC2(CC4)OCC(O)O2)cc1
QED,Optimize the molecule Cc1c([O-])c(=O)ccn1CCc1ccc(S(N)(=O)=O)cc1 to have a lower QED value.,Cc1c([O-])c(=O)ccn1CCS(N)(=O)=O
AtomNum,"There is a molecule with 14 carbon atoms, and 5 nitrogen atoms.",CCc1nnc2ccc(N3CCCC4(CC4)C3)nn12
BondNum,"Please generate a molecule consisting 20 single bonds, and 1 double bond.",CC1CC[NH2+]C2(CCN(C(=O)OC(C)(C)C)CC2C)S1
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,CCCCCN(c1ccc(C(CC)[NH2+]CC)cc1)C(C)C
AddComponent,Please add a amine to the molecule CSC(=O)C=C1SSC(=CC(=O)SC)S1.,CSC(=O)C=C1SSC(=C(N)C(=O)SC)S1
SubComponent,Substitute a halo in the molecule O=CN(Cc1ccc(Cl)cc1)C(C(=O)NCc1c[nH]c2ccccc12)c1ccc(Br)cc1 with a nitro.,ONc1ccc(CN(C=O)C(C(=O)NCc2c[nH]c3ccccc23)c2ccc(Br)cc2)cc1
DelComponent,Remove a CCCCC(O)CCc1cccc(C)c1 from the molecule benzene ring.,CCCCC(O)CCC
LogP,Please optimize the molecule CNC(=O)c1cccnc1N1CC[NH2+]C(c2ccccc2)C1 to have a higher LogP value.,Cc1(N2CC[NH2+]C(c3ccccc3)C2)nccc-1
MR,Optimize the molecule COC(=O)n1ccc2c(Cl)ccnc21 to have a higher MR value.,COC(=O)n1ccc2c(Cl)cc(O)nc21
QED,Optimize the molecule CC(C)NC(C#N)(CSc1nc2ccccc2o1)C1CC1 to have a lower QED value.,CC(C)NC(CSc1nc2ccccc2o1)(C(=O)[OH])C1CC1
AtomNum,"The molecule contains 21 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(=O)N3CC(O)CC3C(=O)[O-])s2)c1
BondNum,"The molecule has 13 single bonds, 3 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",COC(=O)CCn1c(SCC(=O)N(C)Cc2cccc(Cl)c2)nc2ccccc2c1=O
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, and 4 halo groups.",O=C(COc1ccc(F)cc1Br)Nc1ccc(Cl)cc1F
AddComponent,Please add a hydroxyl to the molecule CC(C)n1cc(C[NH+]2CCc3nc(-c4ccco4)ncc3C2)cn1.,CC(C)n1ncc(C[NH+]2CCc3nc(-c4ccco4)ncc3C2)c1O
SubComponent,Substitute a hydroxyl in the molecule COc1cccc(OC)c1OCC[NH2+]CC(O)COc1cccc2[nH]c(=O)c(C)nc12 with a nitrile.,COc1cccc(OC)c1OCC[NH2+]CC(C#N)COc1cccc2[nH]c(=O)c(C)nc12
DelComponent,Remove a Cc1nn(CCO)c(C)c1-n1ccnc1-c1ccncc1 from the molecule hydroxyl.,CCn1nc(C)c(-n2ccnc2-c2ccncc2)c1C
LogP,Modify the molecule O=C1OCCC1Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 to decrease its LogP value.,ONc1cccc(-n2c(SC3CCOC3=O)nc3ccccc3c2=O)c1
MR,Modify the molecule CSCC(C)(O)CNS(=O)(=O)c1cc(Cl)ccc1N to increase its MR value.,CSCC(C)(O)CNS(=O)(=O)c1cc(NO)ccc1N
QED,Please optimize the molecule NC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4c(c3)CC(COCc3ccccc3)O4)c2o1 to have a higher QED value.,COCC1Cc2cc(C(=O)Nc3cccc4c(=O)cc(C(N)=O)oc34)ccc2O1
AtomNum,"The molecule has 9 carbon atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cn1cnc(C(NN)c2ccc(Cl)s2)c1
BondNum,"There is a molecule with 18 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",O=C(Nc1ccc2c(c1)CC(C1C=CN=CC1)N2)C1(c2ccc(O)c(O)c2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ester group, 1 amide group, 1 amine group, and 1 halo group.",CCOC(=O)C(=O)NNc1cccc(F)c1
AddComponent,Add a benzene ring to the molecule CCc1noc(C)c1C(=O)N1CCCC(CC(=O)[O-])C1.,CCc1noc(Cc2ccccc2)c1C(=O)N1CCCC(CC(=O)[O-])C1
SubComponent,Substitute a hydroxyl in the molecule C[NH+](C)CCn1ccc(=O)c(OCc2ccccc2)c1C(O)c1ccccc1 with a carboxyl.,C[NH+](C)CCn1ccc(=O)c(OCc2ccccc2)c1C(C(=O)[OH])c1ccccc1
DelComponent,Please remove a hydroxyl from the molecule COC(=O)CS(=O)(=O)N(C)C(C)CO.,COC(=O)CS(=O)(=O)N(C)C(C)C
LogP,Modify the molecule CCc1c(C)nn2c(Cl)c(C)c(Cl)nc12 to decrease its LogP value.,CCc1c(C)nn2c(Cl)c(C)cnc12
MR,Modify the molecule Cc1ccc2c(CC(=O)NNC(=O)c3ccccc3C)coc2c1 to decrease its MR value.,CC(=O)NNC(=O)Cc1coc2cc(C)ccc12
QED,Optimize the molecule Cn1cnc(C2=NC(=O)C([NH3+])S2)c1 to have a lower QED value.,Cn1cc(C2=NC(=O)C([NH3+])S2)nc1O
AtomNum,"The molecule is composed of 18 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 2 chlorine atoms.",Cc1cc(N(CCCl)CCCl)ccc1OC(=O)Nc1ccc([N+](=O)[O-])cc1
BondNum,"There is a molecule with 20 single bonds, 3 double bonds, 11 rotatable bonds, and 6 aromatic bonds.",O=C([O-])CCCCCCN1C(=S)CCC1C=CC(O)Cc1cc(F)cc(F)c1
FunctionalGroup,Please generate a molecule composed of and 1 sulfide group.,CC(c1cccs1)N(C)C(=O)N1CCC(C(=O)[O-])C1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(NC(=O)CN(C)c2nc3c(OC)cccc3s2)cc1.,COc1cccc2sc(N(C)CC(=O)Nc3ccc(OCO)cc3)nc12
SubComponent,Please substitute a halo in the molecule O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O with a carboxyl.,O=C([OH])c1cccc(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc32)c1
DelComponent,Remove a amide from the molecule COc1ccc(CCC(=O)N(Cc2ccncc2)C2CC2)cc1F.,COc1ccc(CC(c2ccncc2)C2CC2)cc1F
LogP,Please modify the molecule CCCCOC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(C)c3)C2=O)cc1 to decrease its LogP value.,CCCCOC(=O)N1C(=O)C(Cl)=C(Nc2ccc(C)c(C)c2)C1=O
MR,Please modify the molecule CCOc1cccnc1NC(=O)c1cccc(SCC(=O)c2ccccc2)c1 to decrease its MR value.,CCOc1cccnc1NC(=O)c1cccc(SCC=O)c1
QED,Modify the molecule COC(=O)C(=CO)N(C=O)Cc1cc(F)cc(F)c1 to decrease its QED value.,COC(=O)C(=CO)N(C=O)Cc1cccc(F)c1
AtomNum,"Please generate a molecule with 23 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",COc1cc(C[NH+]2CCc3nc(-c4ccc(N)cc4)ncc3C2)cc(OC)c1OC
BondNum,"There is a molecule with 12 single bonds, 3 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCCS2(=O)=O)cc1
FunctionalGroup,"There is a molecule consisting of 2 ketone groups, 3 halo groups, and 1 sulfide group.",O=C(CC(=O)C(F)(F)F)c1nc2ccccc2s1
AddComponent,Please add a aldehyde to the molecule COc1ccc(C(=O)OCC(=O)NC(C)c2ccc(C)c(C)c2)cc1OC.,COc1cc(C(=O)OCC(=O)NC(C)c2ccc(C)c(C)c2)ccc1OCCC=O
SubComponent,Please substitute a halo in the molecule O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 with a aldehyde.,CC(=O)C(F)(F)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1
DelComponent,Remove a hydroxyl from the molecule COC(CC(C)(C)C)Oc1ccc(C(CC(C)(C)NNC(C)(C)C(c2ccc(O)cc2)C(C)(C)C)C(C)(C)C)cc1.,COC(CC(C)(C)C)Oc1ccc(C(CC(C)(C)NNC(C)(C)C(c2ccccc2)C(C)(C)C)C(C)(C)C)cc1
LogP,Modify the molecule CC(C)Nc1nn(C)c2sc(Cl)cc12 to have a higher LogP value.,CC(C)c1nn(C)c2sc(Cl)cc12
MR,Modify the molecule C=C(Br)C[NH2+]CC(C)(C)N(C)C to decrease its MR value.,C=CC[NH2+]CC(C)(C)N(C)C
QED,Optimize the molecule CCOC(=O)Cn1c2c(c3c1C1Oc4c(O)ccc5c4C14CC[NH+](CC1CCCCC1)C(C5)C4(O)C3)CC1(O)C3Cc4ccc(O)c5c4C1(CC[NH+]3CC1CCCCC1)C2O5 to have a higher QED value.,CCOC(=O)Cn1c2c(c3c1C1Oc4c(C#N)ccc5c4C14CC[NH+](CC1CCCCC1)C(C5)C4(O)C3)CC1(O)C3Cc4ccc(O)c5c4C1(CC[NH+]3CC1CCCCC1)C2O5
AtomNum,"There is a molecule composed of 18 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCC(CC)(C[NH2+]C(C)Cc1ccc(OC)c(OC)c1)C(=O)[O-]
BondNum,"Please generate a molecule with 10 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1CCNC(=S)Nc1cccc(C)c1C
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 2 amide groups.",CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1
AddComponent,Please add a hydroxyl to the molecule O=C(CN=c1sc2ccccc2n1C(=O)c1ccccc1)c1ccccc1.,O=C(CN=c1sc2ccccc2n1C(=O)c1ccccc1O)c1ccccc1
SubComponent,Substitute a COC(=O)C1CN(C(=O)c2cc(F)ccc2C)CC1C in the molecule halo with a nitrile.,COC(=O)C1CN(C(=O)c2cc(C#N)ccc2C)CC1C
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(C2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2Cl)CCCC4)cc1.,Cc1ccc(C2c3cccn3-c3sc4c(c3CN2C(=O)NCl)CCCC4)cc1
LogP,Modify the molecule CC(=O)ON=C1Cc2cc3c(cc2C1=O)OC(C)(C)N3 to have a higher LogP value.,CC(=O)ON=C1Cc2cc3c(cc2C1=O)OC3(C)C
MR,Optimize the molecule CCN(CCOC)c1ccccc1-c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1Cl to have a lower MR value.,CCN(CCOC)c1ccccc1-c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1
QED,Modify the molecule C=CCC(C(=O)Nc1ccc(Br)cc1F)c1cc(F)cc(F)c1 to increase its QED value.,C=CCC(C(=O)Nc1ccc(C(=O)[OH])cc1F)c1cc(F)cc(F)c1
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",CC(=O)Nc1ccc(-c2nc(C(=O)NCCc3ccc(F)cc3)c(C)s2)cc1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 1 halo group, 1 thioether group, 2 sulfide groups, and 1 sulfone group.",Cc1cccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(=O)(=O)c2ccc(Cl)cc2)c1
AddComponent,Add a benzene ring to the molecule CN(Cc1ccncc1)S(=O)(=O)c1cc(C[NH3+])ccc1Cl.,CN(Cc1ccncc1-c1ccccc1)S(=O)(=O)c1cc(C[NH3+])ccc1Cl
SubComponent,Modify the molecule halo by substituting a CC(C)(CNCCl)c1ccc2[nH]c(=O)oc2c1 with a nitrile.,CC(C)(CNCC#N)c1ccc2[nH]c(=O)oc2c1
DelComponent,Remove a benzene ring from the molecule COc1cc(C(Cc2ccccn2)c2ccc3ccc(C)nc3c2O)ccc1C.,COCC(Cc1ccccn1)c1ccc2ccc(C)nc2c1O
LogP,Optimize the molecule O=c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)[nH]1 to have a lower LogP value.,O=c1cc(-c2ccc(C(F)(F)F)cc2)c(O)c(C(F)(F)F)[nH]1
MR,Please optimize the molecule Cn1ccc(CC2(CO)CCOC2)n1 to have a higher MR value.,OCC1(Cc2ccn(Cc3ccccc3)n2)CCOC1
QED,Please optimize the molecule C=CCNc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 to have a higher QED value.,C=CCc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1
AtomNum,"The molecule contains 16 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCCC(COC)n1c(C2CC2)nc2cc(N)ccc21
BondNum,"Please generate a molecule consisting 19 single bonds, 3 double bonds, and 5 rotatable bonds.",COC(=O)CCN(C)S(=O)(=O)N1CC2CCC[NH+]2CC1C
FunctionalGroup,There is a molecule with and 1 amide group.,CC1(C)CC(C(=O)N2CC[NH+](CC(=O)[O-])CC2)C(C)(C)N1[O-]
AddComponent,Add a hydroxyl to the molecule C=CCCC(=O)N(C)CCCCCC.,C=CCCC(=O)N(C)CCCCC(C)O
SubComponent,Substitute a Brc1ccc(-c2ccccc2)c2c3c4c(ccc(-c5ccccc5)c4cc12)-c1c-3ccc(-c2ccccc2)c1-c1ccccc1 in the molecule halo with a hydroxyl.,Oc1ccc(-c2ccccc2)c2c3c4c(ccc(-c5ccccc5)c4cc12)-c1c-3ccc(-c2ccccc2)c1-c1ccccc1
DelComponent,Remove a amide from the molecule O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc(C[NH+]2CCCCC2)cs1.,O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc([N+](=O)[O-])c1
LogP,Please modify the molecule C[Si](C)(C)N(CCC(=S)Oc1ccccc1)[Si](C)(C)C to decrease its LogP value.,C[Si](C)(C)N(CCC(O)=S)[Si](C)(C)C
MR,Modify the molecule CCC(C)(NC(=O)Nc1cccc(C(C)OC)c1)c1nccs1 to increase its MR value.,CCC(Cc1ccccc1)(NC(=O)Nc1cccc(C(C)OC)c1)c1nccs1
QED,Please optimize the molecule CCCCC(C=CC(CCCC)C1(O)CCCCC1)C1(O)CCCCC1 to have a lower QED value.,CCCCC(C=CC(CCCC)C1(O)CCCCC1)C1CCCCC1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",[NH3+]Cc1ccc2c(c1)C1(CCN(C(=O)Cc3ccc(F)cc3)CC1)CO2
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc3c(c2)CCC3)c1C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 aldehyde group, and 2 halo groups.",O=Cc1cc(F)c(OCc2nc(C3CC3)no2)c(F)c1
AddComponent,Add a benzene ring to the molecule O=C([O-])C1CCC(O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1.,O=C([O-])C1C(c2ccccc2)CC(O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1
SubComponent,Substitute a CCc1ccccc1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21 in the molecule halo with a hydroxyl.,CCc1ccccc1NC(=O)Cn1ccc(=O)c2ccc(O)cc21
DelComponent,Modify the molecule hydroxyl by removing a CCC(O)CCCn1cncn1.,CCCCCCn1cncn1
LogP,Modify the molecule NC(=O)C(c1c[nH]c2ccccc12)[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 to increase its LogP value.,CC(=O)c1ccc(C(c2ccc(F)cc2)N2CC[NH+](C(C(N)=O)c3c[nH]c4ccccc34)CC2)cc1
MR,Modify the molecule Cc1ccc(C)c(CNC(=O)c2cc(C#N)ccn2)c1 to increase its MR value.,CC(=O)c1ccnc(C(=O)NCc2cc(C)ccc2C)c1
QED,Modify the molecule O=C(Nc1ccccc1NC(=O)OCCO)OCCO to increase its QED value.,N#CCCOC(=O)Nc1ccccc1NC(=O)OCCO
AtomNum,"The molecule contains 15 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",NNC(=O)c1c(C[NH+]2CCCCC2)oc2ccccc12
BondNum,"There is a molecule consisting of 3 single bonds, 3 rotatable bonds, and 44 aromatic bonds.",c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)c3ccccc3n2)cc1
FunctionalGroup,The molecule contains and 1 sulfone group.,CCN(CC1CC1)S(=O)(=O)c1ccc(C[NH3+])cn1
AddComponent,Add a benzene ring to the molecule O=C(NC1CC(c2cccc(F)c2F)Cn2c(C3CCCCC3)c[nH+]c21)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.,O=C(NC1CC(c2cccc(F)c2F)Cn2c(C3CCCC(c4ccccc4)C3)c[nH+]c21)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
SubComponent,Please substitute a hydroxyl in the molecule CC1C(O)CN(Cc2ccccc2)C(=O)N1Cc1ccccc1 with a aldehyde.,CC(=O)C1CN(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1C
DelComponent,Please remove a halo from the molecule O=C1OCCN1Cc1ccc(Cl)nn1.,O=C1OCCN1Cc1cccnn1
LogP,Optimize the molecule [NH3+]CCCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 to have a lower LogP value.,[NH3+]CCCCNC(=O)C1(c2ccccc2)CCCC1
MR,Modify the molecule O=C(Nc1ccc(C2=CSC3=[NH+]CCN23)cc1)C1c2ccccc2Oc2ccccc21 to increase its MR value.,O=C(Nc1ccc(C2=CSC3=[NH+]CCN23)cc1)C1c2ccccc2Oc2cccc(-c3ccccc3)c21
QED,Please modify the molecule O=[N+]([O-])c1cccc(Nc2c([N+](=O)[O-])c(Nc3cccc([N+](=O)[O-])c3)c3nonc3c2[N+](=O)[O-])c1 to increase its QED value.,O=[N+]([O-])Nc1c([N+](=O)[O-])c(Nc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c2nonc12
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1c(C(=O)NCc2ccc(Cl)cc2)sc2ncn(C)c(=O)c12
BondNum,"There is a molecule with 5 single bonds, 3 rotatable bonds, and 17 aromatic bonds.",[NH3+]C(Cc1cccc(Cl)c1)c1cccc2ncccc12
FunctionalGroup,"The molecule contains 1 nitro group, 1 thioether group, and 1 thiol group.",O=[N+]([O-])c1ccc(CS)nc1
AddComponent,Please add a amine to the molecule C[NH+]=C(NCc1cccc(N2CC=CC2)c1)NC1CCN(c2c(F)cccc2F)C1.,C[NH+]=C(NCc1cccc(N2CC=CC2)c1)NC1CCN(c2c(F)cc(N)cc2F)C1
SubComponent,Please substitute a halo in the molecule Cc1ncn(C(C)C(=O)Nc2c(Cl)cc(N)cc2Cl)c1C with a carboxyl.,Cc1ncn(C(C)C(=O)Nc2c(Cl)cc(N)cc2C(=O)[OH])c1C
DelComponent,Modify the molecule CCS(=O)(=O)CC(C)NC(=O)C([NH3+])Cc1ccccc1 by removing a benzene ring.,CCS(=O)(=O)CC(C)NC(=O)C(C)[NH3+]
LogP,Modify the molecule Cc1cc(C)nc(SCC(=O)NC(C)c2cccc(C(F)(F)F)c2)n1 to decrease its LogP value.,Cc1cc(C)nc(SCC(=O)NC(C)c2cccc(C(F)(F)C#N)c2)n1
MR,Modify the molecule COc1cc(C(C)[NH2+]C(C)c2cccc(F)c2)nn1-c1ccc(C(F)(F)F)nc1 to increase its MR value.,COc1cc(C(C)[NH2+]C(C)c2cccc(C#N)c2)nn1-c1ccc(C(F)(F)F)nc1
QED,Please modify the molecule CC(C)=CC1([NH3+])CCc2ccccc2C1 to decrease its QED value.,CC(C)=CC1([NH3+])CCc2ccccc2C1CC=O
AtomNum,"The molecule consists of 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=S(=O)(NC1CCC[NH2+]C1)c1ccccc1-c1ccno1
BondNum,"Please generate a molecule consisting 12 single bonds, 4 double bonds, 3 rotatable bonds, and 17 aromatic bonds.",O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1ccc2c(c1)OCO2
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, 1 amine group, and 1 nitro group.",COOCC1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
AddComponent,Modify the molecule O=S(=O)([O-])OC12CCC(CC1)CC2 by adding a hydroxyl.,O=S(=O)([O-])OC12CCC(CC1)CC2O
SubComponent,Please substitute a nitrile in the molecule COc1ccc(CCN(C(=O)c2ccccc2C)C2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1OC with a halo.,COc1ccc(CCN(C(=O)c2ccccc2C)C2CC(=O)N(c3ccc(I)cc3)C2=O)cc1OC
DelComponent,Modify the molecule halo by removing a Cc1ccc(Cl)cc1NCc1ccc([N+](=O)[O-])cc1.,Cc1ccccc1NCc1ccc([N+](=O)[O-])cc1
LogP,Optimize the molecule [NH3+]C(c1nccs1)C1CCCO1 to have a lower LogP value.,[NH3+]C(c1ncc(O)s1)C1CCCO1
MR,Modify the molecule Cc1cc(C[NH2+]C2CC2)ccc1-c1c(C)cc(F)cc1C to increase its MR value.,Cc1cc(C[NH2+]C2CC2)ccc1-c1c(C)cccc1C
QED,Please modify the molecule FC(F)(F)COCCCCCPC(Cc1ccc2c(c1)OCCO2)C[NH+]1CCCC1 to decrease its QED value.,ONC(F)(F)COCCCCCPC(Cc1ccc2c(c1)OCCO2)C[NH+]1CCCC1
AtomNum,"The molecule consists of 10 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",C[NH+]1CCC(CNS(C)(=O)=O)([NH+](C)C)CC1
BondNum,"The molecule consists of 11 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",CC(C)Cn1ncc2c(=O)n3c(nc21)CN(c1ccc(Cl)cc1)CC3
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,C[NH2+]Cc1ccccc1-c1ccn(C)n1
AddComponent,Modify the molecule CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(C)c1 by adding a hydroxyl.,CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(CO)c1
SubComponent,Modify the molecule Cc1cc(F)cc(C(=O)Nc2c(N)ccc(C)c2C)c1 by substituting a halo with a nitrile.,Cc1cc(C#N)cc(C(=O)Nc2c(N)ccc(C)c2C)c1
DelComponent,Modify the molecule nitrile by removing a CC(C)(C)OC(=O)N1CCC(C(=O)NCCNc2cccc(F)c2C#N)CC1.,CC(C)(C)OC(=O)N1CCC(C(=O)NCCNc2cccc(F)c2)CC1
LogP,Please optimize the molecule ClCC1(Cc2nc3ccccc3s2)CC2CCC1C2 to have a lower LogP value.,N#CCC1(Cc2nc3ccccc3s2)CC2CCC1C2
MR,Please optimize the molecule Cc1cccc(NC(=O)N2CCc3c(n(CC(=O)OC(C)(C)C)c4ccccc34)C2)c1 to have a lower MR value.,CNC(=O)N1CCc2c(n(CC(=O)OC(C)(C)C)c3ccccc23)C1
QED,Please optimize the molecule CN(C)C(=O)c1cn[nH]c1F to have a lower QED value.,CN(C)C(=O)c1cn[nH]c1NO
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",COCc1nnc2sc(-c3c(O)cccc3F)nn12
BondNum,"There is a molecule composed of 13 single bonds, 3 double bonds, 8 rotatable bonds, and 23 aromatic bonds.",C=CCN(CC(=O)Nc1[nH+]c(-c2ccc(Cl)cc2)cn1-c1cccc(C)c1)C(=O)c1ccc(Cl)cc1
FunctionalGroup,"Please generate a molecule consisting 2 hydroxyl groups, and 1 ester group.",CCCCCCCCCCCCCCCC(=O)OC(O)O
AddComponent,Please add a hydroxyl to the molecule COC(=O)c1cc(COc2cnc(OC)cc2C=O)c2[nH+]c(Br)cn2c1.,COC(=O)c1cc(COc2cnc(OC)cc2C(=O)O)c2[nH+]c(Br)cn2c1
SubComponent,Substitute a halo in the molecule N#Cc1nccnc1NCc1cccnc1Oc1cccc(F)c1 with a thiol.,N#Cc1nccnc1NCc1cccnc1Oc1cccc(S)c1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(Oc2cc(Cl)nc(Cl)n2)cc1.,COc1cc(Cl)nc(Cl)n1
LogP,Modify the molecule CC(C)Cn1c(-c2cnns2)nc2cc(C#N)ccc21 to increase its LogP value.,CC(C)Cn1c(-c2cnns2)nc2ccccc21
MR,Optimize the molecule CCOC(=O)C[NH+]1CCN(c2ccccc2C)C(=O)C1C to have a lower MR value.,CCOC(=O)C[NH+]1CCN(C)C(=O)C1C
QED,Optimize the molecule C1COC(CSc2nnc(NC3CC3)s2)CO1 to have a lower QED value.,OC1COC(CSc2nnc(NC3CC3)s2)CO1
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",CCOC(=O)NC(CC(CC)CC)C(=O)N1CCCC1C(=O)NCC1CCC(C(N)=[NH2+])CC1
BondNum,"Please generate a molecule with 8 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CCNC(=O)c1ccc(N)cc1Oc1ccc(F)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 3 halo groups.",Fc1cc(F)c2nc(CCl)n(CCc3ccccc3)c2c1
AddComponent,Modify the molecule NC(=O)c1cccn2c(=O)c3ccccc3nc12 by adding a hydroxyl.,NC(=O)c1cccn2c(=O)c3ccc(O)cc3nc12
SubComponent,Substitute a halo in the molecule CN(CCOCCO)c1cc(F)cc(Br)c1[N+](=O)[O-] with a carboxyl.,CN(CCOCCO)c1cc(C(=O)[OH])cc(Br)c1[N+](=O)[O-]
DelComponent,Modify the molecule benzene ring by removing a Cc1nc(COc2ccc(C(=O)NNC(=O)c3ccccn3)cc2)cs1.,Cc1nc(COC(=O)NNC(=O)c2ccccn2)cs1
LogP,Modify the molecule C=C(C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)S(=O)c1ccc(C)cc1 to decrease its LogP value.,C=C(C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)S(C)=O
MR,Optimize the molecule CCNC(=[NH+]CC(=O)N(CC)Cc1ccccc1)N(C)CC1CCOC1 to have a lower MR value.,CCNC(CC(=O)N(CC)Cc1ccccc1)N(C)CC1CCOC1
QED,Optimize the molecule CN(C(=O)c1cccc(F)c1N)c1ccccc1C(=O)[O-] to have a lower QED value.,CC(=O)c1cccc(C(=O)N(C)c2ccccc2C(=O)[O-])c1N
AtomNum,"The molecule has 30 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1ccc(C2(c3ccccc3)NC(=O)N(CC(=O)Nc3ccc(N4CCCCC4)cc3)C2=O)cc1C
BondNum,"The molecule has 7 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(N(C)c2ccc([N+](=O)[O-])c(N)c2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",Cc1ccc(C(C)NC(=O)c2nc(N)ccc2Cl)cc1
AddComponent,Modify the molecule CC(NC(=O)N1CCc2ccc(F)cc2C1)c1ccccn1 by adding a hydroxyl.,CC(NC(=O)N1CCc2ccc(F)cc2C1)c1cccc(O)n1
SubComponent,Please substitute a halo in the molecule Clc1ccc(C2(CCCc3nccs3)OCCO2)c(Cl)c1 with a aldehyde.,CC(=O)c1ccc(C2(CCCc3nccs3)OCCO2)c(Cl)c1
DelComponent,Modify the molecule halo by removing a Cc1cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)CC2)ccc1Br.,Cc1cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4ccccc4)c3)CC2)ccc1Br
LogP,Please modify the molecule CCOC(=O)CN(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 to decrease its LogP value.,CCOC(=O)CN(C)S(=O)(=O)CC(=O)[O-]
MR,Optimize the molecule NNC(c1cncc(Br)c1)c1ccc2c(c1)OCCO2 to have a lower MR value.,N#Cc1cncc(C(NN)c2ccc3c(c2)OCCO3)c1
QED,Please optimize the molecule COCCCCCn1c(CCl)nc2ccc(C#N)cc21 to have a higher QED value.,COCCCCCn1c(CCl)nc2c(C(=O)O)cc(C#N)cc21
AtomNum,"The molecule has 12 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 fluorine atoms.",CCC1C(=O)N(c2ccc(F)cc2F)C(=O)N1C
BondNum,"The molecule is composed of 17 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",CCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3C3CC(C)CC([NH3+])C3)n2)c1F
FunctionalGroup,The molecule has and 2 amine groups.,CCn1cc(NC(=S)NC2CCCC2)c(C)n1
AddComponent,Please add a aldehyde to the molecule C1=CC23CCCCC(CC2)([NH2+]3)c2ccccc21.,O=CCc1cccc2c1C13CCCCC(C=C2)(CC1)[NH2+]3
SubComponent,Please substitute a O=C(Cn1c(C2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21)c1ccccc1 in the molecule halo with a nitrile.,N#Cc1cccc(N2CC(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2=O)c1
DelComponent,Remove a amide from the molecule CC(C)(C)c1nnc(SCC(=O)Nc2c(F)cccc2F)n1N.,CC(C)(C)c1nnc(Sc2c(F)cccc2F)n1N
LogP,Optimize the molecule CC1CCCC1Nc1cccc(C(=O)[O-])n1 to have a lower LogP value.,CC1CCCC1Nc1ccc(O)c(C(=O)[O-])n1
MR,Modify the molecule ClC1=C(I)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1 to decrease its MR value.,IC1=CC(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccccc2)O1
QED,Modify the molecule C=C(C)COCC[NH2+]Cc1cccnc1C(N)=[NH+]O to increase its QED value.,C=C(C)COCC[NH2+]Cc1cccnc1C(=[NH+])N
AtomNum,"There is a molecule composed of 15 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CC[NH2+]C(Cc1ccc(F)cc1C)c1cnc(C)s1
BondNum,"Please generate a molecule consisting 10 single bonds, 2 double bonds, 6 rotatable bonds, and 22 aromatic bonds.",COc1ccc(Cl)c(-c2noc3ncn(CCC(=O)Nc4ccccc4C)c(=O)c23)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 amide groups.",O=C(NCCCC(=O)N(Cc1ccco1)Cc1ccco1)c1ccccc1
AddComponent,Modify the molecule CCCCCCCC1CCC(CCCOc2ccc(-c3ncc(CCC)cn3)cc2)CC1 by adding a hydroxyl.,CCCCC(O)CCC1CCC(CCCOc2ccc(-c3ncc(CCC)cn3)cc2)CC1
SubComponent,Substitute a hydroxyl in the molecule CC1(C(=O)[O-])CCCN1C(=O)N1CCCCC1CCO with a thiol.,CC1(C(=O)[O-])CCCN1C(=O)N1CCCCC1CCS
DelComponent,Please remove a N#Cc1ccc(NC(=O)NC2CC[NH+]3CCCCC23)cc1Br from the molecule nitrile.,O=C(Nc1cccc(Br)c1)NC1CC[NH+]2CCCCC12
LogP,Optimize the molecule Nc1cc[nH+]c(Nc2ccc(F)c(Br)c2)c1 to have a lower LogP value.,Nc1cc[nH+]c(Nc2cccc(Br)c2)c1
MR,Modify the molecule Cc1cncc(Cn2nc(C)c(CO)c2C)c1 to decrease its MR value.,Cc1cncc(Cn2nc(C)c(C)c2C)c1
QED,Optimize the molecule COc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cn1 to have a lower QED value.,COc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)c(CC=O)n1
AtomNum,"The molecule has 13 carbon atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CCC([NH3+])Cc1ccc(Sc2cccs2)nc1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",CC(=O)Nc1nc(OCC2CC2)c2cc(-c3ccc(F)cc3)ccc2n1
FunctionalGroup,Please generate a molecule with and 1 amide group.,COc1ccc2nc(C(N)=O)n(C3CC3)c2c1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(CC(NC(=O)[O-])c2nc3ccc(F)cc3[nH]2)cc1.,COc1ccc(CC(NC(=O)[O-])c2nc3ccc(F)cc3[nH]2)c(O)c1
SubComponent,Substitute a hydroxyl in the molecule O=C1N(C2CCC(O)CC2)CCC12CCCN(c1ncc(N3CCCC3)cc1Cl)C2 with a thiol.,O=C1N(C2CCC(S)CC2)CCC12CCCN(c1ncc(N3CCCC3)cc1Cl)C2
DelComponent,Remove a CNC(=O)ON=C(C)c1ccc(OC)cc1 from the molecule benzene ring.,CNC(=O)ON=C(C)OC
LogP,Modify the molecule CCCCN(c1cc(Br)ccc1C(N)=[NH2+])C(C)CC to decrease its LogP value.,CCCCN(c1cc(O)ccc1C(N)=[NH2+])C(C)CC
MR,Optimize the molecule CC(=O)N1CCC2(CC1)CNc1ccccc1N2 to have a lower MR value.,CC(=O)N1CCC2(CC1)Cc1ccccc1N2
QED,Please optimize the molecule COc1cccc(-c2nnc(CCNC(=O)CC(C)C)o2)c1 to have a lower QED value.,COc1nnc(CCNC(=O)CC(C)C)o1
AtomNum,"There is a molecule composed of 16 carbon atoms, 1 nitrogen atom, 1 sulfur atom, 1 fluorine atom, and 2 bromine atoms.",CCC[NH2+]C(Cc1cc(Br)ccc1F)c1cc(C)c(Br)s1
BondNum,"There is a molecule composed of 5 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",Nc1cc2ccccc2cc1C(=O)NCc1cncs1
FunctionalGroup,Please generate a molecule with and 1 amide group.,Cc1ccc2c(CC(=O)N3CCC(C)CC3)coc2c1C
AddComponent,Modify the molecule CCCCC([NH3+])c1cc(OCC)c(OCC)c(OCC)c1 by adding a benzene ring.,CCCCC([NH3+])c1cc(OCC)c(OCC)c(OCC)c1-c1ccccc1
SubComponent,Substitute a O=C(COc1ccc(Br)cc1Br)N1CCN(c2ccccc2)CC1 in the molecule halo with a thiol.,O=C(COc1ccc(S)cc1Br)N1CCN(c2ccccc2)CC1
DelComponent,Remove a CC(C)Cc1noc(CNc2ccc(S(=O)(=O)C3CCCC3)cc2)n1 from the molecule amine.,CC(C)Cc1noc(Cc2ccc(S(=O)(=O)C3CCCC3)cc2)n1
LogP,Please modify the molecule CC(NC(=O)c1cc(Br)ccc1Br)C(=O)OC(C)(C)C to decrease its LogP value.,CC(NC(=O)c1cc(O)ccc1Br)C(=O)OC(C)(C)C
MR,Optimize the molecule N#CCNc1noc2c(Br)cccc12 to have a higher MR value.,N#CCNc1noc2c(Br)cc(O)cc12
QED,Modify the molecule Cc1ccc(C(=O)N2CCC(C(C)Cl)CC2)c(Cl)c1 to decrease its QED value.,Cc1cc(N)c(C(=O)N2CCC(C(C)Cl)CC2)c(Cl)c1
AtomNum,"The molecule has 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",CCCCCCC(=O)Nc1cc(Cl)ccc1N
BondNum,"There is a molecule consisting of 20 single bonds, 2 double bonds, 9 rotatable bonds, and 16 aromatic bonds.",CCOC(=O)c1c(C(C)[NH+](CC)CC)nc2sc3c(c2c1-c1ccc(OC)c(OC)c1)CCN=C3
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, and 2 halo groups.",CC1C(=O)NCCC[NH+]1CC(=O)N1CCCC1c1ccc(Cl)c(Cl)c1
AddComponent,Please add a aldehyde to the molecule CC(C)Oc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)C2c2cccc(Oc3ccccc3)c2)c1.,CC(C)Oc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)C2c2cccc(Oc3cccc(CC=O)c3)c2)c1
SubComponent,Please substitute a COc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)cc(Cl)c1OCC(N)=O in the molecule halo with a nitrile.,COc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)cc(C#N)c1OCC(N)=O
DelComponent,Modify the molecule hydroxyl by removing a [NH3+]C(CCO)c1c[nH]c2ccncc12.,CCC([NH3+])c1c[nH]c2ccncc12
LogP,Modify the molecule CCCc1c(NC)ncnc1Oc1ccc(Cl)cc1C to decrease its LogP value.,CC(=O)c1ccc(Oc2ncnc(NC)c2CCC)c(C)c1
MR,Modify the molecule COc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1F to have a higher MR value.,COc1ccc(CNC(=O)Nc2cccc(C(=O)[OH])c2)cc1F
QED,Please optimize the molecule c1ccc(N(c2cccc3c2oc2ccccc23)c2cc3c(c4c2oc2ccccc24)-c2cc4c(cc2C32c3ccccc3-c3ccccc32)-c2c(cc(N(c3ccccc3)c3cccc5c3oc3ccccc35)c3oc5ccccc5c23)C42c3ccccc3-c3ccccc32)cc1 to have a higher QED value.,c1ccc(N(c2cccc3c2oc2ccccc23)c2cc3c(c4c2oc2ccccc24)-c2cc4c(cc2C32c3ccccc3-c3ccccc32)-c2c(cc(Nc3cccc5c3oc3ccccc35)c3oc5ccccc5c23)C42c3ccccc3-c3ccccc32)cc1
AtomNum,"The molecule consists of 11 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cnccc1CNc1ccsc1
BondNum,"The molecule is composed of 14 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",COc1cccc(NC(=O)N(C)CC2(O)CC[NH2+]C2)c1
FunctionalGroup,The molecule is composed of and 3 benzene ring groups.,C1=CC(=Nc2ccccc2)C(=Nc2ccccc2)CC1=Nc1ccccc1
AddComponent,Please add a hydroxyl to the molecule Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)ccc1F.,Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(O)c2)ccc1F
SubComponent,Substitute a halo in the molecule N#CC(c1cccc(Cl)c1)N1CC([NH3+])C1 with a aldehyde.,CC(=O)c1cccc(C(C#N)N2CC([NH3+])C2)c1
DelComponent,Remove a amide from the molecule CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnc(-c2ccccc2Cl)n1N.,CC(Sc1nnc(-c2ccccc2Cl)n1N)c1ccc(-c2ccc(Cl)cc2)o1
LogP,Modify the molecule CC=CCC(CC)c1cc(OC)c(OC)cc1F to have a higher LogP value.,CC(=O)c1cc(OC)c(OC)cc1C(CC)CC=CC
MR,Please modify the molecule COc1ccccc1Cn1c(N)nc2cc(F)c(C)cc21 to increase its MR value.,COc1ccccc1Cn1c(N)nc2ccc(C)cc21
QED,Optimize the molecule CCCCOCC(S)(CC(F)(F)F)OP(=O)([O-])Cl to have a lower QED value.,CCCCOCC(S)(CC(F)(F)C(=O)[OH])OP(=O)([O-])Cl
AtomNum,"There is a molecule composed of 15 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCC1C[NH2+]C(CC)(CC)CN1C(C)CCOC
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCC1CC[NH+](Cc2ccc(C(N)=[NH2+])cc2Cl)C1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ester group, and 2 amide groups.",CC(C)c1ccc(COC(=O)CN2C(=O)Cc3ccccc3C2=O)cc1
AddComponent,Add a carboxyl to the molecule CC(=O)N1CC(CO)C2(CC[NH+](Cc3cccc4[nH]ccc34)CC2)C1.,CC(=O)N1CC(CO)C2(CC[NH+](Cc3cccc4[nH]c(C(=O)O)cc34)CC2)C1
SubComponent,Substitute a halo in the molecule O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1ccn(COc2cccc(Cl)c2)n1 with a hydroxyl.,O=C(Nc1cnn(Cc2ccccc2O)c1)c1ccn(COc2cccc(Cl)c2)n1
DelComponent,Please remove a Cc1cccc(C(C)C)c1NC(=O)COC(=O)CCCOc1ccccc1 from the molecule amide.,Cc1cccc(C(C)C)c1OC(=O)CCCOc1ccccc1
LogP,Please optimize the molecule COCCSc1nnc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)s1 to have a lower LogP value.,COCCSc1nnc(NC(=O)c2ccc(C)c(NC(=O)c3cccc(N)c3)c2)s1
MR,Modify the molecule CNC(=O)C([NH3+])(COCc1ccccc1)C(=O)N(C)c1ccc(-c2ccccc2)cc1 to decrease its MR value.,CNC(=O)C([NH3+])(COCc1ccccc1)C(=O)N(C)c1ccccc1
QED,Modify the molecule Cc1cc2c(cc1Cl)OC(C)CC(=O)N2C to have a lower QED value.,Cc1ccc2c(c1)N(C)C(=O)CC(C)O2
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(O)C1CCCN(C(=O)NCCc2ccccc2)C1
BondNum,"Please generate a molecule with 9 single bonds, 2 rotatable bonds, and 9 aromatic bonds.",c1cc2c(CC3CCCCC3)[nH]cnc-2n1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, and 1 halo group.",COC(=O)c1ncn(C(c2ccccc2Cl)C(C)[NH3+])n1
AddComponent,Modify the molecule CCOC(=O)C1CCCN(c2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])C1 by adding a carboxyl.,CCOC(=O)C1CCCN(c2ncnc(Nc3ccc(N=Nc4ccccc4C(=O)O)cc3)c2[N+](=O)[O-])C1
SubComponent,Please substitute a CCn1c(=O)n(CCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21 in the molecule halo with a carboxyl.,CCn1c(=O)n(CCC(=O)Nc2nc(-c3ccc(C(=O)[OH])cc3)cs2)c2ccccc21
DelComponent,Remove a CCCCCCOP(=O)(OCCCCCC)OC(C=C(Cl)Cl)=C(Cl)Cl from the molecule halo.,CCCCCCOP(=O)(OCCCCCC)OC(C=CCl)=C(Cl)Cl
LogP,Modify the molecule O=C(CCBr)N1CCC[NH+](CCO)CC1 to have a higher LogP value.,OCC[NH+]1CCC(CBr)CC1
MR,Optimize the molecule CCCCCCCCCCCCCCOC(=O)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] to have a higher MR value.,CCCCCCCCCCCCCCOC(=O)CC(NC(=O)OCC1c2ccccc2-c2cc(C#N)ccc21)C(=O)[O-]
QED,Modify the molecule CN=C1C=CC2(C)C(=C1)CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO to have a higher QED value.,CN=C1C=CC2(C)C(=C1)CCC1C2C(=O)CC2(C)C1CCC2(O)C(C)=O
AtomNum,"The molecule consists of 13 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCC(C)([NH2+]C1CCOC2(CCOC2)C1)C(=O)[O-]
BondNum,"The molecule is composed of 17 single bonds, 2 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",CCCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2c(F)cccc2Cl)CC1
FunctionalGroup,There is a molecule with and 2 amide groups.,CNC(=O)C1COCCN1C(=O)CC1CCCCC1[NH3+]
AddComponent,Modify the molecule CCC1(C(=O)[O-])CCN(C(=O)CSCC#N)C1 by adding a hydroxyl.,CCC1(C(=O)[O-])CCN(C(=O)CSCC#N)C1O
SubComponent,Substitute a CC(=O)N(CCNC(=O)c1cccc(F)c1)CCc1cccc(Cl)c1 in the molecule halo with a carboxyl.,CC(=O)N(CCNC(=O)c1cccc(C(=O)[OH])c1)CCc1cccc(Cl)c1
DelComponent,Remove a amine from the molecule CCCCS(=O)(=O)NC1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1.,CCCCS(=O)(=O)C1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1
LogP,Modify the molecule Cc1ccc(-c2noc(CCC(=O)NC(C)C(=O)N3CCS(=O)(=O)CC3)n2)cc1F to decrease its LogP value.,Cc1ccc(-c2noc(CCC(=O)NC(C)C(=O)N3CCS(=O)(=O)C(O)C3)n2)cc1F
MR,Please optimize the molecule CCOc1ccc(Cn2c(C)nc3c(C)cc(-c4cccc(C(=O)[O-])c4)cc32)c(C)c1 to have a lower MR value.,CCOCCn1c(C)nc2c(C)cc(-c3cccc(C(=O)[O-])c3)cc21
QED,Modify the molecule CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cccc(OC)c3)cc12 to have a lower QED value.,CNc1nc(-c2cccnc2)nc2c(OC)c(-c3ccccc3)c(-c3cccc(OC)c3)cc12
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)CNC(=O)C[NH+]1CCc2nc(NC(=O)OC)sc2C1
BondNum,"The molecule consists of 7 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",CC([NH3+])c1nnnn1-c1c(F)cc(Br)cc1F
FunctionalGroup,"The molecule has 2 amine groups, and 2 nitrile groups.",CNC([NH2+]CCNCc1ccc(C[NH+](C)C)o1)=C(C#N)C#N
AddComponent,Please add a hydroxyl to the molecule CC(CC=C[NH+](C)C)=C(C)c1ccccc1.,CC(CC=C[NH+](C)C)=C(CO)c1ccccc1
SubComponent,Modify the molecule halo by substituting a C=CC(=O)NC1COc2c(cccc2Oc2cnc(Cl)c(C)c2)C1 with a hydroxyl.,C=CC(=O)NC1COc2c(cccc2Oc2cnc(O)c(C)c2)C1
DelComponent,Remove a CN(C)c1ccc(C=C2[NH+]=C(c3ccccc3)N(Nc3nc(Nc4nc5ccccc5s4)nc(Nc4nc5ccccc5s4)n3)C2=O)cc1 from the molecule amide.,CN(C)c1ccc(CN(C(=[NH+])c2ccccc2)c2nc(Nc3nc4ccccc4s3)nc(Nc3nc4ccccc4s3)n2)cc1
LogP,Please optimize the molecule C[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C(C[NH3+])C1 to have a lower LogP value.,C[NH+]1CCN(C(=O)c2ccc(C(O)(F)F)nc2)C(C[NH3+])C1
MR,Please optimize the molecule CCCNc1nccc(N(CCOC)C(C)C)n1 to have a higher MR value.,COCCN(c1ccnc(NCC(C)CC=O)n1)C(C)C
QED,Modify the molecule CC1(Nc2ncc([N+](=O)[O-])s2)CCC1 to decrease its QED value.,CC1(c2ncc([N+](=O)[O-])s2)CCC1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 7 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC(=O)N(C(=O)c1ccccc1-c1ccccc1)C(CS(=O)(=O)[O-])C(=O)[O-]
BondNum,"Please generate a molecule consisting 15 single bonds, and 7 rotatable bonds.",C[NH2+]CC(COC)OCC(F)(F)C(F)(F)F
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfide group.",COCCOc1ccc(F)cc1NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C
AddComponent,Add a benzene ring to the molecule CC([NH3+])Cc1c(-c2ccc(C(F)(F)F)cc2)cnn1C.,Cn1ncc(-c2ccc(C(F)(F)F)cc2)c1CC([NH3+])Cc1ccccc1
SubComponent,Modify the molecule halo by substituting a CC(=NOCc1cccc(C)n1)c1ccc(Cl)c(CN2CCN(C)C2=O)c1 with a thiol.,CC(=NOCc1cccc(C)n1)c1ccc(S)c(CN2CCN(C)C2=O)c1
DelComponent,Modify the molecule halo by removing a Cc1cnn(CC[NH2+]CCOCC(F)(F)F)c1.,Cc1cnn(CC[NH2+]CCOCC(F)F)c1
LogP,Modify the molecule CC(C)(C)c1ccc(NC(=O)N2CCCC(NC(=O)Cc3ccc(F)cc3)C2)cc1 to have a lower LogP value.,CC(C)(C)c1ccc(NC(=O)N2CCCC(NC(=O)Cc3ccccc3)C2)cc1
MR,Please modify the molecule CCCNC(NCC(C)[NH+]1CCN(c2ccccc2)CC1)=[NH+]C to decrease its MR value.,CCCNC(CC(C)[NH+]1CCN(c2ccccc2)CC1)=[NH+]C
QED,Modify the molecule CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1ccc(S(C)=O)cc1 to have a lower QED value.,CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1ccc(S(C)=O)cc1O
AtomNum,"Please generate a molecule with 9 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CN=C(C)On1nnc2ccccc21
BondNum,"There is a molecule consisting of 13 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1
FunctionalGroup,"The molecule consists of 1 ester group, 1 amide group, and 7 halo groups.",O=C1OC2(CCCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)C2)c2ccccc21
AddComponent,Modify the molecule CCc1cnc(CCNC(NCCNS(C)(=O)=O)=[NH+]C)s1 by adding a benzene ring.,CCc1cnc(CCNC(NCC(NS(C)(=O)=O)c2ccccc2)=[NH+]C)s1
SubComponent,Modify the molecule Cc1cc(C)cc(NC(=O)C(C)(C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1
DelComponent,Remove a Cn1cc(Cc2cccc(F)c2)[nH+]c1N from the molecule benzene ring.,Cn1cc(CF)[nH+]c1N
LogP,Please modify the molecule O=c1ccc2cnc(NCC(F)(F)F)[nH]c-2n1 to increase its LogP value.,O=c1ccc2cnc(CC(F)(F)F)[nH]c-2n1
MR,Modify the molecule C=NC(=O)C1CCC(CCCC(C)CCCC(C)C)CC1C(N)=O to increase its MR value.,C=NC(=O)C1C(C(N)=O)CC(CCCC(C)CCCC(C)C)CC1c1ccccc1
QED,Modify the molecule COc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(N(C)C)cc4)C3c3cccc(OC(C)C)c3)oc12 to have a lower QED value.,COc1cc(Cl)cc2cc(C(=O)C3=C(C#N)C(=O)N(c4ccc(N(C)C)cc4)C3c3cccc(OC(C)C)c3)oc12
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CC(C)(C)OC(=O)N(Cc1cc2ccccc2o1)C(=O)OC(C)(C)C
BondNum,"The molecule is composed of 16 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",CCOC(=O)C1CCc2sc(C3(C)CCCCO3)nc21
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 halo group.",O=C(NCCCl)c1nc(=O)c2ccccc2[nH]1
AddComponent,Add a benzene ring to the molecule Cc1cc2nc(NC(=O)C3CCC(C)(C(=O)[O-])C3(C)C)[nH]c2cc1C.,Cc1cc2[nH]c(NC(=O)C3CCC(C)(C(=O)[O-])C3(C)C)nc2cc1Cc1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)(C[NH+]1CC2CCC(O)C2C1)C(O)c1ccccc1 with a aldehyde.,CC(=O)C1CCC2C[NH+](CC(C)(C)C(O)c3ccccc3)CC21
DelComponent,Modify the molecule CCn1nc(CC(O)c2sccc2Br)c2ccccc21 by removing a halo.,CCn1nc(CC(O)c2cccs2)c2ccccc21
LogP,Modify the molecule Cc1cc(-c2ccc3c(c2)CC(=O)N3)nc(CCO)n1 to have a higher LogP value.,Cc1cc(-c2ccccc2)nc(CCO)n1
MR,Modify the molecule CCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O to increase its MR value.,CC(=O)c1ccc(CN(C(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)C(Cc2ccccc2)C(=O)NCCC)c(Cl)c1
QED,Optimize the molecule Cc1cccc(CC#CCc2ccccc2)n1 to have a lower QED value.,CC#CCc1cccc(C)n1
AtomNum,"There is a molecule with 50 carbon atoms, and 4 nitrogen atoms.",c1ccc(-c2cnc(-c3ccc(-c4ccc5ccc6ccc(-c7cccc(-c8ccc9c%10c(cccc8%10)-c8ccccc8-9)c7)nc6c5n4)cc3)nc2)cc1
BondNum,"The molecule contains 18 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CCCc1ncc(C[NH+]2CCCCC3CN(C(=O)c4ccccc4)CC32)cn1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, 1 amine group, and 1 halo group.",CCc1ccc(Nc2noc3c(C(=O)OC)c(Cl)ccc23)cc1
AddComponent,Please add a benzene ring to the molecule C[NH+]1CCC(Oc2ccc(C(N)=S)cc2Br)CC1.,C[NH+]1CCC(Oc2ccc(C(N)=S)c(-c3ccccc3)c2Br)CC1
SubComponent,Substitute a O=C(NCc1ncccc1F)C1CCN(CC[NH2+]Cc2nc3ccccc3[nH]2)C1 in the molecule halo with a hydroxyl.,O=C(NCc1ncccc1O)C1CCN(CC[NH2+]Cc2nc3ccccc3[nH]2)C1
DelComponent,Modify the molecule CC1(C)CCC(C)(CC(=O)Nc2nc3ccc(Cl)nc3n2C2=CC=C2)O1 by removing a halo.,CC1(C)CCC(C)(CC(=O)Nc2nc3cccnc3n2C2=CC=C2)O1
LogP,Please optimize the molecule CCC(C(F)(F)C(CC)(CC)S(=O)(=O)[O-])S(=O)(=O)Oc1ccccc1 to have a lower LogP value.,CCC(C(F)(F)C(CC)(CC)S(=O)(=O)[O-])S(=O)(=O)O
MR,Optimize the molecule CCCC1C(=O)OC1C(=O)NCc1ccc(Cl)cc1Cl to have a lower MR value.,CCCC1C(=O)OC1C(=O)NCc1ccccc1Cl
QED,Please modify the molecule O=C(NCCCC(F)(F)F)c1nc[nH]c1C(=O)[O-] to decrease its QED value.,O=C(NCCCC(F)(F)S)c1nc[nH]c1C(=O)[O-]
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",C[NH+]1CCN(NC(=O)c2ccc(C#CC[NH3+])c(Cl)c2)CC1
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 8 rotatable bonds, and 16 aromatic bonds.",Cc1ccc(C(=O)NC(C(=O)NCCNc2cc(C)nc3ncnn23)C(C)C)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 hydroxyl group.",Cc1cc(NC(=O)NCC[NH+]2CCC(O)(Cc3ccccc3)CC2)c2ncn(C)c2n1
AddComponent,Modify the molecule N#CC1(NC(=O)Cc2ccccc2)CCCC1 by adding a hydroxyl.,N#CC1(NC(=O)Cc2cccc(O)c2)CCCC1
SubComponent,Modify the molecule CN(CC(=O)Nc1ccccc1Br)C(=O)CCc1cccnc1 by substituting a halo with a nitrile.,CN(CC(=O)Nc1ccccc1C#N)C(=O)CCc1cccnc1
DelComponent,Remove a COc1ccc(CC(=O)N2CCc3[nH]nc(C(=O)N4CCN(c5ccccc5C)CC4)c3C2)cc1 from the molecule amide.,COc1ccc(C2Cc3[nH]nc(C(=O)N4CCN(c5ccccc5C)CC4)c3C2)cc1
LogP,Optimize the molecule Cc1c(C(=O)NCc2cccs2)cnn1C to have a lower LogP value.,Cc1c(C(=O)NCc2cccs2)c(O)nn1C
MR,Please optimize the molecule CC(CC#N)C(NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)=O to have a lower MR value.,CC(CC#N)C(C(N)=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
QED,Modify the molecule CCc1ccc(C2=CCC(=O)N(CCC(=O)NCC(OC)OC)N2)cc1 to have a higher QED value.,CCc1ccc(C2=CCC(=O)N2CCC(=O)NCC(OC)OC)cc1
AtomNum,"The molecule has 24 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 5 fluorine atoms.",COC1CC(S(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2C(F)(F)F)CC1C(=O)NC1(C#N)CC1
BondNum,"There is a molecule composed of 12 single bonds, 4 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 amide groups, and 1 halo group.",CC(C)CCC1(C2CCN(C(=O)c3ccccc3Cl)CC2)NC(=O)N(CC[NH+](C)C)C1=O
AddComponent,Add a aldehyde to the molecule CNC(=O)c1ccc(NCC2(O)CCC(C(C)(C)C)CC2)nn1.,CNC(=O)c1ccc(NCC2(O)CCC(CC=O)(C(C)(C)C)CC2)nn1
SubComponent,Substitute a hydroxyl in the molecule Oc1ccc(Br)cc1C[NH2+]CCC[NH+]1CCOCC1 with a thiol.,Sc1ccc(Br)cc1C[NH2+]CCC[NH+]1CCOCC1
DelComponent,Please remove a amide from the molecule CC(NC(=O)C=CC(=O)c1ccccc1)C(=O)[O-].,CC(CC(=O)c1ccccc1)C(=O)[O-]
LogP,Modify the molecule CCOC(=O)c1cnc(SCC(=O)c2ccc(F)cc2)nc1N to decrease its LogP value.,CCOC(=O)c1cnc(SCC(=O)c2ccccc2)nc1N
MR,Modify the molecule Cc1c(CNC(CC#N)c2ccccc2)cnn1C to have a higher MR value.,CC(=O)CC(NCc1cnn(C)c1C)c1ccccc1
QED,Please optimize the molecule C[NH+]=C(NCC(C)(C)C)N1CCC(C)C(n2ccnc2)C1 to have a higher QED value.,CC1CCN(C(C)NCC(C)(C)C)CC1n1ccnc1
AtomNum,"The molecule contains 15 carbon atoms, and 3 oxygen atoms.",OCCc1ccccc1OCC1(O)CCCCC1
BondNum,"Please generate a molecule composed of 13 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",O=C(c1ccccc1)N1CCC(Cn2cnc3sc4c(c3c2=O)CCC4)C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amine group.",CC1(C)CCC[NH+](CCCNc2ccccc2)CC1
AddComponent,Please add a amine to the molecule c1ccc(Cn2nnnc2SCCCc2nc(-c3cccs3)no2)cc1.,NC(CCc1nc(-c2cccs2)no1)Sc1nnnn1Cc1ccccc1
SubComponent,Modify the molecule COc1cccc(CC(NN)c2ccc(C)cc2C)c1F by substituting a halo with a nitro.,COc1cccc(CC(NN)c2ccc(C)cc2C)c1NO
DelComponent,Please remove a halo from the molecule COc1ccc(NC(=O)Cc2nc(-c3cccc(F)c3)oc2C)cc1Cl.,COc1ccc(NC(=O)Cc2nc(-c3cccc(F)c3)oc2C)cc1
LogP,Modify the molecule CC(C)N1CCn2c(N(C)C(=O)CCCCCNC(=O)c3[nH]nc4ncccc34)cc(=O)c([O-])c2C1=O to decrease its LogP value.,CC(C)N1CCn2c(N(C)C(=O)CCCCCNC(=O)c3[nH]nc4nc(C(=O)O)ccc34)cc(=O)c([O-])c2C1=O
MR,Modify the molecule O=S(=O)(NCCC[NH2+]C1CC1)c1cc(Cl)ccc1Cl to increase its MR value.,O=S(=O)(NCCC[NH2+]C1CC1)c1cc(Cl)c(-c2ccccc2)cc1Cl
QED,Modify the molecule CC(Sc1ccccn1)C(=O)N1CCC2(CC1)[NH2+]CCNC2=O to have a lower QED value.,O=C1NCC[NH2+]C12CCC[SH](c1ccccn1)CC2
AtomNum,"The molecule contains 9 carbon atoms, 4 oxygen atoms, 3 fluorine atoms, and 1 phosphorus atom.",O=P1([O-])OCCCCCCCC(C(F)(F)F)O1
BondNum,"Please generate a molecule with 22 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC1C[NH+](Cc2ccc(C=C3CC[NH+](C4CCC4)CC3)cc2)CC(C)O1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, 1 halo group, and 1 sulfide group.",Cc1cc(C(O)c2ccc(Br)s2)co1
AddComponent,Add a carboxyl to the molecule NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(F)cc2F)c1.,NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(F)c(C(=O)O)c2F)c1
SubComponent,Please substitute a CC(C)(C)OCC(=O)N1CCCCC1CCO in the molecule hydroxyl with a thiol.,CC(C)(C)OCC(=O)N1CCCCC1CCS
DelComponent,Modify the molecule CCC1CN(C(=O)CC(C)CC(=O)[O-])CCCO1 by removing a amide.,CCC1OCCCC1C(C)CC(=O)[O-]
LogP,Modify the molecule OB(O)c1cc(F)ccc1N1CCCC1 to have a lower LogP value.,ONc1ccc(N2CCCC2)c(B(O)O)c1
MR,Modify the molecule CC(C)COC(=O)CS(=O)Cc1ccc(Cl)cc1 to have a lower MR value.,CC(C)COC(=O)CS(=O)Cc1ccccc1
QED,Modify the molecule CC12CCC(=O)N1C(C(=O)NCC(Oc1ccc(F)cc1)C(=O)[O-])CS2 to increase its QED value.,CC12CCC(=O)N1C(C(Oc1ccc(F)cc1)C(=O)[O-])CS2
AtomNum,"There is a molecule consisting of 19 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COc1ccccc1CCCOC(=O)Nc1ccc(C)c(C)c1
BondNum,"There is a molecule composed of 22 single bonds, 4 double bonds, 11 rotatable bonds, and 11 aromatic bonds.",[NH3+]C(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)[O-]
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ketone group, 1 ester group, and 1 halo group.",COCCn1c(C)cc(C(=O)COC(=O)c2cccc(Br)c2)c1C
AddComponent,Modify the molecule O=C(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc(-c3ccc(Cl)cc3F)no2)CC1 by adding a hydroxyl.,O=C(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc(-c3ccc(Cl)cc3F)no2)CC1O
SubComponent,Substitute a nitrile in the molecule CCC(C)NC(=O)CCC(C#N)c1cccnc1 with a thiol.,CCC(C)NC(=O)CCC(S)c1cccnc1
DelComponent,Modify the molecule Cn1ncnc1C1COCCN1C(=O)C[NH+](C)C1CCSC1 by removing a amide.,Cn1ncnc1C1([NH+](C)C2CCSC2)CCOC1
LogP,Please modify the molecule CCN(C(=O)c1ccc(OC)c(F)c1)C1CCCC1C[NH3+] to decrease its LogP value.,CCN(C(=O)c1ccc(OC)c(C(=O)[OH])c1)C1CCCC1C[NH3+]
MR,Please modify the molecule OC(COc1ccccc1)CN1CC[NH2+]CC1 to increase its MR value.,N#CC(COc1ccccc1)CN1CC[NH2+]CC1
QED,Optimize the molecule CCC(C)[NH2+]C1(CN)CCC1 to have a lower QED value.,CCC(CO)[NH2+]C1(CN)CCC1
AtomNum,"The molecule contains 19 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC(C)COc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1
BondNum,"The molecule is composed of 15 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC(C1CCCCC1)C1CNc2c(Cl)cc(Cl)cc21
FunctionalGroup,"There is a molecule with 1 amine group, 4 halo groups, and 1 sulfide group.",Nc1csc2c(Br)c(C(F)(F)F)ccc12
AddComponent,Please add a benzene ring to the molecule Cc1noc(C=Cc2cn(CCOc3ccccc3)c3ccccc23)c1[N+](=O)[O-].,Cc1noc(C=Cc2cn(CCOc3ccc(-c4ccccc4)cc3)c3ccccc23)c1[N+](=O)[O-]
SubComponent,Modify the molecule CCCCCCCCCC1CC(O)c2ccc(Br)cc2O1 by substituting a halo with a aldehyde.,CC(=O)c1ccc2c(c1)OC(CCCCCCCCC)CC2O
DelComponent,Remove a benzene ring from the molecule CCCc1ccc(S(=O)(=O)N2CC[NH+](C(C)c3nc(Nc4ccccc4C)c4ccccc4n3)CC2)cc1.,CCCc1ccc(S(=O)(=O)N2CC[NH+](C(C)c3nc(NC)c4ccccc4n3)CC2)cc1
LogP,Optimize the molecule CCc1ccc(C(C(=O)Nc2ccc3ccccc3c2)N(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(C)C)cc1 to have a higher LogP value.,CCc1ccc(C(C(=O)Nc2ccc3ccccc3c2)N(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)Cc2ccccc2)C(C)C)cc1
MR,Please optimize the molecule COc1ccc(CCN2C(=O)NC(NC(=O)c3cccc(OC)c3)(C(F)(F)F)C2=O)cc1 to have a lower MR value.,COc1ccc(CCN2C(=O)NC(NC(=O)c3cccc(OC)c3)(C(F)F)C2=O)cc1
QED,Optimize the molecule Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Br)s1 to have a lower QED value.,Cc1ccc(S(=O)(=O)N(C)C)cc1S(=O)(=O)c1ccc(Br)s1
AtomNum,"The molecule contains 28 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, 3 fluorine atoms, and 2 chlorine atoms.",CN(C)C(=O)c1c(Cl)cc(-c2cnc(N3CCN(C(=O)C(O)(c4ccccc4)C(F)(F)F)CC3)c(C#N)c2)cc1Cl
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 2 rotatable bonds, and 5 aromatic bonds.",CC1(c2ncn(C3CCCCO3)n2)C=CC(Br)=CC1
FunctionalGroup,"The molecule has 1 ester group, 1 amide group, and 1 sulfide group.",CCOC(=O)CNC(=O)Cn1nc(C)c2c(-c3cccs3)ccnc21
AddComponent,Please add a benzene ring to the molecule COCCCNc1ncnc(Oc2cc(C)cc(C)c2)c1N.,COC(CCNc1ncnc(Oc2cc(C)cc(C)c2)c1N)c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule C=CCN(CCC)C(=O)C1C2C(=O)N(C(C)CO)C(C(=O)N(CC=C)CC[NH+]3CCOCC3)C23CC(C)C1(C)O3 with a carboxyl.,C=CCN(CCC)C(=O)C1C2C(=O)N(C(C)CC(=O)[OH])C(C(=O)N(CC=C)CC[NH+]3CCOCC3)C23CC(C)C1(C)O3
DelComponent,Modify the molecule amine by removing a COc1cccc(CCNc2ccnc(Nc3ccc4c(c3)OCCO4)n2)c1.,COc1cccc(CCc2ccnc(Nc3ccc4c(c3)OCCO4)n2)c1
LogP,Please optimize the molecule CCCCC(C)NS(=O)(=O)c1cc(Cl)cc(C[NH3+])c1C to have a lower LogP value.,CCCCC(C)NS(=O)(=O)c1cccc(C[NH3+])c1C
MR,Modify the molecule CC=C(Cl)C1=C(C(=O)OCc2ccc(OC)cc2)N2C(=O)CC2SC1NC(=O)Cc1ccccc1 to decrease its MR value.,CC=C(NO)C1=C(C(=O)OCc2ccc(OC)cc2)N2C(=O)CC2SC1NC(=O)Cc1ccccc1
QED,Modify the molecule Cc1cc(C)c(C(Cl)c2cc(Br)ccc2I)c(C)c1 to increase its QED value.,Cc1cc(C)c(Cc2cc(Br)ccc2I)c(C)c1
AtomNum,"The molecule is composed of 21 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CN1CC[NH+](Cc2cccc(NC(=O)CCc3nnc(-c4ccsc4)o3)c2)CC1
BondNum,"The molecule consists of 9 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCC(=O)NCCNC(=O)c1ccc(-c2ccccc2)cc1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3cc(Cl)ccc3C(=O)NC3CCCC3)CC2)cccc1C(=O)Nc1cccc(F)c1
AddComponent,Please add a hydroxyl to the molecule CCOc1ccccc1C(=O)Nc1cnn(Cc2ccccc2F)c1.,CCOc1ccccc1C(=O)Nc1cnn(Cc2cccc(O)c2F)c1
SubComponent,Modify the molecule hydroxyl by substituting a O=C(NC(=S)NC1(c2ccccc2F)CCOC(COCc2ccccc2)C1CO)c1ccccc1 with a halo.,O=C(NC(=S)NC1(c2ccccc2F)CCOC(COCc2ccccc2)C1CF)c1ccccc1
DelComponent,Modify the molecule amine by removing a CCN(C(=O)CSc1nnc(NCc2ccc(F)cc2)s1)C1=CCCCC1.,CCN(C(=O)CSc1nnc(Cc2ccc(F)cc2)s1)C1=CCCCC1
LogP,Please modify the molecule COc1c(C)c(OC)c2c(c1O)C1C3Cc4c(OC)c(C)c(OC)c(O)c4C(CN4C(=O)c5cccnc5C4=O)N3C(C#N)C(C2)N1C to decrease its LogP value.,COc1c(C)c(OCO)c2c(c1O)C1C3Cc4c(OC)c(C)c(OC)c(O)c4C(CN4C(=O)c5cccnc5C4=O)N3C(C#N)C(C2)N1C
MR,Please optimize the molecule CC(C)CNc1nc(-c2cncc(S(N)(=O)=O)c2)cc2cccc(-c3ccccc3)c12 to have a lower MR value.,CC(C)CNc1nc(-c2cncc(S(N)(=O)=O)c2)cc2ccccc12
QED,Please modify the molecule CCC(C#N)S(=O)(=O)NCCC(C)c1ccccc1 to decrease its QED value.,CCCS(=O)(=O)NCCC(C)c1ccccc1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 1 oxygen atom, and 7 nitrogen atoms.",CCNC(NC1CCN(C(=O)C(CC)CC)CC1)=[NH+]Cc1nnc(C)n1C
BondNum,"The molecule contains 19 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)Nc1ccc(C(=O)OCC23CC4CC(CC(C4)C2)C3)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 ketone group.",C=CC=C(CC1(C)CC1c1ccccc1)C(=O)CC
AddComponent,Please add a hydroxyl to the molecule Cc1cccc(CC2CC(C(C)(C)C)CCC2C[NH3+])c1.,Cc1cc(O)cc(CC2CC(C(C)(C)C)CCC2C[NH3+])c1
SubComponent,Modify the molecule halo by substituting a CCn1nc(C(=O)NNC(=O)C2CC2(Cl)Cl)c2ccccc2c1=O with a thiol.,CCn1nc(C(=O)NNC(=O)C2CC2(S)Cl)c2ccccc2c1=O
DelComponent,Remove a C[NH2+]CCCCc1ccc2c(c1)NC(=O)CO2 from the molecule amide.,C[NH2+]CCCCc1ccc2c(c1)O2
LogP,Optimize the molecule N#CCc1cc2ccc(C#N)c(Br)c2s1 to have a higher LogP value.,N#CCc1cc2cccc(Br)c2s1
MR,Please optimize the molecule Cc1cc(-c2ccc(F)cc2)nc(C[NH2+]C(C)C)n1 to have a higher MR value.,Cc1cc(-c2ccc(C(=O)[OH])cc2)nc(C[NH2+]C(C)C)n1
QED,Please modify the molecule Cc1ccccc1-c1[nH+]cc2c(C=O)cccn12 to decrease its QED value.,Cc1[nH+]cc2c(C=O)cccn12
AtomNum,"There is a molecule consisting of 17 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(C)Oc1cccc(C(=O)C(C#N)c2ccccn2)c1
BondNum,"There is a molecule with 10 single bonds, 1 double bond, 6 rotatable bonds, and 23 aromatic bonds.",COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)ccc(C)c2C)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 2 sulfide groups.",Cc1ccsc1C=c1sc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1=O
AddComponent,Modify the molecule CCCCCCCCCCCCOc1ccc(Sc2ccc(O)cc2)cc1 by adding a aldehyde.,CCCCC(CC=O)CCCCCCCOc1ccc(Sc2ccc(O)cc2)cc1
SubComponent,Please substitute a thiol in the molecule Cc1csc(SCC(CS)C(C)C)n1 with a aldehyde.,CC(=O)CC(CSc1nc(C)cs1)C(C)C
DelComponent,Please remove a amine from the molecule CC(Nc1ccc(N)c(C(N)=O)c1)C1CC2CCC1C2.,CC(c1ccc(N)c(C(N)=O)c1)C1CC2CCC1C2
LogP,Modify the molecule Cc1nn(-c2ccc(C#N)cc2)c(Cl)c1CCl to increase its LogP value.,Cc1nn(-c2ccc(F)cc2)c(Cl)c1CCl
MR,Please modify the molecule FC(F)(F)Oc1ccccc1CNC(=S)NCc1ccc(Cl)cc1Cl to increase its MR value.,FC(F)(S)Oc1ccccc1CNC(=S)NCc1ccc(Cl)cc1Cl
QED,Please optimize the molecule C#CCN(CC(=O)[O-])C(=O)c1cc(F)ccc1[N+](=O)[O-] to have a lower QED value.,C#CCN(CC(=O)[O-])C(=O)c1cc(C#N)ccc1[N+](=O)[O-]
AtomNum,"There is a molecule consisting of 15 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COC(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1
BondNum,"There is a molecule composed of 20 single bonds, 2 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",Cc1cc2c(cc1NC(=O)N1CC(c3ccccc3)=C(c3ccc(OC(F)F)cc3)[NH2+]1)OC(C)(C)O2
FunctionalGroup,Please generate a molecule consisting and 1 ester group.,CCOC(=O)c1nnc(C)n1Cc1nc(C)c(C)o1
AddComponent,Please add a aldehyde to the molecule CN(C)c1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1.,CN(C)c1ccc(C(=O)NCC(=O)Nc2cc(CC=O)c(F)c(F)c2F)cc1
SubComponent,Modify the molecule hydroxyl by substituting a COc1ccc2c(c1)CCCN2C(=O)OCCO with a nitrile.,COc1ccc2c(c1)CCCN2C(=O)OCCC#N
DelComponent,Please remove a hydroxyl from the molecule COCc1cc(C(=O)NCCO)no1.,CCNC(=O)c1cc(COC)on1
LogP,Please modify the molecule Cc1ccn(-c2ccc(C(=O)N3CCC(C)(C(=O)N(C)CC(N)=O)Cc4ccccc43)c(C)c2)n1 to decrease its LogP value.,Cc1ccn(-c2ccc(C(=O)N3CCC(C)(C(=O)N(C)CC(N)=O)Cc4cc(O)ccc43)c(C)c2)n1
MR,Please modify the molecule O=C([O-])CC1CCC([NH+]2CC3(CC3)CC3(CC3)C2)C(c2ccc(C(F)(F)F)cc2)C1 to decrease its MR value.,O=C([O-])CC1CCC([NH+]2CC3(CC3)CC3(CC3)C2)C(c2ccc(C(F)F)cc2)C1
QED,Please modify the molecule [NH3+]CCC(=O)NCCOc1ccc(F)cc1F to decrease its QED value.,[NH3+]CCC(=O)NCC(O)Oc1ccc(F)cc1F
AtomNum,"The molecule is composed of 13 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",CC(C)C(C)C(=O)Nc1cc(Br)ccc1C(=O)[O-]
BondNum,"The molecule is composed of 49 single bonds, 45 rotatable bonds, and 52 aromatic bonds.",CCCCCCCCCCCCc1ccc2c(c1)c1cc(CCCCCCCCCCCC)ccc1c1nc3cc(-c4ccc5nc6c7ccc(CCCCCCCCCCCC)cc7c7cc(CCCCCCCCCCCC)ccc7c6nc5c4)ccc3nc21
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 halo group.",C[NH2+]C1C(=O)N(C)c2ccc(Cl)cc21
AddComponent,Modify the molecule O=C(Nc1ccc(F)cc1OCC1CC1)N1CCn2c(n[nH]c2=O)C1 by adding a nitrile.,N#CC1CN(C(=O)Nc2ccc(F)cc2OCC2CC2)Cc2n[nH]c(=O)n21
SubComponent,Modify the molecule hydroxyl by substituting a COC1OC(COCC(=O)[O-])C(O)C(OCc2ccccc2)C1NC(=O)c1cnc[nH]1 with a nitrile.,COC1OC(COCC(=O)[O-])C(C#N)C(OCc2ccccc2)C1NC(=O)c1cnc[nH]1
DelComponent,Please remove a CCCCN(Cc1ccccc1)c1c(C)c[nH+]c2c1c(=O)n(C)c(=O)n2C from the molecule benzene ring.,CCCCN(C)c1c(C)c[nH+]c2c1c(=O)n(C)c(=O)n2C
LogP,Optimize the molecule CC(C)CN1CC[NH+](C2CCC(CO)([NH2+]C3CC3)C2)CC1 to have a higher LogP value.,CC(C)CN1CC[NH+](C2CCC(CC(=O)[OH])([NH2+]C3CC3)C2)CC1
MR,Optimize the molecule CCc1ccc(OCCCSc2nc(-c3cccc(F)c3)nc3cc(=O)[nH]n23)cc1 to have a higher MR value.,CCc1ccc(OCCCSc2nc(-c3cccc(NO)c3)nc3cc(=O)[nH]n23)cc1
QED,Please optimize the molecule c1cncc(COc2cccc(-c3noc(C45CCCC4C[NH2+]C5)n3)c2)c1 to have a higher QED value.,c1cncc(COc2noc(C34CCCC3C[NH2+]C4)n2)c1
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",COC(=O)c1ccc(Sc2ccc(Br)cc2[N+](=O)[O-])cc1
BondNum,"There is a molecule with 30 single bonds, 10 rotatable bonds, and 87 aromatic bonds.",Cc1ccc(N(c2ccc(C)cc2)c2cc(-c3c4ccc(C(C)(C)C)cc4c(-c4ccccc4)c4ccc(C(C)(C)C)cc34)c3ccc4c(N(c5ccc(C)cc5)c5ccc(C)cc5)cc(-c5c6ccc(C(C)(C)C)cc6c(-c6ccccc6)c6ccc(C(C)(C)C)cc56)c5ccc2c3c54)cc1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 amide group, and 1 amine group.",CCC(CC)Oc1ccc(CNc2ccc3c(c2)N(C(=O)c2ccc(C[NH+]4CCC(c5ccccc5OC(C)C)CC4)cc2)CC3)cc1
AddComponent,Modify the molecule CCN(CC)C(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)cc3C(N)=O)C(C)C)CC2)ccc1Cl by adding a hydroxyl.,CCN(CC)C(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NC(O)(C(=O)Nc3ccc(Cl)cc3C(N)=O)C(C)C)CC2)ccc1Cl
SubComponent,Substitute a CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2[nH]ncc2c1 in the molecule hydroxyl with a halo.,CC(I)Cc1c(-c2ccccc2)ncn1Cc1ccc2[nH]ncc2c1
DelComponent,Please remove a amine from the molecule C=Cc1c(N)c(N)c2c(c1C=C)=c1ccccc1=2.,C=Cc1c(N)cc2c(c1C=C)=c1ccccc1=2
LogP,Please optimize the molecule CCCNc1ccc(Cl)cc1C(=O)N(CC#N)CC#N to have a lower LogP value.,CCCNc1ccc(S)cc1C(=O)N(CC#N)CC#N
MR,Optimize the molecule CCCCN=C1Nc2ccc(C)cc2S(=O)(=O)N1 to have a lower MR value.,CCCCN=C1Nc2ccc(C)cc2S1(=O)=O
QED,Optimize the molecule CC(C)CC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1 to have a lower QED value.,CC(CO)CC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1
AtomNum,"The molecule has 16 carbon atoms, and 3 nitrogen atoms.",Cc1ccc(-c2nc3c(n2C2CC2)CC[NH2+]C3)cc1
BondNum,"The molecule has 11 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",COC(=O)CCSc1nc(C(F)(F)F)nc2ccc(C)cc12
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 amide groups.",COc1cccc(C(=O)N2CCN(C(=O)c3occc3C)CC2)c1
AddComponent,Please add a aldehyde to the molecule COCCCN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1.,COCCCN(C1Cc2cc(C#N)c(CC=O)cc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1
SubComponent,Substitute a C=C1C(=CC=C2CCCC3(C)C(C(C)CC=CC=CC(C)(C)O)=CCCC23)CC(O)CC1O in the molecule hydroxyl with a halo.,C=C1C(=CC=C2CCCC3(C)C(C(C)CC=CC=CC(C)(C)F)=CCCC23)CC(O)CC1O
DelComponent,Remove a O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2c(c1)CCCC2 from the molecule amide.,O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCCC2
LogP,Modify the molecule CCC1CCC([NH2+]CC#Cc2ccccc2)CC1 to have a lower LogP value.,C#CC[NH2+]C1CCC(CC)CC1
MR,Optimize the molecule C[NH2+]C(C(=O)[O-])C(C)C(F)(F)F to have a lower MR value.,C[NH2+]C(C(=O)[O-])C(C)C(F)F
QED,Modify the molecule Cc1nc(Cl)ccc1NS(=O)(=O)c1ccc(C#N)s1 to decrease its QED value.,Cc1nc(Cl)ccc1NS(=O)(=O)c1ccc(C(=O)[OH])s1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",CCC(Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccc(C)c(Br)c1
BondNum,"There is a molecule with 15 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCCCOC(=O)C1=C(C)NC(=O)CC1c1ccc(F)c(F)c1
FunctionalGroup,The molecule consists of and 1 halo group.,ClC1CCCCC1[NH+]1CCOCC1
AddComponent,Modify the molecule CC(=NNC(=O)COc1cccc(C)c1)c1ccc(O)cc1O by adding a aldehyde.,CC(=NNC(=O)COc1cccc(C)c1)c1cc(CC=O)c(O)cc1O
SubComponent,Modify the molecule [NH3+]C(CCc1c(F)ccc(Br)c1F)C1CCCC1 by substituting a halo with a nitrile.,N#Cc1ccc(Br)c(F)c1CCC([NH3+])C1CCCC1
DelComponent,Remove a amide from the molecule COc1ccc(C)cc1CCNC(=O)CNC(=O)c1ccccc1C.,COc1ccc(C)cc1CCNC(=O)c1ccccc1C
LogP,Modify the molecule O=C(Nc1ccc(NC(=S)Nc2ccc(NCC3CC[NH+](Cc4ccccc4)C3)c(Cl)c2)cc1)c1ccccc1F to have a lower LogP value.,O=C(Nc1ccc(NC(=S)Nc2ccc(NCC3CC[NH+](Cc4ccccc4)C3)c(S)c2)cc1)c1ccccc1F
MR,Modify the molecule CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)C(CCCC[NH3+])NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C(C)O)C(=O)NC(C(=O)NC(C)C(=O)[O-])C(C)C to increase its MR value.,CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)C(CCCC[NH3+])NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C(C)I)C(=O)NC(C(=O)NC(C)C(=O)[O-])C(C)C
QED,Modify the molecule CN(C)c1ccc(NC(=S)Nc2c(F)cccc2F)cc1 to have a lower QED value.,CN(C)c1ccc(NC(=S)Nc2c(F)cccc2C(=O)[OH])cc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CCOc1ccc(OCNC(=O)NCCNC(C)=O)cc1
BondNum,"The molecule has 6 single bonds, 5 rotatable bonds, and 18 aromatic bonds.",Clc1nc(NCCc2ccccc2)cc(-c2ccccc2)n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, 2 halo groups, 1 sulfide group, and 1 sulfone group.",[NH3+]CC#Cc1cc(F)cc(F)c1S(=O)(=O)Nc1nnns1
AddComponent,Please add a benzene ring to the molecule COc1cccc(F)c1COCC1CCC[NH2+]1.,COc1cccc(F)c1COCC1(c2ccccc2)CCC[NH2+]1
SubComponent,Substitute a halo in the molecule COc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1F with a thiol.,COc1ccc(C(=O)NCCOc2ccc(S)cc2)cc1F
DelComponent,Please remove a CCOC(=O)c1cnc(-c2ccccc2OC)nc1NC from the molecule benzene ring.,CCOC(=O)c1cnc(OC)nc1NC
LogP,Optimize the molecule N#CC(NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1F to have a higher LogP value.,CC(=O)C(NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1F
MR,Please modify the molecule CCn1cc2c(n1)C=C1CCC3C(C(O)CC4(C)C3CCC4(O)C(=O)CO)C1(C)C2 to increase its MR value.,CCn1cc2c(n1)C=C1CCC3C(C(C#N)CC4(C)C3CCC4(O)C(=O)CO)C1(C)C2
QED,Modify the molecule C=CC(=O)N(CC)CCCCCC[P+]([O-])([O-])O to have a lower QED value.,C=CC(=O)N(CC)CCCCC(O)C[P+]([O-])([O-])O
AtomNum,"There is a molecule consisting of 17 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 fluorine atom.",CC(C)(CNC(=O)c1ccc(F)cc1)c1ccccc1
BondNum,"The molecule has 6 single bonds, 2 double bonds, 3 rotatable bonds, and 10 aromatic bonds.",CCONC(=O)c1c(C)oc2nc[nH]c(=O)c12
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, 2 halo groups, 1 thioether group, and 1 sulfide group.",CN(C)C1=[NH+]N=C(c2ccc(Cl)cc2Cl)CS1
AddComponent,Modify the molecule CN(CCc1ccccn1)c1nc(NN)ncc1Cl by adding a carboxyl.,CN(CCc1cccc(C(=O)O)n1)c1nc(NN)ncc1Cl
SubComponent,Please substitute a CCCC(C)([NH2+]CCCCC#N)C(=O)[O-] in the molecule nitrile with a aldehyde.,CC(=O)CCCC[NH2+]C(C)(CCC)C(=O)[O-]
DelComponent,Modify the molecule amine by removing a [NH3+]CCNS(=O)(=O)NCCC([NH3+])C(=O)[O-].,[NH3+]CCS(=O)(=O)NCCC([NH3+])C(=O)[O-]
LogP,Optimize the molecule NC(=O)CNS(=O)(=O)C1CC1 to have a higher LogP value.,NS(=O)(=O)C1CC1
MR,Modify the molecule CC(C)C[NH2+]CC1CC[NH+](C2CCCCCCCCCCC2)C1 to have a higher MR value.,CC(C)C[NH2+]CC1CC[NH+](C2CCCCCCC(CC=O)CCCC2)C1
QED,Modify the molecule Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]C3CCOC(C)(C)C3)cc2c1 to have a higher QED value.,Cc1ccc2nc(F)c(C[NH2+]C3CCOC(C)(C)C3)cc2c1
AtomNum,"The molecule has 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",COc1cc(OC)c2c(Cl)c(C(C)C)c(C)nc2c1
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 5 rotatable bonds, and 23 aromatic bonds.",CC1=C(c2nc(-c3cccc(C)c3)no2)C(c2ccc(F)cc2)NC(=O)N1Cc1ccccc1Cl
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 amine group, 1 halo group, and 1 sulfone group.",COc1ccc(F)cc1S(=O)(=O)NCCC(O)c1cccc2ccccc12
AddComponent,Modify the molecule CCN(CCNC(NCc1cccc(C(=O)NC)c1)=[NH+]C)c1cccc(C)c1 by adding a amine.,CNC(=O)c1cccc(CNC(NCCN(CCN)c2cccc(C)c2)=[NH+]C)c1
SubComponent,Substitute a halo in the molecule OC(CN(CC(F)(F)F)C1CC1)c1cccc(F)c1F with a hydroxyl.,OC(CN(CC(O)(F)F)C1CC1)c1cccc(F)c1F
DelComponent,Remove a O=C(NCc1ccc(F)cc1)c1ccc2c(c1)NC(=O)C1CCCN21 from the molecule halo.,O=C(NCc1ccccc1)c1ccc2c(c1)NC(=O)C1CCCN21
LogP,Modify the molecule CCN(CC)C(=O)C(C)(C)C(=O)NCCCc1ccccc1 to decrease its LogP value.,CCCNC(=O)C(C)(C)C(=O)N(CC)CC
MR,Optimize the molecule N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCC(c1cccs1)[NH+]1CCCC1 to have a lower MR value.,Clc1ccccc1COc1ccc(-c2ncc(NCC(c3cccs3)[NH+]3CCCC3)o2)cc1
QED,Modify the molecule CCC(C)(CC(C)(CC(C)(C)C(=O)OC1C2CC3CC1CC(O)(C3)C2)C(=O)OC1(CC)C2CC3CC(C2)CC1C3)C(=O)OC1C2CC3C(=O)OC1C3C2 to increase its QED value.,CCC(C)(CC(C)(CC(C)(C)C(=O)OC1C2CC3CC1CC(O)(C3)C2)C(=O)OC1(CC)C2CC3CC(C2)C(O)C1C3)C(=O)OC1C2CC3C(=O)OC1C3C2
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",Cc1nnsc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
BondNum,"The molecule consists of 15 single bonds, 9 rotatable bonds, and 23 aromatic bonds.",Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[NH+](CC(O)c1ccccc1)C(C)C
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,Cc1ccc(C(C)C)cc1C([NH3+])(C(=O)[O-])c1ccco1
AddComponent,Please add a benzene ring to the molecule O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1CCN(C(=O)C=Cc2ccccc2)CC1.,O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1CCN(C(=O)C=Cc2ccccc2)CC1c1ccccc1
SubComponent,Please substitute a halo in the molecule O=C([O-])c1cccc(Nc2ccnc(Nc3ccc(Cl)cc3Cl)n2)c1 with a aldehyde.,CC(=O)c1ccc(Nc2nccc(Nc3cccc(C(=O)[O-])c3)n2)c(Cl)c1
DelComponent,Modify the molecule CCOc1ccc(C2=CC(N3CC[NH2+]CC3)CC2)cc1 by removing a benzene ring.,CCOC1=CC(N2CC[NH2+]CC2)CC1
LogP,Please modify the molecule CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(N(CC(N)=O)C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(CC(=O)[O-])NC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)CC3 to increase its LogP value.,CCC1C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(N(CC(N)=O)C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(CC(=O)[O-])NC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)CC3
MR,Please optimize the molecule Cc1ccc(-c2cc(-c3cccs3)nc(N)n2)o1 to have a lower MR value.,Cc1ccc(-c2cc(-c3cccs3)ncn2)o1
QED,Modify the molecule CCCN(C(C)C)S(=O)(=O)c1cc(CO)ccc1OC to decrease its QED value.,CCCN(C(C)C)S(=O)(=O)c1cc(C)ccc1OC
AtomNum,"The molecule consists of 15 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCOC(=O)C[NH+](CC)C1CCOC2(CCOCC2)C1
BondNum,"The molecule contains 13 single bonds, 1 double bond, 8 rotatable bonds, and 6 aromatic bonds.",COc1ccccc1OCC(=O)NC(CO)(CO)CO
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 3 amine groups.",CC1CCCC[NH+]1Cc1ccccc1C[NH+]=C(N)NCCc1ccccn1
AddComponent,Please add a benzene ring to the molecule C[NH2+]C(C)CCC1=CCC=CCC1.,C[NH2+]C(C)CCC1=CCC=C(c2ccccc2)CC1
SubComponent,Please substitute a CCCCCCCCCCCC(OCc1ccccc1)C(O)CCCCC(=O)[O-] in the molecule hydroxyl with a halo.,CCCCCCCCCCCC(OCc1ccccc1)C(Br)CCCCC(=O)[O-]
DelComponent,Modify the molecule CC1CC(=O)NN=C1c1ccc2c(c1)C(C)(c1ccccc1)C(c1ccncc1)=N2 by removing a amide.,CC1N=C1c1ccc2c(c1)C(C)(c1ccccc1)C(c1ccncc1)=N2
LogP,Optimize the molecule CC(NC(=O)C1Oc2ccccc2OC1C)c1ccc(Cl)c(Cl)c1 to have a lower LogP value.,CC(NC(=O)C1Oc2ccccc2OC1C)c1ccc(O)c(Cl)c1
MR,Modify the molecule COc1ccc(S(=O)(=O)Nc2cc(C(C)O)ccc2Cl)cc1OC to have a higher MR value.,COc1ccc(S(=O)(=O)Nc2cc(C(C)C#N)ccc2Cl)cc1OC
QED,Modify the molecule CC(C)=CCCC(C)=CCCC(C)=CCOc1ccc(C)cc1 to have a higher QED value.,COCC=C(C)CCC=C(C)CCC=C(C)C
AtomNum,"The molecule consists of 23 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 iodine atom.",O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2ccc(I)cc2)cc1
BondNum,"The molecule has 16 single bonds, 1 double bond, and 5 rotatable bonds.",CC1CCCC(C=O)(C[NH+](C)C(C)(C)CO)C1
FunctionalGroup,"The molecule has 1 ester group, 1 nitro group, and 3 halo groups.",COC(=O)c1c([N+](=O)[O-])ncc(Br)c1C(F)F
AddComponent,Modify the molecule CCc1cccc2c1N(C)CCCN2CC(=O)[O-] by adding a benzene ring.,CCc1cccc2c1N(C)CC(c1ccccc1)CN2CC(=O)[O-]
SubComponent,Modify the molecule nitrile by substituting a CC(C)(C)OC(=O)CCC1Cc2cc(C#N)ccc2N1C(=O)OC(C)(C)C with a aldehyde.,CC(=O)c1ccc2c(c1)CC(CCC(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C
DelComponent,Modify the molecule hydroxyl by removing a CCn1c(SCC(=O)c2ccc(O)cc2)nnc1N1CCOCC1.,CCn1c(SCC(=O)c2ccccc2)nnc1N1CCOCC1
LogP,Modify the molecule COc1[nH+]ccc(N(C)C)c1NCC1CCC[NH+](C)C1 to have a lower LogP value.,COc1[nH+]ccc(N(C)C)c1NCC1CCC[NH+](C)C1C(=O)O
MR,Optimize the molecule N#Cc1cccc(-c2ncn(C3CC3)c2N)c1 to have a lower MR value.,Nc1c(-c2cccc(F)c2)ncn1C1CC1
QED,Optimize the molecule CCOc1nc2cccc(C(=O)NCCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 to have a lower QED value.,CCOc1nc2cccc(C(=O)NCCc3ccc(C(=O)O)cc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1
AtomNum,"The molecule is composed of 15 carbon atoms, 2 oxygen atoms, and 2 chlorine atoms.",COc1ccc(C(=O)c2cccc(Cl)c2Cl)c(C)c1
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",Cc1nnc(N2CC(C)CC(C)C2)c(C(N)=[NH2+])c1C
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, and 2 ester groups.",CCC(C)(CC(C)(C)C(=O)OCCO)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C
AddComponent,Modify the molecule CC1C[NH2+]CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 by adding a benzene ring.,CC1C[NH2+]CC(c2ccccc2)N1C(=O)c1cc(Br)c2c(c1)OCCO2
SubComponent,Please substitute a CC[NH+](CCO)C(C)C(=O)N(C)Cc1cccc(F)c1 in the molecule hydroxyl with a thiol.,CC[NH+](CCS)C(C)C(=O)N(C)Cc1cccc(F)c1
DelComponent,Remove a hydroxyl from the molecule CCCOc1ccc(C=NN(C)c2ccccc2)c(O)c1.,CCCOc1ccc(C=NN(C)c2ccccc2)cc1
LogP,Please modify the molecule COc1ccccc1Oc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)cc1 to decrease its LogP value.,COOc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)cc1
MR,Optimize the molecule O=C(Nc1cccc(Cl)c1)NC(c1ccccc1)c1nnc(-c2ccccc2)o1 to have a higher MR value.,CC(=O)c1cccc(NC(=O)NC(c2ccccc2)c2nnc(-c3ccccc3)o2)c1
QED,Please optimize the molecule CCC[NH+](CCC)CCCC[NH2+]Cc1ccc(CN=Cc2ccccc2)cc1 to have a lower QED value.,CCC[NH+](CCCC[NH2+]Cc1ccc(CN=Cc2ccccc2)cc1)C(CC)c1ccccc1
AtomNum,"The molecule is composed of 9 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",NC(=[NH2+])CSc1nc2ccccc2[nH]1
BondNum,"There is a molecule consisting of 13 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",CCC[NH2+]Cc1ccc(N(CCC)C2CC2)nn1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, 1 amide group, and 1 amine group.",CC1CCC(n2c3ccccc3c3cnc(Nc4cc5c(cn4)CN(C(=O)CO)CC5)nc32)CC1
AddComponent,Add a benzene ring to the molecule Cc1c(OCCC[NH+]2CCC(O)C2)cccc1-c1cccc(COc2cc(OCC(N)=O)c(C[NH2+]C(CO)CO)cc2Cl)c1Cl.,Cc1c(OCCC[NH+]2CCC(O)C2c2ccccc2)cccc1-c1cccc(COc2cc(OCC(N)=O)c(C[NH2+]C(CO)CO)cc2Cl)c1Cl
SubComponent,Substitute a halo in the molecule CC(C)(C)C(=O)N1CCC(Oc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2Cl)CC1 with a hydroxyl.,CC(C)(C)C(=O)N1CCC(Oc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2O)CC1
DelComponent,Modify the molecule CCOc1cc(C=NNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccccc1 by removing a benzene ring.,CCOc1cc(C=NNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OC
LogP,Modify the molecule O=c1sc2cc(CCCF)ccc2n1C=C[NH+]1CCCCCC1 to increase its LogP value.,CCCc1ccc2c(c1)sc(=O)n2C=C[NH+]1CCCCCC1
MR,Modify the molecule Oc1cc(N=Nc2ccccc2)c2ccccc2c1O to have a higher MR value.,Oc1c(S)cc(N=Nc2ccccc2)c2ccccc12
QED,Please optimize the molecule C[NH+]=C(NCc1nncn1-c1ccccc1)N1CCC2(CCCC2)C1 to have a higher QED value.,CC(NCc1nncn1-c1ccccc1)N1CCC2(CCCC2)C1
AtomNum,"There is a molecule with 16 carbon atoms, and 2 oxygen atoms.",CCCCCCOc1cccc(C=CC(C)=O)c1
BondNum,"The molecule has 15 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",C[NH2+]C(CC[NH+]1CC2CCC(C1)O2)c1ccccc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 sulfone group.",CN(C)S(=O)(=O)c1cccc(C[NH+]2CCCC(O)C2)c1
AddComponent,Please add a carboxyl to the molecule Cc1ccc(N(C)C(=O)c2ccn3ncc(-c4ccc(CF)cc4)c3c2)nc1.,Cc1ccc(N(C)C(=O)c2cc3c(-c4ccc(CF)cc4)cnn3cc2C(=O)O)nc1
SubComponent,Substitute a COc1ccc(N=C2CC(C)(C)CC3=C2C(c2ccc(F)cc2)c2cc(OC)ccc2O3)cc1 in the molecule halo with a nitro.,COc1ccc(N=C2CC(C)(C)CC3=C2C(c2ccc(NO)cc2)c2cc(OC)ccc2O3)cc1
DelComponent,Modify the molecule O=C1COC(C(=O)N2CC[NH+](C3CCC3)CC2)C(c2nccn2-c2cccc(F)c2)N1 by removing a halo.,O=C1COC(C(=O)N2CC[NH+](C3CCC3)CC2)C(c2nccn2-c2ccccc2)N1
LogP,Please optimize the molecule CCCCCOc1ccc(C[NH+]2CCC(O)C2)cc1 to have a higher LogP value.,CCCCCOc1ccc(C[NH+]2CCC(O)C2)cc1-c1ccccc1
MR,Modify the molecule COc1ccc(OCCCC(=O)NCCN2C(=O)CSC2=S)cc1 to decrease its MR value.,COOCCCC(=O)NCCN1C(=O)CSC1=S
QED,Optimize the molecule [NH3+]Cc1cccc(C[NH2+]Cc2ccco2)c1 to have a lower QED value.,[NH3+]CC[NH2+]Cc1ccco1
AtomNum,"There is a molecule composed of 17 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC1NNC(c2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)o2)C1C
BondNum,"There is a molecule composed of 16 single bonds, 1 double bond, 9 rotatable bonds, and 18 aromatic bonds.",CCSC(=[NH+]c1cc(OC)ccc1Cl)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, and 2 hydroxyl groups.",C=CN=C(CCC(CCC(=NC=C)C(=O)[O-])C(C)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1)C(=O)[O-]
AddComponent,Add a carboxyl to the molecule NC(=S)c1ccnc(OC2CCCCCC2)c1.,NC(=S)c1ccnc(OC2CCCCC(C(=O)O)C2)c1
SubComponent,Substitute a C[NH+](CC(O)COCc1ccc(Cl)cc1)C1CCS(=O)CC1 in the molecule halo with a thiol.,C[NH+](CC(O)COCc1ccc(S)cc1)C1CCS(=O)CC1
DelComponent,Please remove a halo from the molecule O=C1Cc2cnc(CCl)cc2N1.,Cc1cc2c(cn1)CC(=O)N2
LogP,Please optimize the molecule CCS(=O)(=O)N1CC[NH2+]CC1c1ccccc1 to have a lower LogP value.,CCS(=O)(=O)N1CC[NH2+]CC1
MR,Modify the molecule CCc1nnc(COc2cc(OC)ccc2C(C)=O)o1 to have a higher MR value.,COc1ccc(C(C)=O)c(OCc2nnc(CCO)o2)c1
QED,Modify the molecule Nc1ccc(Cc2cc(Cc3ccc(N)cc3)c(O)cc2O)cc1 to have a lower QED value.,CC(=O)c1cc(O)c(Cc2ccc(N)cc2)cc1Cc1ccc(N)cc1
AtomNum,"There is a molecule with 27 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",COc1ccc2c(c1)CCC1C2CCC2(C)C1CC(CBr)N1OC(=O)N(c3ccccc3)C12
BondNum,"There is a molecule composed of 9 single bonds, 7 rotatable bonds, and 16 aromatic bonds.",CCCCn1c(COc2ccc(OC)cc2)nc2ccccc21
FunctionalGroup,"There is a molecule with 3 amide groups, 2 thioether groups, and 1 sulfide group.",CSCCC(NC(=O)C(CCC(=O)[O-])NC(=O)C([NH3+])C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]
AddComponent,Please add a carboxyl to the molecule CC(C)(C)[Si](C)(C)OCC1C[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(=O)nc(NC(=O)COc4ccccc4)[nH]c32)O1.,CC(C)(C)[Si](C)(C)OC(C(=O)O)C1C[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(=O)nc(NC(=O)COc4ccccc4)[nH]c32)O1
SubComponent,Substitute a O=C1CCCCC1C1CCCCCN1C(=O)c1ccc(OCC(F)(F)F)cn1 in the molecule halo with a aldehyde.,CC(=O)C(F)(F)COc1ccc(C(=O)N2CCCCCC2C2CCCCC2=O)nc1
DelComponent,Remove a COC(=O)c1ccc(CNC(=O)COC(=O)CCSc2ccc(F)cc2)cc1 from the molecule halo.,COC(=O)c1ccc(CNC(=O)COC(=O)CCSc2ccccc2)cc1
LogP,Modify the molecule CC(C)c1cc(C(C)C)c(C(C)OC2CC(=O)NC2CC2CO2)c(C(C)C)c1 to decrease its LogP value.,CC(C)C(C)(C)C(C)(OC1CC(=O)NC1CC1CO1)C(C)C
MR,Please optimize the molecule COc1ccc(-n2nnnc2SCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 to have a lower MR value.,COn1nnnc1SCC(=O)N(CCc1ccccc1)Cc1ccccc1
QED,Optimize the molecule COc1ccccc1N1CCN(C(=O)C2CCOC(C)(C)C2)CC1(C)C to have a lower QED value.,CON1CCN(C(=O)C2CCOC(C)(C)C2)CC1(C)C
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 3 fluorine atoms.",CC1Cc2cc(CCN3CC[NH2+]CC3)ccc2N1C(=O)C(F)(F)F
BondNum,"The molecule contains 22 single bonds, 1 double bond, and 4 rotatable bonds.",CC(C(=O)NCC(F)(F)F)[NH+]1CCCN(C2CCCC2)CC1
FunctionalGroup,"The molecule contains 1 amide group, and 3 halo groups.",O=C(NCc1cccnc1)C1CN(c2nccc(C(F)(F)F)n2)CCO1
AddComponent,Please add a benzene ring to the molecule CC1=CC(=C(c2cccs2)c2ccc(C(=C3C=C(c4ccccc4)C(=O)C(c4ccccc4)=C3)c3cccs3)s2)C=C(C)C1=O.,CC1=CC(=C(c2cccs2)c2ccc(C(=C3C=C(c4ccccc4)C(=O)C(c4cccc(-c5ccccc5)c4)=C3)c3cccs3)s2)C=C(C)C1=O
SubComponent,Modify the molecule nitro by substituting a CC(=NNCc1ccccc1)c1ccc([N+](=O)[O-])cc1 with a thiol.,CC(=NNCc1ccccc1)c1ccc([SH]=O)cc1
DelComponent,Modify the molecule Cc1ccc(NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1 by removing a benzene ring.,CNC(=O)NCC(=O)N1CC[NH2+]CC1
LogP,Please modify the molecule COc1cc(-n2ccc(OCc3ccc(Cl)cc3)cc2=O)ccc1OCC(O)C(F)(F)F to decrease its LogP value.,CC(=O)c1ccc(COc2ccn(-c3ccc(OCC(O)C(F)(F)F)c(OC)c3)c(=O)c2)cc1
MR,Optimize the molecule CCN(CC)C(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3c(C)cccc3C(=O)Nc3ccc(F)cc3C)CC2)c1C to have a higher MR value.,CCN(CC)C(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3c(C)cccc3C(=O)Nc3ccccc3C)CC2)c1C
QED,Modify the molecule CCn1c2ccccc2c2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(F)cc3F)ccc21 to increase its QED value.,CCn1c2ccccc2c2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(F)cc3)ccc21
AtomNum,"There is a molecule with 12 carbon atoms, and 2 oxygen atoms.",CC1(C)CC1(C(=O)[O-])C1CCCCC1
BondNum,"There is a molecule composed of 9 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",C=CC(=O)OCCC(C)(Sc1ccccc1)c1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 halo group.",O=C([O-])C1CCCCCN1C(=O)Nc1ccccc1Br
AddComponent,Please add a hydroxyl to the molecule Cc1cc(C[NH2+]C(C)C)cc(N(CC(C)C)C2CC2)n1.,Cc1cc(C[NH2+]C(C)(C)O)cc(N(CC(C)C)C2CC2)n1
SubComponent,Please substitute a O=C(c1cccc(-c2cc(O)cc(F)c2)c1)N1CCCC1 in the molecule hydroxyl with a aldehyde.,CC(=O)c1cc(F)cc(-c2cccc(C(=O)N3CCCC3)c2)c1
DelComponent,Modify the molecule nitrile by removing a CN1CCC[NH+](C2CCCC2)CC1CC#N.,CC1C[NH+](C2CCCC2)CCCN1C
LogP,Modify the molecule CCc1ccc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)cc1 to have a lower LogP value.,CCc1ccc(C(=O)Nc2cnn(CF)c2)cc1
MR,Please modify the molecule O=C(COc1ccc2ccc(=O)oc2c1)N(CCc1cccs1)Cc1cccs1 to increase its MR value.,O=C(COc1ccc2ccc(=O)oc2c1)N(CCc1cccs1)Cc1ccc(O)s1
QED,Modify the molecule CCOC(=O)Cn1nc(C#N)c2c1CC1CC21 to have a lower QED value.,CCOC(=O)Cn1ncc2c1CC1CC21
AtomNum,"The molecule is composed of 44 carbon atoms, 11 oxygen atoms, 11 nitrogen atoms, and 1 sulfur atom.",CC(C)CC([NH3+])C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(CC(C)C)C(=O)[O-]
BondNum,"The molecule consists of 8 single bonds, 1 double bond, 1 triple bond, 2 rotatable bonds, and 11 aromatic bonds.",O=C(Nc1ccc(Cl)cc1C#CCO)c1csc(Br)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, 1 halo group, 1 thioether group, and 1 sulfide group.",CCCOC(=O)C(C)Sc1ccc(Cl)cc1
AddComponent,Please add a aldehyde to the molecule Cn1cncc1C[NH2+]C1CCC2CC21.,Cn1cncc1C[NH2+]C1CC(CC=O)C2CC12
SubComponent,Modify the molecule halo by substituting a FC(F)(F)c1cccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCC2)c1 with a hydroxyl.,OC(F)(F)c1cccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCC2)c1
DelComponent,Modify the molecule halo by removing a NC(=O)c1cc2c(Oc3ccc(Cl)cc3)nncc2s1.,NC(=O)c1cc2c(Oc3ccccc3)nncc2s1
LogP,Please optimize the molecule CC(=O)[NH+]=C1NN(C(C)=O)C(c2ccc(OCCOc3ccccc3)c(Cl)c2)S1 to have a lower LogP value.,CC(=O)[NH+]=C1NN(C(C)=O)C(c2ccc(OCCOc3ccccc3)cc2)S1
MR,Modify the molecule COc1ccc(C)cc1C([NH3+])COc1cccc(Cl)c1 to increase its MR value.,COc1ccc(C)cc1C([NH3+])COc1cccc(Cl)c1O
QED,Please optimize the molecule C=C(CBr)C1CCC2C3CC(=O)C4CC(C)(O)CCC4C3CCC12C to have a lower QED value.,C=C(CBr)C1CCC2C3CC(=O)C4CC(C)(O)CCC4C3CCC12Cc1ccccc1
AtomNum,"There is a molecule with 12 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CCCN1CCN(CC(C)(C)C(=O)NN)C(=O)C1=O
BondNum,"There is a molecule composed of 14 single bonds, 3 double bonds, 5 rotatable bonds, and 21 aromatic bonds.",COc1ccc2oc(-c3cc(C(=O)[O-])c4cc(S(=O)(=O)N5CCCCCC5)ccc4n3)cc2c1
FunctionalGroup,"The molecule has 1 amide group, and 1 halo group.",CCC(C)(CCCl)NC(=O)CCC(C)C
AddComponent,Please add a hydroxyl to the molecule COc1ccc(-c2csc(CCC(=O)Nc3ccc(N(C)C)cc3)n2)cc1.,COc1ccc(-c2csc(CCC(=O)Nc3ccc(N(C)CO)cc3)n2)cc1
SubComponent,Please substitute a CC(=O)Nc1cccc(Nc2nc(C)cc(Nc3ccc(F)c(F)c3F)n2)c1 in the molecule halo with a thiol.,CC(=O)Nc1cccc(Nc2nc(C)cc(Nc3ccc(S)c(F)c3F)n2)c1
DelComponent,Remove a O=[N+]([O-])c1cnc2ccc(NC(C3CC3)C3CC3)nn12 from the molecule amine.,O=[N+]([O-])c1cnc2ccc(C(C3CC3)C3CC3)nn12
LogP,Modify the molecule CC1COCC2COc3c(nc(C(=O)N4CCCC4)nc3C(C)(C)S(C)(=O)=O)N12 to decrease its LogP value.,CC1COCC2COc3c(C(C)(C)S(C)(=O)=O)nC4CCCn4c3N12
MR,Modify the molecule Cc1ccc2cc3cc(Cl)ccc3cc2c1 to decrease its MR value.,Cc1ccc2cc3ccccc3cc2c1
QED,Modify the molecule COCc1nc2ncc3c(=O)n(NC(C)=O)ccc3n2n1 to decrease its QED value.,COCc1nc2ncc3c(=O)n(NC(=O)CO)ccc3n2n1
AtomNum,"The molecule has 9 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",Cc1nc(N)sc1S(=O)(=O)NCC1(C)CC1
BondNum,"The molecule consists of 12 single bonds, 6 rotatable bonds, and 5 aromatic bonds.",CC[NH+](CC(C)(C)C[NH3+])C(C)c1ccc(C)o1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, and 2 sulfone groups.",CS(=O)(=O)N1CCN(S(=O)(=O)NC2(c3ccccc3)CCC2)CC1
AddComponent,Modify the molecule CS(=O)(=O)c1cccc(C(=O)OCCc2cc3cc(Br)ccc3o2)c1 by adding a hydroxyl.,CS(=O)(=O)c1cccc(C(=O)OCCc2cc3cc(Br)ccc3o2)c1O
SubComponent,Substitute a CCc1ccc(C[NH2+]CCC(O)(c2ccc(C)o2)C(F)(F)F)cc1 in the molecule halo with a nitro.,CCc1ccc(C[NH2+]CCC(O)(c2ccc(C)o2)C(F)(F)NO)cc1
DelComponent,Please remove a halo from the molecule CC(C)C1CCCC([NH2+]Cc2ccc(F)cc2F)CC1.,CC(C)C1CCCC([NH2+]Cc2ccc(F)cc2)CC1
LogP,Modify the molecule Cc1ccc(C(=S)c2cc(C)cc(O)c2)cc1 to decrease its LogP value.,CC(=S)c1cc(C)cc(O)c1
MR,Please modify the molecule CC(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(C(N)=O)C(C)OP(=O)([O-])OCCCCCCCCCCc1ccccc1 to increase its MR value.,CC(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc(N)[nH]1)C(=O)NC(CO)C(=O)NC(C(N)=O)C(C)OP(=O)([O-])OCCCCCCCCCCc1ccccc1
QED,Please modify the molecule Brc1cccc(Nc2cc3[nH]cncc3c3ncnc23)c1 to increase its QED value.,N#Cc1cccc(Nc2cc3[nH]cncc3c3ncnc23)c1
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 nitrogen atoms, and 1 fluorine atom.",Nc1ccn(CCCn2ccc3c(F)cccc32)n1
BondNum,"Please generate a molecule consisting 20 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C(CN1CCCCCCCC1=O)N1CCC(O)(c2ccccc2)CC1
FunctionalGroup,There is a molecule with and 1 amine group.,Cc1cc(Nc2nn(C(C)C)c(=O)c3cc(N(C)C(=O)NC(C)C)ccc23)n[nH]1
AddComponent,Please add a carboxyl to the molecule CCN(CCC(=O)OC)c1nccc(C)c1[N+](=O)[O-].,CCN(CCC(=O)OCC(=O)O)c1nccc(C)c1[N+](=O)[O-]
SubComponent,Substitute a hydroxyl in the molecule COCC(O)CN(C)C(=O)Nc1ccccc1-n1nc(C)cc1C with a nitrile.,COCC(C#N)CN(C)C(=O)Nc1ccccc1-n1nc(C)cc1C
DelComponent,Modify the molecule benzene ring by removing a CCC(=O)N(C(C)c1ccccc1)C(CCc1ccccc1)C1CCC[NH2+]C1.,CCC(=O)N(C(C)c1ccccc1)C(CC)C1CCC[NH2+]C1
LogP,Optimize the molecule Cc1cc(C(C)(O)C#Cc2ccc3[nH]c(C)c(-c4ccncc4)c3c2)no1 to have a higher LogP value.,Cc1cc(C(C)C#Cc2ccc3[nH]c(C)c(-c4ccncc4)c3c2)no1
MR,Please modify the molecule O=C([O-])C1CSCCN1C(=O)Cc1c(F)cccc1Cl to increase its MR value.,O=C([O-])C1CSC(c2ccccc2)CN1C(=O)Cc1c(F)cccc1Cl
QED,Please optimize the molecule CN(C)c1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=S)Nc2ccccc2)cc1 to have a lower QED value.,CN(CO)c1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=S)Nc2ccccc2)cc1
AtomNum,"The molecule is composed of 16 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 1 sulfur atom.",Cc1ccc2oc(SC(C)c3nnnn3C3CCCCC3)nc2n1
BondNum,"The molecule is composed of 11 single bonds, 2 double bonds, 4 rotatable bonds, and 21 aromatic bonds.",O=C(Cn1cnc2ccccc2c1=O)N1CCC(Cn2cnc3ccccc32)CC1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 ester group, 1 amide group, 1 sulfide group, and 1 sulfone group.",CCCN(c1ccc2sc(C(=O)Nc3ccccc3C(=O)OC)cc2c1)S(=O)(=O)c1ccc(C)cc1
AddComponent,Add a hydroxyl to the molecule CCn1cc(C2CCC3(CC2)OCCO3)c2ccccc21.,CCn1cc(C2CCC3(CC2)OCCO3)c2c(O)cccc21
SubComponent,Modify the molecule halo by substituting a CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)cc1OC with a aldehyde.,CC(=O)c1cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)cc(OC)c1OCC
DelComponent,Modify the molecule amide by removing a COc1ccccc1OCC(=O)Nc1ccc(Nc2cccc(F)c2)cc1.,COc1ccccc1Oc1ccc(Nc2cccc(F)c2)cc1
LogP,Please modify the molecule Cc1cccc(C2CCN(C(=O)OC(C)(C)C)C(C)C2CO)c1 to decrease its LogP value.,Cc1cccc(C2CCN(C(=O)OC(C)(C)C)C(C)C2CO)c1O
MR,Please optimize the molecule NC(=O)C(CO)NC(=O)CC[NH3+] to have a higher MR value.,NC(=O)C(CNO)NC(=O)CC[NH3+]
QED,Please modify the molecule C=C1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1(C#N)CC to increase its QED value.,C=C1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1(C#N)CCC(=O)O
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)c1ccc(C)c(C)c1)C3
BondNum,"There is a molecule with 15 single bonds, 3 double bonds, 1 triple bond, 6 rotatable bonds, and 12 aromatic bonds.",CSc1ccc(C2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, and 3 halo groups.",CN1CC[NH+](CCNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1
AddComponent,Add a hydroxyl to the molecule Brc1ccccc1OCCCCC[NH+]1CCOCC1.,Oc1ccc(Br)c(OCCCCC[NH+]2CCOCC2)c1
SubComponent,Please substitute a nitrile in the molecule Cc1cc(C)cc(NCc2ccc(F)c(C#N)c2)c1 with a thiol.,Cc1cc(C)cc(NCc2ccc(F)c(S)c2)c1
DelComponent,Please remove a halo from the molecule C=CC1CC1(NC(=O)C1CC2CN1C(=O)C(CC(F)(F)F)NC(=O)OCCCC=Cc1cccc3c1C[NH2+]C(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1.,C=CC1CC1(NC(=O)C1CC2CN1C(=O)C(CC(F)F)NC(=O)OCCCC=Cc1cccc3c1C[NH2+]C(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
LogP,Modify the molecule CC(C)CC1COc2ccccc2C(=O)NC(C(=O)NC(C)COc2ccccc2Oc2cccc(Cl)c2)CC(=O)N(C)C(CC(C)C)C(=O)N1C to decrease its LogP value.,CC(C)CC1COc2ccccc2C(=O)NC(C(=O)NC(C)COc2ccccc2Oc2cccc(O)c2)CC(=O)N(C)C(CC(C)C)C(=O)N1C
MR,Optimize the molecule CCOC(=O)C([N+]#N)=C(O)CCc1ccccc1 to have a lower MR value.,CCOC(=O)C(=CCCc1ccccc1)[N+]#N
QED,Modify the molecule CC(C)c1nc2ccc(C(C[NH3+])C3CC3)cc2[nH]1 to have a lower QED value.,CC(C)c1nc2ccc(C(C[NH3+])C3(c4ccccc4)CC3)cc2[nH]1
AtomNum,"There is a molecule consisting of 11 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC1(C(=O)[O-])COCC1NC(=O)C1CCSC1
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCCOc1cc(NC2CCS(=O)CC2)cc([N+](=O)[O-])c1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 3 halo groups, 2 thioether groups, and 1 sulfide group.",O=P([O-])([O-])C(F)(F)c1ccc(CSC(Cc2ccccc2)c2ccccc2)cc1Br
AddComponent,Add a aldehyde to the molecule CCC(Nc1nc2cc(C)ccn2n1)c1ccccc1.,CCC(Nc1nc2cc(C)ccn2n1)c1ccccc1CC=O
SubComponent,Substitute a CN(C(=O)OC(C)(C)C)C1=[NH+]C2CC(OCc3ccccc3)C(C(O)C(F)(F)F)OC2S1 in the molecule halo with a nitro.,CN(C(=O)OC(C)(C)C)C1=[NH+]C2CC(OCc3ccccc3)C(C(O)C(F)(F)NO)OC2S1
DelComponent,Remove a hydroxyl from the molecule CC1CCC(CO)(C[NH+]2CCN(C)C(C)C2)CC1.,CC1CCC(C)(C[NH+]2CCN(C)C(C)C2)CC1
LogP,Please modify the molecule CN1CCc2c([nH]c3cncnc23)C1C[NH3+] to decrease its LogP value.,CN1CCc2c([nH]c3c(O)ncnc23)C1C[NH3+]
MR,Optimize the molecule Cn1ccnc1C(NN)c1c(Cl)cnn1C to have a lower MR value.,Cn1ccnc1C(NN)c1ccnn1C
QED,Modify the molecule COC(=O)C1CN(C(=O)c2cnsn2)CC1C to have a lower QED value.,COC(=O)C1C(C)CC1n1snc-1
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",CCn1cc(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)cn1
BondNum,"There is a molecule composed of 12 single bonds, 1 double bond, and 1 rotatable bond.",CCC1(C)NC(=S)N(C(C)(C)C)[NH2+]1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 hydroxyl group.",CC([NH2+]Cc1ccccc1O)c1ccn(C)n1
AddComponent,Please add a hydroxyl to the molecule CC1CC2C3CCC4=CC(=O)CCC4(C)C3=CCC2(C)C1C(=O)C[NH+]1CCN(C)CC1.,CC1C(O)C2C3CCC4=CC(=O)CCC4(C)C3=CCC2(C)C1C(=O)C[NH+]1CCN(C)CC1
SubComponent,Modify the molecule CC(C)C(NC(=O)c1cccs1)C(=O)NCCc1[nH+]ccn1C(F)F by substituting a halo with a nitrile.,CC(C)C(NC(=O)c1cccs1)C(=O)NCCc1[nH+]ccn1C(F)C#N
DelComponent,Please remove a amide from the molecule Cc1ncsc1CCC(=O)N1CC(=O)NC(Cc2ccccc2)C(=O)N(C)C(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(c2ccccc2)C1.,Cc1ncsc1CC1CC(c2ccccc2)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)N(C)C(=O)C(Cc2ccccc2)NC1=O
LogP,Modify the molecule CC12NCCN3CCN(CC[NH2+]1)C32C to increase its LogP value.,CC12CCN3CCN(CC[NH2+]1)C32C
MR,Modify the molecule Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccccc4)c3)CC2)cccc1C(=O)N(C)C to decrease its MR value.,Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccc(O)c(C(=O)Nc4ccccc4)c3)CC2)cccc1C(=O)N(C)C
QED,Modify the molecule CCCc1c(Cl)[nH]c(=O)n(CCCn2ccnn2)c1=O to decrease its QED value.,CCCc1c(O)[nH]c(=O)n(CCCn2ccnn2)c1=O
AtomNum,"Please generate a molecule with 23 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CN(CC1(O)CCCN(c2cc[nH+]c3ccncc23)C1)C(=O)c1ccc(C[NH3+])cc1
BondNum,"There is a molecule consisting of 9 single bonds, 2 double bonds, 1 rotatable bond, and 5 aromatic bonds.",Cc1oc(Br)nc1C1CCCCS1(=O)=O
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1cc(-c3ccccc3O)n[nH]1)C2
AddComponent,Modify the molecule CC(=O)NCCN(C)S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)n2)cc1 by adding a carboxyl.,CC(=O)NCCN(C)S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(=O)CC(=O)O)CC4)cc3)n2)cc1
SubComponent,Please substitute a hydroxyl in the molecule CCC1(O)CC2C[NH+](CCc3c([nH]c4ccccc34)C(C(=O)OC)(C3C=C4C(=CC3OC)[NH+](C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)CCC[NH+]6CCC43C65)C2)C1 with a nitro.,CCC1(NO)CC2C[NH+](CCc3c([nH]c4ccccc34)C(C(=O)OC)(C3C=C4C(=CC3OC)[NH+](C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)CCC[NH+]6CCC43C65)C2)C1
DelComponent,Modify the molecule CCOC(=O)CCC1(O)C2CC2C2C3C4CC4C4(O)CC(O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C by removing a hydroxyl.,CCOC(=O)CCC1C2CC2C2C3C4CC4C4(O)CC(O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC12C
LogP,Modify the molecule Cc1ccc(C(=O)NC2CCCCC2C)cc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3cc(F)ccc3F)ccc2C)CC1 to have a lower LogP value.,Cc1ccc(C(=O)NC2CCCCC2CO)cc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3cc(F)ccc3F)ccc2C)CC1
MR,Please optimize the molecule Cc1csc(=O)n1CC(=O)OCc1ccccc1C#N to have a lower MR value.,Cc1csc(=O)n1CC(=O)OCc1ccccc1
QED,Modify the molecule COCCC1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)N=C1c1ccc(Cl)cc1 to decrease its QED value.,COCCC1CN(C(=O)Nc2ccc([N+](=O)[O-])c(-c3ccccc3)c2)N=C1c1ccc(Cl)cc1
AtomNum,"The molecule has 20 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",C=CCn1c(=O)c2ccccc2n2c(SC(C)C(=O)NCCC(C)C)nnc12
BondNum,"The molecule has 13 single bonds, 2 double bonds, 5 rotatable bonds, and 21 aromatic bonds.",COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cnn(C)c4C(N)=O)cc3n2)cc1
FunctionalGroup,"There is a molecule consisting of 1 amine group, and 1 sulfone group.",CC(C)(C)CS(=O)(=O)NCCCCC(=O)[O-]
AddComponent,Modify the molecule CC1C(c2ccccc2)c2ccccc2C1(C)c1ccccc1 by adding a benzene ring.,CC1C(C)(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1
SubComponent,Please substitute a halo in the molecule [NH3+]CCNc1nc2c(I)c(I)c(I)c(I)c2[nH]1 with a hydroxyl.,[NH3+]CCNc1nc2c(O)c(I)c(I)c(I)c2[nH]1
DelComponent,Modify the molecule amine by removing a CC(C)(C)OC(=O)N1CCC(Nc2cc[nH+]cc2B2OC(C)(C)C(C)(C)O2)CC1.,CC(C)(C)OC(=O)N1CCC(c2cc[nH+]cc2B2OC(C)(C)C(C)(C)O2)CC1
LogP,Optimize the molecule COc1cccc(CC(NN)c2csc(C)n2)c1F to have a higher LogP value.,COc1cccc(CC(NN)c2csc(C)n2)c1S
MR,Modify the molecule O=C1CCCN1CC[NH+]1CCCCC1c1nc(CO)co1 to decrease its MR value.,CCCC[NH+]1CCCCC1c1nc(CO)co1
QED,Modify the molecule Cc1cncc(C(O)c2cc(F)cc(F)c2)c1 to increase its QED value.,Cc1cncc(C(O)c2cc(F)cc(F)c2C#N)c1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, and 2 oxygen atoms.",CC#CCCCCOC1(C)CCCCO1
BondNum,"Please generate a molecule composed of 11 single bonds, 1 double bond, 8 rotatable bonds, and 6 aromatic bonds.",CCOCCC[NH2+]Cc1ccc(F)cc1[N+](=O)[O-]
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,CCC(C)C1CN(Cc2ccc(C)cc2)C(CC)C[NH2+]1
AddComponent,Add a amine to the molecule Cc1ccc(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)n1.,Cc1cc(N)c(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)n1
SubComponent,Substitute a halo in the molecule CC(OC(=O)Cc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1 with a nitrile.,CC(OC(=O)Cc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccccc1
DelComponent,Modify the molecule amine by removing a CCNC(=NCC(CC(C)C)[NH+]1CCCC1)NC(C)COC.,CCC(=NCC(CC(C)C)[NH+]1CCCC1)NC(C)COC
LogP,Optimize the molecule O=C(CCSc1ccc2ccccc2n1)Nc1c(Cl)cccc1Cl to have a lower LogP value.,N#Cc1cccc(Cl)c1NC(=O)CCSc1ccc2ccccc2n1
MR,Please modify the molecule CCNC(NCCCOCCOC)=[NH+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 to increase its MR value.,CCNC(NCCCOCCOC)=[NH+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1O
QED,Please optimize the molecule O=S(CCOc1ccc(Cl)cc1)Cc1ccc(Cl)cc1F to have a higher QED value.,O=S(CCOc1ccc(Cl)cc1)Cc1cc(O)c(Cl)cc1F
AtomNum,"Please generate a molecule with 12 carbon atoms, and 1 nitrogen atom.",C=CC[NH2+]C1CCC(C)(C)CC1C
BondNum,"Please generate a molecule with 20 single bonds, 1 double bond, and 6 rotatable bonds.",CCC(S(=O)C(CC)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
FunctionalGroup,"The molecule contains 1 ester group, and 1 sulfide group.",CCOC(=O)c1sc(NC(=O)NC2CCc3ncnn3C2)cc1C
AddComponent,Please add a hydroxyl to the molecule CC1(CCNS(=O)(=O)CCc2ccccc2)OCCO1.,CC1(CCNS(=O)(=O)CCc2ccccc2O)OCCO1
SubComponent,Please substitute a halo in the molecule Cc1ccc(C(C)NC(=O)c2ccn(COc3ccccc3Cl)n2)c(C)c1 with a nitrile.,Cc1ccc(C(C)NC(=O)c2ccn(COc3ccccc3C#N)n2)c(C)c1
DelComponent,Remove a halo from the molecule CCOC(=O)c1c(NC(=O)C(CC)Sc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)sc2c1CCCCC2.,CCOC(=O)c1c(NC(=O)C(CC)Sc2cccc(NC(=O)Cc3ccccc3)c2)sc2c1CCCCC2
LogP,Please optimize the molecule O=P([O-])(C(O)c1cccc(Cl)c1)C(O)c1cccc(Cl)c1 to have a lower LogP value.,O=P([O-])(C(O)c1cccc(Cl)c1)C(O)c1cc(O)cc(Cl)c1
MR,Modify the molecule CN(CCCBr)C(=O)C1(C)CCCCC1 to have a higher MR value.,CN(CCCS)C(=O)C1(C)CCCCC1
QED,Please modify the molecule Cc1cc(Cl)ccc1NC(=S)N1CCCCC1C to decrease its QED value.,Cc1cc(Cl)cc(-c2ccccc2)c1NC(=S)N1CCCCC1C
AtomNum,"There is a molecule with 32 carbon atoms, 8 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",CCCCN(OS(=O)(=O)ON1C(=O)N2CC1CCC2c1nnc(CCCNC(=O)OC(C)(C)C)o1)C(CCC)(CCCC)CCCC
BondNum,"The molecule is composed of 16 single bonds, 3 double bonds, and 5 rotatable bonds.",C=CCNC(=O)NC(=O)CN1CCC(C)CC1C[NH3+]
FunctionalGroup,"Please generate a molecule with 1 amide group, 1 sulfide group, and 1 sulfone group.",CS(=O)(=O)CCCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1
AddComponent,Please add a hydroxyl to the molecule C=Cc1cccc(OCCC)c1.,C=C(O)c1cccc(OCCC)c1
SubComponent,Substitute a nitrile in the molecule Cc1ccc(C(=O)c2cnnc(N)c2C#N)cc1 with a nitro.,Cc1ccc(C(=O)c2cnnc(N)c2NO)cc1
DelComponent,Modify the molecule halo by removing a CCC(CC)C1C[NH+]=C(NCCc2ccc(Cl)s2)S1.,CCC(CC)C1C[NH+]=C(NCCc2cccs2)S1
LogP,Optimize the molecule CC(=NNC(N)=S)C(=NNC(N)=S)c1ccccc1 to have a higher LogP value.,CC(=NNC=S)C(=NNC(N)=S)c1ccccc1
MR,Please modify the molecule C=C1NC(=[NH+]C(C)=O)C=CN1C1OC(CC)CC1OC to decrease its MR value.,C=C1NCC=CN1C1OC(CC)CC1OC
QED,Modify the molecule CCCn1ncnc1C[NH2+]C1CC(Cl)C1(C)C to decrease its QED value.,CC1(C)C(Cl)CC1[NH2+]Cc1ncnn1CCCO
AtomNum,"There is a molecule composed of 11 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
BondNum,"The molecule has 14 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CN(C)CC[NH2+]C(CO)c1cc(Cl)c2c(c1)OCO2
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 sulfone group.",CCOC(OCC)C1OCC(OS(C)(=O)=O)C1OCc1ccccc1
AddComponent,Modify the molecule CNc1c(C)nc(N2CC3C4C=CC(CC4)C3C2)nc1C by adding a benzene ring.,CNc1c(C)nc(N2CC3C4C=CC(CC4)C3C2)nc1Cc1ccccc1
SubComponent,Please substitute a halo in the molecule O=C(c1ccc(F)cc1Cl)N1CCC(c2ccccc2)S(=O)(=O)CC1 with a nitro.,ONc1ccc(C(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)c(Cl)c1
DelComponent,Please remove a CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(Cc3ccccc3F)c(Cl)c2)cc1 from the molecule halo.,CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(Cc3ccccc3F)cc2)cc1
LogP,Please modify the molecule CNC(=O)c1ccc(C)c(SC(=O)N(C)C)c1 to increase its LogP value.,CNC(=O)c1ccc(C)c(SC(=O)N(C)Cc2ccccc2)c1
MR,Please modify the molecule Cc1nccnc1NC(C)C(C)(C)O to increase its MR value.,Cc1nccnc1NC(C)C(C)(C)Br
QED,Modify the molecule COC(=O)c1cn(C(CNC(=O)OC(C)(C)C)C2c3ccccc3CSc3ccccc32)c(C(=O)OC)c(OCc2ccccc2)c1=O to decrease its QED value.,COC(=O)c1cn(C(CNC(=O)OC(C)(C)C)C2c3ccccc3SCc3c(C(=O)O)cccc32)c(C(=O)OC)c(OCc2ccccc2)c1=O
AtomNum,"There is a molecule with 12 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCC(CO)(CO)[NH2+]C(C)CCC(C)C
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",O=C([O-])C1CC[NH+](C(c2cccc(F)c2)c2cccc(Br)c2)CC1
FunctionalGroup,The molecule consists of and 1 amide group.,CC(C)N1C(=O)COc2ccc(C([NH3+])C3CCCCC3)cc21
AddComponent,Modify the molecule O=C(NC1CCOC1C1CC1)N1C2CCC1COC2 by adding a benzene ring.,O=C(NC1CCOC1C1(c2ccccc2)CC1)N1C2CCC1COC2
SubComponent,Modify the molecule CC(NC(=O)C1CCCN1C(=O)C(Cl)CCCCCCCC1(O)OC(CO)C(O)C(O)C1O)C(=O)[O-] by substituting a hydroxyl with a nitrile.,CC(NC(=O)C1CCCN1C(=O)C(Cl)CCCCCCCC1(C#N)OC(CO)C(O)C(O)C1O)C(=O)[O-]
DelComponent,Please remove a CC(=CCOCc1ccccc1)C(NC(=O)OC(C)(C)C)C(C)CO from the molecule hydroxyl.,CC(=CCOCc1ccccc1)C(NC(=O)OC(C)(C)C)C(C)C
LogP,Modify the molecule C[NH2+]CC(O)C(CC1CCOCC1)N(C(=O)[O-])C(C)(C)C to increase its LogP value.,C[NH2+]CC(Br)C(CC1CCOCC1)N(C(=O)[O-])C(C)(C)C
MR,Please modify the molecule CC(C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)Cc1c(F)cccc1Cl to increase its MR value.,CC(C(=O)Nc1ccc(NO)cc1)S(=O)(=O)Cc1c(F)cccc1Cl
QED,Please optimize the molecule CCC(C)CNC(=O)c1cnc(Cl)c2ccccc12 to have a higher QED value.,CCC(C)CNC(=O)c1cncc2ccccc12
AtomNum,"Please generate a molecule with 32 carbon atoms, 8 oxygen atoms, and 4 nitrogen atoms.",COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCCCOc2cc(-c3ccc(OC)cc3)[nH]n2)C1c1ccccc1[N+](=O)[O-]
BondNum,"There is a molecule with 17 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C(COc1ccc(Cl)cc1)NC1CCN(C(=O)C(F)(F)F)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 amine groups.",CCCOc1ccc(C(NN)C(C)(CC)OC)cc1
AddComponent,Modify the molecule Cc1[nH+]cc(-c2nc(NC3CCN(S(=O)(=O)C4CCN(C(=O)OCc5ccccc5)CC4)CC3)ncc2F)n1C(C)C by adding a hydroxyl.,Cc1[nH+]cc(-c2nc(NC3CCN(S(=O)(=O)C4CCN(C(=O)OC(O)c5ccccc5)CC4)CC3)ncc2F)n1C(C)C
SubComponent,Modify the molecule OCc1cccnc1Oc1ccc(F)cc1Cl by substituting a halo with a aldehyde.,CC(=O)c1ccc(Oc2ncccc2CO)c(Cl)c1
DelComponent,Please remove a benzene ring from the molecule CCOc1ccccc1NC(=O)CSc1cccc(NC(=O)C(=Cc2c(F)cccc2Cl)NC(=O)c2ccccc2)c1.,CCOc1ccccc1NC(=O)CSNC(=O)C(=Cc1c(F)cccc1Cl)NC(=O)c1ccccc1
LogP,Modify the molecule O=C(Nc1ccc2cn[nH]c2c1)C1CC(=O)N(c2cccc(Br)c2)C1 to decrease its LogP value.,O=C(Nc1ccc2cn[nH]c2c1)C1CC(=O)N(c2cccc(S)c2)C1
MR,Modify the molecule CCOC1CC(O)C12CCN(C(=O)c1c(-c3ccccc3)ccnc1C)CC2 to have a higher MR value.,CCOC1CC(O)C12CCN(C(=O)c1c(-c3ccccc3)ccnc1C)C(O)C2
QED,Optimize the molecule [NH3+]CCc1ccc(Cc2cccc(Cl)c2)cc1 to have a lower QED value.,CC(=O)c1cccc(Cc2ccc(CC[NH3+])cc2)c1
AtomNum,"The molecule is composed of 10 carbon atoms, 2 oxygen atoms, 1 sulfur atom, and 1 fluorine atom.",COc1cc(CO)c2scc(F)c2c1
BondNum,"The molecule consists of 12 single bonds, 3 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",NC1=N[NH+]2C(=CSC2c2cc([N+](=O)[O-])ccc2[O-])S1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 3 halo groups, and 1 sulfone group.",O=S(=O)(Cl)c1cccc(-c2ccc(F)c(F)c2)c1
AddComponent,Add a hydroxyl to the molecule C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)=NOCC(C)C.,C=C1CCC(O)CC1=CC=C1CCCC2(CO)C1CCC2C(C)=NOCC(C)C
SubComponent,Substitute a O=C([O-])c1ccc(F)c(COCc2cccnc2)c1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(C(=O)[O-])cc1COCc1cccnc1
DelComponent,Please remove a amide from the molecule CCC(C)NC(=O)c1cccc(C)c1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2Cl)CC1.,CCC(C)NC(=O)c1cccc(C)c1NC(=O)CCC1CC[NH+](C(C)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2Cl)C1
LogP,Please modify the molecule O=C(CC1CCC(C(F)(F)F)CC1)NCC(=O)N1CCCC1 to increase its LogP value.,O=C(CC1CCC(C(F)(F)F)CC1)N1CCCC1
MR,Modify the molecule Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccccc1C(=O)N1CCCC1)C2=O to decrease its MR value.,Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC(=O)N1CCCC1)C2=O
QED,Please optimize the molecule CC(F)(F)C1(C)CN2CCC(c3cccc(F)c3)N2C1=O to have a lower QED value.,CC(F)(F)C1(C)CN2CCC(F)N2C1=O
AtomNum,"The molecule consists of 16 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",COc1ccc(-c2cc3c(nc(C)c4cncn43)[nH]2)cc1
BondNum,"The molecule consists of 10 single bonds, 4 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCBr
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 ester group, 1 amide group, and 1 sulfide group.",CCOC(=O)C1CCN(C(=O)c2csc(C[NH+](CCC(c3ccccc3)c3ccccc3)Cc3ccc4c(c3)OCO4)n2)CC1
AddComponent,Modify the molecule CCCCN(CCCC)C(=S)Nc1ccccn1 by adding a hydroxyl.,CCCCN(C(=S)Nc1ccccn1)C(O)CCC
SubComponent,Substitute a nitro in the molecule CN(CCCCCO)C(=O)c1ccc(F)cc1[N+](=O)[O-] with a thiol.,CN(CCCCCO)C(=O)c1ccc(F)cc1[SH]=O
DelComponent,Modify the molecule halo by removing a O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2F)CC1.,O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1
LogP,Modify the molecule CCn1c(C[NH+]2CCCC(C)C2CO)nc2cc(F)ccc21 to have a lower LogP value.,CCn1c(C[NH+]2CCCC(C)C2CO)nc2ccccc21
MR,Modify the molecule CCNC(=O)N1CCCC(F)(c2nc(-c3ccccc3)no2)C1 to have a higher MR value.,CCNC(=O)N1CCC(O)C(F)(c2nc(-c3ccccc3)no2)C1
QED,Modify the molecule CC1SCC(C(NN)c2sccc2Cl)SC1C to have a higher QED value.,CC1SCC(C(N)c2sccc2Cl)SC1C
AtomNum,"Please generate a molecule with 31 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C(=O)OC)cc3)C2c2ccc(C(C)C)cc2)cc1
BondNum,"The molecule is composed of 14 single bonds, 1 double bond, and 5 rotatable bonds.",COC(C)(C[NH+]=C(N)NC(C)C)C1CC1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, 2 halo groups, 1 thioether group, and 1 sulfide group.",CNc1nc(CSc2ccc(Cl)cc2)ncc1Br
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(C[NH2+]CC(=O)NCC#N)cn1.,Cc1cc(O)c(C[NH2+]CC(=O)NCC#N)cn1
SubComponent,Please substitute a hydroxyl in the molecule CC12CC(c3ccc(O)cc3)=C3C4CCCCC4=CCC3C1CC13OCCOC12OCCO3 with a carboxyl.,CC12CC(c3ccc(C(=O)[OH])cc3)=C3C4CCCCC4=CCC3C1CC13OCCOC12OCCO3
DelComponent,Remove a halo from the molecule CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N(Cc2cccc(-c3ccc(OC)nc3)c2)CC(O)C([NH3+])Cc2cc(F)cc(F)c2)c1.,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N(Cc2cccc(-c3ccc(OC)nc3)c2)CC(O)C([NH3+])Cc2cccc(F)c2)c1
LogP,Modify the molecule CC1(c2noc(-c3cccc(O)c3)n2)CC1 to increase its LogP value.,CC1(c2noc(-c3cccc(I)c3)n2)CC1
MR,Optimize the molecule COc1ccccc1CC[NH2+]C=C(C#N)C(=O)Nc1cc(Cl)ccc1Cl to have a higher MR value.,COc1ccccc1CC[NH2+]C=C(C#N)C(=O)Nc1cc(C(=O)[OH])ccc1Cl
QED,Please optimize the molecule CCNP(=S)(OCC)Oc1c(Cl)cc(Cl)cc1Cl to have a higher QED value.,CCNP(=S)(OCC)Oc1ccc(Cl)cc1Cl
AtomNum,"There is a molecule composed of 23 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1cc(C)nc(Sc2ccc(NC(=O)COc3ccc4ccc(=O)oc4c3)cc2)n1
BondNum,"Please generate a molecule with 11 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",CC1CN(Cc2ccccc2)CC[NH+]1Cc1ccn[nH]1
FunctionalGroup,Please generate a molecule with and 10 benzene ring groups.,c1ccc(C2=C3C(=C(c4ccccc4)c4cc(-c5ccccc5)c(-c5ccccc5)cc43)C(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)=C2c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
AddComponent,Add a amine to the molecule CC1COC(CO)CN1S(=O)(=O)c1cnccc1NN.,CC1(N)COC(CO)CN1S(=O)(=O)c1cnccc1NN
SubComponent,Please substitute a halo in the molecule Cn1c(=O)c2c(nc(-c3cc(Cl)cc(Cl)c3)n2Cc2c(F)cccc2Cl)n(C)c1=O with a nitrile.,Cn1c(=O)c2c(nc(-c3cc(Cl)cc(C#N)c3)n2Cc2c(F)cccc2Cl)n(C)c1=O
DelComponent,Modify the molecule benzene ring by removing a Nc1cccc(Cn2ccnc2Cc2ccc(F)cc2F)c1.,NCn1ccnc1Cc1ccc(F)cc1F
LogP,Modify the molecule C[NH+](C)C(CNC(=O)C(=O)NC1CCCCCC1)c1ccsc1 to decrease its LogP value.,C[NH+](C)C(CNC(=O)C(=O)NC1CCCC(N)CC1)c1ccsc1
MR,Please optimize the molecule C=C(CC(C)OC(=O)Nc1ccc(SC)cc1)C(=O)[O-] to have a lower MR value.,C=C(CC(C)OC(=O)NSC)C(=O)[O-]
QED,Please modify the molecule CC(C)(C)OC(=O)N1CC(Nc2ccc(Cl)nc2)C1 to increase its QED value.,CC(=O)c1ccc(NC2CN(C(=O)OC(C)(C)C)C2)cn1
AtomNum,"Please generate a molecule consisting 8 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 sulfur atom.",Cn1nnc(C(=O)C([NH3+])c2cccs2)n1
BondNum,"Please generate a molecule consisting 11 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CC[NH+](CC)CCNC(=O)c1c([O-])c2ccccc2n(C)c1=O
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 2 ketone groups, and 1 sulfide group.",Cc1cccc(C(=O)C2=C(Sc3ccccc3)C(C)(C)CCC2=O)c1C
AddComponent,Modify the molecule Cc1ccccc1C(C(=O)[O-])[NH+](C)Cc1cc(-c2ccncc2)no1 by adding a hydroxyl.,Cc1ccccc1C(C(=O)[O-])[NH+](CO)Cc1cc(-c2ccncc2)no1
SubComponent,Please substitute a halo in the molecule Cc1ccc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3cccc4ccccc34)C2=O)cc1 with a carboxyl.,Cc1ccc(C2=C(Nc3ccc(C)c(C(=O)[OH])c3)C(=O)N(c3cccc4ccccc34)C2=O)cc1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(N(CCC[NH3+])CC2CC3CCC2C3)cc1.,CN(CCC[NH3+])CC1CC2CCC1C2
LogP,Modify the molecule CCC1CC(C[NH2+]C2CC2)(c2ccccc2Br)C1 to decrease its LogP value.,CCC1CC(C[NH2+]C2CC2)(c2ccccc2O)C1
MR,Optimize the molecule Cc1cccc(C(C)(C)S(=O)(=O)[O-])c1 to have a higher MR value.,Cc1cc(O)cc(C(C)(C)S(=O)(=O)[O-])c1
QED,Modify the molecule O=C(NN1C(=O)C(=Cc2cccc(F)c2)SC1=S)c1ccc(Br)cc1 to have a lower QED value.,O=C(NN1C(=O)C(=Cc2cccc(F)c2)SC1=S)c1ccc(Br)c(S)c1
AtomNum,"Please generate a molecule with 24 carbon atoms, 5 oxygen atoms, and 6 fluorine atoms.",C=C1C(=O)OC2C1CC(OC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)C(C)=CCCC1(C)OC21
BondNum,"The molecule contains 10 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",COCCc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1
FunctionalGroup,"There is a molecule consisting of 1 amine group, and 1 sulfide group.",CCCOc1nc2ccc(N)cc2s1
AddComponent,Add a hydroxyl to the molecule CCN(CC)C(C[NH3+])c1ccc(OCCOc2ccccc2)cc1.,CCN(CC)C(C[NH3+])c1ccc(OCCOc2ccccc2O)cc1
SubComponent,Please substitute a hydroxyl in the molecule CCc1cc(B(O)O)ccn1 with a nitrile.,CCc1cc(B(O)C#N)ccn1
DelComponent,Modify the molecule CC1(O)C=C(C(F)F)CC(C)(C)C1 by removing a hydroxyl.,CC1C=C(C(F)F)CC(C)(C)C1
LogP,Please optimize the molecule Nc1ncccc1C(=O)Nc1ccc(Br)c(Cl)c1Cl to have a lower LogP value.,N#Cc1ccc(NC(=O)c2cccnc2N)c(Cl)c1Cl
MR,Modify the molecule CC(C)CC(O)C(O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)CC(C)c1ccccc1 to increase its MR value.,CC(C)CC(S)C(O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)CC(C)c1ccccc1
QED,Please modify the molecule CC[NH+](CC)CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccccc1 to increase its QED value.,CC[NH+](CC)CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)c1ccccc1
AtomNum,"The molecule consists of 17 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC1CCCO1
BondNum,"There is a molecule consisting of 3 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",Clc1c[nH+]c(C=Cc2ccccc2)[nH]1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 sulfone group.",Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1S(=O)(=O)N1CCCCC1
AddComponent,Modify the molecule CN(C)[Si](C)(C)CC[SiH2]c1ccccc1 by adding a hydroxyl.,CN(C)[Si](C)(CO)CC[SiH2]c1ccccc1
SubComponent,Modify the molecule CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)c2)CC1 by substituting a halo with a nitro.,CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(NO)cn3)c2)CC1
DelComponent,Remove a amine from the molecule Cc1ccc(-c2csc(NN=Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1.,Cc1ccc(-c2csc(N=Cc3ccc(Cl)c(Cl)c3)n2)c(C)c1
LogP,Optimize the molecule O=c1c2ccccc2nnn1Cc1cccc(OCC(F)(F)F)c1 to have a lower LogP value.,O=c1c2ccccc2nnn1Cc1cc(OCC(F)(F)F)ccc1O
MR,Please modify the molecule CC(C)(C)OC(=O)CC(C(=O)N1CCCC1c1ccnc(-n2cnc3ccccc32)c1)C1CCCCC1 to decrease its MR value.,CC(C)(C)OC(=O)C1C(c2ccnc(-n3cnc4ccccc43)c2)CCC1C1CCCCC1
QED,Please optimize the molecule Cc1sc(Br)cc1S(=O)(=O)NC1(CCl)CCC1 to have a higher QED value.,Cc1sc(C#N)cc1S(=O)(=O)NC1(CCl)CCC1
AtomNum,"The molecule contains 16 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",Cc1ccc(C(=O)CCC(=O)NCc2cn(CC(=O)[O-])nn2)cc1
BondNum,"The molecule has 19 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccnc(CN2OCC3(O2)ON(CC(=O)[O-])c2ccc(Cl)cc23)c1OC
FunctionalGroup,"There is a molecule composed of 1 amide group, 2 thioether groups, and 1 sulfide group.",O=C(NCCSC1CCCC1)c1ccoc1
AddComponent,Please add a benzene ring to the molecule Cc1cc(OC(=O)CCNC(=O)c2cccs2)c(C(C)C)cc1Cl.,CC(C)c1cc(Cl)c(Cc2ccccc2)cc1OC(=O)CCNC(=O)c1cccs1
SubComponent,Modify the molecule hydroxyl by substituting a CCOc1ccc(C2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccccc2OC(C)C)cc1OCC with a thiol.,CCOc1ccc(C2C(c3cccc(OCC(C)C)c3)=C(S)C(=O)N2c2ccccc2OC(C)C)cc1OCC
DelComponent,Remove a Cc1cc2c(=O)ccn(CC(N)=O)c2cc1Cl from the molecule halo.,Cc1ccc2c(c1)c(=O)ccn2CC(N)=O
LogP,Modify the molecule O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(C[NH+]2CCCCC2)cc1 to have a lower LogP value.,ONc1ccc2c(c1)C(=O)N(CC(=O)Nc1ccc(C[NH+]3CCCCC3)cc1)C2=O
MR,Modify the molecule CC(C)c1ccc(C(C)C)c(CCl)c1 to decrease its MR value.,CC(C)c1ccc(C(C)C)c(CNO)c1
QED,Modify the molecule COC(=O)C(Cc1cccc(F)c1F)C(=O)OC to decrease its QED value.,CC(=O)c1cccc(CC(C(=O)OC)C(=O)OC)c1F
AtomNum,"There is a molecule consisting of 31 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",COc1cc(C(=O)N(C)CCO)ccc1-c1cc2ncc(C)c(-c3ccc(NC4CCOCC4)c(C#N)c3)c2o1
BondNum,"Please generate a molecule composed of 9 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",[NH3+]CCN1C(=O)SC(=Cc2ccccn2)C1=O
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 2 amine groups.",Cc1c(NN)nc(C(C)C)nc1N1CCCC(C(N)=O)C1
AddComponent,Add a carboxyl to the molecule CCCc1nn(C)c2c1nc(CCl)n2CCc1ncno1.,CCCc1nn(C)c2c1nc(CCl)n2CCc1nc(C(=O)O)no1
SubComponent,Modify the molecule CN(C)C(=O)c1c(I)cccc1N(C)C by substituting a halo with a carboxyl.,CN(C)C(=O)c1c(C(=O)[OH])cccc1N(C)C
DelComponent,Remove a O=C(Nc1cc(Cl)cc(Br)c1)NC1CCC2C[NH2+]CC2C1 from the molecule halo.,O=C(Nc1cccc(Br)c1)NC1CCC2C[NH2+]CC2C1
LogP,Please optimize the molecule COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCC2CCCCC2C1)C(F)(F)F to have a lower LogP value.,COc1ccccc1C(C)(C)CC(O)(CN1CCC2CCCCC2C1)C(F)(F)F
MR,Please optimize the molecule Nc1ccc(C2[NH+]=C(c3cccc(C(=O)[O-])c3)NO2)cc1 to have a higher MR value.,Nc1ccc(C2[NH+]=C(c3cccc(C(=O)[O-])c3)NO2)cc1O
QED,Modify the molecule COc1ccc2occ(C(O)C(O)c3coc4ccc(OC)cc4c3=O)c(=O)c2c1 to increase its QED value.,COc1ccc2occ(CC(O)c3coc4ccc(OC)cc4c3=O)c(=O)c2c1
AtomNum,"Please generate a molecule with 24 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",C=CC[NH+](CC(=O)N1CCc2sccc2C1COc1cccc(C)c1)CC(O)CC
BondNum,"The molecule contains 26 single bonds, 4 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",Cc1cc(F)c(C(=O)NC2CC=CCCC(=O)Nc3cc(NC(=O)OCC4CCCO4)ccc3-c3nc2[nH]c3Cl)c(F)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",COc1ccc(C(CO)N(C)C(=O)c2cc3c(C)cccn3c2)cc1
AddComponent,Modify the molecule [NH3+]Cc1ccccc1OCCCS(=O)c1ccccc1F by adding a benzene ring.,[NH3+]Cc1c(OCCCS(=O)c2ccccc2F)cccc1-c1ccccc1
SubComponent,Please substitute a CCCCCCCCCCC(Br)(C=O)CC in the molecule halo with a nitrile.,CCCCCCCCCCC(C#N)(C=O)CC
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(-c2cn3c([nH+]2)CN=C(c2ccccc2F)c2cc(C(C)=O)ccc2-3)cc1.,COc1cn2c([nH+]1)CN=C(c1ccccc1F)c1cc(C(C)=O)ccc1-2
LogP,Optimize the molecule [NH3+]CCCCc1c(-c2ccc3c(c2)OCCO3)[nH]c2ccccc12 to have a higher LogP value.,[NH3+]CCCCc1c(-c2ccc3c(c2)OCCO3)[nH]c2ccc(-c3ccccc3)cc12
MR,Modify the molecule CN(C)c1nc2ccccc2c(Cl)c1C=C(C#N)C(N)=O to have a higher MR value.,CN(C)c1nc2ccc(-c3ccccc3)cc2c(Cl)c1C=C(C#N)C(N)=O
QED,Modify the molecule Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cn1 to decrease its QED value.,Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 2 oxygen atoms, 1 sulfur atom, and 2 chlorine atoms.",O=S(=O)(Cl)C1CCC2C(Cl)CCCC2C1
BondNum,"The molecule contains 7 single bonds, 5 rotatable bonds, and 22 aromatic bonds.",Nc1nc(NCc2ccncc2)nc2c1ncn2Cc1ccc(F)cc1
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,COCC[NH2+]CC(=O)NCc1noc(C)n1
AddComponent,Add a amine to the molecule COC(=O)CC1CN(c2cc[nH+]c(C)c2)CCO1.,COC(=O)CC1CN(c2cc[nH+]c(C)c2N)CCO1
SubComponent,Substitute a halo in the molecule CC(C)Oc1ccc(CNC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc1 with a nitrile.,CC(C)Oc1ccc(CNC(=O)Cc2ccccc2Nc2c(Cl)cccc2C#N)cc1
DelComponent,Modify the molecule Cc1cc(C(=O)N2C(C)COCC2C)ccc1O by removing a benzene ring.,COC(=O)N1C(C)COCC1C
LogP,Optimize the molecule CC=CCC(C)C(CC(C)C)C(CCC)=C(C)CC(O)CC1CCCCC1CC to have a higher LogP value.,CC(=O)C(CC(C)=C(CCC)C(CC(C)C)C(C)CC=CC)CC1CCCCC1CC
MR,Please modify the molecule COCCCC[NH2+]C(CCCCNC(=O)C[NH3+])C(C)=O to decrease its MR value.,COCCCC[NH2+]C(CCCC[NH3+])C(C)=O
QED,Please modify the molecule Cc1cccc(C(=O)[O-])c1OCCC1CCCO1 to decrease its QED value.,Cc1c(CC=O)ccc(C(=O)[O-])c1OCCC1CCCO1
AtomNum,"The molecule consists of 8 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC([NH2+]C(C)c1cscn1)C(=O)[O-]
BondNum,"The molecule consists of 13 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1cccc(CC(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 2 hydroxyl groups, 2 amide groups, and 2 halo groups.",O=C(NN(c1ccccc1)c1ccnc2[nH]c(=O)c(C(=O)NCC(O)CO)c(-c3ccccc3)c12)c1ccc(F)c(F)c1
AddComponent,Modify the molecule O=c1c(=Cc2ccccc2OCc2ccccc2)sc2nc(-c3ccccc3Cl)nn12 by adding a hydroxyl.,O=c1c(=C(O)c2ccccc2OCc2ccccc2)sc2nc(-c3ccccc3Cl)nn12
SubComponent,Please substitute a CCCCC1CCC(C([NH2+]CCC)c2cscc2Br)CC1 in the molecule halo with a aldehyde.,CC(=O)c1cscc1C([NH2+]CCC)C1CCC(CCCC)CC1
DelComponent,Please remove a nitrile from the molecule CCCN(CC#N)C(=O)C(C)Oc1ccc(Cl)cc1Cl.,CCCN(C)C(=O)C(C)Oc1ccc(Cl)cc1Cl
LogP,Optimize the molecule CC(=O)C(C)(C)Oc1ccc2c(c1)B(O)OC2 to have a higher LogP value.,CC(=O)C(C)(C)Oc1ccc2c(c1)BOC2
MR,Optimize the molecule CCC1OC(=O)C(C)C(OC(=O)Cc2cccnc2)C(C)C(OC2OC(C)CC([NH+](C)Cc3ccccc3)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O to have a higher MR value.,CCC1OC(=O)C(C)C(OC(=O)Cc2cccnc2)C(C)C(OC2OC(C)CC([NH+](C)Cc3ccccc3)C2C(=O)[OH])C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
QED,Please modify the molecule CCC1[NH2+]C(C)C(=O)N1C1CCOC1C to decrease its QED value.,CCC1(N)[NH2+]C(C)C(=O)N1C1CCOC1C
AtomNum,"The molecule contains 13 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(N(C)Cc2cscn2)c(C(N)=[NH+]O)c1
BondNum,"The molecule contains 14 single bonds, 3 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CCOc1ccc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,Cc1cc(C[NH3+])ccc1N1CCC2CCCCC21
AddComponent,Add a benzene ring to the molecule Cc1ccnc(NCCCC[NH+](C)C)c1C#N.,Cc1c(-c2ccccc2)cnc(NCCCC[NH+](C)C)c1C#N
SubComponent,Modify the molecule N#CC(=CNc1ccccc1C(N)=O)C(=O)Nc1cccc(S(=O)(=O)[O-])c1 by substituting a nitrile with a halo.,NC(=O)c1ccccc1NC=C(Br)C(=O)Nc1cccc(S(=O)(=O)[O-])c1
DelComponent,Modify the molecule amide by removing a Cc1noc(CS(=O)(=O)C2CCN(C(=O)CC3CCCCC3)C2)n1.,Cc1noc(CS(=O)(=O)C2CC(C3CCCCC3)C2)n1
LogP,Modify the molecule CCC1CCC(N(C)C(=O)c2cc(O)ccc2N)CC1 to have a higher LogP value.,CCC1CCC(N(C)C(=O)c2cc(S)ccc2N)CC1
MR,Modify the molecule Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)cnn1-c1ccccc1F to have a higher MR value.,Cc1c(C(=O)Nc2cc3c(cc2-c2ccccc2)OC(C)C(=O)N3)cnn1-c1ccccc1F
QED,Modify the molecule CC1(C)c2oc(BO)cc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)cc1c32 to have a higher QED value.,CC1(C)c2oc(BO)cc2-n2c3ccccc3c3cc(-c4ccccc4)cc1c32
AtomNum,"There is a molecule with 15 carbon atoms, 1 oxygen atom, and 1 fluorine atom.",CC(=O)c1ccccc1-c1cc(F)ccc1C
BondNum,"Please generate a molecule consisting 7 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cc1sc(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1F
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,c1ccc(Oc2nc3nnnn3c3ccccc23)cc1
AddComponent,Add a benzene ring to the molecule CCCCc1onc(C)c1[Sn](C)(C)C.,CCCCc1onc(C)c1[Sn](C)(C)Cc1ccccc1
SubComponent,Modify the molecule CC1CCCCN1S(=O)(=O)c1ccc(C(=O)OCCCC#N)cc1 by substituting a nitrile with a halo.,CC1CCCCN1S(=O)(=O)c1ccc(C(=O)OCCCI)cc1
DelComponent,Remove a O=C1N[NH2+][NH+](Oc2nc3ccccc3s2)N1c1ccccc1 from the molecule benzene ring.,O=C1N[NH2+][NH+](Oc2nc3ccccc3s2)N1
LogP,Modify the molecule CCCCCCCCC=CCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)[O-])C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCC to decrease its LogP value.,CCCCCCCCC=CCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)[O-])C(O)(C(=O)O)C(O)C1O)OC(=O)CCCCCCCCCCCCC
MR,Please optimize the molecule O=C(Nc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1F to have a higher MR value.,O=C(Nc1cccc(S)c1Cl)c1ccc(F)c(F)c1F
QED,Please optimize the molecule CC(=O)c1ccc(OC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 to have a lower QED value.,CC(=O)c1ccc(OC(NC(=O)Cc2ccccc2)C(O)(Cl)Cl)cc1
AtomNum,"The molecule is composed of 22 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC(C)(C)N1C(=O)c2c(ccc3ccccc23)C1c1ccccc1
BondNum,"There is a molecule composed of 18 single bonds, 4 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c(OC)c1
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,CN(C(=O)C1CC=CCC1)C1(C)CCCC1
AddComponent,Modify the molecule CCOP(=O)(COCOn1cnc2c(N)ncnc21)OCC by adding a benzene ring.,CCOP(=O)(COCOn1cnc2c(N)ncnc21)OCCc1ccccc1
SubComponent,Modify the molecule halo by substituting a CCc1ccc(CC(=O)c2ccc(F)c(Br)c2)cc1 with a nitrile.,CCc1ccc(CC(=O)c2ccc(C#N)c(Br)c2)cc1
DelComponent,Remove a benzene ring from the molecule CS(=O)(=O)NC1CCCN(C(=O)Nc2cccc(N3CCNC3=O)c2)C1.,CS(=O)(=O)NC1CCCN(C(=O)NN2CCNC2=O)C1
LogP,Optimize the molecule CN(CCC1CCCC1([NH2+]C1CC1)C(N)=O)CC(F)F to have a lower LogP value.,CC(=O)C(F)CN(C)CCC1CCCC1([NH2+]C1CC1)C(N)=O
MR,Please modify the molecule C=C(C[NH2+]C1CC1)CN1C(=O)C(=O)c2cc(Cl)c(F)cc21 to decrease its MR value.,C=C(C[NH2+]C1CC1)COc1ccc(Cl)c(F)c1
QED,Modify the molecule O=[N+]([O-])c1ccc(N(CCl)CCl)cc1 to have a higher QED value.,O=[N+]([O-])c1ccc(N(CCl)C(Cl)c2ccccc2)cc1
AtomNum,"The molecule is composed of 17 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CC1CCCCN1S(=O)(=O)c1c[nH]c(-c2nnc(C(=O)N3CCOCC3)o2)c1
BondNum,"Please generate a molecule consisting 26 single bonds, 3 double bonds, 12 rotatable bonds, and 5 aromatic bonds.",CC(CCCC(=O)c1cc(O)n(O)c1O)[NH2+]C(CCCC1SCC2NC(=O)NC21)C(=O)[O-]
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 3 halo groups.",Cn1c(-c2ccccn2)nn(CCNC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O
AddComponent,Modify the molecule CSC1CCCC1Nc1c(C)cccc1[N+](=O)[O-] by adding a benzene ring.,CSC1CC(c2ccccc2)CC1Nc1c(C)cccc1[N+](=O)[O-]
SubComponent,Please substitute a halo in the molecule C[NH2+]CC(=O)c1c(OC)ccc(Cl)c1F with a thiol.,C[NH2+]CC(=O)c1c(OC)ccc(S)c1F
DelComponent,Remove a nitrile from the molecule CCN(c1ccncc1)S(=O)(=O)c1ccc(CC#N)cc1.,CCN(c1ccncc1)S(=O)(=O)c1ccc(C)cc1
LogP,Modify the molecule CC(=O)OC1C2CC(OC1C)c1ccc3c(c1N2)C(=O)c1ccc2cc(C)ccc2c1C3=O to have a higher LogP value.,CC(=O)OC1C(C)OC2CC1c1c2ccc2c1C(=O)c1ccc3cc(C)ccc3c1C2=O
MR,Please optimize the molecule O=S([O-])c1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2 to have a higher MR value.,ONc1cc(S(=O)[O-])cc2c1CC(O)C(c1ccc(O)c(O)c1)O2
QED,Please optimize the molecule Nn1nc(NCc2ccccc2Cl)ccc1=O to have a lower QED value.,Nn1nc(NCc2cc(-c3ccccc3)ccc2Cl)ccc1=O
AtomNum,"There is a molecule with 16 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CC(=O)c1ccc2c(c1)CCN2CCc1nc(C[NH3+])cs1
BondNum,"The molecule is composed of 10 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",CCCOC(=O)c1c(N)sc(CC)c1-c1ccc(C)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 2 amine groups, 4 halo groups, and 1 nitrile group.",Cc1ccc(C(=O)NC(N=C(NC#N)Nc2ccccc2F)C(Cl)(Cl)Cl)cc1
AddComponent,Modify the molecule C=CC1CCCC=CCC(C)C1 by adding a carboxyl.,C=CC1CCCC=C(C(=O)O)CC(C)C1
SubComponent,Modify the molecule hydroxyl by substituting a CC(=O)OC1CC(O)CC(OCc2ccccc2)C1 with a nitrile.,CC(=O)OC1CC(C#N)CC(OCc2ccccc2)C1
DelComponent,Remove a halo from the molecule CC1(CNS(=O)(=O)c2ccc(C#N)cc2Cl)CCC1.,CC1(CNS(=O)(=O)c2ccc(C#N)cc2)CCC1
LogP,Optimize the molecule CC(C(=O)OCC#N)N1C(=O)C2CC=CCC2C1=O to have a lower LogP value.,CC(C(=O)OCC#N)N1C(=O)C2CC=C(O)CC2C1=O
MR,Modify the molecule COC(=O)c1ccc(C(C)NC2CCCS(=O)(=O)C2)o1 to increase its MR value.,CC(NC1CCCS(=O)(=O)C1)c1ccc(C(=O)OCO)o1
QED,Optimize the molecule Cc1nccc(NC2COCC2n2nc(-c3ccncc3)ccc2=O)n1 to have a lower QED value.,Cc1nccc(C2COCC2n2nc(-c3ccncc3)ccc2=O)n1
AtomNum,"The molecule has 20 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",CN(C)c1ncccc1C(=O)N1CC[NH+](CC(=O)c2ccc(Cl)cc2)CC1
BondNum,"The molecule is composed of 8 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CN(C(=O)c1cc(NN)ccc1[N+](=O)[O-])c1ccccn1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 aldehyde group, and 1 sulfide group.",CCOc1ccc(-c2nc(C=O)sc2C)cc1C
AddComponent,Modify the molecule CC1(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCS(=O)(=O)C1 by adding a benzene ring.,CC1(NC(=O)c2ccc(NC(=O)c3ccco3)cc2-c2ccccc2)CCS(=O)(=O)C1
SubComponent,Substitute a NC(=[NH+]C=[NH+]c1ccc(OC(F)(F)F)cc1)c1ccc(C=NNC(=S)Nc2ccccc2C2CCCC2)cc1 in the molecule halo with a hydroxyl.,NC(=[NH+]C=[NH+]c1ccc(OC(O)(F)F)cc1)c1ccc(C=NNC(=S)Nc2ccccc2C2CCCC2)cc1
DelComponent,Remove a amide from the molecule CC(C)(C)c1ccc(C=CC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1.,CC(C)(C)c1ccc(C=CC(=O)Nc23ccccC2COCC3)cc1
LogP,Optimize the molecule CC(C)C(C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1C(=O)c2ccccc2C1=O to have a higher LogP value.,CC(C)C(C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)c(-c2ccccc2)c1)N1C(=O)c2ccccc2C1=O
MR,Modify the molecule Cc1cccc(Cn2cc(-c3cn(C4CC(O)C(CO)O4)c(=O)[nH]c3=O)nn2)c1 to increase its MR value.,Cc1cccc(Cn2cc(-c3cn(C4CC(C#N)C(CO)O4)c(=O)[nH]c3=O)nn2)c1
QED,Optimize the molecule CCNc1nc(C)cc(NCCNC(=O)COc2ccc(OC)cc2)n1 to have a lower QED value.,COc1ccc(OCC(=O)NCCNc2cc(C)nc(NC(C)c3ccccc3)n2)cc1
AtomNum,"There is a molecule with 26 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 fluorine atom, and 3 chlorine atoms.",CCCOc1ccc(C2C(=C([O-])c3ccc(Cl)c(Cl)c3)C(=O)C(=O)N2c2ccc(F)c(Cl)c2)cc1
BondNum,"Please generate a molecule consisting 5 single bonds, 2 double bonds, 2 rotatable bonds, and 11 aromatic bonds.",CCc1nc2c(=O)[nH]c(=O)n(C)c2nc1CC
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,Cc1cc(C(=O)N2CCC([NH3+])C(C)(C)C2)nn1C
AddComponent,Please add a hydroxyl to the molecule CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccc(-n2cnc3ccccc32)nc1.,CS(=O)(=O)Cc1nc2c(O)cccc2n1CC(=O)NCc1ccc(-n2cnc3ccccc32)nc1
SubComponent,Modify the molecule NS(=O)(=O)CCCCCS by substituting a thiol with a carboxyl.,NS(=O)(=O)CCCCCC(=O)[OH]
DelComponent,Remove a benzene ring from the molecule COc1ccc(-c2c(C)sc3ncnc(SC(C)C(=O)[O-])c23)cc1.,COc1c(C)sc2ncnc(SC(C)C(=O)[O-])c12
LogP,Modify the molecule COc1ccc(CN(C(=O)CC(C)CC(C)(C)C)C(C)C)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 to have a lower LogP value.,COc1ccc(CN(C(=O)CC(C)CC(C)(C)C)C(C)C)cc1OS(=O)(=O)c1cccc(C(F)(F)C(=O)[OH])c1
MR,Modify the molecule C=CCOC(=O)C1C2CCC3(S2)C1C(=O)N(CCCCO)C3C(=O)N(CC=C)C(C)(C)C to have a lower MR value.,C=CCOC(=O)C1C2CCC(CCCCO)(S2)C1C(=O)N(CC=C)C(C)(C)C
QED,Modify the molecule CCC(F)C(C(=O)OC)[NH+]1C2CCCC1CC2 to decrease its QED value.,CCC(S)C(C(=O)OC)[NH+]1C2CCCC1CC2
AtomNum,"The molecule has 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCNS(=O)(=O)N(C)CCC(c1ccc(OC)c(OC)c1)C1CC1
BondNum,"There is a molecule composed of 16 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC([NH2+]CC1CCCCC1C)c1ccc2c(c1)CCC2
FunctionalGroup,"The molecule consists of 4 hydroxyl groups, 4 ketone groups, 2 ester groups, and 1 halo group.",CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C([NH3+])CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C
AddComponent,Add a benzene ring to the molecule CCC1CC[NH+](CC2CCCN2C(=O)Cc2cncn2Cc2ccc(C#N)cc2)C1C(=O)[O-].,CCC1CC[NH+](CC2CCCN2C(=O)Cc2cncn2Cc2ccc(C#N)c(-c3ccccc3)c2)C1C(=O)[O-]
SubComponent,Modify the molecule halo by substituting a CC(c1ccccc1)N(C)C(=O)C[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl with a hydroxyl.,CC(c1ccccc1)N(C)C(=O)C[NH+](C)CC(=O)Nc1c(O)cccc1Cl
DelComponent,Remove a hydroxyl from the molecule CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCC)COP(=O)([O-])OC1C(O)C(O)C(O)C(O)C1O.,CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCC)COP(=O)([O-])OC1CC(O)C(O)C(O)C1O
LogP,Please modify the molecule CCC(CC)C([NH3+])CNS(=O)(=O)c1cnn(C)c1 to increase its LogP value.,CCC(CC)C([NH3+])CS(=O)(=O)c1cnn(C)c1
MR,Please optimize the molecule CCCC[Sn](C=CC(C)(O)CC(C)C)(CCCC)CCCC to have a lower MR value.,CCCC[Sn](C=CC(C)CC(C)C)(CCCC)CCCC
QED,Modify the molecule CC(C)(C)C(=O)c1ccccc1OC(=O)c1ccccc1O to have a lower QED value.,CC(C)(C)C(=O)c1ccccc1OC(=O)c1ccccc1
AtomNum,"There is a molecule consisting of 25 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",O=C(OCC(=O)N1CCc2ccccc21)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O
BondNum,"Please generate a molecule with 7 single bonds, 2 double bonds, 6 rotatable bonds, and 22 aromatic bonds.",O=C(CCn1cnc2ccccc2c1=O)NCc1cncc(-c2cccs2)c1
FunctionalGroup,"The molecule consists of 2 hydroxyl groups, 2 thioether groups, 1 sulfide group, and 1 disulfide group.",OC1CSSC(O)C1
AddComponent,Add a amine to the molecule CCCCCC=CCC1OC1CC=CCCCCC(=O)[O-].,CCCCCC=CCC1OC1C(N)C=CCCCCC(=O)[O-]
SubComponent,Modify the molecule halo by substituting a Cc1cc2c(cc1F)CC[NH2+]C2c1c[n+]([O-])c(C)cn1 with a nitrile.,Cc1cc2c(cc1C#N)CC[NH2+]C2c1c[n+]([O-])c(C)cn1
DelComponent,Modify the molecule C=CCn1c(=O)c2ccccc2n2c(SC(C)C(=O)c3ccc(CC)cc3)nnc12 by removing a benzene ring.,C=CCn1c(=O)c2ccccc2n2c(SC(C)C(=O)CC)nnc12
LogP,Please optimize the molecule CC1(C)NC(=O)CCC1NC(=O)c1ccc(CO)c(F)c1 to have a lower LogP value.,CC1(C)NC(=O)CCC1NC(=O)c1ccc(CO)c(NO)c1
MR,Please modify the molecule O=C(OCc1ccccc1)N1CC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C(O)(CO)C1 to increase its MR value.,O=C(OCc1ccccc1)N1CC(OCc2ccccc2)C(OCc2ccccc2S)C(OCc2ccccc2)C(O)(CO)C1
QED,Please modify the molecule CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCOCC1)C2c1cccc([N+](=O)[O-])c1 to increase its QED value.,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCOCC1)C2[N+](=O)[O-]
AtomNum,"Please generate a molecule consisting 39 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 2 fluorine atoms.",Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(C(=O)NC(C)C(=O)Nc4ccc(F)c(NC(=O)C5CCCCC5)c4)CC3)c2)c(F)c1
BondNum,"The molecule is composed of 20 single bonds, 4 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
FunctionalGroup,"Please generate a molecule composed of 7 benzene ring groups, and 3 ester groups.",C=CCCCOC1OC(C(COC(=O)c2ccccc2)OC(=O)c2ccccc2)C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C1OC(=O)c1ccccc1
AddComponent,Modify the molecule CSc1ncc(-c2ccc3ncc4c(=O)n(COP(=O)([O-])[O-])c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1 by adding a hydroxyl.,CSc1ncc(-c2cc(O)c3ncc4c(=O)n(COP(=O)([O-])[O-])c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1
SubComponent,Modify the molecule COc1ccc(Br)c(-c2nc3scc(-c4ccc(Cl)cc4)n3n2)c1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(OC)cc1-c1nc2scc(-c3ccc(Cl)cc3)n2n1
DelComponent,Please remove a benzene ring from the molecule C[NH+]1CCCCC1CNC(=O)NCc1ccccc1.,CNC(=O)NCC1CCCC[NH+]1C
LogP,Please optimize the molecule CCOC(=O)CCN(CC)C(=O)CCC(=O)c1ccc(Cl)cc1 to have a lower LogP value.,CCOC(=O)CCN(CC)C(=O)CCC(=O)Cl
MR,Please modify the molecule CC1CCCC1CC(=O)N1CCn2cnnc2C1 to decrease its MR value.,CC1CCCC1C1Cc2nncn2C1
QED,Modify the molecule O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 to have a lower QED value.,O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2ccccc2)c(-c2ccccc2)c1
AtomNum,"Please generate a molecule with 37 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CCCCCCCCCCCC[N+](C)(C)CC[N+](C)(CCCN=C=O)CC[N+](C)(C)CCCCCCCCCCCC
BondNum,"Please generate a molecule consisting 12 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",COc1cc2c(cc1C(O)Cc1ccc(Br)s1)OC(C)C2
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, 3 halo groups, and 1 sulfone group.",CN1CC[NH+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
AddComponent,Modify the molecule CCOC(=O)C1(C)CCCCC1(C)C by adding a aldehyde.,CC(CC=O)OC(=O)C1(C)CCCCC1(C)C
SubComponent,Modify the molecule COCCN1C(=O)N(N)C([NH2+]C2C=CC(Oc3cncc(C(=O)OC)c3)=CC2)N(Cc2ccc(Cl)cc2)C1=O by substituting a halo with a hydroxyl.,COCCN1C(=O)N(N)C([NH2+]C2C=CC(Oc3cncc(C(=O)OC)c3)=CC2)N(Cc2ccc(O)cc2)C1=O
DelComponent,Please remove a CCC(C)NC(=O)Cn1nc(-c2ccc(Cl)cc2)c(OC)cc1=O from the molecule amide.,CCC(C)n1nc(-c2ccc(Cl)cc2)c(OC)cc1=O
LogP,Modify the molecule CC(NC(=O)N1CCCCC1c1nnc2n1CCCC2)C(C)C1CCCCC1 to have a lower LogP value.,CC(NC(=O)N1CCCCC1c1nnc2n1CCCC2)C(C)C1(O)CCCCC1
MR,Optimize the molecule CC(C)(C)c1ccccc1OCCCCCBr to have a higher MR value.,CC(C)(C)c1ccccc1OC(CCCCBr)c1ccccc1
QED,Modify the molecule O=C(C[NH2+]CC(O)C(F)F)NC1CCCCCC1 to have a lower QED value.,O=C(C[NH2+]CC(O)CF)NC1CCCCCC1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCCC(C)[NH2+]C1C(=O)Nc2ccccc21
BondNum,"Please generate a molecule composed of 10 single bonds, 4 rotatable bonds, and 16 aromatic bonds.",Cc1ccccc1-n1c(C)nnc1SCc1noc(C(C)(C)C)n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 3 halo groups.",O=C(C[NH+]1CC(O)CC1c1ccccc1C(F)(F)F)N1CCNC1=O
AddComponent,Add a benzene ring to the molecule CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1cc(Br)ccc1OCC(C)C.,CCCCCCCCCC(OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1cc(Br)ccc1OCC(C)C)c1ccccc1
SubComponent,Modify the molecule COc1ccc(N2CCN(c3nc(C(=O)NC(C)c4ccc(F)cc4)cs3)CC2)cc1 by substituting a halo with a carboxyl.,COc1ccc(N2CCN(c3nc(C(=O)NC(C)c4ccc(C(=O)[OH])cc4)cs3)CC2)cc1
DelComponent,Remove a Cc1ccc(S(=O)(=O)Nc2cc(SC(C)C(=O)[O-])c(O)c3ccccc23)cc1 from the molecule amine.,Cc1ccc(S(=O)(=O)c2cc(SC(C)C(=O)[O-])c(O)c3ccccc23)cc1
LogP,Please modify the molecule CCN(CC)C(=O)NCCNC(=O)C(F)(F)F to increase its LogP value.,CCN(C(=O)NCCNC(=O)C(F)(F)F)C(C)c1ccccc1
MR,Modify the molecule CCC1CCCC1[NH2+]C(C)C(=O)N1CCOCC1 to decrease its MR value.,CCC1CCCC1[NH2+]CC1CCOC1
QED,Modify the molecule COCCN(CCC(=O)NCCc1ccccn1)C(=O)c1cc(-c2cc(OC)ccc2OC)on1 to have a lower QED value.,COCCN(CCC(=O)NCCc1ccccn1)C(=O)c1cc(-c2cc(OC)ccc2OCN)on1
AtomNum,"Please generate a molecule with 21 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CS(=O)(=O)c1ccc(-c2nnc(NC(=O)COc3ccc4ccccc4c3)o2)cc1
BondNum,"There is a molecule consisting of 24 single bonds, 1 double bond, and 2 rotatable bonds.",C[NH+]=C(NC1CC(C)(OC)C1(C)C)N1CCC2(CCOCC2)C1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amide groups, and 1 nitro group.",[NH3+]CC(=O)NCC(=O)NCc1ccccc1[N+](=O)[O-]
AddComponent,Add a benzene ring to the molecule COCCOc1ccccc1CNC(=O)C1[NH2+]CCOC1C.,COCC(Oc1ccccc1CNC(=O)C1[NH2+]CCOC1C)c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule COCc1ccccc1C[NH2+]CC(O)CO with a aldehyde.,CC(=O)C(CO)C[NH2+]Cc1ccccc1COC
DelComponent,Modify the molecule halo by removing a Cc1ccc(C2=C(Nc3cccc(C)c3C)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1.,Cc1ccc(C2=C(Nc3cccc(C)c3C)C(=O)N(c3cccc(F)c3)C2=O)cc1
LogP,Optimize the molecule O=C(CSc1nc2c(oc3ccccc32)c(=O)n1Cc1ccccc1)Nc1ccc(F)c(Cl)c1 to have a lower LogP value.,O=C(CSc1nc2c(oc3cc(C(=O)O)ccc32)c(=O)n1Cc1ccccc1)Nc1ccc(F)c(Cl)c1
MR,Please modify the molecule Clc1ccc(CC[NH2+]Cc2ccc(Cl)c(Br)c2)s1 to decrease its MR value.,Oc1ccc(CC[NH2+]Cc2ccc(Cl)c(Br)c2)s1
QED,Modify the molecule O=C(c1cccc(C(F)(F)F)c1)c1cc2cc(Cl)ccc2oc1=O to have a higher QED value.,O=C(c1cc2cc(Cl)ccc2oc1=O)C(F)(F)F
AtomNum,"There is a molecule consisting of 15 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(=O)NC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
BondNum,"Please generate a molecule composed of 10 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",COc1cc(F)c(C(CCO)C(=O)[O-])cc1F
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 3 halo groups.",[NH3+]C(Cc1cccc(Cl)c1)Cc1ccc(Cl)cc1Cl
AddComponent,Modify the molecule CC1CCCC2CC(=O)C3(C)OC12C1C(=O)N(c2ccccc2)C(=O)C13 by adding a benzene ring.,CC1CCC(c2ccccc2)C2CC(=O)C3(C)OC12C1C(=O)N(c2ccccc2)C(=O)C13
SubComponent,Substitute a hydroxyl in the molecule CCC(CO)N(C(=O)Cc1ccccc1)C1CCS(=O)(=O)C1 with a nitrile.,CCC(CC#N)N(C(=O)Cc1ccccc1)C1CCS(=O)(=O)C1
DelComponent,Please remove a benzene ring from the molecule CC(c1cccc(Cl)c1)N(C)c1ccc(C(N)=[NH+]O)nc1.,CC(Cl)N(C)c1ccc(C(N)=[NH+]O)nc1
LogP,Optimize the molecule CCOC(=O)Cn1[nH]c2cccc(F)c2c1=O to have a lower LogP value.,CCOC(=O)Cn1[nH]c2ccccc2c1=O
MR,Modify the molecule NC1=[NH+]C2(CCN3C(=O)c4ccncc4C3C2)Nc2cccc(F)c21 to increase its MR value.,NC1=[NH+]C2(CCN3C(=O)c4ccncc4C3C2)Nc2cccc(O)c21
QED,Optimize the molecule C[NH2+]CC(C)C(=O)NCCCOc1cccc2cccnc12 to have a lower QED value.,C[NH2+]CC(C)C(=O)NCC(COc1cccc2cccnc12)c1ccccc1
AtomNum,"The molecule has 20 carbon atoms, and 3 oxygen atoms.",COC1CC(=O)CC2CCC3C4CCC(=O)C4(C)CCC3C21C
BondNum,"The molecule is composed of 6 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",CC(=O)c1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 halo group, and 1 sulfone group.",Cc1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1Cl
AddComponent,Please add a benzene ring to the molecule COc1ccc(C(=C[NH+](C)C)C(=O)c2ccc(OC)cc2OB(F)F)cc1.,COc1ccc(C(=C[NH+](C)C)C(=O)c2ccc(OC)c(-c3ccccc3)c2OB(F)F)cc1
SubComponent,Please substitute a hydroxyl in the molecule O=c1c2cc(F)c(F)cc2ncn1CCCO with a carboxyl.,O=C([OH])CCCn1cnc2cc(F)c(F)cc2c1=O
DelComponent,Remove a halo from the molecule CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(F)cc3c2OCOC3)ccc1Cl.,CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cccc3c2OCOC3)ccc1Cl
LogP,Modify the molecule C[NH2+]C(C=O)c1ccc2c(c1)CCC2 to increase its LogP value.,C[NH2+]c1ccc2c(c1)CCC2
MR,Optimize the molecule COc1ccc(C(C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 to have a higher MR value.,CC(=O)c1ccc(C(=O)NC(C)c2ccc(OC)cc2)cc1S(=O)(=O)Nc1ccc(C)c(C)c1
QED,Modify the molecule CCCCC(CS)C(=O)NCCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(=O)CCC to have a higher QED value.,CCCCC(CS)C(=O)NCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCC
AtomNum,"The molecule consists of 13 carbon atoms, 2 oxygen atoms, 7 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",O=C([O-])c1cc(C=Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
BondNum,"The molecule is composed of 15 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",C[NH+]1CCN(c2ccc(NC(=O)CC(=O)Nc3ccccc3F)cc2)CC1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, and 6 halo groups.",NC(=O)c1cccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1
AddComponent,Modify the molecule O=Cc1c2c(nn1-c1ccccc1)CCOC2 by adding a benzene ring.,O=Cc1c2c(nn1-c1ccccc1)CC(c1ccccc1)OC2
SubComponent,Substitute a hydroxyl in the molecule COCCNS(=O)(=O)c1cccc(C(=O)NCCNC(=O)c2ccc(O)cc2)c1 with a halo.,COCCNS(=O)(=O)c1cccc(C(=O)NCCNC(=O)c2ccc(I)cc2)c1
DelComponent,Modify the molecule Cc1cc(C)c2c(c1)NCC2[NH+]1CCCC1 by removing a amine.,Cc1cc(C)c2c(c1)CC2[NH+]1CCCC1
LogP,Please modify the molecule Cc1ccnc(Nc2cc(N3CCN(C(=O)c4ccccc4I)CC3)nc(C)n2)c1 to increase its LogP value.,Cc1ccnc(Nc2cc(N3CCN(C(=O)c4ccccc4I)C(c4ccccc4)C3)nc(C)n2)c1
MR,Modify the molecule COc1ccc(C=CC(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)cc1F to have a higher MR value.,COc1ccc(C=CC(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)cc1
QED,Optimize the molecule CCC(C)C(=O)OCCC(C)CC(C)(C)C to have a lower QED value.,CCC(C)C(=O)OCCC(C)CC(C)(C)CS
AtomNum,"Please generate a molecule with 16 carbon atoms, 1 nitrogen atom, 2 sulfur atoms, and 1 bromine atom.",CCCCCCc1cc(-c2ccc(CC#N)s2)sc1Br
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, 5 rotatable bonds, and 21 aromatic bonds.",Cc1ccc(-c2cnc(CCC(=O)N3CCCC3c3nc4ccccc4[nH]3)o2)cc1
FunctionalGroup,"The molecule contains 3 benzene ring groups, and 3 amide groups.",COc1ccc(C2CCN(C(=O)C(c3ccccc3)n3cnc(NC(=O)C(COCc4ccccc4)NC(=O)C(C)(C)[NH3+])c3)CC2)cc1
AddComponent,Add a amine to the molecule CN1C(=O)CS(=O)(=O)C12CCN(C(=O)c1cc(F)ccc1Cl)CC2.,CN1C(=O)C(N)S(=O)(=O)C12CCN(C(=O)c1cc(F)ccc1Cl)CC2
SubComponent,Modify the molecule halo by substituting a Cc1nn(CC(C)C(=O)N2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c(C)c1Cl with a thiol.,Cc1nn(CC(C)C(=O)N2CC[NH+](Cc3c(S)cccc3Cl)CC2)c(C)c1Cl
DelComponent,Please remove a CCOC(=O)c1c(CO)noc1-c1ccccc1 from the molecule benzene ring.,CCOC(=O)c1conc1CO
LogP,Modify the molecule Cn1c(Nc2nc3ccc(OC(F)(F)F)cc3s2)nc2cc(C(=O)NN3CCOCC3)ccc21 to decrease its LogP value.,Cn1c(Nc2nc3ccc(OC(F)(F)C(=O)[OH])cc3s2)nc2cc(C(=O)NN3CCOCC3)ccc21
MR,Optimize the molecule CC1CCCCC1C(=O)NC1CC(C)S(=O)(=O)c2sccc21 to have a higher MR value.,CC1C(C(=O)O)CCCC1C(=O)NC1CC(C)S(=O)(=O)c2sccc21
QED,Please optimize the molecule [NH3+]CC1(CCc2ccc([N+](=O)[O-])cc2)CC2CCC1O2 to have a lower QED value.,[NH3+]CC1(CCc2ccc([N+](=O)[O-])c(-c3ccccc3)c2)CC2CCC1O2
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",C[NH+](C)C1CCN(CCCN2CC3(CC[NH+](Cc4cccnc4N)CC3)OC2=O)C1
BondNum,"There is a molecule consisting of 7 single bonds, 2 double bonds, 5 rotatable bonds, and 15 aromatic bonds.",C=C(C)COc1ccc(-c2nc3sc(C)nn3c2C=O)cc1
FunctionalGroup,"Please generate a molecule composed of 1 amine group, and 2 halo groups.",CN(c1ncc(N)cc1-c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)C1CC[NH+](C)CC1
AddComponent,Modify the molecule CC(C)(C)OC(=O)C1CCC2CCC(CO)C([NH3+])C(=O)N21 by adding a hydroxyl.,CC(C)(C)OC(=O)C1CCC2CCC(O)(CO)C([NH3+])C(=O)N21
SubComponent,Substitute a O=C1c2cc(O)ccc2-c2ncccc21 in the molecule hydroxyl with a nitro.,ONc1ccc2c(c1)C(=O)c1cccnc1-2
DelComponent,Remove a halo from the molecule C=Cc1cc2cc(Br)ccc2s1.,C=Cc1cc2ccccc2s1
LogP,Please modify the molecule COc1ccc(C2Oc3ccccc3OC2C(=O)NCCOc2c(OC)cccc2OC)cc1 to decrease its LogP value.,COc1ccc(C2Oc3cc(C(=O)O)ccc3OC2C(=O)NCCOc2c(OC)cccc2OC)cc1
MR,Modify the molecule NC(=O)c1ccccc1OCC(=O)Nc1nc(-c2ccccc2)cs1 to have a lower MR value.,NC(=O)c1ccccc1Oc1nc(-c2ccccc2)cs1
QED,Please optimize the molecule CCc1ccccc1Oc1cc(CCl)c(Cl)cn1 to have a higher QED value.,CCc1ccccc1Oc1cc(CCl)ccn1
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 oxygen atoms, and 4 fluorine atoms.",CCCCOCCOCCOc1c(F)c(F)cc(F)c1F
BondNum,"There is a molecule composed of 14 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC1C[NH+](CCOc2ccccc2N)CC(C)(C)O1
FunctionalGroup,"There is a molecule with 1 amide group, 2 halo groups, and 1 sulfide group.",CN1C(=O)CCC(C(=O)[O-])C1c1cc(Br)c(Br)s1
AddComponent,Modify the molecule CCCC1(C(=O)[O-])CCN(C(=O)C(C)(C)CC)CC1 by adding a hydroxyl.,CCCC1(C(=O)[O-])CCN(C(=O)C(C)(CC)CO)CC1
SubComponent,Substitute a O=C(c1ccccc1)N1CC[NH2+]CC1Cl in the molecule halo with a nitro.,ONC1C[NH2+]CCN1C(=O)c1ccccc1
DelComponent,Please remove a CCOc1ccc(N2CC[NH2+]CC23CCCC3)cc1 from the molecule benzene ring.,CCON1CC[NH2+]CC12CCCC2
LogP,Modify the molecule CCn1cc([N+](=O)[O-])c(=O)n(CCCO)c1=O to increase its LogP value.,CCCn1c(=O)c([N+](=O)[O-])cn(CC)c1=O
MR,Please modify the molecule CCC([NH2+]Cc1cnc(C)s1)c1ccc(F)cn1 to increase its MR value.,CCC([NH2+]Cc1cnc(C)s1)c1ccc(NO)cn1
QED,Modify the molecule C#CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I to have a higher QED value.,C#CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 bromine atoms.",Cc1cc(Br)c(NC(=O)COC2(C)C[NH2+]C2)c(Br)c1
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1Cl
FunctionalGroup,There is a molecule with and 1 amide group.,CN1CCCC([NH+]2CC(Cn3cc(C(C)(C)C)nn3)C2)C1=O
AddComponent,Add a hydroxyl to the molecule CCC(NC(=O)C(N)CS(=O)(=O)Cc1ccccc1)C(O)c1nc(-c2ccccc2)no1.,CCC(NC(=O)C(N)CS(=O)(=O)Cc1ccccc1O)C(O)c1nc(-c2ccccc2)no1
SubComponent,Modify the molecule Nc1ccnn1Cc1cccc(Br)c1 by substituting a halo with a thiol.,Nc1ccnn1Cc1cccc(S)c1
DelComponent,Remove a nitrile from the molecule COc1ccc2c(c1)NC(C)C(CC#N)S2.,COc1ccc2c(c1)NC(C)C(C)S2
LogP,Optimize the molecule Fc1cccc(F)c1COc1cccnc1NC(=S)Nc1ccc(Cl)cc1 to have a lower LogP value.,OC(Oc1cccnc1NC(=S)Nc1ccc(Cl)cc1)c1c(F)cccc1F
MR,Please optimize the molecule COC(=O)c1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 to have a lower MR value.,COC(=O)NC(=S)N(CC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3
QED,Optimize the molecule O=C([O-])C1CN(c2nc3nc(F)ncc3s2)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 to have a higher QED value.,O=C([O-])C1CN(c2nc3nc(F)ncc3s2)CCN1S(=O)(=O)c1ccc(OC(F)F)cc1
AtomNum,"There is a molecule with 10 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",[N-]=[N+]=C1C(=O)c2ccccc2C1=C=O
BondNum,"Please generate a molecule consisting 3 single bonds, 1 rotatable bond, and 11 aromatic bonds.",Nc1cn(-c2ccccc2O)cn1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 ketone group, and 2 amide groups.",CCc1[nH]ncc1C(=O)N(C)c1cccc(C(=O)c2ccc3c(c2)NC(=O)C3C=Nc2ccc(C[NH+]3CCCC3)cc2)c1
AddComponent,Modify the molecule Cc1cccc2c(=O)cc(C(=O)Nc3ccc(F)cc3)oc12 by adding a carboxyl.,Cc1cccc2c(=O)c(C(=O)O)c(C(=O)Nc3ccc(F)cc3)oc12
SubComponent,Substitute a O=C([O-])CCNC(=O)CCCOc1cccc(F)c1 in the molecule halo with a thiol.,O=C([O-])CCNC(=O)CCCOc1cccc(S)c1
DelComponent,Remove a benzene ring from the molecule CCCCOc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1.,CCCCOC(=O)OCC(=O)c1cc(C)n(-c2cc(C)on2)c1C
LogP,Optimize the molecule COc1ccccc1C=CC(=O)NNC(=O)c1ccccc1C to have a higher LogP value.,COc1cccc(-c2ccccc2)c1C=CC(=O)NNC(=O)c1ccccc1C
MR,Please modify the molecule CC(Br)(CBr)C(=O)Nc1ccc(Br)cc1 to increase its MR value.,CC(S)(CBr)C(=O)Nc1ccc(Br)cc1
QED,Optimize the molecule CSc1ccc(COC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 to have a higher QED value.,CSc1ccc(COC(=O)c2csc(-c3ccc(C#N)cc3)n2)cc1
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1cc(NCc2coc(-c3ccccc3)n2)no1
BondNum,"The molecule contains 7 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",Cn1nncc1C(=O)C1CNc2ccccc21
FunctionalGroup,"The molecule is composed of 1 halo group, and 1 sulfone group.",CN(Cl)C(C)(C)CS(=O)(=O)[O-]
AddComponent,Add a benzene ring to the molecule CCc1ccc(C(=O)c2cc(C)cc(C)c2)s1.,Cc1cc(C)cc(C(=O)c2ccc(C(C)c3ccccc3)s2)c1
SubComponent,Substitute a halo in the molecule Cc1ccccc1OCCI with a carboxyl.,Cc1ccccc1OCCC(=O)[OH]
DelComponent,Modify the molecule COC(=O)CCc1ccc(C=CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)o1 by removing a amide.,COC(=O)CCc1ccc(C=CC(=O)NC23CC4CC(CC(C4)C2)C3)o1
LogP,Please optimize the molecule CCC[NH2+]Cc1ccc(COCC(F)(F)C(F)(F)F)nc1 to have a lower LogP value.,CCC[NH2+]Cc1ccc(COCC(F)(S)C(F)(F)F)nc1
MR,Optimize the molecule O=C(CCn1cnc2ccc(Br)cc2c1=O)NCC1CCC[NH2+]C1 to have a lower MR value.,N#Cc1ccc2ncn(CCC(=O)NCC3CCC[NH2+]C3)c(=O)c2c1
QED,Modify the molecule O=C(NC1CCOC1=O)C1CCC1 to have a lower QED value.,O=C1OCCC12CCC2
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CC1CC[NH+](CCCNC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)CC1
BondNum,"The molecule is composed of 26 single bonds, 2 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",COc1ccc(CN2C(=O)c3c(C)cc(Nc4ncnc(NC(=O)C5CC5)c4C)c(SC)c3C23CCCCC3)cc1
FunctionalGroup,"The molecule has 1 hydroxyl group, and 1 amine group.",Cc1[nH]c(-c2ccc(NCC(O)c3ccco3)nc2)nc(=O)c1C
AddComponent,Please add a benzene ring to the molecule Cc1cc(C)c(NC(=O)C2Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1.,Cc1cc(C)c(NC(=O)C2(c3ccccc3)Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1
SubComponent,Modify the molecule Cc1cc(Br)cnc1NC(=O)Cc1ccccc1N by substituting a halo with a carboxyl.,Cc1cc(C(=O)[OH])cnc1NC(=O)Cc1ccccc1N
DelComponent,Remove a amine from the molecule CCNC(NCCCCCCC(C)C)=[NH+]Cc1nc(C)no1.,CCNC(Cc1nc(C)no1)NCCCCCCC(C)C
LogP,Modify the molecule CCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 to have a lower LogP value.,CCCOc1ccc(C(=O)Nc2nc3cc(C)cc(C)c3o2)cc1
MR,Please optimize the molecule CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1nc2ccccc2s1 to have a lower MR value.,CCn1c(COc2ccc(C(C)C)cc2)nnc1Sc1nc2ccccc2s1
QED,Modify the molecule CC(c1cn[nH]c1)c1cn(CC(=O)N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C2CC[NH+](C)CC2)c(SCc2ccc(F)cc2)nc1=O to decrease its QED value.,CC(c1cn[nH]c1)c1cn(CC(=O)N(Cc2ccc(-c3ccc(C(F)(F)NO)cc3)cc2)C2CC[NH+](C)CC2)c(SCc2ccc(F)cc2)nc1=O
AtomNum,"There is a molecule consisting of 18 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",COc1ccc(OC2CCCN(C(=O)c3cc(-c4ccco4)[nH]n3)C2)nn1
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, 1 triple bond, 1 rotatable bond, and 6 aromatic bonds.",N#CC1CCCCN1C(=O)Nc1ccccc1Cl
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 1 halo group.",COc1cccc(C2OC(CCc3noc(CCC(=O)[O-])n3)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC
AddComponent,Modify the molecule CC(C)[NH2+]CC1CCCN1CC1CCCCC1 by adding a hydroxyl.,CC(C)[NH2+]CC1CCCN1CC1CCCC(O)C1
SubComponent,Substitute a halo in the molecule CC(CCc1ccccc1)NC(=O)c1[nH]c2ccccc2c1Cl with a nitro.,CC(CCc1ccccc1)NC(=O)c1[nH]c2ccccc2c1NO
DelComponent,Modify the molecule benzene ring by removing a CC(=O)c1ccc(N(S(=O)(=O)c2ccccc2C#N)S(=O)(=O)c2ccccc2C#N)cc1Cl.,CC(=O)c1ccc(N(S(=O)(=O)C#N)S(=O)(=O)c2ccccc2C#N)cc1Cl
LogP,Please modify the molecule CCCN(CC1CC1)C(=O)C=Cc1cc(Cl)c2c(c1)OCCO2 to decrease its LogP value.,CC(=O)c1cc(C=CC(=O)N(CCC)CC2CC2)cc2c1OCCO2
MR,Please modify the molecule CCc1c(C)c2ccc(NC(=O)C3CC(=O)N(c4ccc(OC)cc4)C3)cc2[nH]c1=O to decrease its MR value.,CCc1c(C)c2ccc(NC(=O)C(C)c3ccc(OC)cc3)cc2[nH]c1=O
QED,Modify the molecule Cc1c(I)cccc1[N+]#N to decrease its QED value.,Cc1ccccc1[N+]#N
AtomNum,"There is a molecule with 13 carbon atoms, and 4 nitrogen atoms.",CC[NH+]1CCN(c2ncccc2C[NH2+]C)CC1
BondNum,"Please generate a molecule with 16 single bonds, 3 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)cc(C)c3)C2c2ccc(O)c(Cl)c2)cc1
FunctionalGroup,The molecule is composed of and 1 halo group.,C[NH+](C)C1(Cn2cc(Br)cc2C(=O)[O-])CCCC1
AddComponent,Modify the molecule CC(NS(=O)(=O)Cc1noc2ccccc12)c1cnn(C)c1 by adding a hydroxyl.,CC(NS(=O)(=O)C(O)c1noc2ccccc12)c1cnn(C)c1
SubComponent,Please substitute a CC1CC([NH3+])CC(c2ccncc2NC(=O)c2ccc(F)c3cc(-c4cn[nH]c4)cnc23)C1 in the molecule halo with a carboxyl.,CC1CC([NH3+])CC(c2ccncc2NC(=O)c2ccc(C(=O)[OH])c3cc(-c4cn[nH]c4)cnc23)C1
DelComponent,Modify the molecule amine by removing a C[NH+]=C(NCc1csc(C(C)C)n1)NCc1sccc1C.,C[NH+]=C(Cc1sccc1C)NCc1csc(C(C)C)n1
LogP,Please optimize the molecule CCN(C(=O)c1cc(C)c(Br)s1)c1cccc(F)c1 to have a lower LogP value.,CCN(C(=O)c1cc(C)c(O)s1)c1cccc(F)c1
MR,Modify the molecule CC(C)(O)C#Cc1cccc(OCCNC(=O)OC(C)(C)C)c1 to decrease its MR value.,CC(C)C#Cc1cccc(OCCNC(=O)OC(C)(C)C)c1
QED,Modify the molecule CNc1c(C[NH+]2CCN(C)C(C)C2)cccc1[N+](=O)[O-] to have a lower QED value.,CNC([N+](=O)[O-])[NH+]1CCN(C)C(C)C1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COc1ccccc1C(C[NH3+])C(O)c1ccc(C)s1
BondNum,"The molecule contains 15 single bonds, 4 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",Cc1cccc(S(=O)(=O)N2CC(CCC(=O)[O-])Oc3ccc(C=Cc4ncccc4F)cc32)c1
FunctionalGroup,"The molecule has 3 benzene ring groups, and 1 ketone group.",CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(OCCCc3ccccc3)c(CC(=O)C(=O)[O-])c2)cc1
AddComponent,Please add a aldehyde to the molecule CCn1nc(C)c(Cl)c1CC(O)C[NH+](C)C.,CCn1nc(C)c(Cl)c1C(CC=O)C(O)C[NH+](C)C
SubComponent,Please substitute a hydroxyl in the molecule C=CCS(=O)(=O)NCC(C)(O)C[NH+](C)C with a thiol.,C=CCS(=O)(=O)NCC(C)(S)C[NH+](C)C
DelComponent,Remove a benzene ring from the molecule CCOc1ccc(-c2nc(=O)c3cc(Cl)ccc3[nH]2)c(O)c1.,CCOOc1nc(=O)c2cc(Cl)ccc2[nH]1
LogP,Modify the molecule Cc1onc(-c2ccc(F)cc2)c1C(=O)NCC#Cc1ccccc1 to decrease its LogP value.,Cc1onc(-c2ccc(C#N)cc2)c1C(=O)NCC#Cc1ccccc1
MR,Please modify the molecule CC(C)(C)CC1NC(C(=O)OC(=O)C(F)(F)F)C(c2cccc(Cl)c2F)C1(C#N)c1ncc(Cl)cc1F to increase its MR value.,CC(C)(C)CC1NC(C(=O)OC(=O)C(F)(F)F)C(c2cccc(Cl)c2)C1(C#N)c1ncc(Cl)cc1F
QED,Please modify the molecule COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 to decrease its QED value.,COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)c(O)c2)c1
AtomNum,"The molecule has 39 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1cccc(C(=O)NCc2ccc(F)cc2)c1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)CC1
BondNum,"There is a molecule composed of 14 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",C=CCN1CC[NH+](C(c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1
FunctionalGroup,"The molecule has 1 amide group, and 1 amine group.",Cc1cc(N)c2ccnc(C(=O)Nc3cccnc3)c2c1
AddComponent,Add a hydroxyl to the molecule Nc1nc(CC(=O)NC23CC4CC(CC(C4)C2)C3)cs1.,Nc1nc(CC(=O)NC23CC4CC(CC(C4)C2O)C3)cs1
SubComponent,Please substitute a halo in the molecule COCc1c(Br)cccc1NC(=O)c1sccc1C with a hydroxyl.,COCc1c(O)cccc1NC(=O)c1sccc1C
DelComponent,Remove a CS(=O)(=O)c1ccccc1NC(=O)CSC(=S)N1CCCC1 from the molecule benzene ring.,CS(=O)(=O)NC(=O)CSC(=S)N1CCCC1
LogP,Modify the molecule O=C(Nc1cc(F)ccc1F)NC1(CO)CCCC1 to have a lower LogP value.,O=C(Nc1cc(C(=O)[OH])ccc1F)NC1(CO)CCCC1
MR,Optimize the molecule COc1ccccc1SCC(=O)Cc1ccccc1F to have a lower MR value.,COSCC(=O)Cc1ccccc1F
QED,Modify the molecule CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(Cc4ccc(Cl)cc4)c4ccccc4c3=O)CC2)c1 to have a lower QED value.,CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(Cc4ccc(NO)cc4)c4ccccc4c3=O)CC2)c1
AtomNum,"There is a molecule with 16 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 1 silicon atom.",CSCCCCC[NH2+]Cc1ccc([Si](C)(C)C)cc1
BondNum,"Please generate a molecule composed of 9 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1c(CCC=O)ccc(C(C)(C)C)c1C
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, and 1 halo group.",CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Cc1coc(-c2ccccc2)n1
AddComponent,Modify the molecule O=C(Nc1nc(-c2cc(O)ccc2O)cs1)c1c(F)cccc1F by adding a hydroxyl.,O=C(Nc1nc(-c2cc(O)cc(O)c2O)cs1)c1c(F)cccc1F
SubComponent,Substitute a CCCCCCCCCCCCCCCC[NH2+]Cc1cccc(Cl)c1 in the molecule halo with a thiol.,CCCCCCCCCCCCCCCC[NH2+]Cc1cccc(S)c1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(C(=O)C2CCCCC2)cc1.,CC(=O)C1CCCCC1
LogP,Optimize the molecule Fc1ccc(Nc2c(-c3ccccc3F)nc3cccc(C(F)(F)F)n23)cc1 to have a lower LogP value.,FNc1c(-c2ccccc2F)nc2cccc(C(F)(F)F)n12
MR,Please modify the molecule COC(=O)C1(OC2C(C)C(OC(C)=N)OC(COC(=O)c3ccccc3)C2OC2OC(COC(=O)c3ccccc3)C(C)(C)C(C)C2NC(C)=O)CC(C)C(C)C(C(C)C(COC(C)=O)OC(C)=O)O1 to decrease its MR value.,COC(=O)C1(OC2C(C)C(OC(C)=N)OC(COC(=O)c3ccccc3)C2OC2OC(COC=O)C(C)(C)C(C)C2NC(C)=O)CC(C)C(C)C(C(C)C(COC(C)=O)OC(C)=O)O1
QED,Please modify the molecule Cc1oc2ncn(C)c(=O)c2c1C(=O)OCc1ccccc1C#N to increase its QED value.,Cc1oc2ncn(C)c(=O)c2c1C(=O)OCc1ccccc1
AtomNum,"The molecule has 8 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 5 fluorine atoms, 1 chlorine atom, and 1 bromine atom.",O=S(=O)(Cl)c1c(C(F)(F)F)cc(C(F)F)nc1CBr
BondNum,"The molecule is composed of 13 single bonds, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C[NH+]2CCC(N(C)CC#N)C2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amide group.",CN(CCCCc1ccccc1)C(=O)C[NH2+]C1CC1
AddComponent,Add a amine to the molecule CC(Nc1ncnc(N)c1Br)C(N)=O.,CC(Nc1nc(N)nc(N)c1Br)C(N)=O
SubComponent,Substitute a halo in the molecule Cn1ccnc1Cn1c(CCCl)nc2cc(I)ccc21 with a nitro.,Cn1ccnc1Cn1c(CCNO)nc2cc(I)ccc21
DelComponent,Modify the molecule Cc1cc(C)c(N2CCC[NH2+]C(C)C2=O)c(Cl)c1 by removing a halo.,Cc1ccc(N2CCC[NH2+]C(C)C2=O)c(C)c1
LogP,Please modify the molecule CC([NH2+]CCCO)C1CC2CCC1C2 to increase its LogP value.,CC([NH2+]CCCI)C1CC2CCC1C2
MR,Please modify the molecule CCNC(NCc1ncc(C)s1)=[NH+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 to decrease its MR value.,CCNC(Cc1ncc(C)s1)=[NH+]Cc1cccc(C[NH+]2CCC(C)CC2)c1
QED,Modify the molecule COC(C)(C)CCOc1c(C)cc(C(N)=S)cc1C to have a lower QED value.,COC(C)(C)CCOc1c(C)cc(C=S)cc1C
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",N#Cc1ccc(COC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)cc1
BondNum,"The molecule is composed of 12 single bonds, 2 double bonds, and 3 rotatable bonds.",O=C([O-])C1([NH2+]C2C=CCCC2)CC1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ester group, 2 amide groups, and 1 halo group.",CCOC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(C)cc2Br)cc1
AddComponent,Modify the molecule COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCC[NH+]2CCN(C)CC2)n1 by adding a hydroxyl.,COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2O)nc(OCC[NH+]2CCN(C)CC2)n1
SubComponent,Please substitute a halo in the molecule COC(C)(C)C(C)=NOC(=O)N(C)SC(Cl)(Cl)Cl with a aldehyde.,CC(=O)C(Cl)(Cl)SN(C)C(=O)ON=C(C)C(C)(C)OC
DelComponent,Remove a halo from the molecule CC(C)c1ccc(C(=O)COCc2cccc(Cl)c2)cc1.,CC(C)c1ccc(C(=O)COCc2ccccc2)cc1
LogP,Optimize the molecule Nc1ccc(Nc2cccc(OCCc3ccccc3)c2)c(N)c1 to have a higher LogP value.,Nc1cc(N)c(Nc2cccc(OCCc3ccccc3)c2)c(-c2ccccc2)c1
MR,Optimize the molecule Cc1cc(Br)ccc1C(O)Cc1ccc2c(c1)CCC2 to have a lower MR value.,Cc1ccccc1C(O)Cc1ccc2c(c1)CCC2
QED,Please optimize the molecule CC(O)(Cc1ccc(F)cc1)CC1CC1 to have a lower QED value.,CC(O)(Cc1ccccc1)CC1CC1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",CC(OCC(O)Cn1nnnc1C(C)(C)C)c1ccc(Cl)cc1
BondNum,"There is a molecule consisting of 22 single bonds, 1 double bond, 10 rotatable bonds, and 28 aromatic bonds.",Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(-c3ccc(C(F)(F)F)nc3)cc2)nc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amine group.",CCCCOC(=O)N1CCC(c2ccc(N)cc2)CC1
AddComponent,Modify the molecule CCc1nncn1CCNC(NCCCn1c(C)nc2ccccc21)=[NH+]Cc1ccco1 by adding a benzene ring.,Cc1nc2ccccc2n1CCCNC(NCCn1cnnc1CCc1ccccc1)=[NH+]Cc1ccco1
SubComponent,Substitute a halo in the molecule O=[N+]([O-])c1ccc(NCc2cccc(OCC(F)F)c2)c2ccncc12 with a carboxyl.,O=C([OH])C(F)COc1cccc(CNc2ccc([N+](=O)[O-])c3cnccc23)c1
DelComponent,Remove a amine from the molecule CCNC(NC(C)CC)=[NH+]CCS(=O)(=O)N1CCOCC1.,CCC(NC(C)CC)=[NH+]CCS(=O)(=O)N1CCOCC1
LogP,Modify the molecule Cc1ccccc1-n1c(SCc2nccn2C(F)F)nc2cc(Cl)ccc2c1=O to have a lower LogP value.,Cc1ccccc1-n1c(SCc2nccn2C(F)S)nc2cc(Cl)ccc2c1=O
MR,Modify the molecule CCOC(C)C(=O)NC(C)C(O)c1ccc(Cl)cc1 to have a lower MR value.,CCOC(C)C(=O)NC(C)C(O)c1ccc(O)cc1
QED,Optimize the molecule COc1ccc(N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1F to have a higher QED value.,COc1ccc(N2CCN(c3ccc(F)cc3[SH]=O)CC2)cc1F
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CNC(=O)N(C)c1ccc2c(c1)OCO2
BondNum,"There is a molecule composed of 6 single bonds, 3 double bonds, 1 rotatable bond, and 11 aromatic bonds.",C=CC1=CCc2c(ccc3oc(=O)ccc23)OC1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 1 hydroxyl group, 1 ester group, 1 amide group, and 1 halo group.",COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(C(C)C)c(C)c3)C2c2ccc(OC(C)=O)cc2)c1OC
AddComponent,Please add a benzene ring to the molecule COc1ccc2c(c1)CCn1c-2cc(OCc2cnc(Oc3ccc(F)cc3)c(F)c2)nc1=O.,COc1ccc2c(c1-c1ccccc1)CCn1c-2cc(OCc2cnc(Oc3ccc(F)cc3)c(F)c2)nc1=O
SubComponent,Substitute a hydroxyl in the molecule COc1ccc(-n2nc(C#N)c3ncn(-c4ccc(-c5ccccc5CO)cc4)c(=O)c32)cc1 with a nitrile.,COc1ccc(-n2nc(C#N)c3ncn(-c4ccc(-c5ccccc5CC#N)cc4)c(=O)c32)cc1
DelComponent,Modify the molecule benzene ring by removing a c1ccc(C[NH2+]CC2CCCCC2(C[NH2+]Cc2ccccc2)SSC2(C[NH2+]Cc3ccccc3)CCCCC2C[NH2+]Cc2ccccc2)cc1.,C[NH2+]CC1CCCCC1(C[NH2+]Cc1ccccc1)SSC1(C[NH2+]Cc2ccccc2)CCCCC1C[NH2+]Cc1ccccc1
LogP,Modify the molecule C[NH2+]CCSc1cc(C(F)(F)F)nc2ccccc12 to have a lower LogP value.,C[NH2+]CCSc1cc(C(F)(F)NO)nc2ccccc12
MR,Please optimize the molecule Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3C2c2ccccc2C)C(C)C)cc1 to have a lower MR value.,Cc1ccc(S(=O)(=O)N(C(C)C)C2(c3ccccc3C)CCc3sccc32)cc1
QED,Modify the molecule OC1(C[NH2+]CC=Cc2ccco2)CCCC1 to decrease its QED value.,NC(C=Cc1ccco1)[NH2+]CC1(O)CCCC1
AtomNum,"There is a molecule consisting of 23 carbon atoms, 6 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc(NN3CN([O-])CN(Cl)C3)c21
BondNum,"Please generate a molecule consisting 31 single bonds, 2 double bonds, 26 rotatable bonds, and 46 aromatic bonds.",CCCCCCCCCCC1(CCCCCCCCCC)c2cc(C=Cc3ccc(-c4nc5ccccc5s4)cc3)ccc2-c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
FunctionalGroup,"The molecule consists of 1 amide group, 1 halo group, and 1 sulfide group.",O=C(c1ccoc1)N1CC[NH+](Cc2sc3ccccc3c2Cl)CC1
AddComponent,Add a benzene ring to the molecule OCC1CC[NH+](Cc2ccc3ncccc3c2)CC1.,OCC1CC[NH+](Cc2ccc3ncc(-c4ccccc4)cc3c2)CC1
SubComponent,Substitute a Cc1cc(C(=O)Nc2ccc(F)cc2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 in the molecule halo with a carboxyl.,Cc1cc(C(=O)Nc2ccc(C(=O)[OH])cc2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1
DelComponent,Remove a CC(C(=O)Nc1ccc(Br)cc1Br)[NH+](C)Cc1ccccc1F from the molecule halo.,CC(C(=O)Nc1ccc(Br)cc1Br)[NH+](C)Cc1ccccc1
LogP,Please optimize the molecule O=C(Nc1cc(Oc2ccccn2)cc([N+](=O)[O-])c1)c1ccc(F)cc1 to have a lower LogP value.,O=C(Nc1cc(Oc2ccc(O)cn2)cc([N+](=O)[O-])c1)c1ccc(F)cc1
MR,Modify the molecule CCCCn1c(CC)c(C)cc(C(=O)Nc2ccc(OC(=O)CC)cc2)c1=O to have a lower MR value.,CCCCn1c(CC)c(C)cc(C(=O)NOC(=O)CC)c1=O
QED,Optimize the molecule CC[NH+]=C1SC(=Cc2ccc3c(c2)CCCO3)C(=O)N1c1ccccc1C to have a lower QED value.,CC[NH+]=C1SC(=Cc2ccc3c(c2)CCC(O)O3)C(=O)N1c1ccccc1C
AtomNum,"Please generate a molecule with 23 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",COc1ccc(C([O-])=C2C(=O)C(=O)N(C3CCCC3)C2c2ccc(C)o2)cc1OC
BondNum,"The molecule consists of 13 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",O=C(CNC(=O)OCC(F)(F)F)NCCc1cccc2cccnc12
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ketone group, 1 amide group, 1 halo group, and 1 sulfide group.",CCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1
AddComponent,Modify the molecule Cc1nn(C)c(N2CC(C)C(C)C2)c1CC[NH3+] by adding a hydroxyl.,Cc1nn(CO)c(N2CC(C)C(C)C2)c1CC[NH3+]
SubComponent,Modify the molecule O=C1c2ccccc2C(=O)N1CON=[N+]([O-])N(CCO)CCO by substituting a hydroxyl with a nitro.,ONCCN(CCO)[N+]([O-])=NOCN1C(=O)c2ccccc2C1=O
DelComponent,Please remove a CCn1c(SCC2CCCCC2)nnc1-c1ccccc1Br from the molecule benzene ring.,CCn1c(Br)nnc1SCC1CCCCC1
LogP,Modify the molecule CCC([NH3+])CCCSCCO to increase its LogP value.,CCC([NH3+])CCCSCCCl
MR,Optimize the molecule CCN(CC)C(=O)c1ccc(C2c3cc(Oc4ccc(OC)cc4)c(OC)cc3CCN2C(=O)OC(C)(C)C)cc1 to have a lower MR value.,CCN(CC)C(=O)C1c2cc(Oc3ccc(OC)cc3)c(OC)cc2CCN1C(=O)OC(C)(C)C
QED,Modify the molecule CSC1(CNc2ncnc(Cl)c2N)CCC1 to have a lower QED value.,CSC1(CNc2ncnc(S)c2N)CCC1
AtomNum,"There is a molecule with 6 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CNc1scnc1C(=O)OC
BondNum,"Please generate a molecule with 11 single bonds, 5 rotatable bonds, and 24 aromatic bonds.",CC(C)(C)[Si](Oc1ccc(-c2ncc(O)cc2F)cc1)(c1ccccc1)c1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CC(C)CC(C)C4)c(C)n3n2)c(OC)c1
AddComponent,Add a nitrile to the molecule NC(=O)C1(c2ncc(Br)s2)C2C=CC(C23CC3)C1(C(N)=O)C1CC[NH2+]CC1.,N#CC1CC12C1C=CC2C(C(N)=O)(C2CC[NH2+]CC2)C1(C(N)=O)c1ncc(Br)s1
SubComponent,Please substitute a halo in the molecule Cn1ncc(C(=O)N2CCC(Oc3cc(=O)[nH]c4ccccc34)CC2)c1Cl with a nitro.,Cn1ncc(C(=O)N2CCC(Oc3cc(=O)[nH]c4ccccc34)CC2)c1NO
DelComponent,Remove a amine from the molecule CC(C)(C)S(=O)(=O)CCNCC1CCCS1(=O)=O.,CC(C)(C)S(=O)(=O)CCCC1CCCS1(=O)=O
LogP,Please modify the molecule O=c1cc2nc3n1CCC(C(F)(F)F)N3Cc1nocc1C1COCCN21 to decrease its LogP value.,O=c1cc2nc3n1CCC(C(F)F)N3Cc1nocc1C1COCCN21
MR,Optimize the molecule O=C(NCc1ccc(OCc2ccccn2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] to have a lower MR value.,O=C(NCc1ccc(OCc2ccccn2)cc1)c1cc(OCC(F)F)ccc1[N+](=O)[O-]
QED,Optimize the molecule COC(=O)C(CC(C)C)NC(=O)c1ccccc1F to have a lower QED value.,COC(=O)C(CC(C)C)NC(=O)c1ccccc1
AtomNum,"The molecule has 18 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, 2 fluorine atoms, and 1 chlorine atom.",Nc1ncnc(Nc2ccc(OCc3cc(F)cc(F)c3)c(Cl)c2)c1C=NO
BondNum,"The molecule contains 15 single bonds, and 8 rotatable bonds.",C[NH2+]C(C)C(C)(C)C[NH+](CCCO)C(C)C
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 1 amide group.",CN(C(=O)COc1ccccc1)c1ccc(CC(=O)[O-])cc1
AddComponent,Please add a amine to the molecule CCCCCCCC(=O)N(CC[NH+]1CCN(C(=O)CCCC)CC1)Cc1ccc(F)cc1.,CCCCCCCC(=O)N(Cc1ccc(F)cc1)C(N)C[NH+]1CCN(C(=O)CCCC)CC1
SubComponent,Substitute a hydroxyl in the molecule CC(C)(NC(=O)C1C(C)(C)C1(C)C)C(N)=[NH+]O with a aldehyde.,CC(=O)[NH+]=C(N)C(C)(C)NC(=O)C1C(C)(C)C1(C)C
DelComponent,Remove a benzene ring from the molecule NC(=S)c1c(F)cccc1NCc1ccoc1.,NC(=S)N(F)Cc1ccoc1
LogP,Optimize the molecule CCC(C(=O)NCc1ccccc1-n1ccnc1)N(c1ccc(F)cc1)S(C)(=O)=O to have a lower LogP value.,CCC(C(=O)NCc1ccccc1-n1ccnc1)N(F)S(C)(=O)=O
MR,Modify the molecule CC(=O)Oc1ccc(C=NNC(=O)C(C)Oc2cccc(Cl)c2)c(OC(C)=O)c1 to have a higher MR value.,CC(=O)Oc1ccc(C(O)=NNC(=O)C(C)Oc2cccc(Cl)c2)c(OC(C)=O)c1
QED,Modify the molecule COc1ccc(NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 to have a lower QED value.,COc1ccc(NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2-c2ccccc2)c(OC)c1
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(-n2c(SC(C)C(=O)N3CCCC3)nnc2-c2ccncc2)cc1C
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC1CCC[NH2+]C1C(=O)Nc1cccc(F)c1I
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",CCc1ccccc1C[NH+]1CCC([NH+]2CCCC(C(=O)NC3CC3)C2)CC1
AddComponent,Modify the molecule CCc1n[nH]c(=S)n1C1CCOC1C1CC1 by adding a benzene ring.,CCc1n[nH]c(=S)n1C1CC(c2ccccc2)OC1C1CC1
SubComponent,Please substitute a hydroxyl in the molecule OC(c1ccc(Br)s1)c1cc(Cl)ccc1Br with a halo.,Clc1ccc(Br)c(C(I)c2ccc(Br)s2)c1
DelComponent,Please remove a CC[NH+]1CCc2c(-c3ccccc3)cc(I)c(O)c2C1 from the molecule hydroxyl.,CC[NH+]1CCc2c(cc(I)cc2-c2ccccc2)C1
LogP,Modify the molecule CC[NH2+]Cc1ccc(Sc2ccoc2C)c(C#N)c1 to decrease its LogP value.,CC[NH2+]Cc1ccc(Sc2ccoc2C)c(NO)c1
MR,Modify the molecule O=C(Nc1cc(Cl)ccc1Cl)C1CCCN1C(=O)c1cnccn1 to increase its MR value.,O=CCc1cnc(C(=O)N2CCCC2C(=O)Nc2cc(Cl)ccc2Cl)cn1
QED,Please optimize the molecule CCC(=O)Nc1ccc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(N)=O)c3C)CC2)C(C)C)cc1C to have a higher QED value.,CCC(=O)N(C)NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C(N)=O)c2C)CC1)C(C)C
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 3 oxygen atoms, 5 fluorine atoms, and 1 chlorine atom.",COc1cc(Cl)ccc1OC(=O)C(F)(F)C(F)(F)F
BondNum,"The molecule has 16 single bonds, 2 double bonds, 10 rotatable bonds, and 22 aromatic bonds.",CCn1c(=O)n(CCCO)c(=O)c2c1nc(Oc1cccc(OC(C)(F)F)c1)n2Cc1ccc(Cl)cc1
FunctionalGroup,"There is a molecule with 1 amide group, and 1 sulfide group.",O=C(NC1(c2nccs2)COC1)c1cc(OCC2CC2)c(C2CC2)cn1
AddComponent,Please add a hydroxyl to the molecule COC(=O)C(Br)C[NH+](C)CCc1ccccc1.,COC(=O)C(Br)C[NH+](C)CCc1ccc(O)cc1
SubComponent,Modify the molecule hydroxyl by substituting a CC(=O)NC1CC(CCCO)C[NH+](C(C)C)C1 with a nitrile.,CC(=O)NC1CC(CCCC#N)C[NH+](C(C)C)C1
DelComponent,Please remove a amine from the molecule CCC(SC(N)=[NH2+])c1ccnn1C.,CCC(SCN)c1ccnn1C
LogP,Optimize the molecule COc1ccc(CCC(=O)Nc2ccc3c(c2)CCN3C(=O)c2ccoc2)cc1Br to have a higher LogP value.,COc1ccc(Cc2ccc3c(c2)CCN3C(=O)c2ccoc2)cc1Br
MR,Please optimize the molecule CCCCCCCCN(C(=O)Sc1nnc(SC)s1)c1cccc2c(O)c(C(N)=O)ccc12 to have a higher MR value.,CSc1nnc(SC(=O)N(CCCCCCC(C)c2ccccc2)c2cccc3c(O)c(C(N)=O)ccc23)s1
QED,Please modify the molecule CC(C)CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 to decrease its QED value.,CC(C)Cn1nc(C(F)(F)F)cc1C1CC1
AtomNum,"The molecule has 1 carbon atom, 3 oxygen atoms, 1 sulfur atom, 2 fluorine atoms, and 1 chlorine atom.",O=S([O-])OC(F)(F)Cl
BondNum,"The molecule consists of 12 single bonds, 3 double bonds, and 1 rotatable bond.",C=C([NH3+])C1C(C)=CC2CN1C(=C)N2C
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",CC1(C)CCCN1c1c(F)cccc1CO
AddComponent,Please add a hydroxyl to the molecule COc1ccccc1COC1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1.,COc1ccccc1COC1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1O
SubComponent,Please substitute a halo in the molecule Cn1c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c(Br)c2ccccc21 with a nitro.,Cn1c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2NO)c(Br)c2ccccc21
DelComponent,Please remove a benzene ring from the molecule NC(=O)C1CCC[NH+]1Cc1ccccc1NC(=O)CCNC(=O)Nc1ccccc1.,NC(=O)NCCC(=O)Nc1ccccc1C[NH+]1CCCC1C(N)=O
LogP,Modify the molecule COCC(O)CCNc1nc(N)nc(Cl)n1 to decrease its LogP value.,COCC(O)CC(Nc1nc(N)nc(Cl)n1)C(=O)O
MR,Please modify the molecule OC(CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1)c1ccc(F)cc1 to increase its MR value.,NC(Cn1nc2c(Br)c(Br)c(Br)c(Br)c2n1)C(O)c1ccc(F)cc1
QED,Please modify the molecule COC(=O)C(NC(=O)N1C(=O)C2(c3cc(C#CC[NH+](C)Cc4ccccc4)ccc31)C(C(=O)N1CCc3cc(OC)c(OC)cc3C1)C1C(=O)OC(c3ccccc3)C(c3ccccc3)[NH+]1C2c1cccc(OCCO)c1)C(C)C to decrease its QED value.,COC(=O)C(NC(=O)N1C(=O)C2(c3cc(C#CC[NH+](C)Cc4ccccc4)ccc31)C(C(=O)N1CCc3cc(OC)c(OC)cc3C1)C1C(=O)OC(c3ccccc3)C(c3ccccc3)[NH+]1C2c1cccc(OCCS)c1)C(C)C
AtomNum,"The molecule consists of 13 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",COC1CC(NC(=O)c2ccc(NN)c(C(F)(F)F)c2)C1
BondNum,"There is a molecule with 15 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)OC(=O)N1CCC(CF)C1c1ccccc1N
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, and 1 amide group.",COC(=O)CN(C(=O)c1cccc(C#CC[NH3+])c1)C(C)C
AddComponent,Modify the molecule O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1nccs1 by adding a benzene ring.,O=C(COc1cc2oc(=O)cc(-c3ccc(-c4ccccc4)cc3)c2cc1Cl)Nc1nccs1
SubComponent,Modify the molecule halo by substituting a CN(O)C(=O)c1ccccc1Cl with a carboxyl.,CN(O)C(=O)c1ccccc1C(=O)[OH]
DelComponent,Please remove a amine from the molecule CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(N(CC)Cc2ccccc2)cc1.,CCOC(=O)C1=C(C)c2[nH]c(=O)[nH]c(=O)c2C1c1ccc(N(CC)Cc2ccccc2)cc1
LogP,Please modify the molecule CCOc1ccc(NC(=O)NCC(O)c2cc(OC)ccc2OC)cc1 to increase its LogP value.,CCOc1ccc(NC(=O)NCC(S)c2cc(OC)ccc2OC)cc1
MR,Please optimize the molecule Cc1cc2[nH]c(OC(=O)NC(Cc3ccccc3)C(=O)N3CC(O)C(O)C3)cc2s1 to have a lower MR value.,Cc1cc2[nH]c(OC(=O)NC(C)C(=O)N3CC(O)C(O)C3)cc2s1
QED,Optimize the molecule C=C1C(=O)[NH+]=C(n2nc(C(C)(C)C)cc2NC(=O)c2ccc(C#N)cc2)N=C1C to have a lower QED value.,C=C1C(=O)[NH+]=C(n2nc(C(C)(C)C)cc2NC(=O)c2ccc(NO)cc2)N=C1C
AtomNum,"The molecule consists of 14 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cc1nn(C)c(N2CC[NH+](C(C)(C)C)CC2)c1C(N)=[NH+]O
BondNum,"There is a molecule composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",CSc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 5 amide groups.",CC(C)CC1NC(=O)CC(C(=O)NCCCn2ccnc2)NC(=O)c2ccccc2OCC(Cc2ccccc2)NC(=O)CN(C)C1=O
AddComponent,Add a benzene ring to the molecule CC(C)SCc1noc(-c2sccc2O)n1.,CC(C)(SCc1noc(-c2sccc2O)n1)c1ccccc1
SubComponent,Please substitute a nitrile in the molecule N#CC1CCCNC(=O)C1N with a aldehyde.,CC(=O)C1CCCNC(=O)C1N
DelComponent,Modify the molecule halo by removing a O=C(Nc1ccccc1CBr)c1ccc(F)cc1F.,O=C(Nc1ccccc1CBr)c1ccccc1F
LogP,Optimize the molecule C[NH+]=C(NCCc1c(C)[nH]c2ccccc12)NCCS(=O)c1ccccc1 to have a lower LogP value.,C[NH+]=C(NCCc1c(C)[nH]c2ccccc12)NCCS(=O)c1ccccc1C#N
MR,Modify the molecule CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 to decrease its MR value.,CC(C)Oc1ccccc1S(=O)(=O)c1ccc(C(=O)[O-])cc1
QED,Optimize the molecule C=CC=CCc1ccc(O)cc1 to have a lower QED value.,C=CC=CCc1ccccc1
AtomNum,"The molecule has 10 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCC(C)NC(=O)C(=O)NCC(C)C
BondNum,"Please generate a molecule composed of 17 single bonds, 3 double bonds, and 7 rotatable bonds.",CCC[NH2+]C(C)(CC(C)N1C(=O)CCC1=O)C(=O)OC
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, 1 amide group, and 3 halo groups.",CC(CO)NC(=O)C(F)(F)F
AddComponent,Modify the molecule CCCc1cc(CCl)cc(N(CC)Cc2ccccn2)n1 by adding a hydroxyl.,CCCc1cc(CCl)cc(N(CC)Cc2ncccc2O)n1
SubComponent,Please substitute a halo in the molecule Cc1cc(C(=O)NC2CCCCC2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)CC1 with a carboxyl.,Cc1cc(C(=O)NC2CCCCC2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2cc(C(=O)[OH])ccc2C(=O)N2CCCC2)CC1
DelComponent,Please remove a halo from the molecule Cc1ncccc1C(=O)NCC1CCCC(Br)C1.,Cc1ncccc1C(=O)NCC1CCCCC1
LogP,Optimize the molecule CC(C(=O)[O-])c1cc(C2CCC2)n(C)n1 to have a higher LogP value.,CC(C(=O)[O-])c1nn(C)c(C2CCC2)c1S
MR,Optimize the molecule COc1ccc(C2SC(=Cc3cccc([N+](=O)[O-])c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 to have a higher MR value.,COc1ccc(C2SC(=Cc3cccc([N+](=O)[O-])c3)C(=O)N2NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
QED,Modify the molecule CCNc1nc(SC)nc(C(Cl)(Cl)Cl)n1 to decrease its QED value.,CCNc1nc(SC)nc(C(Cl)Cl)n1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",CCNC(=O)N1Cn2c(c[nH+]c2-c2ccccc2F)-c2ccccc21
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 6 rotatable bonds, and 5 aromatic bonds.",CC(CO)SCC(=O)N(C)Cc1cccs1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 1 nitro group.",[NH3+]CCc1ccc(OCCc2ccccc2[N+](=O)[O-])cc1
AddComponent,Please add a hydroxyl to the molecule Cc1cncc(CNC(=O)CCN2CCCS2(=O)=O)c1.,Cc1cncc(C(O)NC(=O)CCN2CCCS2(=O)=O)c1
SubComponent,Substitute a halo in the molecule Fc1cc(-c2c(Cl)ccc(Cl)c2Cl)ccn1 with a hydroxyl.,Oc1cc(-c2c(Cl)ccc(Cl)c2Cl)ccn1
DelComponent,Please remove a amine from the molecule CCNC(NCc1ncnn1C)=[NH+]Cc1coc(-c2ccc(C)cc2)n1.,CCNC(Cc1coc(-c2ccc(C)cc2)n1)NCc1ncnn1C
LogP,Please modify the molecule COc1ccccc1CCNc1cc[nH+]c(C(=O)N2CCc3ccccc32)c1 to increase its LogP value.,COc1ccccc1CCc1cc[nH+]c(C(=O)N2CCc3ccccc32)c1
MR,Modify the molecule Cc1c(C(=O)OC(C)C)sc2[nH+]c(-c3ccc([N+](=O)[O-])cc3)cn12 to decrease its MR value.,Cc1c(C(=O)OC(C)C)sc2[nH+]c([N+](=O)[O-])cn12
QED,Optimize the molecule O=C(c1ccnc(N2CCc3ccccc3C2)c1)N1CCN(c2ccccn2)CC1 to have a higher QED value.,O=C(c1cc(O)nc(N2CCc3ccccc3C2)c1)N1CCN(c2ccccn2)CC1
AtomNum,"The molecule contains 20 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 fluorine atom.",COc1cccc(CNS(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)cs2)c1
BondNum,"Please generate a molecule composed of 3 single bonds, 2 double bonds, 2 rotatable bonds, and 11 aromatic bonds.",NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ester group, and 1 halo group.",Cn1cc(CC(=O)OCc2cc(-c3ccccc3F)on2)c2ccccc21
AddComponent,Add a benzene ring to the molecule COCC#CC1OC(C)(C)C=CC1(C)C.,COCC#CC1OC(C)(Cc2ccccc2)C=CC1(C)C
SubComponent,Modify the molecule halo by substituting a CC1C[NH+](C(C)C(=O)Nc2ccc(Cl)c(N)c2)CCO1 with a carboxyl.,CC1C[NH+](C(C)C(=O)Nc2ccc(C(=O)[OH])c(N)c2)CCO1
DelComponent,Modify the molecule benzene ring by removing a CC12CCC(C(Cc3ccc(Cl)cc3Cl)C1=O)C2(C)C.,CC12CCC(C(C(Cl)Cl)C1=O)C2(C)C
LogP,Modify the molecule CCCC(C)(O)c1ccc(C)s1 to increase its LogP value.,CCCC(C)c1ccc(C)s1
MR,Please modify the molecule Fc1cc(-c2noc(CNc3cccc(Br)c3)n2)cc(F)c1F to increase its MR value.,Fc1ccc(-c2noc(CNc3cccc(Br)c3)n2)cc1F
QED,Please optimize the molecule O=C([O-])c1c(Cl)cccc1N1CCCC1=O to have a lower QED value.,CCc1cccc(Cl)c1C(=O)[O-]
AtomNum,"The molecule has 10 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC(=O)c1c(C)[nH]c(CC(=O)[O-])c1C
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",C[NH+]1CCN(c2ncc(C(=O)Nc3cccc(Cl)c3Cl)cn2)CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 4 halo groups.",C[NH2+]C(c1cc(F)c(Br)cc1F)c1ccoc1Br
AddComponent,Please add a amine to the molecule [NH3+]C1CN(C(=O)NC2CCC[NH2+]C2)CC1c1ccccc1.,NC1CCC(NC(=O)N2CC([NH3+])C(c3ccccc3)C2)C[NH2+]1
SubComponent,Modify the molecule halo by substituting a CCC(NC(=O)c1ccc(-c2cc(-c3c[nH+]c(C)n3C)cnc2N)cc1F)c1ccccc1 with a aldehyde.,CC(=O)c1cc(-c2cc(-c3c[nH+]c(C)n3C)cnc2N)ccc1C(=O)NC(CC)c1ccccc1
DelComponent,Modify the molecule halo by removing a C[NH+](C)C(CNC(=O)C1CCCC1)c1cccc(F)c1.,C[NH+](C)C(CNC(=O)C1CCCC1)c1ccccc1
LogP,Please optimize the molecule Cc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 to have a lower LogP value.,Cc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)c(C#N)c1
MR,Modify the molecule CC(C)c1cc(C(=O)Nc2ccn(-c3ccccc3)n2)c2ccccc2n1 to increase its MR value.,CC(C)c1cc(C(=O)Nc2ccn(-c3ccccc3)n2)c2c(N)cccc2n1
QED,Please optimize the molecule COc1cccc(CNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1 to have a lower QED value.,COc1cccc(CNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(S)cc2)c1
AtomNum,"The molecule contains 22 carbon atoms, 2 oxygen atoms, and 13 fluorine atoms.",Cc1cc(F)c(C(F)(F)Oc2cc(F)c(-c3cc(F)c(C(F)(F)OC(F)(F)F)c(F)c3)c(F)c2)c(F)c1
BondNum,"Please generate a molecule with 36 single bonds, 7 double bonds, 1 triple bond, 17 rotatable bonds, and 18 aromatic bonds.",CC(=O)OC1C(COP(OCCC#N)Oc2ccc(CC(NC(=O)OC(C)(C)C)C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)OC(n2cc(F)c(=O)[nH]c2=O)C1OC(C)=O
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 amide groups.",Cc1ccc(CN2C(=O)CCC2C(=O)NCC2C[NH2+]C2)cc1
AddComponent,Please add a amine to the molecule Nc1ccccc1OCCC(=O)N1CCCC1.,Nc1cccc(OCCC(=O)N2CCCC2)c1N
SubComponent,Please substitute a COc1ccc(C(C)NC(=O)Cn2ccc(=O)n(C)c2=O)cc1F in the molecule halo with a nitro.,COc1ccc(C(C)NC(=O)Cn2ccc(=O)n(C)c2=O)cc1NO
DelComponent,Modify the molecule halo by removing a O=C(NCc1ccc(OCC(F)(F)F)nc1)c1c(O)c(Cl)cc(Cl)c1Cl.,O=C(NCc1ccc(OCC(F)(F)F)nc1)c1c(Cl)ccc(Cl)c1O
LogP,Please modify the molecule N#CC1(C2(O)CCC(=O)CC2)CCCC1 to increase its LogP value.,N#CC1(C2(O)CCC(=O)CC2)CCC(c2ccccc2)C1
MR,Modify the molecule CC(C)(C)CC(C(=O)OCCOC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(C)(C)C to have a higher MR value.,CC(C)(C)CC(C(=O)OCCOC(=O)C1(S)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(C)(C)C
QED,Modify the molecule C=CCC(CC=C)(COC(=O)C(C)(C)Br)COC(=O)C(C)(C)Br to decrease its QED value.,C=CCC(CC=C)(COC(=O)C(C)(C)S)COC(=O)C(C)(C)Br
AtomNum,"The molecule consists of 15 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCC1CC(C(=O)NCC(O)C2CCOCC2)CC(=O)N1
BondNum,"The molecule consists of 6 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ncn(Cc2cc(NN)ccn2)c(=O)c1Br
FunctionalGroup,"There is a molecule with 1 benzene ring group, 3 halo groups, and 1 sulfide group.",CC(C)(C)Oc1ccc2c(c1)CC[NH+](Cc1nc(-c3ccc(C(F)(F)F)cc3)cs1)C2
AddComponent,Please add a benzene ring to the molecule O=C1N(Cc2nccs2)CCN1C1CC[NH2+]CC1.,O=C1N(Cc2nccs2)CCN1C1CC[NH2+]CC1c1ccccc1
SubComponent,Substitute a CCCCC(CN(O)C=O)C(=O)NCC(=O)CC([NH3+])c1ccc(C#N)cc1 in the molecule hydroxyl with a nitro.,CCCCC(CN(C=O)NO)C(=O)NCC(=O)CC([NH3+])c1ccc(C#N)cc1
DelComponent,Remove a benzene ring from the molecule CC1CCCCC1(C[NH3+])NS(=O)(=O)C=Cc1ccccc1.,C=CS(=O)(=O)NC1(C[NH3+])CCCCC1C
LogP,Optimize the molecule CCC(C)(O)C(O)Cc1cc(F)ccc1C to have a higher LogP value.,CCC(C)(O)C(O)Cc1cc(F)cc(-c2ccccc2)c1C
MR,Please optimize the molecule CC(=O)N1CCCC1CNC(=O)CC(=O)[O-] to have a lower MR value.,CC(=O)N1CCCC1CC(=O)[O-]
QED,Modify the molecule Cc1csc(NC(=O)c2cccc(C#N)c2)n1 to have a lower QED value.,Cc1csc(NC(=O)c2cccc(C#N)c2-c2ccccc2)n1
AtomNum,"There is a molecule with 16 carbon atoms, and 2 nitrogen atoms.",CCCC(C)CC(NN)c1ccc2c(c1)CCC2
BondNum,"The molecule consists of 17 single bonds, 1 double bond, and 7 rotatable bonds.",CC(C)COC1CC([NH2+]CC(O)C(N)=O)C1(C)C
FunctionalGroup,The molecule is composed of and 1 sulfone group.,CN(Cc1cn(C)nn1)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2
AddComponent,Modify the molecule N#CC1CCCCC1N(CCO)Cc1ccccc1 by adding a benzene ring.,N#CC1C(c2ccccc2)CCCC1N(CCO)Cc1ccccc1
SubComponent,Please substitute a CCOc1cc(C=C2C(=O)N(CC(=O)OC)C(=S)N2C)cc(Br)c1O in the molecule hydroxyl with a nitrile.,CCOc1cc(C=C2C(=O)N(CC(=O)OC)C(=S)N2C)cc(Br)c1C#N
DelComponent,Please remove a halo from the molecule O=C(Nc1cnn(Cc2ccccc2F)c1)C1CCC1.,O=C(Nc1cnn(Cc2ccccc2)c1)C1CCC1
LogP,Modify the molecule O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC(N2CC[NH2+]CC2)C1 to decrease its LogP value.,O=S(=O)(c1cc(OC(F)(F)F)ccc1O)N1CCC(N2CC[NH2+]CC2)C1
MR,Please modify the molecule C=CCC([NH3+])C(=O)N(C)CCOc1ccc(OC)cc1 to decrease its MR value.,C=CC([NH3+])C(C)COc1ccc(OC)cc1
QED,Please optimize the molecule COC(=O)C(Nc1cc(C)cc(F)c1)C1CCCCCC1 to have a lower QED value.,COC(=O)C(Nc1cccc(C)c1)C1CCCCCC1
AtomNum,"The molecule has 18 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCOc1ccc(NC(=O)COC(=O)c2ccccc2C)cc1
BondNum,"There is a molecule composed of 8 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(C[NH2+]C(C)C)c(Cc2nccs2)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 nitrile group, and 1 sulfone group.",N#Cc1ccc(S(=O)(=O)N2CCC([NH+]3CC(OCC4CC4)C34CCOCC4)CC2)cc1
AddComponent,Add a benzene ring to the molecule CCCCCCCCC(=O)N(CCOC)CC(=O)N1CCc2sccc2C1c1ccccc1C.,CCCCCCCCC(=O)N(CC(=O)N1CCc2sccc2C1c1ccccc1C)CC(OC)c1ccccc1
SubComponent,Substitute a CCC(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)Nc4cc(F)ccc4C)cc3C)CC2)cc1C in the molecule halo with a thiol.,CCC(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)Nc4cc(S)ccc4C)cc3C)CC2)cc1C
DelComponent,Remove a hydroxyl from the molecule CCOC(=O)c1cnc(C(C)(O)COS(C)(=O)=O)cn1.,CCOC(=O)c1cnc(C(C)COS(C)(=O)=O)cn1
LogP,Modify the molecule CCCC(=O)NCC(=O)Nc1cccc(C(C)=O)c1 to increase its LogP value.,CCCC(=O)Nc1cccc(C(C)=O)c1
MR,Optimize the molecule COc1cc(C2CCC[NH2+]C2)ccc1OC1CSC1 to have a lower MR value.,COC1(OC2CSC2)CCC[NH2+]C1
QED,Modify the molecule Cc1nc(CNc2ccccc2Cl)oc1C to decrease its QED value.,Cc1nc(CNc2ccccc2C#N)oc1C
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Clc1ccc(CCNc2nccc3sccc23)cc1
BondNum,"The molecule consists of 11 single bonds, 3 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CCOc1cccc(C=NNC(=O)c2cccn(Cc3ccc(OC)cc3)c2=O)c1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 nitro group, and 3 halo groups.",CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1
AddComponent,Add a benzene ring to the molecule C[NH2+]CCC[NH+](C)CCC(=O)NC1CC1.,C[NH2+]CCC[NH+](C)CC(C(=O)NC1CC1)c1ccccc1
SubComponent,Please substitute a O=C([O-])C1(Cc2ccc(F)c(F)c2)CC2CCC1O2 in the molecule halo with a nitro.,ONc1ccc(CC2(C(=O)[O-])CC3CCC2O3)cc1F
DelComponent,Please remove a halo from the molecule CCn1c2ccc(F)cc2c2nnc(SCCC[NH+](C)C)nc21.,CCn1c2ccccc2c2nnc(SCCC[NH+](C)C)nc21
LogP,Modify the molecule C=CC[NH+](C(C)C)C(C)CCC[NH2+]CC(C)C to have a lower LogP value.,C=CC[NH+](C(C)CCC[NH2+]CC(C)C)C(C)CC(=O)O
MR,Modify the molecule Nc1c(-c2ccccn2)nc2ccc(C(F)(F)F)cn12 to decrease its MR value.,Nc1c(-c2ccccn2)nc2ccc(C(F)F)cn12
QED,Optimize the molecule C#CCCCNN1C(C)CCCC1C to have a lower QED value.,C#CCCCN1C(C)CCCC1C
AtomNum,"The molecule consists of 13 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",COC(=O)Cc1csc(NN=Cc2ccc(Cl)cc2Cl)n1
BondNum,"There is a molecule composed of 21 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",N=C(CC(=NCC(F)F)C1=C2CC(O)CC21)c1cnc(N)c(OC(F)(F)F)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 3 amine groups, 3 halo groups, and 1 sulfide group.",Nc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1Nc1nc2ccccc2s1
AddComponent,Modify the molecule COc1ccc(NC(=O)OC(C)(C)C)c(N)c1 by adding a hydroxyl.,CC(C)(C)OC(=O)Nc1ccc(OCO)cc1N
SubComponent,Modify the molecule halo by substituting a C[NH2+]CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F with a aldehyde.,CC(=O)C(F)(CCC[NH2+]C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
DelComponent,Modify the molecule CC(OC(C)(C)C(=O)[O-])c1cccc(CCCCn2cc(-c3ccccn3)[nH+]c2C(=O)c2ccc(-c3ccccn3)cc2)c1 by removing a benzene ring.,CC(OC(C)(C)C(=O)[O-])c1cccc(CCCCn2cc(-c3ccccn3)[nH+]c2C(=O)c2ccccn2)c1
LogP,Modify the molecule CN(C)c1cccc(CC(C)(CCCCc2noc(C(F)(F)F)n2)C(N)=O)c1 to decrease its LogP value.,CN(C)c1cccc(CC(C)(CCCCc2noc(C(F)F)n2)C(N)=O)c1
MR,Please optimize the molecule Cc1cc(F)c(C(=O)N(C)C2CCC2)cc1S(N)(=O)=O to have a higher MR value.,Cc1cc(NO)c(C(=O)N(C)C2CCC2)cc1S(N)(=O)=O
QED,Please modify the molecule COc1cc(Br)c(C[NH2+]C2CCS(=O)(=O)CC2)cc1OC to increase its QED value.,COc1ccc(C[NH2+]C2CCS(=O)(=O)CC2)cc1OC
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",Cc1ccccc1CCN(C)C(=O)C(C)O
BondNum,"There is a molecule consisting of 8 single bonds, 1 double bond, 7 rotatable bonds, and 23 aromatic bonds.",O=C(CSc1nnc(Cc2ccccc2)o1)N(c1ccccc1)c1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 halo group, and 1 sulfide group.",COc1ccc(Cl)cc1CC(C[NH3+])c1nc(C(C)(C)C)cs1
AddComponent,Modify the molecule C=CC=CCCOc1ccc(C(O)(c2ccccc2)c2ccc(OCCC3C=CCc4c3c(O)n(C)c4O)cc2)cc1 by adding a aldehyde.,C=CC(=CCCOc1ccc(C(O)(c2ccccc2)c2ccc(OCCC3C=CCc4c3c(O)n(C)c4O)cc2)cc1)CC=O
SubComponent,Substitute a hydroxyl in the molecule O=CNc1ccc(B(O)O)cc1[N+](=O)[O-] with a halo.,O=CNc1ccc(B(O)F)cc1[N+](=O)[O-]
DelComponent,Remove a CC(=O)Nc1cccc(N)c1O from the molecule hydroxyl.,CC(=O)Nc1cccc(N)c1
LogP,Modify the molecule COC(=O)CNC(=O)C1CCCN1C(=O)c1cc2cc(F)ccc2[nH]1 to have a lower LogP value.,COC(=O)CNC(=O)C1CCCN1C(=O)c1cc2ccccc2[nH]1
MR,Please optimize the molecule CC(C)(C)C(NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCC(=O)Nc1ccccn1 to have a higher MR value.,CC(C)(C)C(NC(=O)c1nn(Cc2ccc(C(=O)[OH])cc2)c2ccccc12)C(=O)NCC(=O)Nc1ccccn1
QED,Modify the molecule NC(=O)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1 to increase its QED value.,NC(=O)C1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
AtomNum,"Please generate a molecule with 26 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",COc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)C2c2ccc(Cl)cc2)c1OC
BondNum,"There is a molecule consisting of 19 single bonds, 2 double bonds, and 9 rotatable bonds.",CC(CCNC(=O)NCC[NH+]1CCCCC1)CCC(=O)[O-]
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 3 hydroxyl groups, 1 amide group, and 1 halo group.",CCOc1cc(C2=C(O)C(=O)N(c3cc(C)ccc3C)C2c2ccc(O)c(O)c2)cc(Cl)c1OC
AddComponent,Please add a benzene ring to the molecule O=S(=O)(Nc1cccc(F)c1F)c1ccc(Br)c(Cl)c1.,O=S(=O)(Nc1cccc(F)c1F)c1cc(Cl)c(Br)c(-c2ccccc2)c1
SubComponent,Modify the molecule CCC(=O)Oc1c(NC(=O)OC(C)(C)C)cccc1B(O)O by substituting a hydroxyl with a nitrile.,CCC(=O)Oc1c(NC(=O)OC(C)(C)C)cccc1B(O)C#N
DelComponent,Remove a benzene ring from the molecule CCCCCCCCCCCCCC=CC(OC(=O)c1ccccc1)C(CO)NC(=O)CC.,CCCCCCCCCCCCCC=CC(OC=O)C(CO)NC(=O)CC
LogP,Please modify the molecule COC(C)(C)C([NH3+])C1CCOC2(CCCC2)C1 to decrease its LogP value.,COC(C)(CCC=O)C([NH3+])C1CCOC2(CCCC2)C1
MR,Modify the molecule CCCCCNC(=O)c1cc(N2CCOCC2)ncn1 to have a lower MR value.,CCCCCn1cnc(N2CCOCC2)c-1
QED,Please optimize the molecule COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C)nc1 to have a lower QED value.,COc1ccc(S(=O)(=O)N(C)C)c(-c2ccccc2)c1NC(=O)c1ccc(C)nc1
AtomNum,"Please generate a molecule with 20 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 3 fluorine atoms.",CC1C=C(CN2Cc3cc(F)cc(F)c3C2=O)C(F)=CC1c1cnn(C)c1
BondNum,"Please generate a molecule composed of 18 single bonds, 2 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",CNC(=O)C(NC(=O)c1nc(-c2cscn2)n2c1C[NH+](C)CCC2)C(C)(C)C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ketone group, and 1 halo group.",Cc1cc(F)cc2c1CC[NH2+]C2C(=O)c1ccccc1
AddComponent,Please add a hydroxyl to the molecule C=C(C)C[NH+]1CCN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC1.,C=C(C)C[NH+]1CCN(C(=O)C(CO)N2C(=O)c3ccccc3C2=O)CC1
SubComponent,Please substitute a O=S(=O)(CCCC(F)(F)F)Nc1nccnc1Cl in the molecule halo with a aldehyde.,CC(=O)C(F)(F)CCCS(=O)(=O)Nc1nccnc1Cl
DelComponent,Remove a Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)c1 from the molecule benzene ring.,Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CNS(=O)(=O)c3ccc(F)cc3)cc2)c1
LogP,Modify the molecule CN(Cc1cccc(Cl)c1Cl)C(=O)Cn1c(-c2cccs2)n[nH]c1=S to decrease its LogP value.,CN(Cc1cccc(C#N)c1Cl)C(=O)Cn1c(-c2cccs2)n[nH]c1=S
MR,Modify the molecule Cc1cc(OCc2cc(C)c(C(=O)[O-])o2)cc(C(C)C)c1 to decrease its MR value.,Cc1cc(COC(C)(C)C)oc1C(=O)[O-]
QED,Modify the molecule Cn1ncnc1Sc1ccc(F)cc1C[NH3+] to decrease its QED value.,Cn1nc(O)nc1Sc1ccc(F)cc1C[NH3+]
AtomNum,"There is a molecule with 20 carbon atoms, 1 nitrogen atom, and 1 fluorine atom.",CC=CC1CCC2=C(CCC(c3ccc(C#N)c(F)c3)C2)C1
BondNum,"The molecule is composed of 18 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCN(CC)c1ccc(CNC(=[NH+]C)N2CCN(c3cnn(C)c3)C(=O)C2)cn1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",C=CC(=O)Nc1cc(Nc2cc3c(-c4cccc(F)c4)ccn3cn2)c(OC)cc1N(C)CC[NH+](C)C
AddComponent,Add a benzene ring to the molecule C[N+]1(CCNCCn2ccc3c(N)cccc32)CCCCC1.,C[N+]1(CCNCCn2ccc3c(N)cc(-c4ccccc4)cc32)CCCCC1
SubComponent,Substitute a halo in the molecule Cc1cc(C)c(COc2c(Cl)cccc2CC[NH3+])c(C)c1 with a thiol.,Cc1cc(C)c(COc2c(S)cccc2CC[NH3+])c(C)c1
DelComponent,Remove a Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NCCNC(=O)OC(C)(C)C)c(-c2ccccc2)n1 from the molecule benzene ring.,Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NCCNC(=O)OC(C)(C)C)cn1
LogP,Modify the molecule COC(=O)c1c(C(=O)OC)c2c3cccn3ccn2c1C(=O)c1ccccc1 to decrease its LogP value.,COC(=O)c1c(C(=O)OC)c2c3cccn3ccn2c1C=O
MR,Modify the molecule Cc1ccc(C)c(Nc2ccc(Cl)cc2C=NNC(=O)C(=O)NC2CCCC2)c1 to increase its MR value.,Cc1ccc(C)c(Nc2ccc(S)cc2C=NNC(=O)C(=O)NC2CCCC2)c1
QED,Modify the molecule COCC[NH+]1CCN(C(=O)c2csc(-c3ccc(OCc4cccc(Cl)c4)cc3)n2)CC1 to have a higher QED value.,COCC[NH+]1CCN(C(=O)c2csc(-c3ccc(OCCl)cc3)n2)CC1
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",C[NH+](C)C(C(N)=O)c1ccccc1
BondNum,"Please generate a molecule composed of 17 single bonds, and 6 rotatable bonds.",C1CC(CC[NH2+]CCN2CCC[NH2+]CC2)C1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 2 amide groups, and 3 halo groups.",COc1ccc(NC(=O)C2(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1
AddComponent,Please add a hydroxyl to the molecule O=C(NC1CCCc2ccccc21)c1ccc2nc[nH]c2c1.,O=C(NC1CCCc2ccccc21)c1cc2[nH]cnc2cc1O
SubComponent,Modify the molecule hydroxyl by substituting a CCCCN1C(=O)C(CC2(O)CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Cc3ccc(C(=O)[O-])cc3OC)cc1)CC2 with a carboxyl.,CCCCN1C(=O)C(CC2(C(=O)[OH])CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Cc3ccc(C(=O)[O-])cc3OC)cc1)CC2
DelComponent,Remove a benzene ring from the molecule CN(C)c1ccccc1-c1ccc(O)c2c1CC1CC3C([NH+](C)C)C(=O)C(C(N)=O)=C([O-])C3(O)C(=O)C1=C2[O-].,CN(C)c1ccc(O)c2c1CC1CC3C([NH+](C)C)C(=O)C(C(N)=O)=C([O-])C3(O)C(=O)C1=C2[O-]
LogP,Please modify the molecule Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(=O)[O-])O2 to increase its LogP value.,Cc1cc(C)c2c(c1C)OC(C)(CCCC(=O)[O-])CC2
MR,Modify the molecule C[NH2+]Cc1cn(Sc2cccnc2)c2cc(Nc3ccc(C(=O)OC)cc3Cl)ccc12 to have a higher MR value.,C[NH2+]Cc1cn(Sc2cccnc2)c2cc(Nc3ccc(C(=O)OC)cc3NO)ccc12
QED,Modify the molecule COC1(CNc2cccc(F)c2C(=O)[O-])CCC1 to increase its QED value.,COC1(CNc2c(-c3ccccc3)ccc(F)c2C(=O)[O-])CCC1
AtomNum,"The molecule has 18 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",Cc1ccc(OC(C)C(=O)Nc2ccc(C)c(F)c2)cc1C
BondNum,"Please generate a molecule composed of 14 single bonds, 4 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COC(=O)CN(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2C1=O
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ketone group, and 1 amide group.",O=C(CCC(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccc2c(c1)OCCO2
AddComponent,Modify the molecule CCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)cc1 by adding a carboxyl.,CCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)cc1C(=O)O
SubComponent,Please substitute a halo in the molecule CC1(C)CC(Nc2ccccc2Cl)CCO1 with a aldehyde.,CC(=O)c1ccccc1NC1CCOC(C)(C)C1
DelComponent,Modify the molecule halo by removing a CC(C)(C)NCc1[nH]c(-c2cccc(Br)c2)c[nH+]1.,CC(C)(C)NCc1[nH]c(-c2ccccc2)c[nH+]1
LogP,Please modify the molecule CC(C)c1c(CCl)cnn1-c1ccccc1Cl to decrease its LogP value.,Cc1cnn(-c2ccccc2Cl)c1C(C)C
MR,Please optimize the molecule COC1CCCC(Oc2ccc(S(N)(=O)=O)cc2Br)C1 to have a lower MR value.,COC1CCCC(Oc2ccc(S(N)(=O)=O)cc2O)C1
QED,Modify the molecule CCNC(=O)CN(CC)c1cccc(F)c1C(N)=S to decrease its QED value.,CCNC(=O)CN(CC)c1cccc(C#N)c1C(N)=S
AtomNum,"There is a molecule with 34 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 2 fluorine atoms.",Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cccc(C(=O)NC(C)C)c2C)CC1
BondNum,"The molecule contains 18 single bonds, 3 double bonds, 8 rotatable bonds, and 5 aromatic bonds.",CCC(CC)CC(NC(C)=O)C1C=C(C(=O)OC)CC1c1[nH]cc[nH+]1
FunctionalGroup,The molecule contains and 1 amide group.,CC#CC(=O)N1CCC2(CC1)CC2
AddComponent,Modify the molecule CC(C)[Si](Oc1ccc(C(F)(F)F)cc1)(Oc1ccccc1Br)C(C)C by adding a amine.,CC(C)[Si](Oc1ccc(C(F)(F)F)c(N)c1)(Oc1ccccc1Br)C(C)C
SubComponent,Please substitute a hydroxyl in the molecule CCC=CC=CC=CC=CCCCCCC(=O)OC(COC(=O)CCCCC=CCC=CCC)COP(=O)([O-])OC1C(O)C(O)C(O)C(O)C1O with a thiol.,CCC=CC=CC=CC=CCCCCCC(=O)OC(COC(=O)CCCCC=CCC=CCC)COP(=O)([O-])OC1C(O)C(O)C(O)C(O)C1S
DelComponent,Please remove a COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1 from the molecule benzene ring.,COC(=O)S(=O)(=O)N1CCN(c2ccccc2OC)CC1
LogP,Optimize the molecule Cc1c(C)c2ccc(OS(=O)(=O)c3ccc(OC(F)(F)C(F)F)cc3)cc2oc1=O to have a lower LogP value.,Cc1c(C)c2ccc(OS(=O)(=O)c3ccc(OC(F)(F)C(N)(F)F)cc3)cc2oc1=O
MR,Optimize the molecule CCc1ccccc1-n1cc(C(=O)c2cc(Br)ccc2OCC(=O)[O-])cn1 to have a lower MR value.,CCc1ccccc1-n1cc(C(=O)c2cc(S)ccc2OCC(=O)[O-])cn1
QED,Please optimize the molecule O=C1CCC=CCN(Cc2ccccc2)C(=O)C2N(C(CO)Cc3ccccc3)C(=O)C3C(C(=O)OC(c4ccccc4)CN1)C1C=CC32O1 to have a lower QED value.,ONCC(Cc1ccccc1)N1C(=O)C2C3C(=O)OC(c4ccccc4)CNC(=O)CCC=CCN(Cc4ccccc4)C(=O)C1C21C=CC3O1
AtomNum,"There is a molecule with 18 carbon atoms, and 3 nitrogen atoms.",CCC([NH3+])CCc1c(C)n(CC)c2cc3c(cc12)C[NH2+]C3
BondNum,"There is a molecule consisting of 5 single bonds, 2 rotatable bonds, and 16 aromatic bonds.",COc1ccc(Cl)cc1-c1cn2cccc(O)c2[nH+]1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 amine group, 1 thioether group, and 2 sulfide groups.",Cc1nc(-c2cccc(NC(=O)CSc3nnc(N)n3C3CC3)c2)cs1
AddComponent,Please add a aldehyde to the molecule CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OC)c(C)c1.,CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cc(C)c(OC)c(CC=O)c1
SubComponent,Modify the molecule halo by substituting a CC1CC(NS(=O)(=O)c2cccc(F)c2C[NH3+])CC[NH+]1C with a nitro.,CC1CC(NS(=O)(=O)c2cccc(NO)c2C[NH3+])CC[NH+]1C
DelComponent,Modify the molecule O=C(NCc1ccc2c(c1)OCO2)c1cc(-n2cnnc2)ccc1Cl by removing a halo.,O=C(NCc1ccc2c(c1)OCO2)c1cccc(-n2cnnc2)c1
LogP,Modify the molecule CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCC(CC)C2 to have a lower LogP value.,CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCC(CC)C2
MR,Modify the molecule Cl[Tc](Cl)(Cl)(Cl)Cl to increase its MR value.,CC(=O)[Tc](Cl)(Cl)(Cl)Cl
QED,Modify the molecule Cc1nnn(Cc2cc(C(F)(F)F)ccc2C=CC(=O)N(C)CC2CC[NH2+]CC2)n1 to have a lower QED value.,Cc1nnn(Cc2cc(C(F)(F)S)ccc2C=CC(=O)N(C)CC2CC[NH2+]CC2)n1
AtomNum,"There is a molecule composed of 18 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",Cc1cc(F)c2[nH]c(=O)cc(C(=O)NC3CCOC(C)(C)C3)c2c1
BondNum,"There is a molecule consisting of 10 single bonds, 4 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C([O-])C1=CC(c2ccccc2)=CC(O)(C(=O)[O-])C1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, and 1 halo group.",Brc1ccc2c(c1)-c1nnc(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)n1-c1cccnc1N2
AddComponent,Please add a benzene ring to the molecule CS(=O)C(=Cc1ccccc1)S(C)(=O)=O.,CS(=O)C(=Cc1ccccc1-c1ccccc1)S(C)(=O)=O
SubComponent,Substitute a halo in the molecule CBc1ccc(C(c2cccc(F)c2)C(C)(C)C(=O)OC)s1 with a aldehyde.,CC(=O)c1cccc(C(c2ccc(BC)s2)C(C)(C)C(=O)OC)c1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(-c2nc3ccc(C)cn3c2C(=O)Nc2nn[n-]n2)cc1.,Cc1ccc2nc(C)c(C(=O)Nc3nn[n-]n3)n2c1
LogP,Optimize the molecule O=S(=O)(Cc1nnc2n1CCCC2)c1ccc2c(c1)CCCC2 to have a lower LogP value.,O=C(O)C1CCc2nnc(CS(=O)(=O)c3ccc4c(c3)CCCC4)n2C1
MR,Please optimize the molecule CC(=O)c1cnn(CC2CN(C(=O)OC(C)(C)C)C2)c1 to have a higher MR value.,CC(=O)c1cnn(CC2CN(C(=O)OC(C)(C)C)C2N)c1
QED,Please modify the molecule COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3Cl)n2Cc2ccco2)cc1 to decrease its QED value.,COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C(=O)[OH])n2Cc2ccco2)cc1
AtomNum,"Please generate a molecule composed of 9 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 bromine atom.",Brc1ccc2c3n(nc2c1)CCO3
BondNum,"There is a molecule composed of 17 single bonds, 2 double bonds, 9 rotatable bonds, and 16 aromatic bonds.",CCc1ccc(NC(=O)N(CC(=O)N(Cc2ccco2)Cc2cccn2C)C2CC2)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amide group.",Cc1noc(C)c1C(=O)NCc1ccccc1CC(=O)[O-]
AddComponent,Please add a hydroxyl to the molecule O=C(NCc1ccc(Cl)nc1)C1(O)CCCC1.,O=C(NCc1ccc(Cl)nc1)C1(O)CCCC1O
SubComponent,Substitute a halo in the molecule CCc1ccc(Br)cc1B(O)O with a carboxyl.,CCc1ccc(C(=O)[OH])cc1B(O)O
DelComponent,Please remove a hydroxyl from the molecule CC(C)CC(NC(=O)C([NH3+])CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)[O-].,CC(C)CC(NC(=O)C(C)[NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)[O-]
LogP,Please modify the molecule CC(C)(C)C(=O)CC(NC(=O)NCCCc1ccccc1)C(=O)[O-] to increase its LogP value.,CC(C)(C)C(=O)CC(NC(=O)NC(CCc1ccccc1)c1ccccc1)C(=O)[O-]
MR,Modify the molecule O=c1c2ncccc2nnn1CO to have a lower MR value.,Cn1nnc2cccnc2c1=O
QED,Modify the molecule CCCCCCC(C)(C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1 to have a lower QED value.,CCCCCCC(C)(C)[NH2+]CC(C#N)OC(=O)c1ccc([N+](=O)[O-])cc1
AtomNum,"The molecule has 23 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",C=CCc1cc(C=NNC(=O)CC(=O)Nc2ccccc2CC)cc(OCC)c1O
BondNum,"The molecule has 10 single bonds, 5 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",C=CC(=O)OCCSc1ccc(N=Nc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ketone group, and 1 halo group.",CC(=O)c1cc2ccc3c(c2oc1=O)C[NH+](Cc1ccc(F)cc1)CO3
AddComponent,Modify the molecule Cc1cc(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)n(C)n1 by adding a benzene ring.,Cc1nn(C)c(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)c1-c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule CC(C)COc1cc(C(O)=Nc2ccccc2)nc2c(N=Cc3ccc4ccc5ccc(C=Nc6cccc7c(OCC(C)C)cc(C(O)=Nc8ccccc8)nc67)nc5c4n3)cccc12 with a nitrile.,CC(C)COc1cc(C(O)=Nc2ccccc2)nc2c(N=Cc3ccc4ccc5ccc(C=Nc6cccc7c(OCC(C)C)cc(C(C#N)=Nc8ccccc8)nc67)nc5c4n3)cccc12
DelComponent,Modify the molecule halo by removing a Cc1cc(F)c(N)cc1S(=O)(=O)NC1CCCC1.,Cc1ccc(N)cc1S(=O)(=O)NC1CCCC1
LogP,Modify the molecule CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Cl to increase its LogP value.,CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Cl
MR,Optimize the molecule O=c1nc(CCO)[nH]c2c(C(F)(F)F)cccc12 to have a higher MR value.,CC(=O)C(F)(F)c1cccc2c(=O)nc(CCO)[nH]c12
QED,Please modify the molecule COc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 to increase its QED value.,COOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1
AtomNum,"The molecule has 19 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",Cc1nc(C[NH+]2CCC(CNc3cc(Br)cc(F)c3C(N)=O)CC2)oc1C
BondNum,"Please generate a molecule consisting 14 single bonds, 6 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",Nc1c(Cl)cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1Cl
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, 1 nitro group, and 1 halo group.",Cn1nccc1CNc1ccc([N+](=O)[O-])c(Cl)c1
AddComponent,Modify the molecule CCCCCC(C)[NH2+]Cc1cc(CC)no1 by adding a hydroxyl.,CCCCCC(C)[NH2+]Cc1cc(CCO)no1
SubComponent,Modify the molecule CC(CO)CCC[NH2+]Cc1cn(CCCO)nn1 by substituting a hydroxyl with a thiol.,CC(CS)CCC[NH2+]Cc1cn(CCCO)nn1
DelComponent,Please remove a nitrile from the molecule CC1(C)CCC(CC2(C#N)CCc3ccccc32)O1.,CC1(C)CCC(CC2CCc3ccccc32)O1
LogP,Optimize the molecule CCC1(C[NH2+]CC(C)C(N)=O)CCC1 to have a lower LogP value.,CC(C[NH2+]CC1(CCO)CCC1)C(N)=O
MR,Modify the molecule Cc1cccc(OCCC([NH3+])Cc2ccc(Br)cc2Cl)c1 to decrease its MR value.,Cc1cccc(OCCC([NH3+])Cc2ccc(Br)cc2)c1
QED,Please modify the molecule COCCn1ccc(NC(=O)NCCOc2ccc(Cl)cc2)n1 to increase its QED value.,COCCn1ccc(NC(=O)NCCOc2ccccc2)n1
AtomNum,"The molecule is composed of 15 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CCC(C)[NH2+]C=C(C#N)C(=O)N(C)C1CC[NH+](C)CC1
BondNum,"Please generate a molecule consisting 9 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)c1ccc(C[NH2+]C(CN)C(=O)[O-])cc1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 1 aldehyde group.",CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)CC1C=O
AddComponent,Modify the molecule CCN(CC)C1(C#N)CC[NH+](C)CC1 by adding a hydroxyl.,CCN(CCO)C1(C#N)CC[NH+](C)CC1
SubComponent,Please substitute a hydroxyl in the molecule CC(=O)C1CC2OC1C(O)C(N=[N+]=[N-])C2O with a carboxyl.,CC(=O)C1CC2OC1C(C(=O)[OH])C(N=[N+]=[N-])C2O
DelComponent,Modify the molecule amine by removing a CC(C)c1ccc(-c2noc(-c3csc(N)n3)n2)cc1.,CC(C)c1ccc(-c2noc(-c3cscn3)n2)cc1
LogP,Please optimize the molecule O=C([O-])Cc1cc2ccc(C(=O)[O-])cc2s1 to have a lower LogP value.,O=CCc1cc2cc(CC(=O)[O-])sc2cc1C(=O)[O-]
MR,Modify the molecule COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)c(C)c3)C2c2ccncc2)c(OC)c1 to increase its MR value.,CC(=O)C1=C(c2ccc(OC)cc2OC)C(c2ccncc2)N(c2ccc(Br)c(C)c2)C1=O
QED,Please optimize the molecule CC(=O)c1cccc(N=Nc2c(C)nc3ccc(F)cn23)c1 to have a higher QED value.,CC(=O)c1cccc(N=Nc2c(C)nc3ccc(C#N)cn23)c1
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",C[NH2+]Cc1csc(S(=O)(=O)Nc2ccc(Br)cc2C)c1
BondNum,"The molecule consists of 31 single bonds, 6 double bonds, 19 rotatable bonds, and 12 aromatic bonds.",COc1cc(C(CC(=O)[O-])OC(=O)NCCCCNC(=O)OC(CC(=O)[O-])c2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 ketone group, 1 ester group, 1 amide group, 1 thioether group, and 1 sulfide group.",CCOC(=O)CC(=O)CSc1cccc(NC(=O)C=Cc2ccccc2)c1
AddComponent,Add a hydroxyl to the molecule O=C1C(O)=C(c2ccc(F)cc2)C(c2ccc(Cl)c(Cl)c2)N1c1ccccc1F.,O=C1C(O)=C(c2ccc(F)cc2)C(c2ccc(Cl)c(Cl)c2)N1c1cccc(O)c1F
SubComponent,Substitute a halo in the molecule CN(C)CCN(C)C(C[NH3+])c1cc(Cl)cc(Cl)c1 with a aldehyde.,CC(=O)c1cc(Cl)cc(C(C[NH3+])N(C)CCN(C)C)c1
DelComponent,Please remove a amide from the molecule Cc1ccc(NC(=O)CC2CCC[NH2+]2)cc1NS(=O)(=O)c1ccccc1.,Cc1ccc(C2CCC[NH2+]2)cc1NS(=O)(=O)c1ccccc1
LogP,Modify the molecule CCn1c(SC(C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccoc1C to decrease its LogP value.,CCn1c(-c2ccoc2C)nnc1[SH](C)c1ccc(C)cc1C
MR,Please optimize the molecule COc1cc(C(C)C)ccc1C(=O)NCC(C)C[NH3+] to have a higher MR value.,COc1cc(C(C)C)ccc1C(=O)NCC(C)(N)C[NH3+]
QED,Please optimize the molecule O=C1C(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCN1CC(F)(F)F to have a lower QED value.,O=C1C(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCN1CC(F)(F)F
AtomNum,"The molecule has 7 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 1 iodine atom.",ISC#Cc1ccncc1
BondNum,"There is a molecule with 8 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C(O)Cc2ccc(Cl)cc2)c(F)c1F
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, and 1 sulfide group.",CC(Nc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)c1ccccc1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(-n2nc(-c3ccccc3)c3c4ccccc4n(Cc4cccc(-c5nn(-c6ccccc6)c(=O)c6c5c5ccccc5n6C)c4)c3c2=O)cc1.,Cc1ccc(-n2nc(-c3ccccc3)c3c4ccccc4n(Cc4cccc(-c5nn(-c6ccccc6)c(=O)c6c5c5c(O)cccc5n6C)c4)c3c2=O)cc1
SubComponent,Modify the molecule hydroxyl by substituting a COc1ccc(OC)c(C(O)CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)[nH+]3)CC2)c1 with a carboxyl.,COc1ccc(OC)c(C(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)[nH+]3)CC2)C(=O)[OH])c1
DelComponent,Modify the molecule O=c1[nH]c2c(s1)C(c1cc(Br)ccc1OCc1cccc(Cl)c1)C1C3CCC(C3)C1S2 by removing a benzene ring.,O=c1[nH]c2c(s1)C(c1cc(Br)ccc1OCCl)C1C3CCC(C3)C1S2
LogP,Optimize the molecule Cc1cc(F)ccc1NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccc(F)c(NC(=O)c4ccccc4)c3)CC2)c1C to have a lower LogP value.,Cc1cc(C#N)ccc1NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccc(F)c(NC(=O)c4ccccc4)c3)CC2)c1C
MR,Modify the molecule COc1cccc(OC)c1C(=O)Nc1ccc(SCC(=O)c2ccc(Cl)cc2Cl)cc1 to increase its MR value.,COc1cccc(OC)c1C(=O)Nc1ccc(SCC(=O)c2ccc(C(=O)[OH])cc2Cl)cc1
QED,Optimize the molecule CC(C)NC(=O)c1coc(C[NH+](Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)n1 to have a lower QED value.,CC(C)NC(=O)c1coc(C[NH+](Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)C#N)c2)n1
AtomNum,"The molecule has 16 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",O=S(c1ccc(Nc2cnc[nH]2)cc1)c1ccc(Cl)c(C(F)(F)F)c1
BondNum,"Please generate a molecule with 28 single bonds, 4 double bonds, 13 rotatable bonds, and 16 aromatic bonds.",C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cnc(OCC[NH+]4CCCCC4)cc3n2C2CCC(C(O)[NH2+]C)CC2)c1
FunctionalGroup,Please generate a molecule composed of and 1 nitrile group.,CCC[NH+](Cc1cccnc1C#N)C1CC1
AddComponent,Please add a amine to the molecule CCC(C)C(C)([NH3+])CC1CC2CCC1C2.,CCC(C)C(C)([NH3+])CC1(N)CC2CCC1C2
SubComponent,Please substitute a hydroxyl in the molecule Cc1ccc(C(=O)CC[NH+](C)CC(C)O)cc1 with a thiol.,Cc1ccc(C(=O)CC[NH+](C)CC(C)S)cc1
DelComponent,Remove a nitrile from the molecule COc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C([NH+]3CCCCC3)C2=O)cc1OC.,COc1ccc(N2C(=O)C(Sc3cc(C)cc(C)n3)=C([NH+]3CCCCC3)C2=O)cc1OC
LogP,Modify the molecule COc1cc(C(Cl)C(C)C)c(F)cn1 to decrease its LogP value.,COc1ncc(F)c(C(Cl)C(C)C)c1CC=O
MR,Modify the molecule CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc21 to have a lower MR value.,CC1c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc21
QED,Modify the molecule CC(NC1CCCCC1[NH2+]C(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 to increase its QED value.,CC(NC1CCCCC1[NH2+]C(C)c1ccc(C#N)cc1)c1ccc(Cl)cc1
AtomNum,"The molecule contains 15 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",O=C(C1CCC[NH+]1C1CC1)N1CCOCC2(CC2)C1
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",N#Cc1ccccc1NC(=O)CC1([NH3+])CCC1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amine group, and 3 halo groups.",Cc1cc(Br)c(F)cc1NCc1ccc(C(=O)[O-])cc1Br
AddComponent,Please add a hydroxyl to the molecule CS(=O)(=O)c1cccc(-c2ccc(C(=O)NCNC(=O)C(CCc3ccccc3)CN(C=O)OCc3ccccc3)o2)c1.,CS(=O)(=O)c1cccc(-c2ccc(C(=O)NCNC(=O)C(CCc3cccc(O)c3)CN(C=O)OCc3ccccc3)o2)c1
SubComponent,Modify the molecule halo by substituting a CC(F)CCn1nnnc1CC(=O)[O-] with a nitro.,CC(CCn1nnnc1CC(=O)[O-])NO
DelComponent,Please remove a N#CC(C(=O)NCC[NH+]1CCOCC1)c1ccccc1 from the molecule amide.,N#CC(C[NH+]1CCOCC1)c1ccccc1
LogP,Modify the molecule C=CCCCCCC([NH2+]C)c1cc(C)c(C)s1 to increase its LogP value.,C=CCCCCCC([NH2+]C)(c1ccccc1)c1cc(C)c(C)s1
MR,Modify the molecule CC(C)CSCC(CBr)c1ccccc1 to have a lower MR value.,CC(C)CSCC(C)c1ccccc1
QED,Optimize the molecule COC(OC)C(=O)c1ccc(C)c(Cl)c1 to have a lower QED value.,COC(OC)C(=O)c1ccc(C)c(C#N)c1
AtomNum,"There is a molecule composed of 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCSCC1
BondNum,"There is a molecule consisting of 4 single bonds, 1 double bond, 1 triple bond, and 11 aromatic bonds.",Cc1c(C#N)c(=O)n(C)c2ccc(Cl)cc12
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 1 amide group.",CC(C)C(O)CC(=O)NCCc1c[nH]c2ccccc12
AddComponent,Add a carboxyl to the molecule COC(=O)C1CCCN1C(=O)Cc1csc(C(C)[NH3+])n1.,COC(=O)C1CC(C(=O)O)CN1C(=O)Cc1csc(C(C)[NH3+])n1
SubComponent,Substitute a halo in the molecule Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)nc1)C(=O)CCO2 with a nitrile.,Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3C#N)nc1)C(=O)CCO2
DelComponent,Please remove a [NH3+]C1CCC(OCc2ccc(OC(F)(F)F)cc2)C1 from the molecule benzene ring.,[NH3+]C1CCC(OCOC(F)(F)F)C1
LogP,Please optimize the molecule CCCCC1=C(OC(C)C)C(O)(C2(CCCC)C(=O)C(O)=C2OC(C)C)C1=O to have a higher LogP value.,CCCCC1=C(OC(C)C)C(S)(C2(CCCC)C(=O)C(O)=C2OC(C)C)C1=O
MR,Modify the molecule O=C([O-])c1ccc(C(F)(F)F)nc1Oc1ccccc1Cl to have a higher MR value.,O=C([O-])c1ccc(C(F)(F)C(=O)[OH])nc1Oc1ccccc1Cl
QED,Modify the molecule O=C(Nc1cc[nH]c(=O)c1COP(=O)([O-])[O-])c1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1Cl to decrease its QED value.,O=C(Nc1cc[nH]c(=O)c1COP(=O)([O-])[O-])c1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(F)cc1C(=O)O
AtomNum,"The molecule contains 13 carbon atoms, and 4 oxygen atoms.",CCOC(=O)C(CC)Oc1ccc(OC)cc1
BondNum,"Please generate a molecule with 5 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",[NH3+]Cc1noc(-c2ccc(F)c(Cl)c2)n1
FunctionalGroup,There is a molecule composed of and 2 amine groups.,CCNc1ncnc(NCc2ccoc2)c1CC
AddComponent,Add a benzene ring to the molecule Cc1cc(Br)cc(C)c1OCC(=O)NCc1ccc2c(c1)OCO2.,Cc1cc(Br)cc(C)c1OC(C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1
SubComponent,Substitute a halo in the molecule O=S(=O)(CCCC1CCC[NH+]1CCCCCC1=C(c2ccc(F)cc2)CCCc2cc(O)ccc21)CCCC(F)(F)C(F)(F)F with a carboxyl.,O=C([OH])c1ccc(C2=C(CCCCC[NH+]3CCCC3CCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)c3ccc(O)cc3CCC2)cc1
DelComponent,Modify the molecule amide by removing a COC(=O)C1(SCC2OC(OC)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CC(OC(C)=O)C(NC(C)=O)C(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1.,COC(=O)C1(SCC2OC(OC)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CC(OC(C)=O)CC(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1
LogP,Please modify the molecule COSSSSSSSSS to decrease its LogP value.,COSSSSSSSS
MR,Modify the molecule CCN(C)C(=O)CNc1ccc(C(=O)OC)nn1 to have a lower MR value.,CCN(C)C(=O)Cc1ccc(C(=O)OC)nn1
QED,Optimize the molecule [Se-][P+]([SeH])(CCc1ccccc1)CCc1ccccc1 to have a higher QED value.,CC[P+]([Se-])([SeH])CCc1ccccc1
AtomNum,"Please generate a molecule with 8 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",Cn1cc(C2NC(=O)NC2=O)c(=O)[nH]c1=O
BondNum,"The molecule is composed of 7 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",COc1ccc(Cn2cccc2C[NH3+])cc1Br
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",[NH3+]CC1CN(c2ccc(C3CCN(C(=O)CO)CC3)cc2)C(=O)O1
AddComponent,Please add a hydroxyl to the molecule Clc1ccnc2c1ccc1ncncc12.,Oc1cc2ncncc2c2nccc(Cl)c12
SubComponent,Modify the molecule halo by substituting a COC(=O)CCn1c(=NC(=O)c2ccccc2F)sc2cc3c(cc21)OCCO3 with a nitrile.,COC(=O)CCn1c(=NC(=O)c2ccccc2C#N)sc2cc3c(cc21)OCCO3
DelComponent,Remove a halo from the molecule CN(CC1CCCO1)S(=O)(=O)c1cnccc1Cl.,CN(CC1CCCO1)S(=O)(=O)c1cccnc1
LogP,Optimize the molecule C=C(CCC1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(C=Cc3c(Cl)cccc3C(F)(F)F)ccc2O1)OC to have a lower LogP value.,C=C(CCC1CN(S(=O)(=O)c2cccc(C(F)(F)C#N)c2)c2cc(C=Cc3c(Cl)cccc3C(F)(F)F)ccc2O1)OC
MR,Modify the molecule CCO[P+]([O-])(C=C(C)c1ccc(F)cc1)OCC to have a lower MR value.,CCO[P+]([O-])(C=C(C)F)OCC
QED,Please modify the molecule COc1cccc(-c2csc3nc(-c4ccc(C)cc4)n(CCF)c(=O)c23)c1 to increase its QED value.,COc1cccc(-c2csc3nc(-c4ccc(C)cc4)n(CCO)c(=O)c23)c1
AtomNum,"The molecule consists of 15 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCCC(=O)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)CC1
BondNum,"The molecule contains 13 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC1C[NH+](C(C(=O)NN)c2ccccc2)CCCO1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,O=C(NCc1cccn1Cc1ccccc1)NC1CCCC1
AddComponent,Please add a hydroxyl to the molecule O=C1CCC(=O)[N+]1(O)Cc1cccc(C[N+]2(O)C(=O)CCC2=O)c1.,O=C1CCC(=O)[N+]1(O)Cc1cc(O)cc(C[N+]2(O)C(=O)CCC2=O)c1
SubComponent,Substitute a halo in the molecule Cc1c(F)cc(N)cc1-n1ccn2nc(-c3cccnc3)cc12 with a thiol.,Cc1c(S)cc(N)cc1-n1ccn2nc(-c3cccnc3)cc12
DelComponent,Remove a amide from the molecule Cc1cccc2c3c(n(C)c12)C(=O)N(C)CC3.,Cc1cccc2c1n(C)-c21CCC1
LogP,Optimize the molecule CCN(CC)C(=S)SC1C(=O)c2cc(Br)ccc2OC1c1ccc(OC)cc1 to have a lower LogP value.,CCN(CC)C(=S)SC1C(=O)c2cc(NO)ccc2OC1c1ccc(OC)cc1
MR,Modify the molecule CC(C)(C)c1ccc(S(=O)(=O)N(O)C(=O)c2ccc3c(c2)CC[NH2+]C3)cc1 to have a lower MR value.,CC(C)(C)c1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CC[NH2+]C3)cc1
QED,Modify the molecule Cn1cc(-c2cc(-c3ccc(F)cc3F)ncc2Oc2cc(F)c(S(=O)(=O)N(C(=O)[O-])c3csc(C(C)(C)C)n3)cc2Cl)cn1 to have a lower QED value.,Cn1cc(-c2cc(-c3ccc(F)cc3F)ncc2Oc2c(Cl)cc(S(=O)(=O)N(C(=O)[O-])c3csc(C(C)(C)C)n3)c(F)c2-c2ccccc2)cn1
AtomNum,"Please generate a molecule with 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",CC(C)c1ncc(Oc2cc(Br)ccc2F)c(C[NH3+])n1
BondNum,"The molecule has 10 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CSc1cc(NC2CCCOC2)ncn1
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,c1ccc(-c2ccc3[nH]c4ccc5c6ccc7ccccc7c6ccc5c4c3c2)cc1
AddComponent,Modify the molecule CC([NH3+])c1cccc(NC(=O)c2ccc(Br)cc2O)c1 by adding a benzene ring.,CC([NH3+])c1cccc(NC(=O)c2ccc(Br)cc2O)c1-c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule CCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c(O)c1 with a carboxyl.,CCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c(C(=O)[OH])c1
DelComponent,Please remove a amine from the molecule Nc1cc(C(=O)[O-])cnc1C=O.,O=Cc1ccc(C(=O)[O-])cn1
LogP,Modify the molecule CCOC(=O)c1c(NC(=O)CCc2c(C)nc3ncnn3c2C)sc(C)c1C to increase its LogP value.,CCOC(=O)c1c(Cc2c(C)nc3ncnn3c2C)sc(C)c1C
MR,Please modify the molecule CCN(Cc1cc(=O)n2c(CCS(=O)(=O)[O-])c(C)sc2n1)c1ccc(F)cc1 to increase its MR value.,CCN(Cc1cc(=O)n2c(CCS(=O)(=O)[O-])c(C)sc2n1)c1ccc(NO)cc1
QED,Optimize the molecule CC(OC(=O)Nc1cnoc1-c1ccc(-c2ccc(CC(=O)[O-])cc2)c2c1CCC2)c1ccccc1 to have a lower QED value.,CC(O)(OC(=O)Nc1cnoc1-c1ccc(-c2ccc(CC(=O)[O-])cc2)c2c1CCC2)c1ccccc1
AtomNum,"The molecule is composed of 18 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 2 iodine atoms.",S=C(c1cc(I)c(OCc2ccccc2)c(I)c1)N1CCOCC1
BondNum,"The molecule is composed of 11 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",Cc1cc2c(NC(C)C)cccc2c(OCC[NH+](C)C)n1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 nitrile group.",CCCCCCC1CCC(C#N)(C(CCC)(CCC)c2ccccc2-c2ccccc2)CC1
AddComponent,Modify the molecule CCNC(C#N)c1ccccc1COC by adding a thiol.,CCNC(C#N)c1ccc(S)cc1COC
SubComponent,Please substitute a hydroxyl in the molecule Cc1c(CCC[NH3+])cnn1CCO with a nitro.,Cc1c(CCC[NH3+])cnn1CCNO
DelComponent,Remove a CCN(Cc1ccco1)c1cc(Br)ccc1C#N from the molecule halo.,CCN(Cc1ccco1)c1ccccc1C#N
LogP,Modify the molecule Cc1cc(Cl)ccc1NC(=O)C1CCC(C(=O)NC(C)C)CC1 to have a lower LogP value.,Cc1cc(C(=O)[OH])ccc1NC(=O)C1CCC(C(=O)NC(C)C)CC1
MR,Please modify the molecule CCCNC(=O)CC1C(O)C(O)C(CO)[NH+]1CCCCc1ccccc1 to decrease its MR value.,CCCNC(=O)CC1C(O)C(O)C(C)[NH+]1CCCCc1ccccc1
QED,Optimize the molecule Cc1cc(C)c(C#Cc2ccc(C#Cc3cc(F)c(C)c(F)c3)cc2)cc1C to have a higher QED value.,CCCC#Cc1ccc(C#Cc2cc(F)c(C)c(F)c2)cc1
AtomNum,"The molecule is composed of 34 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1
BondNum,"The molecule contains 11 single bonds, 3 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",Cc1ccccc1-c1csc(NC(=O)CC2CCS(=O)(=O)C2)n1
FunctionalGroup,"The molecule contains 4 benzene ring groups, 1 ester group, 1 amine group, and 2 sulfone groups.",COC(=O)c1cccc(C=NN(C(CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1
AddComponent,Please add a benzene ring to the molecule COCCn1ncc(Cl)c1C(=O)C1CCCCC1C[NH3+].,[NH3+]CC1CCCCC1C(=O)c1c(Cl)cnn1CCOCc1ccccc1
SubComponent,Modify the molecule COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(SCCC(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)n2)cc1 by substituting a nitrile with a halo.,COc1ccc(-c2cc(-c3ccc(C)cc3)c(Br)c(SCCC(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)n2)cc1
DelComponent,Please remove a amide from the molecule COc1ccc(NC(=O)Cn2nnc(-c3nc(-c4ccccc4)no3)c2N)cc1OC.,COc1ccc(-n2nnc(-c3nc(-c4ccccc4)no3)c2N)cc1OC
LogP,Optimize the molecule Cc1c(-c2nnc(C(C)(C)Oc3ccccn3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 to have a lower LogP value.,Cc1c(-c2nnc(C(C)(C)Oc3ccccn3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1
MR,Optimize the molecule COC1(c2nc(=O)c(C)c(N)[nH]2)CCCCC1 to have a lower MR value.,COC1(c2nc(=O)c(C)c[nH]2)CCCCC1
QED,Optimize the molecule CC(C)OCC(=O)Nc1ccc(NC(=O)C(C)C)cc1 to have a lower QED value.,CC(C)OCC(=O)NNC(=O)C(C)C
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 1 nitrogen atom, and 1 fluorine atom.",FC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1
BondNum,"There is a molecule consisting of 6 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",C=C=CC(O)c1ccc([N+](=O)[O-])cc1Cl
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, and 1 halo group.",CC(C)(C)c1ccccc1[Si](Cl)(c1ccccc1)c1ccccc1
AddComponent,Modify the molecule CCNC(NC(C)c1ccc(F)cc1F)=[NH+]Cc1csc(CC)n1 by adding a hydroxyl.,CCNC(NC(C)c1ccc(F)cc1F)=[NH+]Cc1nc(CC)sc1O
SubComponent,Modify the molecule nitrile by substituting a Cc1ccc(C#N)cc1NCc1cccc2[nH]ccc12 with a aldehyde.,CC(=O)c1ccc(C)c(NCc2cccc3[nH]ccc23)c1
DelComponent,Modify the molecule COc1cnc(NC(=O)NS(=O)(=O)c2c(Cl)nc3ccccn23)nc1OC by removing a halo.,COc1cnc(NC(=O)NS(=O)(=O)c2cnc3ccccn23)nc1OC
LogP,Modify the molecule ClC(c1ccc(Br)c2ccccc12)C1CCCCCCC1 to decrease its LogP value.,SC(c1ccc(Br)c2ccccc12)C1CCCCCCC1
MR,Modify the molecule CC(C)(C)OC(=O)NCC(=O)c1ccccc1C(O)C(=O)OC(c1ccccc1)c1ccccc1 to have a higher MR value.,CC(=O)C(C(=O)OC(c1ccccc1)c1ccccc1)c1ccccc1C(=O)CNC(=O)OC(C)(C)C
QED,Modify the molecule COc1ccc(C23C(=O)N(Nc4ccc(Cl)cc4Cl)C(=O)C2CC2C(=CCC4C(=O)N(Cc5cccs5)C(=O)C42)C3C=Cc2cc(OC)c(O)c(OC)c2)cc1 to have a lower QED value.,COc1ccc(C23C(=O)N(Nc4ccc(Cl)cc4Cl)C(=O)C2CC2C(=CCC4C(=O)N(Cc5cccs5)C(=O)C42)C3C=Cc2cc(OC)c(S)c(OC)c2)cc1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COCC(CO)NC(=O)CC(C)C(C)(C)C
BondNum,"Please generate a molecule consisting 14 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",NNc1cc(C2CCCC2)nc(N2CCCC2)n1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amine group.",CCOCCCn1ccnc1Nc1ccc(OC)c(C)c1
AddComponent,Please add a nitrile to the molecule CCCC(C)C(=O)N(CC1CCC[NH2+]1)C(C)C.,CCCC(C)C(=O)N(CC1CCC[NH2+]1)C(C)CC#N
SubComponent,Modify the molecule COc1ccc(C=C2Oc3ccc4c(C)cc(=O)oc4c3C2=O)cc1Br by substituting a halo with a thiol.,COc1ccc(C=C2Oc3ccc4c(C)cc(=O)oc4c3C2=O)cc1S
DelComponent,Remove a amide from the molecule CC[NH+](CC)Cc1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1.,CC[NH+](CC)Cc1ccc(COC2CC[NH2+]CC2)cc1
LogP,Modify the molecule CC1CC[NH2+]C1C(=O)N1CC[NH+](CC(=O)N(C)C)CC1 to increase its LogP value.,CC[NH+]1CCN(C(=O)C2[NH2+]CCC2C)CC1
MR,Please optimize the molecule Cn1c(C(=O)N2CC([NH+]3CCOCC3)C2)nc2c(N3CCOCC3)nc(-n3c(CCO)nc4ccccc43)nc21 to have a higher MR value.,Cn1c(C(=O)N2CC([NH+]3CCOCC3)C2)nc2c(N3CCOC(O)C3)nc(-n3c(CCO)nc4ccccc43)nc21
QED,Optimize the molecule CCOc1ccccc1-c1cc(C(N)=S)c(C)s1 to have a lower QED value.,CCOc1ccccc1-c1sc(C)c(C(N)=S)c1N
AtomNum,"The molecule contains 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Nc1nc(Cc2cccc(Cl)c2F)nc2c1COCC2
BondNum,"The molecule contains 15 single bonds, 2 double bonds, 9 rotatable bonds, and 11 aromatic bonds.",COCCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc(C)ccc2[nH]c1=O
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,CC1CN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CCCO1
AddComponent,Add a benzene ring to the molecule CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Br)c(Br)c(C(C)(C)C)c1.,CC(C)(C)c1cc(-c2cc(C(C)(C)Cc3ccccc3)cc(C(C)(C)C)c2Br)c(Br)c(C(C)(C)C)c1
SubComponent,Substitute a nitrile in the molecule Cc1ccc(C(=C(C#N)c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 with a thiol.,Cc1ccc(C(=C(S)c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
DelComponent,Remove a amine from the molecule COc1ccc(NC2CCc3ccccc3C2OC)cc1.,COc1ccc(C2CCc3ccccc3C2OC)cc1
LogP,Please modify the molecule COc1ccc(-c2nnc(SCC(=O)Nc3c(F)cc(F)cc3Br)n2C)cc1 to decrease its LogP value.,COc1ccc(-c2nnc(SCC(=O)Nc3c(Br)cc(F)cc3C(=O)[OH])n2C)cc1
MR,Modify the molecule NC(=O)c1c(NC(=O)COC(=O)C=Cc2cccc(Br)c2)sc2c1CCCC2 to decrease its MR value.,NC(=O)c1c(OC(=O)C=Cc2cccc(Br)c2)sc2c1CCCC2
QED,Please optimize the molecule COc1cccc(-c2ccc(NC(=O)CCCC[NH+]3CCCCC3)cc2)c1 to have a lower QED value.,COc1cc(C#N)cc(-c2ccc(NC(=O)CCCC[NH+]3CCCCC3)cc2)c1
AtomNum,"There is a molecule composed of 16 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CCCC(CCC(=O)OC)OC(=O)N1C(C)(C)COC1(C)C
BondNum,"The molecule consists of 7 single bonds, 2 double bonds, 3 rotatable bonds, and 17 aromatic bonds.",Cc1nc2c(C)cccc2cc1C(=O)NN=Cc1ccccc1F
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 aldehyde group, and 2 halo groups.",O=Cc1ccc(OCc2ccccc2F)c(Br)c1
AddComponent,Modify the molecule [NH3+]C(CCO)CSCc1ccco1 by adding a hydroxyl.,[NH3+]C(CSCc1ccco1)CC(O)O
SubComponent,Substitute a hydroxyl in the molecule CCN(C(=O)c1cc(Br)ccc1F)c1cc(O)ccc1C with a carboxyl.,CCN(C(=O)c1cc(Br)ccc1F)c1cc(C(=O)[OH])ccc1C
DelComponent,Modify the molecule amine by removing a COC(=O)CCCN1CC(C)Nc2cc3c(cc21)OCO3.,COC(=O)CCCN1CC(C)c2cc3c(cc21)OCO3
LogP,Please modify the molecule Nc1ccccc1OCCCC(=O)Nc1nnc(C2CCCCC2)s1 to increase its LogP value.,O=C(CCCOc1ccccc1)Nc1nnc(C2CCCCC2)s1
MR,Modify the molecule COC(=O)C(CBr)=NC(=O)OC(C)(C)C to have a lower MR value.,COC(=O)C(C)=NC(=O)OC(C)(C)C
QED,Modify the molecule O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(Br)cc1 to have a higher QED value.,O=C(NC(=S)c1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(Br)cc1
AtomNum,"There is a molecule with 17 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",O=C(C[NH+]1CCN(CCO)CC1)Nc1nc(-c2ccccc2)cs1
BondNum,"The molecule consists of 9 single bonds, 1 double bond, 6 rotatable bonds, and 18 aromatic bonds.",CCc1ccc(Nc2nccc(C(=O)NCc3ccc(F)cc3)n2)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amide groups, 1 amine group, and 1 sulfone group.",O=C1CCCN1c1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1
AddComponent,Please add a hydroxyl to the molecule CC(C)Oc1ncccc1CNC(=O)C(C)n1cccn1.,CC(C)Oc1nccc(O)c1CNC(=O)C(C)n1cccn1
SubComponent,Modify the molecule Cc1cccc(-c2nc3nc(C(=O)[O-])nc(NC(C)C(C)(C)C)c3n2Cc2ccc(SF)cc2)c1 by substituting a halo with a hydroxyl.,Cc1cccc(-c2nc3nc(C(=O)[O-])nc(NC(C)C(C)(C)C)c3n2Cc2ccc(SO)cc2)c1
DelComponent,Please remove a COc1ccc(-c2[nH]c(SCC(=O)Nc3cccc(OC)c3)nc(=O)c2C#N)cc1 from the molecule amide.,COc1ccc(-c2[nH]c(Sc3cccc(OC)c3)nc(=O)c2C#N)cc1
LogP,Please optimize the molecule CC(C)C(=O)OCOC(=O)C1C2C(O)C(CSc3ccc(F)c(F)c3)C(NC(=O)OC(C)(C)C)(C(=O)OCOC(=O)C(C)C)C12 to have a higher LogP value.,CC(C)C(=O)OCOC(=O)C1C2C(O)C(CSc3ccc(F)c(F)c3)C(NC(=O)OC(C)(C)Cc3ccccc3)(C(=O)OCOC(=O)C(C)C)C12
MR,Modify the molecule O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 to have a higher MR value.,CC(=O)c1ccc(Oc2ccccc2)c(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c1
QED,Modify the molecule CC(=O)N1CC(=O)c2sc(Br)cc21 to have a lower QED value.,CC(=O)N1CC(=O)c2sccc21
AtomNum,"The molecule has 13 carbon atoms, 2 oxygen atoms, and 1 fluorine atom.",COC(C(C)C)C(O)c1cc(C)ccc1F
BondNum,"Please generate a molecule consisting 13 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",O=C([O-])CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",CC[NH2+]Cc1cccc(NC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)c1
AddComponent,Add a thiol to the molecule O=CC1CCCN1C(=O)CCC(=O)N(CCc1ccccc1)Cc1ccccc1.,O=CC1CCCN1C(=O)CCC(=O)N(CCc1ccccc1)Cc1cccc(S)c1
SubComponent,Please substitute a halo in the molecule CC([NH2+]CCN(C(C)C)C(C)C)c1cccc(F)c1F with a nitro.,CC([NH2+]CCN(C(C)C)C(C)C)c1cccc(NO)c1F
DelComponent,Remove a benzene ring from the molecule Cc1ccc(C(C)[NH+](CC2CCC[NH2+]C2)C(C)C)c(C)c1.,CCC(C)[NH+](CC1CCC[NH2+]C1)C(C)C
LogP,Please optimize the molecule CCCN(CCC)c1nccc(C(=O)NCCOC)n1 to have a higher LogP value.,CCCN(CCC)c1ncc-n1CCOC
MR,Modify the molecule O=C1NC(=O)C(C#Cc2cccnc2)(Cn2cc3ccc(F)cc3c2O)N1 to increase its MR value.,ONc1c2cc(F)ccc2cn1CC1(C#Cc2cccnc2)NC(=O)NC1=O
QED,Optimize the molecule CCCS(=O)(=O)CCn1ccnc1CO to have a lower QED value.,CCCS(=O)(=O)CCn1ccnc1C
AtomNum,"There is a molecule consisting of 11 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",CCN(Cc1cc(C)c(C(=O)[O-])o1)CC(F)(F)F
BondNum,"The molecule consists of 16 single bonds, 4 double bonds, 11 rotatable bonds, and 18 aromatic bonds.",CCN(CC)c1ccc(C=NNC(=O)c2ccncc2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 amine group, and 2 halo groups.",Cc1nn(C)c(C)c1CCC(=O)N1CCCC(Nc2ccc(F)c(F)c2)C1
AddComponent,Add a hydroxyl to the molecule COCC[NH2+]CC1CCN(c2ccc(C(C)C)cc2)C1.,COCC[NH2+]CC1CCN(c2ccc(C(C)C)c(O)c2)C1
SubComponent,Please substitute a COc1ccccc1CCN(CCNC(=O)c1c(F)cccc1Cl)C(C)=O in the molecule halo with a carboxyl.,COc1ccccc1CCN(CCNC(=O)c1c(Cl)cccc1C(=O)[OH])C(C)=O
DelComponent,Remove a benzene ring from the molecule Cc1cc(F)ccc1COc1cncc(Br)c1.,CC(F)Oc1cncc(Br)c1
LogP,Please modify the molecule CCOC(=O)CNc1c(C)cccc1C(C)C to decrease its LogP value.,CCOC(=O)CN(C)C(C)C
MR,Please modify the molecule COc1ccc(CCOn2c(C)nc3ccccc32)cc1Cl to decrease its MR value.,COc1ccc(CCOn2c(C)nc3ccccc32)cc1
QED,Please optimize the molecule CC1CC([NH3+])CC[NH+]1Cc1ccc(Cl)cc1Br to have a lower QED value.,CC1CC([NH3+])CC[NH+]1Cc1ccccc1Br
AtomNum,"There is a molecule composed of 11 carbon atoms, 1 nitrogen atom, and 1 chlorine atom.",ClCCc1ccc2ccccc2n1
BondNum,"The molecule has 21 single bonds, 1 double bond, 1 triple bond, 8 rotatable bonds, and 12 aromatic bonds.",CC1(C)C[NH+](CCCOc2ccc(Cl)cc2NC(N)=O)CCC1(C#N)Cc1ccc(F)cc1
FunctionalGroup,"Please generate a molecule with 2 ester groups, and 1 halo group.",CC=CC(=O)OC1C2C=CC3(Br)C1OC(=O)C3C2C
AddComponent,Modify the molecule Cc1cc(=O)nc(NCCOC(C)C)[nH]1 by adding a hydroxyl.,CC(C)OCCNc1nc(=O)cc(CO)[nH]1
SubComponent,Please substitute a halo in the molecule CC(C)n1c(C(F)(F)F)nc2sc(C3CCC[NH2+]3)nc2c1=O with a thiol.,CC(C)n1c(C(F)(F)S)nc2sc(C3CCC[NH2+]3)nc2c1=O
DelComponent,Please remove a OC1CC[NH+](Cc2ccnc(Cl)c2)CC1 from the molecule hydroxyl.,Clc1cc(C[NH+]2CCCCC2)ccn1
LogP,Please modify the molecule Cc1ccc(CCOCCO)cc1 to decrease its LogP value.,CCCOCCO
MR,Optimize the molecule C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(Cl)c2)cc1 to have a higher MR value.,C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(S)c2)cc1
QED,Modify the molecule O=C(c1ccc(N2CCCC2)c(F)c1)N1CCN2C(=O)NCC2C1 to decrease its QED value.,O=C(c1cc(F)c(N2CCCC2)cc1O)N1CCN2C(=O)NCC2C1
AtomNum,"The molecule contains 23 carbon atoms, and 3 nitrogen atoms.",CC(C)Cc1ccc(C[NH2+]C(C)c2ccc(-c3cncnc3)cc2)cc1
BondNum,"Please generate a molecule consisting 21 single bonds, and 6 rotatable bonds.",CCC1OCCC1CN1CC(CC(C)C)[NH2+]CC1CC
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 amine group.",CCC1CCCCN1C(=O)c1ccc(NC)cc1C
AddComponent,Add a benzene ring to the molecule COc1ccc2cccc(CC(O)CCCC(C)C)c2c1.,COc1cc(-c2ccccc2)c2cccc(CC(O)CCCC(C)C)c2c1
SubComponent,Modify the molecule halo by substituting a CCCn1ncc(Br)c1C1CCCC1[NH2+]C with a aldehyde.,CC(=O)c1cnn(CCC)c1C1CCCC1[NH2+]C
DelComponent,Remove a O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccc3ccccc3n2)CC1 from the molecule amide.,O=S1(=O)CCC2CN(c3ccc4ccccc4n3)CC2CC1
LogP,Modify the molecule CC(C)C1OCCC1CNC(=O)NCC1CCCCC1(F)F to decrease its LogP value.,CC(C)C1OCCC1CNC(=O)NCC1CCCCC1F
MR,Modify the molecule OCC1CCCC1[NH2+]CC(O)COCc1cccs1 to decrease its MR value.,CC1CCCC1[NH2+]CC(O)COCc1cccs1
QED,Modify the molecule CC(=O)N(C=CC=CC1=[N+](CS(=O)(=O)O)c2ccc3cc(S(=O)(=O)O)ccc3c2C1(C)C)c1ccccc1 to have a lower QED value.,CC(=O)N(C=CC=CC1=[N+](CS(=O)(=O)C(=O)[OH])c2ccc3cc(S(=O)(=O)O)ccc3c2C1(C)C)c1ccccc1
AtomNum,"There is a molecule composed of 15 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccc2sc(C3[NH2+]CCCC3(C)C)nc2c1
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 1 rotatable bond, and 11 aromatic bonds.",CCc1cc(=O)c2ccc3c(c2o1)C=CC(C)(C)O3
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,O=C([O-])N1CCCC1(Cc1ccccc1)c1cn2cccc(-c3cccc4ccccc34)c2[nH+]1
AddComponent,Add a benzene ring to the molecule O=C(C1CC(O)C[NH2+]1)N1CCCC2(CCCCCC2)C1.,O=C(C1CC(O)(c2ccccc2)C[NH2+]1)N1CCCC2(CCCCCC2)C1
SubComponent,Modify the molecule OC1(C(F)(F)c2ccc(C#Cc3ccc(NCc4ccc(F)cc4)cc3)cn2)Cn2nnnc2-c2cc(F)ccc21 by substituting a halo with a nitrile.,N#CC(F)(c1ccc(C#Cc2ccc(NCc3ccc(F)cc3)cc2)cn1)C1(O)Cn2nnnc2-c2cc(F)ccc21
DelComponent,Modify the molecule COc1ccc(C(CNC(=O)Nc2ccc(N3CCCC3=O)cc2)[NH+](C)C)cc1 by removing a benzene ring.,COc1ccc(C(CNC(=O)NN2CCCC2=O)[NH+](C)C)cc1
LogP,Please optimize the molecule Cc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2C#N)c(C)c1 to have a lower LogP value.,Cc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2C#N)c(CO)c1
MR,Please modify the molecule CCC(C)(C(=O)N1CCC(OC)CC1)C(N)=S to decrease its MR value.,CCC(C)(C=S)C(=O)N1CCC(OC)CC1
QED,Please optimize the molecule O=P(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(-c2cccc(-c3ccc(P(=O)(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc3)c2)cc1 to have a lower QED value.,ONc1ccc(P(=O)(c2ccc(Cl)cc2)c2ccc(-c3cccc(-c4ccc(P(=O)(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc4)c3)cc2)cc1
AtomNum,"Please generate a molecule with 19 carbon atoms, and 1 nitrogen atom.",CCC1CCC(C([NH3+])CC2CCCc3ccccc32)C1
BondNum,"The molecule consists of 12 single bonds, 1 rotatable bond, and 6 aromatic bonds.",Fc1ccc(C23OCC(CO2)CO3)cc1F
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",Cc1ccc(NC(=O)c2ccc(C(C)[NH3+])o2)cc1C
AddComponent,Please add a hydroxyl to the molecule CCCC=CC=CCC=CCC=CCC=CCCCCC(=O)OC.,CCCC=CC=CCC=CCC=CCC=CCC(O)CCC(=O)OC
SubComponent,Substitute a halo in the molecule Nc1nc(-c2ccc3ncccc3c2)ncc1Br with a aldehyde.,CC(=O)c1cnc(-c2ccc3ncccc3c2)nc1N
DelComponent,Modify the molecule nitrile by removing a CCC(C#N)CNCCC(C)(C)C.,CCCCNCCC(C)(C)C
LogP,Please optimize the molecule O=C(NCCC1=CCCCC1)c1nnc(-c2cccc(Cl)c2)o1 to have a lower LogP value.,ONc1cccc(-c2nnc(C(=O)NCCC3=CCCCC3)o2)c1
MR,Modify the molecule Nc1noc(-c2cccc(Cl)c2)c1-c1ccccc1F to decrease its MR value.,Nc1noc(-c2cccc(Cl)c2)c1F
QED,Optimize the molecule CCSC1CCCC1NCc1[nH+]cc(Cl)n1C to have a lower QED value.,CCSC1CCCC1Cc1[nH+]cc(Cl)n1C
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 bromine atom.",Cc1nn(CC(=O)Cc2ccccc2)c(C)c1Br
BondNum,"There is a molecule consisting of 20 single bonds, 3 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",CC(C)CC(CNC(=O)C1(NC(=O)NCc2ccccc2)CCCC1)C(=O)[O-]
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,C=CCCC1CCCCc2c1oc(=O)c(C(c1ccccc1)C1CC1)c2[O-]
AddComponent,Add a hydroxyl to the molecule Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)C(C)C)CC1.,Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2ccccc2C(=O)NCc2ccc(F)c(O)c2)C(C)C)CC1
SubComponent,Modify the molecule CC1(C)OCC(COc2ccc(-c3nc4c(C(=O)[O-])cccc4[nH]3)c(C(F)F)c2)O1 by substituting a halo with a hydroxyl.,CC1(C)OCC(COc2ccc(-c3nc4c(C(=O)[O-])cccc4[nH]3)c(C(O)F)c2)O1
DelComponent,Modify the molecule halo by removing a Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1.,Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3)o2)cc1
LogP,Please modify the molecule COc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c(O)c1 to increase its LogP value.,COc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1
MR,Optimize the molecule Cn1cnc2c(c1=O)CCN(C(=O)NC1CC=C(c3ccc(F)cc3)CC1)C2 to have a lower MR value.,Cn1cnc2c(c1=O)CCN(C(=O)NC1CC=C(F)CC1)C2
QED,Modify the molecule [NH3+]C1(C(=O)[O-])CCCC1CCN1CCS(=O)CC1 to have a higher QED value.,[NH3+]C1(C(=O)[O-])C(CCN2CCS(=O)CC2)CCC1c1ccccc1
AtomNum,"The molecule contains 13 carbon atoms, and 3 oxygen atoms.",C=CCCC(O)c1cccc(OC)c1OC
BondNum,"There is a molecule consisting of 13 single bonds, 2 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",CNC(=O)OCc1c(C2(C)CO2)nc([N+](=O)[O-])n1C
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 1 amide group.",Cc1cccc(NC(=O)N2CCN(C(=O)c3cnc(-c4ccccc4)nc3)CC2)c1
AddComponent,Please add a carboxyl to the molecule CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1.,CSc1cc(C(=O)O)ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1
SubComponent,Modify the molecule halo by substituting a COc1ccc(Cl)c2sc(NNC(=O)c3ccccc3Cl)nc12 with a aldehyde.,CC(=O)c1ccc(OC)c2nc(NNC(=O)c3ccccc3Cl)sc12
DelComponent,Modify the molecule halo by removing a CSCCCC(=O)Nc1cc(Cl)ccc1Cl.,CSCCCC(=O)Nc1cccc(Cl)c1
LogP,Optimize the molecule CC(c1ccc(Br)cc1)C(F)(F)F to have a lower LogP value.,CC(c1ccc(Br)cc1)C(F)F
MR,Modify the molecule COc1ccc2c(c1)OC1CC([NH3+])C(C=CC[NH2+]CCN(CC(O)C(Cc3ccccc3)NC(=O)OC3COC4OCCC34)S2(=O)=O)C1 to increase its MR value.,COc1ccc2c(c1)OC1CC([NH3+])C(C=CC[NH2+]CCN(CC(NO)C(Cc3ccccc3)NC(=O)OC3COC4OCCC34)S2(=O)=O)C1
QED,Please optimize the molecule Cc1csc(C(C)Nc2nccn2C2CCCC2)n1 to have a lower QED value.,Cc1csc(C(C)c2nccn2C2CCCC2)n1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 chlorine atoms.",Clc1cccc(Cl)c1COc1ccc2ccccc2c1C[NH2+]C1CC1
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",Cc1cnc(NC(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)s1
FunctionalGroup,"Please generate a molecule consisting 4 amide groups, and 2 sulfide groups.",O=C1C(c2cccs2)=C(c2c[nH]c3ccccc23)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)C(c2cccs2)=C(c2c[nH]c3ccccc23)C1=O
AddComponent,Add a benzene ring to the molecule COCCNc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(C(=O)OC)cc1.,COCC(Nc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(C(=O)OC)cc1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cn1c(COc2ccc(CC3SC(=O)[N-]C3=O)cc2)nc2ccc(Oc3ccc4cccc(NC(=O)Nc5ccc(F)cc5F)c4c3)cc21 with a nitrile.,Cn1c(COc2ccc(CC3SC(=O)[N-]C3=O)cc2)nc2ccc(Oc3ccc4cccc(NC(=O)Nc5ccc(C#N)cc5F)c4c3)cc21
DelComponent,Modify the molecule C[NH2+]C(CCCOc1ccccc1)C1CCCC1 by removing a benzene ring.,C[NH2+]C(CCCO)C1CCCC1
LogP,Please optimize the molecule CCC(OC1(C)CCC(C(C)C)c2cc(-c3c(F)cccc3F)nnc21)C(=O)NCCS(C)(=O)=O to have a lower LogP value.,CCC(OC1(C)CCC(C(C)C)c2cc(-c3ccccc3F)nnc21)C(=O)NCCS(C)(=O)=O
MR,Please optimize the molecule O=C1N(C2CCOCC2)CCCC12CCN(c1noc(C3CC3)n1)C2 to have a lower MR value.,C1CC(C2CC2C2CN(c3noc(C4CC4)n3)C2)CCO1
QED,Optimize the molecule Cc1c(OC(C)(C)C)cccc1C(=O)NC(CSc1ccccc1)C(O)C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C to have a lower QED value.,CC(=O)C(C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C)C(CSc1ccccc1)NC(=O)c1cccc(OC(C)(C)C)c1C
AtomNum,"The molecule contains 10 carbon atoms, and 2 oxygen atoms.",C=CC1(C)OC(C)(C)CCC1O
BondNum,"There is a molecule composed of 12 single bonds, 4 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",CC(C)n1nccc1NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O
FunctionalGroup,"There is a molecule consisting of 1 amide group, 1 thioether group, 1 sulfide group, and 1 sulfone group.",O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N1CCCC1c1ccc2c(c1)OCCO2
AddComponent,Please add a hydroxyl to the molecule CC(C)(C)NC(=O)OC1C=CCC([NH3+])CCC1.,CC(C)(C)NC(=O)OC1C=CC(O)C([NH3+])CCC1
SubComponent,Modify the molecule nitro by substituting a CCOc1nccc2c([N+](=O)[O-])cccc12 with a halo.,CCOc1nccc2c(I=O)cccc12
DelComponent,Please remove a halo from the molecule COC(=O)C(=O)Nc1ccc(Br)c(OC)c1.,COC(=O)C(=O)Nc1cccc(OC)c1
LogP,Modify the molecule Cc1ccc(C[NH2+]Cc2cn(C)nc2C)o1 to have a lower LogP value.,Cc1cc(C(=O)O)c(C[NH2+]Cc2cn(C)nc2C)o1
MR,Optimize the molecule COc1cccc(NCCC(=O)[O-])c1OC to have a higher MR value.,COc1c(NCCC(=O)[O-])cccc1OCN
QED,Modify the molecule C[NH+]=C(NCCc1nc(C(C)C)no1)N(C)Cc1ccc(Cl)s1 to increase its QED value.,CC(C)c1noc(CCNC(C)N(C)Cc2ccc(Cl)s2)n1
AtomNum,"Please generate a molecule with 23 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",COc1cccc2c(N3CC[NH+](CC(=O)Nc4ccccc4F)CC3)cc(C)[nH+]c12
BondNum,"There is a molecule composed of 12 single bonds, 4 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",O=C(CCn1cnc2ccccc2c1=O)N1CCC(S(=O)(=O)Cc2ccco2)C1
FunctionalGroup,Please generate a molecule with and 2 benzene ring groups.,Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)nc3cccnc32)cc1
AddComponent,Modify the molecule CCOC(=O)c1cnc(N2CCC(c3noc4c(N5CCc6cc(S(C)(=O)=O)ccc65)ncnc34)CC2)nc1 by adding a amine.,CCOC(=O)c1cnc(N2CCC(c3noc4c(N5CCc6cc(S(C)(=O)=O)ccc65)ncnc34)C(N)C2)nc1
SubComponent,Substitute a CCC(=O)Oc1c(-c2ccc(OC)cc2)cc(-c2ccc(Cl)cc2)c(Cl)c1-n1cccn1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(-c2cc(-c3ccc(OC)cc3)c(OC(=O)CC)c(-n3cccn3)c2Cl)cc1
DelComponent,Please remove a amine from the molecule C[NH+]=C(NCc1ccc(C)c(F)c1)NC1CCN(c2ncccc2F)C1.,C[NH+]=C(Cc1ccc(C)c(F)c1)NC1CCN(c2ncccc2F)C1
LogP,Modify the molecule C[NH2+]C(CN1CCN(C)C(=O)C1=O)C1CC1 to increase its LogP value.,C[NH2+]C(C1CC1)C(O)C1CN1C
MR,Optimize the molecule Cn1cc(NC(=O)Cc2ccc(C#N)cc2)cn1 to have a lower MR value.,Cn1cc(NC(=O)CC#N)cn1
QED,Optimize the molecule CC(C)(CO)C(O)C(=O)NCCCOC(=O)[NH+]=C(N)NC(=O)CC1C(Cl)CCCC1Cl to have a lower QED value.,CC(C)(CO)C(O)C(=O)NCCCOC(=O)[NH+]=C(N)NC(=O)CC1C(Cl)CCCC1(O)Cl
AtomNum,"There is a molecule consisting of 22 carbon atoms, 6 oxygen atoms, and 2 nitrogen atoms.",CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(C)cc1c2C(=O)[O-]
BondNum,"There is a molecule with 5 single bonds, 3 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",O=C([O-])CCCn1c(=S)[nH]c2ccsc2c1=O
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 4 halo groups, and 1 sulfone group.",O=S(=O)(N=C=Nc1ccc(F)cc1)C(F)(F)F
AddComponent,Please add a hydroxyl to the molecule O=C(c1ccc(Cl)cc1)C1CCCN(C(=O)C2CCCC2)C1.,O=C(c1ccc(Cl)cc1)C1CCCN(C(=O)C2CCC(O)C2)C1
SubComponent,Please substitute a hydroxyl in the molecule CC[NH2+]C(CO)CCSc1ccccc1Br with a nitro.,CC[NH2+]C(CCSc1ccccc1Br)CNO
DelComponent,Remove a Nc1ncc(-c2nc(N)nc3c2CCN3c2cc[nH+]cc2)cn1 from the molecule amine.,Nc1ncc(-c2ncnc3c2CCN3c2cc[nH+]cc2)cn1
LogP,Modify the molecule Cc1cccc(-c2nnc(-c3ccc4nc(-c5c(Cl)cccc5Cl)[nH]c4c3)o2)c1 to decrease its LogP value.,Cc1cccc(-c2nnc(-c3ccc4nc(-c5c(O)cccc5Cl)[nH]c4c3)o2)c1
MR,Optimize the molecule O=C([O-])C1C2CCC(C2)C1C(=O)N1CCN(c2ccccc2F)CC1 to have a lower MR value.,O=C([O-])C1C2CCC(C2)C1C(=O)N1CCN(F)CC1
QED,Please optimize the molecule O=[N+]([O-])c1ccc2c(c1)CN(c1nc3ccccc3cc1CO)CC2 to have a lower QED value.,Cc1cc2ccccc2nc1N1CCc2ccc([N+](=O)[O-])cc2C1
AtomNum,"The molecule consists of 14 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",CCOC(=O)C(C(=O)NCc1cc(Br)cs1)C(C)(C)C
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 1 triple bond, 6 rotatable bonds, and 17 aromatic bonds.",CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1ccc(-n2cnnn2)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amide groups, 1 thioether group, and 1 sulfide group.",CC(=O)Nc1ccc(NC(=O)C(C)Sc2nccc(=O)[nH]2)cc1
AddComponent,Please add a amine to the molecule C[NH+]=C(NCc1ncc(C)s1)NC1CC1c1ccccc1F.,C[NH+]=C(NCc1ncc(C)s1)NC1C(N)C1c1ccccc1F
SubComponent,Modify the molecule hydroxyl by substituting a C=CC(C)(O)C=CC1=C(C)CC(OC)CC1(C)C with a thiol.,C=CC(C)(S)C=CC1=C(C)CC(OC)CC1(C)C
DelComponent,Modify the molecule nitrile by removing a N#Cc1ccc(N2CCC[NH+](Cc3ccc(SC(F)F)cc3)CC2)cc1.,FC(F)Sc1ccc(C[NH+]2CCCN(c3ccccc3)CC2)cc1
LogP,Modify the molecule CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1=O to have a lower LogP value.,CC(=O)C(F)(F)c1ccc(N2CCOCC2)c(NC(=O)CN2C(=O)NC(CC)(c3ccccc3)C2=O)c1
MR,Modify the molecule CCOc1cc(OC2CC(C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c2cccc(Cl)c2n1 to increase its MR value.,CCOc1cc(OC2CC(C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c2cccc(NO)c2n1
QED,Please optimize the molecule CC(C)CC(C)OS(=O)C(F)(F)F to have a higher QED value.,CC(Cc1ccccc1)CC(C)OS(=O)C(F)(F)F
AtomNum,"There is a molecule with 17 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",O=[N+]([O-])c1cc2c(c(CSc3nnnn3Cc3ccccc3)c1)OCOC2
BondNum,"Please generate a molecule consisting 15 single bonds, 3 double bonds, 1 triple bond, 11 rotatable bonds, and 12 aromatic bonds.",CCCCCCOc1ccc(C(=O)NNS(=O)(=O)Cc2ccc(F)cc2C#N)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, 1 amide group, 1 thioether group, and 1 sulfide group.",CSc1ccc(C=CC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1
AddComponent,Please add a hydroxyl to the molecule CC1CC(C)CN(C(=O)N2CCCC(NC(=O)c3ccc(F)c(F)c3)C2)C1.,CC1CC(C)CN(C(=O)N2CCCC(O)(NC(=O)c3ccc(F)c(F)c3)C2)C1
SubComponent,Substitute a CCC(CC)Sc1c2c(nc3c(-c4ccc(OC)cc4Cl)c(C)nn13)CCC2 in the molecule halo with a nitrile.,CCC(CC)Sc1c2c(nc3c(-c4ccc(OC)cc4C#N)c(C)nn13)CCC2
DelComponent,Please remove a benzene ring from the molecule O=Cc1ccc(OCc2cccc(C(=O)NCc3ccco3)c2)cc1.,O=Cc1ccc(OCC(=O)NCc2ccco2)cc1
LogP,Please modify the molecule CN(CCC[NH3+])S(=O)(=O)Nc1cccc2ccncc12 to increase its LogP value.,CN(CCC[NH3+])S(=O)(=O)c1cccc2ccncc12
MR,Please optimize the molecule Cc1c(OCc2cccc(-c3ccccc3)c2)cc2c(c1C)C(=O)C(C1CCCC1)C2 to have a lower MR value.,Cc1c(OCc2ccccc2)cc2c(c1C)C(=O)C(C1CCCC1)C2
QED,Modify the molecule CCC1C(=O)NCC[NH+]1C(CC(N)=S)c1ccccc1 to decrease its QED value.,CC(c1ccccc1)C1C(=O)NCC[NH+]1C(CC(N)=S)c1ccccc1
AtomNum,"The molecule contains 21 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(C([O-])=C2C(=O)C(=O)N(CC[NH+](C)C)C2c2cccs2)c(C)c1
BondNum,"Please generate a molecule composed of 8 single bonds, 1 triple bond, 5 rotatable bonds, and 12 aromatic bonds.",CCCc1ccc(NCc2cc(C#N)ccc2F)cc1
FunctionalGroup,"There is a molecule consisting of 1 ketone group, 1 amide group, and 1 sulfone group.",O=C1CCCC1C1COCCN1C(=O)C1CCS(=O)(=O)c2ccccc21
AddComponent,Modify the molecule COC(=O)C(CC(C)C)(C(=O)OC)C1CCCCC1 by adding a aldehyde.,COC(=O)C(CC(C)C)(C(=O)OC)C1CCCC(CC=O)C1
SubComponent,Substitute a hydroxyl in the molecule Cc1nc(SC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)[O-])n[nH]1 with a thiol.,Cc1nc(SC(=Cc2cc(C(C)(C)C)c(S)c(C(C)(C)C)c2)C(=O)[O-])n[nH]1
DelComponent,Remove a halo from the molecule O=S(C=Cc1ccc(Br)cc1)Cc1c(F)c(F)c(F)c(F)c1F.,O=S(C=Cc1ccccc1)Cc1c(F)c(F)c(F)c(F)c1F
LogP,Modify the molecule COc1cc(C(N)=[NH+]O)ccc1OCCC(C)C to decrease its LogP value.,COc1cc(C(N)=[NH+]O)c(O)cc1OCCC(C)C
MR,Optimize the molecule O=C(CNC(=O)c1ccc(Br)o1)NCC1(c2ccccc2)CCCCC1 to have a lower MR value.,O=C(CNC(=O)c1ccc(Br)o1)NCC1CCCCC1
QED,Modify the molecule O=C1C(Nc2cc(Cl)ccc2Cl)=C(Sc2ccccc2)C(=O)N1c1ccc(F)cc1 to decrease its QED value.,CC(=O)c1ccc(Cl)c(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(F)cc3)C2=O)c1
AtomNum,"There is a molecule with 10 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(Nc1ccc(Cl)cn1)N(CCO)CCO
BondNum,"The molecule contains 11 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCCNc1ncnc(NC(C)c2nncn2C)c1OC
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, and 3 amide groups.",CCCCNC(=O)C(c1ccccc1O)N(CCC)C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C
AddComponent,Modify the molecule CCOC(=O)Cc1ccc(C#N)cc1C(=O)C(C)Br by adding a carboxyl.,CCOC(=O)Cc1ccc(C#N)c(C(=O)O)c1C(=O)C(C)Br
SubComponent,Substitute a halo in the molecule C=CC[NH+](CCO)Cc1ccc(-c2ccc(Br)cc2)o1 with a nitro.,C=CC[NH+](CCO)Cc1ccc(-c2ccc(NO)cc2)o1
DelComponent,Please remove a benzene ring from the molecule CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc(F)c1.,CCOC(=O)c1c(Cl)csc1NC(=O)c1cccc(F)c1
LogP,Modify the molecule C=C(C)C=C(C)SCBr to decrease its LogP value.,C=C(C)C=C(C)SCC(=O)[OH]
MR,Modify the molecule CCCCCCCCCCC1(CBr)CCOC1C to have a lower MR value.,CCCCCCCCCCC1(CC(=O)[OH])CCOC1C
QED,Modify the molecule CC(CO)([NH2+]Cc1ccncc1)c1ccccc1 to have a higher QED value.,CC(=O)CC(C)([NH2+]Cc1ccncc1)c1ccccc1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 3 fluorine atoms.",CCC[NH2+]C(C)c1ccc(OCCC(F)(F)F)cc1
BondNum,"Please generate a molecule consisting 8 single bonds, 2 double bonds, 4 rotatable bonds, and 34 aromatic bonds.",COc1ccc(-c2cc(=O)c3c([O-])cc(O)cc3o2)cc1-c1cccc2c(=O)cc(-c3ccc(O)cc3)oc12
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ester group, and 1 halo group.",C[NH2+]C(CCC(=O)OC)c1ccc(OC)c(F)c1
AddComponent,Please add a carboxyl to the molecule COC(=O)c1cc(OC(F)F)c(F)cc1C#N.,COC(=O)c1c(C#N)cc(F)c(OC(F)F)c1C(=O)O
SubComponent,Modify the molecule nitrile by substituting a Cc1cc(C)c(N2CC=C(C#N)CC2)c(Cl)c1 with a hydroxyl.,Cc1cc(C)c(N2CC=C(O)CC2)c(Cl)c1
DelComponent,Remove a benzene ring from the molecule CC(C(=O)NCC(C(=O)NCc1cnc(N)s1)c1ccc(Cl)c(Cl)c1)[NH+](C)C.,CC(C(=O)NCC(Cl)(Cl)C(=O)NCc1cnc(N)s1)[NH+](C)C
LogP,Optimize the molecule COC(=O)[N-]S(=O)(=O)NC(CO)C(=O)OC to have a higher LogP value.,COC(=O)[N-]S(=O)(=O)NC(CS)C(=O)OC
MR,Modify the molecule OCc1c(SC2CCCCC2)nc2sccn12 to have a higher MR value.,SCc1c(SC2CCCCC2)nc2sccn12
QED,Modify the molecule CCC[NH+](CCN1CCN(c2ccc(-c3ccccc3)cc2O)CC1)C1CCc2nc(N)sc2C1 to have a higher QED value.,CCC[NH+](CCN1CCN(c2ccc(-c3ccccc3)cc2C#N)CC1)C1CCc2nc(N)sc2C1
AtomNum,"The molecule has 23 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COC(=O)COc1cccc2c1c(C(=O)C(N)=O)c(C1CC1)n2Cc1ccccc1
BondNum,"There is a molecule consisting of 9 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",CC(CCNc1nccc(C#N)c1Cl)C(=O)[O-]
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amide groups, and 1 halo group.",O=C(C1=NN(c2ccc(Br)cc2)C(=O)CC1)N1CC[NH+](C2CCCC2)CC1
AddComponent,Please add a benzene ring to the molecule CC([NH3+])C1C[NH+](CC2Cc3ccccc32)CCO1.,CC([NH3+])C1C[NH+](CC2Cc3ccccc32)CC(c2ccccc2)O1
SubComponent,Please substitute a halo in the molecule O=C(CC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1F with a hydroxyl.,O=C(CC(=O)Nc1ccc(F)cc1F)Nc1ccc(O)cc1F
DelComponent,Please remove a amide from the molecule COCC(NC(=O)Cn1nnc(-c2ccco2)n1)C(=O)[O-].,COCC(C(=O)[O-])n1nnc(-c2ccco2)n1
LogP,Optimize the molecule CCCCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2C1c1cccc(F)c1 to have a lower LogP value.,CCCCCN1C(=O)c2[nH]nc(-c3ccc(C#N)cc3)c2C1c1cccc(F)c1
MR,Modify the molecule COc1ccc(OC)c(NC(=O)N2CCOCC2C)c1 to have a higher MR value.,COc1ccc(OC)c(NC(=O)N2CCOCC2C)c1O
QED,Please modify the molecule CSC1CC[NH+](Cc2cccc(Cl)n2)C1 to decrease its QED value.,CSC1CC[NH+](Cc2nc(Cl)ccc2O)C1
AtomNum,"The molecule consists of 39 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 phosphorus atoms.",CC(CNC(=O)CCCCC1SCC2NC(=O)NC21)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
BondNum,"Please generate a molecule consisting 14 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cc1ccc(CCCC(=O)Nc2ccc3c(c2)OC(C)(C)C(=O)N3)s1
FunctionalGroup,The molecule contains and 1 nitro group.,COCCOCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1
AddComponent,Please add a benzene ring to the molecule C[NH+](C)CCCNC(=O)C1(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.,C[NH+](C)CCCNC(=O)C1(C(=O)Nc2ccc(C(F)(F)F)cc2-c2ccccc2)CC1
SubComponent,Modify the molecule hydroxyl by substituting a COc1cc(CNC(=O)c2nc(=O)c3c(OCCC4CC(O)(CO)CO4)c(F)ccc3[nH]2)ccc1F with a halo.,COc1cc(CNC(=O)c2nc(=O)c3c(OCCC4CC(I)(CO)CO4)c(F)ccc3[nH]2)ccc1F
DelComponent,Please remove a benzene ring from the molecule COc1cccc(-c2cncc(C#Cc3cccc(C)n3)c2)c1.,COc1cncc(C#Cc2cccc(C)n2)c1
LogP,Please optimize the molecule CCn1cc(CNC(=O)N2CCCC2(C)Cc2ccccc2)cn1 to have a lower LogP value.,CCn1cc(CNC(=O)N2CCCC2(C)C)cn1
MR,Please modify the molecule CC12CC3(C)CC(C)(C1)CC(C(=O)NO)(C2)C3 to increase its MR value.,CC12CC3(C)CC(C)(C1)CC(C(=O)NC(=O)[OH])(C2)C3
QED,Modify the molecule CC1(C)OC2C(c3ccc(C(C)(C)C)cc3)[NH2+]C(CO)C(O[Si](C)(C)C(C)(C)C)C2O1 to have a lower QED value.,CC1(C)OC2C(c3ccc(C(C)(C)C)cc3)[NH2+]C(CC#N)C(O[Si](C)(C)C(C)(C)C)C2O1
AtomNum,"The molecule consists of 18 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",Nc1ccc(S(=O)(=O)NC(N)C([NH3+])c2cccc3ccccc23)cc1
BondNum,"Please generate a molecule with 9 single bonds, 1 rotatable bond, and 12 aromatic bonds.",Cc1cnc(C2[NH2+]CCc3ccc(O)c(C)c32)cn1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, and 1 amide group.",CCCC1(O)CN(C(=O)C2C3CC4CC(C3)CC2C4)C1
AddComponent,Modify the molecule Cc1nccn1Cc1nnc(C2CCCN(C(=O)c3cc[nH]c3)C2)n1C by adding a hydroxyl.,Cc1nccn1Cc1nnc(C2(O)CCCN(C(=O)c3cc[nH]c3)C2)n1C
SubComponent,Modify the molecule FC(F)(F)Oc1nc(CCl)ccc1Br by substituting a halo with a nitrile.,N#CC(F)(F)Oc1nc(CCl)ccc1Br
DelComponent,Modify the molecule benzene ring by removing a CC(C)C(=O)SCC(NC(=O)C(C)(C)SC(=O)OCOC(=O)c1ccccc1)C(=O)[O-].,CC(C)C(=O)SCC(NC(=O)C(C)(C)SC(=O)OCOC=O)C(=O)[O-]
LogP,Modify the molecule COc1cc(C2C(C(=O)OCc3ccccc3)=C(C)Nc3nc(SCc4ccccc4Cl)nn32)ccc1OCc1ccc(C(C)(C)C)cc1 to decrease its LogP value.,COc1cc(C2C(C(=O)OCc3ccccc3)=C(C)Nc3nc(SCc4ccccc4S)nn32)ccc1OCc1ccc(C(C)(C)C)cc1
MR,Please modify the molecule O=C(CSc1cc(Cl)ccc1Cl)NC(=O)NC1CCS(=O)(=O)C1 to increase its MR value.,O=C(CSc1cc(C(=O)[OH])ccc1Cl)NC(=O)NC1CCS(=O)(=O)C1
QED,Optimize the molecule CC(C)CC1COc2ccccc2C(=O)NC(C(=O)NCCc2ccc(F)cc2)CC(=O)NC(CC(C)C)C(=O)N1 to have a lower QED value.,CC(C)CC1COc2ccccc2C(=O)NC(C(=O)NCCc2ccc(F)cc2)CC(=O)NC(C(O)C(C)C)C(=O)N1
AtomNum,"Please generate a molecule with 11 carbon atoms, 4 nitrogen atoms, and 4 fluorine atoms.",NNc1ccnc(-c2ccc(F)cc2C(F)(F)F)n1
BondNum,"Please generate a molecule with 14 single bonds, 3 double bonds, 4 rotatable bonds, and 24 aromatic bonds.",O=C1c2ccccc2OC(c2ccccc2)C12ON=C(c1ccccc1)C2c1ccc([N+](=O)[O-])cc1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 4 halo groups, and 1 sulfone group.",CCC(C)c1cccc(Oc2c(F)c(F)c(F)c(S(=O)(=O)[O-])c2F)c1
AddComponent,Add a hydroxyl to the molecule COc1cc(Br)c(C[NH+]2CCC3(CC[NH2+]C3)C2)cc1O.,COc1c(O)cc(C[NH+]2CCC3(CC[NH2+]C3)C2)c(Br)c1O
SubComponent,Please substitute a halo in the molecule O=C([O-])c1coc(CSc2cccc(F)c2)c1 with a carboxyl.,O=C([O-])c1coc(CSc2cccc(C(=O)[OH])c2)c1
DelComponent,Remove a benzene ring from the molecule COCc1cccc(CNC(=O)NCCC[NH+]2CCOCC2)c1.,COCCNC(=O)NCCC[NH+]1CCOCC1
LogP,Please modify the molecule O=C([O-])C1C[NH+](Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 to decrease its LogP value.,O=C([O-])C1C[NH+](Cc2cc(Cl)cc(Cl)c2)C1
MR,Modify the molecule CCC1OCCC1C([NH3+])c1ccccc1F to decrease its MR value.,CCC1OCCC1C([NH3+])F
QED,Modify the molecule CCOC(=O)c1ccc(Nc2nc(N)c(C(=O)c3c(F)cccc3F)s2)cn1 to decrease its QED value.,CCOC(=O)c1ccc(Nc2nc(N)c(C(=O)c3c(F)cccc3S)s2)cn1
AtomNum,"The molecule is composed of 42 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCCCCC=CCC=CCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)=NNC(=O)CC[NH+](C)C
BondNum,"The molecule is composed of 17 single bonds, 2 rotatable bonds, and 5 aromatic bonds.",C1CC2COC(c3noc(C4CCOC4)n3)C[NH+]2C1
FunctionalGroup,"Please generate a molecule with 1 amine group, 1 sulfide group, and 1 sulfone group.",CCc1cnc(CNS(=O)(=O)CCC[NH2+]C(C)C)s1
AddComponent,Please add a hydroxyl to the molecule CC(=O)C1(Br)CCCCC1=O.,CC(=O)C1(Br)CC(O)CCC1=O
SubComponent,Substitute a hydroxyl in the molecule CCCn1nccc1-c1[nH]c(CO)c[nH+]1 with a aldehyde.,CC(=O)Cc1c[nH+]c(-c2ccnn2CCC)[nH]1
DelComponent,Modify the molecule halo by removing a COc1cncc(C2(F)CCC([NH3+])C2)c1.,COc1cncc(C2CCC([NH3+])C2)c1
LogP,Please modify the molecule COCCN(CCO)c1ccc(N)c(C(N)=O)c1 to increase its LogP value.,COCCN(CCC(=O)[OH])c1ccc(N)c(C(N)=O)c1
MR,Modify the molecule COC(=O)Cc1cc2c(s1)NC(=O)C(C)N=C2c1ccccc1Cl to have a higher MR value.,COC(=O)Cc1cc2c(s1)NC(=O)C(C)N=C2c1cccc(CC=O)c1Cl
QED,Please optimize the molecule COC(=O)C=C(C)c1cc(OC)ccc1OC to have a lower QED value.,COC(=O)C=C(C)c1c(OC)ccc(OC)c1S
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CCc1nc(C2CCN(C(=O)Cc3cccs3)CC2)n[nH]1
BondNum,"Please generate a molecule with 13 single bonds, 3 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",O=C1OC(=O)C2C3=CC1C2C(c1ccccc1)(c1ccccc1)C3
FunctionalGroup,There is a molecule with and 1 sulfone group.,O=S(=O)([O-])CCC1(C2CCCCC2)C=CC=N1
AddComponent,Modify the molecule Cc1cc(CNC(=O)N2CC[NH+]3CCCCC3C2)no1 by adding a aldehyde.,O=CCCc1cc(CNC(=O)N2CC[NH+]3CCCCC3C2)no1
SubComponent,Substitute a hydroxyl in the molecule CC1OC2CC3(O)CC(OC3=O)C2O1 with a carboxyl.,CC1OC2CC3(C(=O)[OH])CC(OC3=O)C2O1
DelComponent,Remove a CC(C)NS(=O)(=O)c1cccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)c1 from the molecule benzene ring.,CC(C)NS(=O)(=O)NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1
LogP,Please modify the molecule CC(NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CCOCC3)ccc2c1=O)C(F)(F)C(F)(F)F to increase its LogP value.,CC(=O)c1cnc(-n2cc(C(=O)NC(C)C(F)(F)C(F)(F)F)c(=O)c3ccc(N4CCOCC4)nc32)c(F)c1
MR,Please modify the molecule Nc1c(C(=O)c2ccc(F)cc2F)ccc(=O)n1-c1ccc(CCO)cc1 to decrease its MR value.,CCc1ccc(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)cc1
QED,Modify the molecule CCN(CC(C)(C)O)S(=O)(=O)c1ccc(C(C)=O)cc1 to decrease its QED value.,CCN(CC(C)C)S(=O)(=O)c1ccc(C(C)=O)cc1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCCCC(CC)CNc1ccc(N)cc1C(N)=O
BondNum,"Please generate a molecule with 10 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",COc1cc(Br)ccc1C(=O)NCCCCBr
FunctionalGroup,"There is a molecule consisting of 1 ketone group, and 1 sulfide group.",C[NH2+]CC(=O)c1ccc2oc(=O)sc2c1
AddComponent,Add a amine to the molecule CCc1[nH+]ccn1CC([NH2+]C1CC1)C(N)=O.,CCc1[nH+]ccn1CC([NH2+]C1CC1N)C(N)=O
SubComponent,Substitute a Cc1nc(N)sc1SCC(=O)Nc1ncc(Cl)cc1Cl in the molecule halo with a aldehyde.,CC(=O)c1cnc(NC(=O)CSc2sc(N)nc2C)c(Cl)c1
DelComponent,Remove a hydroxyl from the molecule CCCCOC(=O)C1(O)C(=O)c2cccc(CCCC)c2C1=O.,CCCCOC(=O)C1C(=O)c2cccc(CCCC)c2C1=O
LogP,Please modify the molecule COc1cc(C[NH2+]C(C)CCc2ccccc2)ccc1OCCc1ccccc1 to increase its LogP value.,COc1cc(C[NH2+]C(CCc2ccccc2)Cc2ccccc2)ccc1OCCc1ccccc1
MR,Please optimize the molecule CC(C)c1nc(C[NH2+]Cc2ccc(F)c(F)c2)nn1-c1ccc(S(N)(=O)=O)cc1 to have a higher MR value.,CC(C)c1nc(C[NH2+]Cc2ccc(F)c(F)c2-c2ccccc2)nn1-c1ccc(S(N)(=O)=O)cc1
QED,Modify the molecule CC1CCN(C(=O)c2cc(NC(=O)C[NH+]3CCC(C(=O)NCC(=O)Nc4cc(NC(=O)C5CCCCC5)ccc4F)CC3)ccc2Cl)CC1 to decrease its QED value.,CC1CCN(C(=O)c2cc(NC(=O)C[NH+]3CCC(C(=O)NCC(=O)Nc4cc(NC(=O)C5CCCCC5)ccc4C(=O)[OH])CC3)ccc2Cl)CC1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",Cc1cccc(NCC(=O)NC(=O)NCC(F)(F)F)c1C
BondNum,"The molecule has 27 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",COc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1N1CCCC1=O
FunctionalGroup,"There is a molecule composed of 2 thioether groups, and 1 sulfide group.",CCCSCc1cc(C)no1
AddComponent,Add a hydroxyl to the molecule CS(=O)(=O)CCNc1cc(N)c(C(=O)NC2CC2)s1.,CS(=O)(=O)CC(O)Nc1cc(N)c(C(=O)NC2CC2)s1
SubComponent,Please substitute a halo in the molecule COc1ccccc1NC(=O)CC(=O)NN=Cc1ccc(OCc2ccccc2Cl)c(OC)c1 with a hydroxyl.,COc1ccccc1NC(=O)CC(=O)NN=Cc1ccc(OCc2ccccc2O)c(OC)c1
DelComponent,Modify the molecule hydroxyl by removing a NC(=S)c1cccc(NC(=O)c2ccc(F)cc2O)c1.,NC(=S)c1cccc(NC(=O)c2ccc(F)cc2)c1
LogP,Optimize the molecule CC(C)[NH2+]C(C)(CO)CCn1cc(C(F)(F)F)cn1 to have a lower LogP value.,CC(C)[NH2+]C(C)(CO)CCn1cc(C(F)F)cn1
MR,Please optimize the molecule Cc1cc(C)c(C(=O)N2CC[NH2+]CC2)cc1N to have a higher MR value.,Cc1cc(C)c(C(=O)N2CC[NH2+]CC2)c(N)c1N
QED,Please optimize the molecule CC(CCC(=O)OCOC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C to have a higher QED value.,CC(=O)C1CC2CC(O)CCC2(C)C2CCC3(C)C(C(C)CCC(=O)OCOC(=O)CCC(C)C4CCC5C6C(O)CC7CC(O)CCC7(C)C6CCC45C)CCC3C12
AtomNum,"There is a molecule composed of 14 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 bromine atom.",COc1cnc2n[nH]c(C(=O)Nc3cccc(Br)c3)c2c1
BondNum,"The molecule is composed of 20 single bonds, 2 double bonds, and 2 rotatable bonds.",CCC1CCC2(CC1)NC(=O)N(C1CCSCC1)C2=O
FunctionalGroup,"The molecule consists of 1 amide group, 1 amine group, and 1 halo group.",CCNc1ccc(Cl)c(C(=O)N(C)CC2CCCO2)n1
AddComponent,Please add a benzene ring to the molecule Cc1cc(=O)cc(C)n1-c1cc(Br)ccn1.,Cc1cc(=O)cc(Cc2ccccc2)n1-c1cc(Br)ccn1
SubComponent,Please substitute a nitrile in the molecule COC(=O)C(Br)=Cc1ccc(C#N)cc1[N+](=O)[O-] with a thiol.,COC(=O)C(Br)=Cc1ccc(S)cc1[N+](=O)[O-]
DelComponent,Please remove a benzene ring from the molecule Cc1cc(C)c(C[NH2+]CCn2ccnn2)cc1C.,CCCC[NH2+]CCn1ccnn1
LogP,Please modify the molecule Cc1nnc(C[NH+]=C(NC2CCCCC2)NC2CCOc3ccccc32)n1C to increase its LogP value.,Cc1nnc(C[NH+]=C(NC2CCCCC2)C2CCOc3ccccc32)n1C
MR,Please optimize the molecule CN(CC(=O)N1CCCC1)C(=O)C(C#N)c1ccccc1 to have a higher MR value.,CN(CC(=O)N1CCCC1)C(=O)C(O)(C#N)c1ccccc1
QED,Please optimize the molecule O=P([O-])([O-])OCCCCCCCCCCCCCCCCCCCCCCCCCCC(=S)S to have a lower QED value.,O=P([O-])([O-])OCCCCCCCCCCCCCCCCCCCCCCCCCCC(=S)Br
AtomNum,"There is a molecule consisting of 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CCc1cnc(C[NH2+]C2CSCc3ccccc32)o1
BondNum,"The molecule is composed of 7 single bonds, 2 double bonds, 6 rotatable bonds, and 10 aromatic bonds.",CS(=O)(=O)NCC[NH2+]Cc1csc2ccccc12
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 1 ketone group, 1 ester group, 1 amide group, 1 halo group, and 1 sulfide group.",COC(=O)c1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1
AddComponent,Add a benzene ring to the molecule CCC(=O)Nc1ccc(NC(C)CC(C)(C)OC)cc1.,COC(C)(C)CC(C)Nc1ccc(NC(=O)C(C)c2ccccc2)cc1
SubComponent,Modify the molecule halo by substituting a CCC(Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1cc(C)cc(C)c1 with a hydroxyl.,CCC(Oc1ccc(=O)n(-c2ccc(O)cc2)n1)C(=O)Nc1cc(C)cc(C)c1
DelComponent,Please remove a amine from the molecule Cc1[nH+]c(S(=O)(=O)NCCC(=O)NCC2(C)CC[NH2+]CC2)cn1C.,Cc1[nH+]c(S(=O)(=O)CCC(=O)NCC2(C)CC[NH2+]CC2)cn1C
LogP,Please optimize the molecule CCNC(NCCCCSC)=[NH+]Cc1cccnc1N1CCCC(C(N)=O)C1 to have a higher LogP value.,CCNC(CCCCSC)=[NH+]Cc1cccnc1N1CCCC(C(N)=O)C1
MR,Optimize the molecule CCCCN(CC(F)(F)F)C(=O)c1ccc(N)cc1 to have a lower MR value.,CCCCN(CC(F)(F)F)C(=O)c1ccccc1
QED,Modify the molecule Fc1ccc2c(c1)CC[NH+](Cc1nc(CCc3ccccc3)no1)C2 to decrease its QED value.,O=C([OH])c1ccc2c(c1)CC[NH+](Cc1nc(CCc3ccccc3)no1)C2
AtomNum,"There is a molecule consisting of 20 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",O=C(Nc1ccccc1OCC1CCCCO1)c1ccccc1C(F)(F)F
BondNum,"There is a molecule with 9 single bonds, 2 double bonds, 1 triple bond, 4 rotatable bonds, and 11 aromatic bonds.",CCc1oc(C(=O)OC)cc1Cn1ccc(C)c(C#N)c1=O
FunctionalGroup,"The molecule consists of 3 benzene ring groups, and 1 hydroxyl group.",Cc1cc(Cc2ccc(O)cc2-c2ccc(OCC[NH3+])cc2)ccc1C[NH+]1CCCC1
AddComponent,Please add a hydroxyl to the molecule C#CCCC([NH3+])C(OC)C1CCCCC1.,C#CCCC([NH3+])C(OCO)C1CCCCC1
SubComponent,Substitute a halo in the molecule Cc1ccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)N4CCCC4)c3)CC2)cc1NC(=O)c1ccccc1F with a nitrile.,Cc1ccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C#N)c(C(=O)N4CCCC4)c3)CC2)cc1NC(=O)c1ccccc1F
DelComponent,Modify the molecule amine by removing a C[NH2+]CC(C)CNc1cnn(CC[NH+](C)C)c(=O)c1Br.,C[NH2+]CC(C)Cc1cnn(CC[NH+](C)C)c(=O)c1Br
LogP,Optimize the molecule NC(=[NH+]O)c1ccc(Cl)cc1OCOCc1ccccc1 to have a lower LogP value.,NC(=[NH+]O)c1ccc(S)cc1OCOCc1ccccc1
MR,Optimize the molecule COCC[NH2+]C(C)C(O)c1cccc(OC)c1 to have a higher MR value.,COc1cccc(C(O)C(C)[NH2+]CCOCO)c1
QED,Modify the molecule CC1CCC(=O)C2CC(C)(C)C(O)C12 to have a higher QED value.,CC1CCC(=O)C2CC(C)(C)C(NO)C12
AtomNum,"There is a molecule composed of 15 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",C[NH2+]C(Cc1cc(F)cc(F)c1)Cc1cn2ccsc2[nH+]1
BondNum,"There is a molecule composed of 9 single bonds, 4 double bonds, 3 rotatable bonds, and 22 aromatic bonds.",O=C1C(=Cc2cccs2)C(=O)N(c2cccc3ccccc23)C(=S)N1c1ccccc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amide groups, and 4 halo groups.",CC(C)C1C(=O)NCCN1C(=O)c1ccc(F)c(C(F)(F)F)c1
AddComponent,Add a benzene ring to the molecule Cc1ncn(-c2ccc(S(N)(=O)=O)c(N)c2)c1C.,Cc1ncn(-c2ccc(S(N)(=O)=O)c(N)c2)c1Cc1ccccc1
SubComponent,Substitute a halo in the molecule Cc1c(CC2(NC(=O)C3=C(c4ccc(CCCOc5c(F)ccc(F)c5Cl)cc4)CC4CS(=O)(=O)CC3N4C(=O)OC(C)(C)C)CC2)ccnc1OCCCO[Si](C)(C)C(C)(C)C with a nitrile.,Cc1c(CC2(NC(=O)C3=C(c4ccc(CCCOc5c(C#N)ccc(F)c5Cl)cc4)CC4CS(=O)(=O)CC3N4C(=O)OC(C)(C)C)CC2)ccnc1OCCCO[Si](C)(C)C(C)(C)C
DelComponent,Remove a C#CCC(O)C(CC=C)C(=O)OC from the molecule hydroxyl.,C#CCCC(CC=C)C(=O)OC
LogP,Please optimize the molecule c1ccc(COc2ccc(-n3cncc3-c3ccncc3)cc2)cc1 to have a lower LogP value.,COc1ccc(-n2cncc2-c2ccncc2)cc1
MR,Optimize the molecule CC(C)(C)c1ccc(C(C)(C)OO)cc1 to have a higher MR value.,CC(C)(CS)c1ccc(C(C)(C)OO)cc1
QED,Modify the molecule CSCCC([NH3+])C(=O)NC(CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C(C)O)C(C)C to have a higher QED value.,CSCCC([NH3+])C(=O)NC(CCC(=O)[O-])C(=O)NC(C)(C)C(C(=O)[O-])C(C)O
AtomNum,"The molecule contains 17 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",O=C(Oc1ccccc1)N1CC(C(F)S(=O)(=O)c2ccccc2)OC1=O
BondNum,"There is a molecule consisting of 13 single bonds, 6 rotatable bonds, and 18 aromatic bonds.",Cc1cccc(Nc2cncc(C3CC[NH+](CCc4ccccc4)CC3)n2)n1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 amide groups, and 1 halo group.",O=C(NCCc1ccccn1)C(=O)Nc1ccc(F)cc1
AddComponent,Modify the molecule CCC1(C)CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 by adding a aldehyde.,CCC1(C)CCN(S(=O)(=O)c2c(C)ccc(Br)c2CC=O)CC1
SubComponent,Please substitute a halo in the molecule CC(C)C(Br)C(=O)N1CCCC(CNS(N)(=O)=O)C1 with a thiol.,CC(C)C(S)C(=O)N1CCCC(CNS(N)(=O)=O)C1
DelComponent,Modify the molecule CC(=O)N1CCc2cc(S(=O)(=O)n3c(CCC(=O)[O-])cc4cc(Cl)ccc43)ccc21 by removing a amide.,O=C([O-])CCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2c(c1)CC2
LogP,Modify the molecule CC1O[NH+]=C(C(C)(CC2CC2)NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)N1C to decrease its LogP value.,CC1O[NH+]=C(C(C)(CC2CC2)NC(=O)c2ncc(C3CC3)c(OCC(F)(F)F)c2O)N1C
MR,Modify the molecule Cc1c(C(C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cnn1-c1ccccc1 to have a lower MR value.,Cc1c(C(C)NC(=O)CCS(=O)(=O)N2CCCCCC2)cnn1-c1ccccc1
QED,Please optimize the molecule Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1 to have a higher QED value.,Fc1ccccc1-c1cncc2[nH]c(-c3n[nH]c4ccc(-c5cccnc5)cc34)cc12
AtomNum,"There is a molecule consisting of 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCNC(NC(C)C)=[NH+]CC(C)(C)c1cccc(OC)c1
BondNum,"The molecule consists of 19 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)C(C=O)C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 hydroxyl group.",CCc1ccc(CC)c(CC)c1O
AddComponent,Modify the molecule CC(=O)N1CC[NH+](Cc2ccc(-c3cc4c(C)cccc4c[n+]3[O-])cc2)CC1 by adding a hydroxyl.,CC(=O)N1CC[NH+](C(O)c2ccc(-c3cc4c(C)cccc4c[n+]3[O-])cc2)CC1
SubComponent,Please substitute a hydroxyl in the molecule Cc1nc2cc(N=Cc3c(O)ccc4ccccc34)ccc2n1C with a nitrile.,Cc1nc2cc(N=Cc3c(C#N)ccc4ccccc34)ccc2n1C
DelComponent,Modify the molecule benzene ring by removing a Brc1ccc(-c2csc(NN=Cc3cccnc3)n2)cc1.,Brc1csc(NN=Cc2cccnc2)n1
LogP,Modify the molecule CC(=O)c1cc2c(Cl)snc2s1 to have a lower LogP value.,CC(=O)c1cc2csnc2s1
MR,Optimize the molecule CCCCc1nc(C)n(Cc2ccc(Cl)s2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1 to have a higher MR value.,Cc1nc(CCC(C)c2ccccc2)c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n1Cc1ccc(Cl)s1
QED,Please modify the molecule CC1CCCC1Cn1c(CCl)nc2ccc(Br)cc21 to increase its QED value.,CC1CCCC1Cn1c(CCl)nc2ccccc21
AtomNum,"There is a molecule with 13 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",O=S(=O)(C1CC2CCC1C2)N1CCCC(CO)C1
BondNum,"The molecule contains 13 single bonds, 2 rotatable bonds, and 17 aromatic bonds.",CC(C)ON1Cc2ccccc2-c2nnn(C(C)(C)C)c2-c2ccccc21
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ketone group, 1 ester group, 1 amide group, and 1 sulfide group.",Cc1c(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)sc2ccccc12
AddComponent,Add a benzene ring to the molecule CCS(=O)(=O)C1CSCCN1c1ccc(C(C)=O)cc1F.,CC(=O)c1ccc(N2CCSCC2S(=O)(=O)C(C)c2ccccc2)c(F)c1
SubComponent,Modify the molecule halo by substituting a O=C(NC([NH2+]Cc1ccccc1)C(Cl)Cl)c1ccc([N+](=O)[O-])cc1 with a thiol.,O=C(NC([NH2+]Cc1ccccc1)C(S)Cl)c1ccc([N+](=O)[O-])cc1
DelComponent,Modify the molecule benzene ring by removing a C=C1CCC(CCCCOc2ccccc2)C1CC1OC1CCC(O)(O)C(=O)[O-].,C=C1CCC(CCCCO)C1CC1OC1CCC(O)(O)C(=O)[O-]
LogP,Optimize the molecule C=CCc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(OC)c1O to have a lower LogP value.,C=CCc1cc(C[NH2+]CCc2ccccc2)cc(OC)c1O
MR,Please optimize the molecule C[NH+](CC(=O)Nc1nnc(C(C)(C)C)s1)CC1CCCO1 to have a higher MR value.,C[NH+](CC(=O)Nc1nnc(C(C)(C)C)s1)CC1(CC=O)CCCO1
QED,Modify the molecule [NH3+]Cc1ncc(-c2c(F)ccc([N+](=O)[O-])c2F)o1 to have a lower QED value.,[NH3+]Cc1ncc(-c2cc([N+](=O)[O-])ccc2F)o1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 2 chlorine atoms.",O=C(NC1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1cccc(Cl)c1
BondNum,"The molecule consists of 9 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",c1cc(-c2cncn2CC2COCC[NH2+]2)ccn1
FunctionalGroup,Please generate a molecule composed of and 2 benzene ring groups.,CCC(C)(Pc1ccccc1C=NC)c1cccc(OC)c1OCOC
AddComponent,Please add a benzene ring to the molecule CC(=O)NCC(CCl)OC(=O)OCc1ccccc1.,O=C(Cc1ccccc1)NCC(CCl)OC(=O)OCc1ccccc1
SubComponent,Please substitute a halo in the molecule CC(C)(C)c1nc(C(=O)CBr)cc(C2(C)CC2)n1 with a thiol.,CC(C)(C)c1nc(C(=O)CS)cc(C2(C)CC2)n1
DelComponent,Remove a benzene ring from the molecule CCN(CC)c1ccc(NC(=S)N(Cc2ccccc2)C(C)C)c(C)c1.,CCN(CC)N(C)C(=S)N(Cc1ccccc1)C(C)C
LogP,Optimize the molecule O=C(Cc1cccc(Cl)c1F)CC1CCC1 to have a lower LogP value.,O=C(Cc1cccc(Cl)c1F)CC1CCC1C(=O)O
MR,Please optimize the molecule C1=CN(C2C=CC(n3c(-c4ccccc4)nc4ccccc43)CC2)c2cccc3cc4oc5ccccc5c4c1c23 to have a higher MR value.,Oc1cc2c3c(c4c(cc3c1)oc1ccccc14)C=CN2C1C=CC(n2c(-c3ccccc3)nc3ccccc32)CC1
QED,Modify the molecule N#Cc1ccc(CCOC(=O)N2CC[NH+](CCCc3ccccc3)CC2)cc1 to have a lower QED value.,N#Cc1ccc(CCOC(=O)N2CC[NH+](CCCc3ccccc3)C(S)C2)cc1
AtomNum,"The molecule contains 17 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1cc(N2CCCC([NH3+])C2)ccc1OC1CCCOC1
BondNum,"There is a molecule with 9 single bonds, 2 double bonds, 5 rotatable bonds, and 10 aromatic bonds.",Cc1cc(CCNS(=O)(=O)c2c(C)noc2C)c(C)[nH]1
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,CN(c1ccccc1)c1cccc(=O)[nH]1
AddComponent,Please add a benzene ring to the molecule OC(CC1CCOc2ccccc21)C(O)C1CC1.,OC(CC1CCOc2cc(-c3ccccc3)ccc21)C(O)C1CC1
SubComponent,Substitute a O=C(N1CCN(c2ccc(Cl)c(Cl)c2)CC1)n1ncc(C(O)(c2ccccc2)c2ccccc2)n1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(N2CCN(C(=O)n3ncc(C(O)(c4ccccc4)c4ccccc4)n3)CC2)cc1Cl
DelComponent,Modify the molecule CCCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 by removing a benzene ring.,CCCON(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl
LogP,Please optimize the molecule Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1C(c1cccc(O)c1)CC(=O)N2 to have a lower LogP value.,Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1C(c1cccc(C(=O)[OH])c1)CC(=O)N2
MR,Please modify the molecule CC1COC23CCCCC2n2cc(C(=O)NCc4ccc(F)c(Cl)c4F)c(=O)c([O-])c2C(=O)N13 to increase its MR value.,CC1COC23CCCCC2n2cc(C(=O)NCc4ccc(NO)c(Cl)c4F)c(=O)c([O-])c2C(=O)N13
QED,Please modify the molecule CC(C)C(CCO)NC(=O)CNC(=O)Nc1ccccc1 to decrease its QED value.,CC(C)C(CCNO)NC(=O)CNC(=O)Nc1ccccc1
AtomNum,"The molecule consists of 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC(O)C1CC[NH+](CC(C)C([NH3+])c2ccccc2)CC1
BondNum,"Please generate a molecule composed of 5 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",O=C(Nc1ccc(F)cn1)Oc1ccccc1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 ester group, 2 amide groups, 2 halo groups, and 1 sulfide group.",O=C(NN=Cc1ccccc1OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccccc1Cl
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C)n1NC1CCCC1O.,Cc1cc(-c2ccccc2)c(C)n1NC1CCCC1O
SubComponent,Modify the molecule Cn1cc(C2(C)C[NH+](CC(O)c3ccccc3Cl)CCO2)cn1 by substituting a hydroxyl with a thiol.,Cn1cc(C2(C)C[NH+](CC(S)c3ccccc3Cl)CCO2)cn1
DelComponent,Modify the molecule amide by removing a CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4cc(OC)cc(OC)c4)c(C)c23)CC1.,CCC[NH+]1CCN(c2ncnc3s-c(C)(-c4cc(OC)cc(OC)c4)c23)CC1
LogP,Optimize the molecule O=C(Nc1c(Cl)cccc1Cl)OCc1cccc(Br)c1 to have a lower LogP value.,O=C(Nc1c(Cl)cccc1Cl)OCc1ccc(O)c(Br)c1
MR,Modify the molecule COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1Br to decrease its MR value.,COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1NO
QED,Modify the molecule COCCn1c(SC(C)C(=O)NC(=O)NCC(C)C)nc2cc(Cl)ccc21 to decrease its QED value.,COCCn1c(SC(C)C(=O)NC(=O)NCC(C)C)nc2cc(NO)ccc21
AtomNum,"Please generate a molecule with 18 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 silicon atom.",CC[Si](C#Cc1nc2c(c3c1CCC3)C(=O)OC2)(CC)CC
BondNum,"There is a molecule with 15 single bonds, 4 double bonds, 8 rotatable bonds, and 23 aromatic bonds.",CCOC(=O)c1cnc(C(Cc2ccc(OC(=O)c3ccccc3)cc2)N2C(=O)c3ccccc3C2=O)o1
FunctionalGroup,"There is a molecule composed of 1 amine group, 1 thioether group, and 1 sulfide group.",CSc1cc(NC(C)Cn2cccn2)ncn1
AddComponent,Modify the molecule CCC1CCC(NC(=O)CCNC(=O)c2ccco2)(C(=O)[O-])CC1 by adding a hydroxyl.,CCC1CCC(NC(=O)CCNC(=O)c2ccco2)(C(=O)[O-])C(O)C1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(F)cc1NC(=O)c1cccc(C)c1NC(=O)C(C)NC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)Nc3c(F)cccc3F)ccc2C)CC1 with a carboxyl.,Cc1ccc(C(=O)[OH])cc1NC(=O)c1cccc(C)c1NC(=O)C(C)NC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)Nc3c(F)cccc3F)ccc2C)CC1
DelComponent,Modify the molecule CCCCCCCCCCCCCCCCCCC(C)CC(C)C=C(C)C(=O)OC1C(CO)OC(OC2OC(COC(=O)C(C)C(O)C(C)CC(C)CCCCCCCCCCCCCCCCCC)C(O)C(OC(=O)C(C)=CC(C)CC(C)CCCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)C(OC(=O)C(C)=CC(C)CC(C)CCCCCCCCCCCCCCCCCC)C1O by removing a hydroxyl.,CCCCCCCCCCCCCCCCCCC(C)CC(C)C=C(C)C(=O)OC1C(CO)OC(OC2OC(COC(=O)C(C)C(O)C(C)CC(C)CCCCCCCCCCCCCCCCCC)CC(OC(=O)C(C)=CC(C)CC(C)CCCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)C(OC(=O)C(C)=CC(C)CC(C)CCCCCCCCCCCCCCCCCC)C1O
LogP,Modify the molecule CO[Si](O)(O)O[Si](O)(OC)O[Si](O)(O[Si](C)(OC)c1ccccc1)c1ccccc1 to have a higher LogP value.,CO[Si](O)O[Si](O)(OC)O[Si](O)(O[Si](C)(OC)c1ccccc1)c1ccccc1
MR,Modify the molecule Cc1ccc(-c2nc(C)nc(N)n2)c(Nc2cncc(F)c2)n1 to have a lower MR value.,Cc1ccc(-c2ncnc(C)n2)c(Nc2cncc(F)c2)n1
QED,Modify the molecule O=C([O-])N(C(=O)CCBr)c1cccc2ccccc12 to have a lower QED value.,CCC(=O)N(C(=O)[O-])c1cccc2ccccc12
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",C=CCCC(=O)N1CCCC1(C)C(=O)[O-]
BondNum,"The molecule is composed of 14 single bonds, 5 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C(N)=O)c(OC)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 nitro group.",O=[N+]([O-])c1cc(-c2nc3ccccc3o2)ccc1C1CCOCC1
AddComponent,Please add a benzene ring to the molecule CCCCCCCCCCC(O)C[NH2+]CCCCC([NH3+])C(=O)[O-].,[NH3+]C(CCCC[NH2+]CC(O)CCCCCCCCCCc1ccccc1)C(=O)[O-]
SubComponent,Please substitute a hydroxyl in the molecule O=C(OCC1CC[NH+](CCCOc2ccccc2)C1)C(O)(c1ccccc1)C1CCCC1 with a nitro.,ONC(C(=O)OCC1CC[NH+](CCCOc2ccccc2)C1)(c1ccccc1)C1CCCC1
DelComponent,Please remove a amide from the molecule Cc1noc(C)c1CC(=O)Nc1ccc(Sc2nncn2C)cc1.,Cc1noc(C)c1-c1ccc(Sc2nncn2C)cc1
LogP,Please modify the molecule CC(C)[NH+]1CCCC2CC(O)CC21 to increase its LogP value.,CC(C)[NH+]1CCCC2CCCC21
MR,Modify the molecule Cc1ccc(C(=O)N2CCN(C(=O)NC3CCc4c(Br)cccc43)CC2)o1 to decrease its MR value.,Cc1ccc(C(=O)N2CCN(C(=O)NC3CCc4ccccc43)CC2)o1
QED,Modify the molecule O=C1NCC(=O)N(CC(F)(F)F)C1c1ccccc1 to decrease its QED value.,ONC(F)(F)CN1C(=O)CNC(=O)C1c1ccccc1
AtomNum,"The molecule consists of 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1cccnc1-c1noc(C2CC3CCC2O3)n1
BondNum,"Please generate a molecule composed of 16 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(COc2ccccc2CC2C(O)C3CC[NH+]2CC3)cc1
FunctionalGroup,There is a molecule with and 2 sulfide groups.,COCc1nc(N(C)C(C)c2cccs2)sc1C[NH3+]
AddComponent,Modify the molecule CCCc1cc(C(C)=O)ccc1OCc1ccc(C(=O)[O-])cc1OC by adding a benzene ring.,COc1cc(C(=O)[O-])ccc1COc1ccc(C(C)=O)cc1CCCc1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cn1 with a thiol.,Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(S)cn1
DelComponent,Please remove a hydroxyl from the molecule C=CC(Oc1cc(CC(CC([NH3+])C(O)CC(C)C(=O)[O-])C(C)C)ccc1C(C)(C)C)C(=O)OC.,C=CC(Oc1cc(CC(CC([NH3+])CCC(C)C(=O)[O-])C(C)C)ccc1C(C)(C)C)C(=O)OC
LogP,Modify the molecule CCCN1c2ccccc2CC1C(C)[NH3+] to have a lower LogP value.,CCCN1c2ccccc2CC1(O)C(C)[NH3+]
MR,Please optimize the molecule COc1ccc2[nH]cc(C=C3C(=O)Nc4ccc(S(=O)(=O)[O-])cc43)c2c1 to have a lower MR value.,COc1ccc2[nH]cc(Cc3ccc(S(=O)(=O)[O-])cc3)c2c1
QED,Modify the molecule COc1ccccc1-n1cnn(C[NH+](C)Cc2nc3ccccc3s2)c1=S to have a higher QED value.,COn1cnn(C[NH+](C)Cc2nc3ccccc3s2)c1=S
AtomNum,"Please generate a molecule with 26 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",COc1cc(C=NNC(=O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12
BondNum,"Please generate a molecule with 6 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CC(=O)N(c1ccccc1)c1ccccc1C(=O)[O-]
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amide groups, 1 halo group, and 1 sulfone group.",O=C(CS(=O)(=O)CC(=O)N1CCCc2ccccc21)Nc1ccc(F)cc1
AddComponent,Please add a benzene ring to the molecule O=C(CCC(=O)N1CC[NH2+]CC1)NCc1ccco1.,O=C(NCc1ccco1)C(CC(=O)N1CC[NH2+]CC1)c1ccccc1
SubComponent,Substitute a CCOc1cc(C=NNC(=O)c2sc(N)nc2C)ccc1OCc1c(F)cccc1Cl in the molecule halo with a aldehyde.,CC(=O)c1cccc(Cl)c1COc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1OCC
DelComponent,Modify the molecule CC1CCC(NC(=O)CC2C[NH2+]CCO2)C1 by removing a amide.,CC1CCC(C2C[NH2+]CCO2)C1
LogP,Please optimize the molecule CCNC(=O)NCc1cccc(-c2cccc(C3OC(C[NH+](C)C(C)c4ccc5ccccc5c4)C(C)C(c4ccc(CO)cc4)O3)c2)c1 to have a lower LogP value.,CCNC(=O)NCc1cccc(-c2cccc(C3OC(CO)C(C)C(C[NH+](C)C(C)c4ccc5ccccc5c4)O3)c2)c1
MR,Please modify the molecule Cc1ccc(C(C[NH3+])(CCc2ccccc2)C(=O)[O-])cc1 to decrease its MR value.,CC(C[NH3+])(CCc1ccccc1)C(=O)[O-]
QED,Please optimize the molecule C=CC(O)c1cccc(Oc2ccccc2)c1 to have a lower QED value.,C=CC(O)c1cccc(Oc2ccccc2)c1N
AtomNum,"The molecule is composed of 21 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC12C=CC(O1)C1C(=O)N(c3ccc(N=Nc4ccccc4)cc3)C(=O)C12
BondNum,"The molecule consists of 13 single bonds, 5 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",CCn1nc(C(=O)NNC(=O)CC2CCS(=O)(=O)C2)c2ccccc2c1=O
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 3 amide groups, 2 thioether groups, and 1 sulfide group.",CSCCC(NC(=O)C([NH3+])CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)[O-]
AddComponent,Please add a carboxyl to the molecule CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)C2c2c[nH]c3ccccc23)cc1OC.,CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)(C)C(=O)O)cc3)C2c2c[nH]c3ccccc23)cc1OC
SubComponent,Substitute a nitro in the molecule COc1ccc(C)cc1C(C)Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-] with a thiol.,COc1ccc(C)cc1C(C)Nc1ccc(S(=O)(=O)NC(C)C)cc1[SH]=O
DelComponent,Modify the molecule amide by removing a CCCCNC(NCc1ncc(C)s1)=[NH+]CC(=O)N(C)C.,CCCCNC(NCc1ncc(C)s1)=[NH+]CC
LogP,Modify the molecule Cc1ccc(F)c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1 to increase its LogP value.,CC(=O)c1ccc(C)cc1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O
MR,Modify the molecule CC(COC(=O)CCCC[NH3+])(COC(=O)CCCC[NH3+])COC(=O)CCCC[NH3+] to increase its MR value.,[NH3+]CCCCC(=O)OCC(CO)(COC(=O)CCCC[NH3+])COC(=O)CCCC[NH3+]
QED,Optimize the molecule CSc1sc(C(=O)[O-])c(C)c1-c1csc(Nc2ccc3c(c2)Cc2cc(Br)ccc2-3)n1 to have a lower QED value.,CSc1sc(C(=O)[O-])c(C)c1-c1csc(-c2ccc3c(c2)Cc2cc(Br)ccc2-3)n1
AtomNum,"There is a molecule with 20 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",COC(=O)C12CCCC1CN(c1cnn(Cc3ccccc3)c(=O)c1Cl)C2
BondNum,"There is a molecule consisting of 16 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CNC(=O)C(NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc(F)c(F)c1
FunctionalGroup,There is a molecule consisting of and 4 halo groups.,FC(F)(F)c1cnc([N+]2(Cc3ccncc3)C=CC=C2)c(Cl)c1
AddComponent,Add a benzene ring to the molecule O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1.,O=C(Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1)Nc1ccc(-c2ccccc2)cc1
SubComponent,Modify the molecule hydroxyl by substituting a Oc1cc(O)c2c(c1)CC(c1ccc(O)c(O)c1)C(O)C2 with a carboxyl.,O=C([OH])c1cc(O)c2c(c1)CC(c1ccc(O)c(O)c1)C(O)C2
DelComponent,Modify the molecule amide by removing a CCCCC(C)(CC)SCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCC[NH+](CCC(=O)NCC[NH+](CCC(=O)CC[NH3+])CCC(=O)CC[NH3+])CCC(=O)NCC[NH+](CCC(=O)CC[NH3+])CCC(=O)CC[NH3+].,CCCCC(C)(CC)SCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCC[NH+](CCC[NH+](CCC(=O)CC[NH3+])CCC(=O)CC[NH3+])CCC(=O)NCC[NH+](CCC(=O)CC[NH3+])CCC(=O)CC[NH3+]
LogP,Modify the molecule Cc1c(C2OCCC2NC(=O)NC2CCCOc3ccc(F)cc32)cnn1C to have a higher LogP value.,CC(=O)c1ccc2c(c1)C(NC(=O)NC1CCOC1c1cnn(C)c1C)CCCO2
MR,Modify the molecule CNC(=O)c1nn(-c2ccncc2)c(=O)c2c1c1ccc(Cl)cc1n2C to decrease its MR value.,CNC(=O)c1nn(-c2ccncc2)c(=O)c2c1c1ccccc1n2C
QED,Please modify the molecule CCCCOc1cccc(-c2nc(-c3ccccc3)n3ccnc(Cl)c23)c1 to increase its QED value.,CCCCOc1cc(-c2nc(-c3ccccc3)n3ccnc(Cl)c23)ccc1O
AtomNum,"Please generate a molecule with 8 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCC=CON1CCOCC1
BondNum,"There is a molecule consisting of 16 single bonds, 2 double bonds, 9 rotatable bonds, and 21 aromatic bonds.",COc1cccc(-c2sc(C)nc2C(=O)N(CCNC(=O)c2cccc3occc23)CC2CC2)c1
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,CCn1cc(CC([NH3+])COc2ccccc2)cn1
AddComponent,Please add a benzene ring to the molecule CCNC(=NCC(c1ccc(OC)cc1)[NH+]1CCOCC1)NCCCCC(=O)OC.,CCNC(=NCC(c1ccc(OC)cc1)[NH+]1CCOCC1c1ccccc1)NCCCCC(=O)OC
SubComponent,Substitute a O=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 in the molecule halo with a carboxyl.,O=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)c1cnn2c(C(F)(F)C(=O)[OH])cc(-c3cccs3)nc12
DelComponent,Modify the molecule amine by removing a CC(C)(C)OC(=O)N1C(=[NH2+])C2CCC1C2.,CC(C)(C)OC(=O)N1CC2CCC1C2
LogP,Optimize the molecule O=S1(=O)CCC(N2CCNc3cc(Br)ccc32)C1 to have a lower LogP value.,O=C([OH])c1ccc2c(c1)NCCN2C1CCS(=O)(=O)C1
MR,Modify the molecule CCCOc1ccc(F)cc1C1CC1CNC(=O)OC(C)(C)C to increase its MR value.,CCCOc1ccc(O)cc1C1CC1CNC(=O)OC(C)(C)C
QED,Modify the molecule CC(NC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C to have a higher QED value.,CC(c1ccc(Cl)cc1)c1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 oxygen atoms, 1 fluorine atom, and 1 chlorine atom.",CC1CC(C(O)Cc2ccc(Cl)c(F)c2)CO1
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CC1(C)OCCn2c1nc(C(=O)NCc1cc(F)ccc1Cl)c([O-])c2=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 hydroxyl group.",C=CCc1ccc(OCC(O)C[NH+]2CCN(CC)CC2)c(OC)c1
AddComponent,Add a benzene ring to the molecule CCC(C)C(NC(=O)CNC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)NC(CC(=O)[O-])C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)[O-].,CCC(C)C(NC(=O)CNC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)NC(CC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)[O-]
SubComponent,Please substitute a C[NH2+]C(CCCC(F)(F)F)c1cccc2ccccc12 in the molecule halo with a nitrile.,C[NH2+]C(CCCC(F)(F)C#N)c1cccc2ccccc12
DelComponent,Modify the molecule CC1CN(C2CC(C(C)(C)C)CCC2C#N)CCCO1 by removing a nitrile.,CC1CN(C2CCCC(C(C)(C)C)C2)CCCO1
LogP,Please optimize the molecule CCN(CCO)C(=O)NCc1ncccc1C to have a higher LogP value.,CCN(CCC(=O)[OH])C(=O)NCc1ncccc1C
MR,Please optimize the molecule COC#CC(=O)C(C#N)C(C)(C)C to have a lower MR value.,COC#CC(=O)CC(C)(C)C
QED,Please optimize the molecule Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(C#CCCCCCC(C)(C)O)cnc4[nH+]3)c2)o1 to have a lower QED value.,Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(C#CCCCCCC(C)(C)C(=O)[OH])cnc4[nH+]3)c2)o1
AtomNum,"The molecule contains 10 carbon atoms, 3 oxygen atoms, and 2 fluorine atoms.",CC(C)(C)OC(=O)C(C)(CO)C(C)(F)F
BondNum,"There is a molecule composed of 24 single bonds, 4 double bonds, 13 rotatable bonds, and 6 aromatic bonds.",CC(=CC=C1C(=O)c2ccccc2C(O)=C1C)CCCC(C)CCCC(C)CCCC(C)C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 halo group, and 1 nitrile group.",CCOc1cc(Br)c(C=C(C#N)c2cccc3ccccc23)cc1OC
AddComponent,Please add a benzene ring to the molecule CCOC(C)(CC)c1[nH+]c(O)cn1C.,CCOC(C)(c1[nH+]c(O)cn1C)C(C)c1ccccc1
SubComponent,Modify the molecule CCCN(CC(=O)OC)c1cc(F)cc([N+](=O)[O-])c1 by substituting a nitro with a thiol.,CCCN(CC(=O)OC)c1cc(F)cc([SH]=O)c1
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccc(S(=O)(=O)NN=Cc2ccc(C)o2)cc1.,CCOS(=O)(=O)NN=Cc1ccc(C)o1
LogP,Please optimize the molecule CC1(C)NC(=O)CN(c2ccc3cc(Br)ccc3c2)C1=O to have a lower LogP value.,CC1(C)NC(=O)CN(c2ccc3cc(O)ccc3c2)C1=O
MR,Optimize the molecule Cc1ccc(-c2nc(COC(=O)COc3ccccc3C#N)cs2)cc1 to have a higher MR value.,Cc1ccc(-c2nc(COC(=O)COc3ccccc3S)cs2)cc1
QED,Modify the molecule CCC(CO)OC(COC(=O)NCCC(=O)NC(C)C(=O)OCCCNC(=O)C(Cc1ccccc1)NC(=O)C(C)C(OC)C1CCCN1C(=O)CC(C)C(C(C)CC)N(C)C(=O)C(NC(=O)C(C(C)C)[NH+](C)C)C(C)C)OC to decrease its QED value.,CCC(CO)OC(COC(=O)NCCC(=O)NC(C)C(=O)OCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)C(OC)C1CCCN1C(=O)CC(C)C(C(C)CC)N(C)C(=O)C(NC(=O)C(C(C)C)[NH+](C)C)C(C)C)OC
AtomNum,"Please generate a molecule with 24 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",COCCOc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)n[nH]c12
BondNum,"The molecule has 29 single bonds, 2 double bonds, and 11 rotatable bonds.",C=CCC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
FunctionalGroup,Please generate a molecule consisting and 3 amine groups.,CCc1nncn1CCNC(NCCCc1cnn(C)c1)=[NH+]C
AddComponent,Modify the molecule N#CCNC(=O)c1ccc(N)cn1 by adding a aldehyde.,N#CC(CC=O)NC(=O)c1ccc(N)cn1
SubComponent,Substitute a CCC[NH2+]CC(=O)Nc1ccc(C#Cc2ccc(C(=O)NC(C(=O)NO)C(C)[NH3+])cc2)cc1 in the molecule hydroxyl with a halo.,CCC[NH2+]CC(=O)Nc1ccc(C#Cc2ccc(C(=O)NC(C(=O)NCl)C(C)[NH3+])cc2)cc1
DelComponent,Remove a O=C([O-])CNC(=O)CNC(=O)CSc1cc(Cl)ccc1Cl from the molecule amide.,O=C([O-])CNC(=O)CSc1cc(Cl)ccc1Cl
LogP,Modify the molecule Cc1noc2nc(-c3ccco3)cc(C(=O)OCc3ccc(Cl)cc3)c12 to decrease its LogP value.,Cc1noc2nc(-c3ccco3)cc(C(=O)OCCl)c12
MR,Modify the molecule OC(CCBr)COCc1ccccc1 to have a higher MR value.,O=C([OH])C(CCBr)COCc1ccccc1
QED,Please modify the molecule Cc1ccc(N=Nc2cc3c(cc2C)nc2ccc(C)cc2[n+]3-c2ccccc2)cc1 to increase its QED value.,CN=Nc1cc2c(cc1C)nc1ccc(C)cc1[n+]2-c1ccccc1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 bromine atom.",O=C(NC1CC1)c1ccc(Nc2ccccc2Br)nc1
BondNum,"The molecule has 8 single bonds, 1 double bond, 2 triple bonds, 4 rotatable bonds, and 12 aromatic bonds.",CCCc1ccc(C(=O)Oc2ccc(C#CC#N)cc2)cc1
FunctionalGroup,The molecule contains and 3 halo groups.,ICC#CCCCCC#CC(I)I
AddComponent,Modify the molecule N#CC(NCc1cnccc1-c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 by adding a hydroxyl.,N#CC(NCc1c(-c2c(F)cccc2F)ccnc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
SubComponent,Modify the molecule nitrile by substituting a N#CC1CCCN(C(=O)c2ccccc2Cl)C1 with a hydroxyl.,O=C(c1ccccc1Cl)N1CCCC(O)C1
DelComponent,Remove a CCOc1ccc(C2C(=C([O-])c3ccc(CC)cc3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1 from the molecule benzene ring.,CCOc1ccc(C2C(=C([O-])CC)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1
LogP,Please modify the molecule N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4C#N)ccc32)cc1C#N to increase its LogP value.,N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1C#N
MR,Please optimize the molecule C=C(C)C(=O)OCC[N+](C)(C)CCCBr to have a higher MR value.,C=C(C)C(=O)OC(O)C[N+](C)(C)CCCBr
QED,Modify the molecule CC(C)(C)c1ccc(OCC(=O)NCC2CCN(c3nc4ccccc4s3)CC2)cc1 to decrease its QED value.,CC(C)(CO)c1ccc(OCC(=O)NCC2CCN(c3nc4ccccc4s3)CC2)cc1
AtomNum,"The molecule is composed of 15 carbon atoms, 1 oxygen atom, 1 fluorine atom, and 1 chlorine atom.",O=CC(Cc1cccc(Cl)c1)c1ccc(F)cc1
BondNum,"Please generate a molecule consisting 10 single bonds, 6 rotatable bonds, and 5 aromatic bonds.",CCn1cc(NCC(C)(CC)CO)cn1
FunctionalGroup,The molecule consists of and 1 ester group.,CCOC(=O)C1CCC[NH+](Cn2nc3n(c2=S)CCCCC3)C1
AddComponent,Please add a benzene ring to the molecule CCNC(NCCCNC(=O)c1cccc(O)c1)=[NH+]Cc1ccc(C)cc1OCC.,CCOc1cc(C)ccc1C[NH+]=C(NCCCNC(=O)c1cccc(O)c1)NCCc1ccccc1
SubComponent,Modify the molecule halo by substituting a COCC(Br)CNS(=O)(=O)CCC(C)C with a aldehyde.,CC(=O)C(CNS(=O)(=O)CCC(C)C)COC
DelComponent,Modify the molecule amine by removing a c1cc2c(cc1NC1CCCC1)NCCC2.,c1cc2c(cc1NC1CCCC1)CCC2
LogP,Optimize the molecule CC[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CC2)CC1 to have a higher LogP value.,CC(c1ccccc1)[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CC2)CC1
MR,Modify the molecule Cc1nc2cc[nH]n2c(=O)c1CC(=O)N1CC2CC3CC2C1C3O to have a lower MR value.,Cc1nc2cc[nH]n2c(=O)c1CC(=O)N1CC2CC3CC2C1C3
QED,Modify the molecule COCCn1c(SCCCn2c(=O)oc3ccccc32)nc2cc(Cl)ccc2c1=O to have a higher QED value.,COCCn1c(SCCCn2c(=O)oc3ccccc32)nc2ccccc2c1=O
AtomNum,"There is a molecule with 19 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",COc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)CC3c2ccsc2)cc1
BondNum,"The molecule contains 14 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccc(CNC(=S)NC2CCCC2)cc1OC
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, 4 halo groups, and 1 sulfone group.",CS(=O)(=O)CC1(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)CCOCC1
AddComponent,Please add a carboxyl to the molecule Cn1c(=O)nc2n(CCc3ccccc3)c3ccccc3nc-2c1=O.,Cn1c(=O)nc2n(CC(C(=O)O)c3ccccc3)c3ccccc3nc-2c1=O
SubComponent,Substitute a halo in the molecule Fc1ccc(CNc2nc3ccc(Br)cc3[nH]2)cc1Cl with a aldehyde.,CC(=O)c1ccc(CNc2nc3ccc(Br)cc3[nH]2)cc1Cl
DelComponent,Please remove a halo from the molecule CN(c1ccc(C#N)cc1)c1ccc(N)cc1I.,CN(c1ccc(N)cc1)c1ccc(C#N)cc1
LogP,Modify the molecule CCc1ccccc1Nc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)nn1 to decrease its LogP value.,COc1ccc(NC(=O)c2ccc(Nc3ccccc3C(C)O)nn2)cc1OC
MR,Modify the molecule CNc1ncnc(N(C)Cc2ccoc2C)c1[N+](=O)[O-] to increase its MR value.,CNc1ncnc(N(C)Cc2ccoc2C)c1[SH]=O
QED,Modify the molecule COC(=O)C(C)N(C(=O)C(CC(C)C)CP(=O)(OC)C([NH3+])C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 to have a higher QED value.,COC(=O)C(C)N(C(=O)C(CC(C)C)CP(=O)(OC)C([NH3+])C=O)c1ccc(-c2ccccc2)cc1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",O=C(c1cc2c(s1)CCCC2)N1CCCC1Cc1ccccc1
BondNum,"There is a molecule consisting of 18 single bonds, 3 double bonds, 11 rotatable bonds, and 17 aromatic bonds.",CCOC(=O)CCC(=O)N(CCC(C)C)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 2 halo groups.",O=C([O-])c1ccc(Br)c(NC(=O)c2cncc(F)c2)c1
AddComponent,Please add a hydroxyl to the molecule CN(CC1CC(O)C1)c1ccc(C(N)=S)c(Cl)c1.,CN(CC1(O)CC(O)C1)c1ccc(C(N)=S)c(Cl)c1
SubComponent,Substitute a halo in the molecule CC(C)(CCCOc1ccc(-c2ccc(Cl)cc2Cl)cc1)CN1CCN(c2ccncc2)C1=O with a thiol.,CC(C)(CCCOc1ccc(-c2ccc(S)cc2Cl)cc1)CN1CCN(c2ccncc2)C1=O
DelComponent,Please remove a halo from the molecule CC(NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-].,CC(NS(=O)(=O)c1cccc(F)c1)C(=O)[O-]
LogP,Modify the molecule O=C1CCC2=C(OC3=C(F)C(N4CC[NH2+]CC4)=CC4C=C5C(F)=NOC5[NH+]2C34)C1=O to have a lower LogP value.,O=C1CCC2=C(OC3=CC(N4CC[NH2+]CC4)=CC4C=C5C(F)=NOC5[NH+]2C34)C1=O
MR,Please optimize the molecule CC(C)CC(NC(=O)Oc1ccc2ncccc2c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1 to have a lower MR value.,CC(C)C1C2C(=O)CN(S(=O)(=O)Cc3cccnc3)C2CCN1C(=O)Oc1ccc2ncccc2c1
QED,Optimize the molecule Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(C(c4cccc(C#N)c4)S(=O)(=O)c4ccccc4)cccc3[nH]2)c1N to have a lower QED value.,Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(C(c4cccc(NO)c4)S(=O)(=O)c4ccccc4)cccc3[nH]2)c1N
AtomNum,"Please generate a molecule composed of 16 carbon atoms, and 3 oxygen atoms.",Cc1ccccc1Oc1cccc(C2OCCO2)c1
BondNum,"There is a molecule consisting of 62 single bonds, 3 double bonds, and 56 rotatable bonds.",CCCCCCCCCCCCCCCCCCC(=O)C(O)(CO)C(O)(C(=O)CCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCCC
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, 1 amine group, 4 halo groups, and 1 sulfone group.",CNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c1
AddComponent,Please add a amine to the molecule C[Si](C)(C)c1ccc(CC(=O)OCCc2cnccn2)cc1.,C[Si](C)(C)c1ccc(CC(=O)OCCc2cnc(N)cn2)cc1
SubComponent,Modify the molecule halo by substituting a CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(Br)o3)CC2)cc1 with a nitro.,CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(NO)o3)CC2)cc1
DelComponent,Please remove a Nc1oc2cc(CCC[NH+]3CCOCC3)cnc2c1C(=O)Nc1c[nH+]ccc1N1CC([NH3+])CC(C(F)(F)F)C1 from the molecule halo.,Nc1oc2cc(CCC[NH+]3CCOCC3)cnc2c1C(=O)Nc1c[nH+]ccc1N1CC([NH3+])CC(C(F)F)C1
LogP,Please modify the molecule COC(=O)CSc1nc2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)oc3C)cc2s1 to decrease its LogP value.,COC(=O)CSc1nc2ccc(-c3(C)oc(S(=O)(=O)N(C)C)c-3)cc2s1
MR,Modify the molecule O=c1n(-c2cccc(F)c2)nc2c(NC3CCCCC3)nc3ccccc3n12 to have a higher MR value.,O=c1n(-c2cccc(O)c2)nc2c(NC3CCCCC3)nc3ccccc3n12
QED,Please optimize the molecule CCCCCOP(=S)(S)CCCCC to have a higher QED value.,CCCCCOP(=S)(C#N)CCCCC
AtomNum,"There is a molecule composed of 13 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 1 fluorine atom, and 1 iodine atom.",O=C([O-])c1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1F
BondNum,"Please generate a molecule consisting 28 single bonds, 4 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",CC1CN(c2ccc(C(=O)NC(CC(=O)[O-])c3ccc(F)cc3)cc2NC(=O)C2CCCCC2)C(C)CN1C(=O)c1ccccc1
FunctionalGroup,"The molecule has 1 amide group, 1 halo group, and 1 sulfone group.",O=C1COc2ccc(S(=O)(=O)N3CCc4cc(Br)ccc43)cc2N1
AddComponent,Modify the molecule CC1CCCC1[NH2+]CCCO by adding a hydroxyl.,CC1(O)CCCC1[NH2+]CCCO
SubComponent,Substitute a halo in the molecule Cc1nc2cc(-c3cccc(-c4cnn(-c5ccccc5)c4C)c3)nn2c(-c2cc(F)c3c(c2C)CCCO3)c1C(OC(C)(C)C)C(=O)[O-] with a thiol.,Cc1nc2cc(-c3cccc(-c4cnn(-c5ccccc5)c4C)c3)nn2c(-c2cc(S)c3c(c2C)CCCO3)c1C(OC(C)(C)C)C(=O)[O-]
DelComponent,Please remove a halo from the molecule O=[N+]([O-])c1ccc(Cl)c(COc2ccc(Br)cc2F)c1.,O=[N+]([O-])c1cccc(COc2ccc(Br)cc2F)c1
LogP,Modify the molecule COCCN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1 to have a lower LogP value.,COCCN(CC[NH3+])S(C)(=O)=O
MR,Modify the molecule C=CCNC(=O)C1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](CCc3ccccc3)CC12 to have a lower MR value.,C=CCNC(=O)C1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](CC)CC12
QED,Modify the molecule CC(O)C[NH+](C)CCOc1ccc(CC#N)cc1 to have a lower QED value.,CC(O)C[NH+](C)C(O)COc1ccc(CC#N)cc1
AtomNum,"There is a molecule with 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC=CCCCCCC1NC=C[N+]1(CC)CCNC(C)=O
BondNum,"The molecule has 14 single bonds, 1 double bond, 2 rotatable bonds, and 5 aromatic bonds.",CCn1nc(C(=O)N(C)C)c2c1C(F)(F)C1CC21
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, and 1 amine group.",O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CC[NH2+]CC4)cc3)n2)cc1)C1CCC[NH2+]1
AddComponent,Modify the molecule Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)NC5CCCCC5C)ccc4C)CC3)cc2C)c1 by adding a aldehyde.,Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](CC(=O)Nc4cc(C(=O)NC5CCCCC5C)ccc4C)C(CC=O)C3)cc2C)c1
SubComponent,Please substitute a Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C in the molecule halo with a nitro.,Cc1nc2nc(C(F)(F)NO)nn2c(C)c1CCC(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C
DelComponent,Remove a CC(CC(=O)[O-])c1ccccc1OCC1CC1 from the molecule benzene ring.,CC(CC(=O)[O-])OCC1CC1
LogP,Modify the molecule COc1c(C(C)C)cc(Br)cc1C(O)C[NH3+] to decrease its LogP value.,COC(C)(C)C(O)(Br)C[NH3+]
MR,Optimize the molecule N#CCS(=O)c1ccccc1-c1nc2ccncc2[nH]1 to have a lower MR value.,ONCS(=O)c1ccccc1-c1nc2ccncc2[nH]1
QED,Optimize the molecule CC(=O)NCC1CCC(=C2NC(c3cc4cccc(Cl)c4[nH]3)=C3C(N)=[NH+]C=N[NH+]23)CC1 to have a lower QED value.,CC(=O)NCC1CCC(=C2NC(c3cc4cccc(NO)c4[nH]3)=C3C(N)=[NH+]C=N[NH+]23)CC1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",N#Cc1cccc(NC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)c1
BondNum,"There is a molecule composed of 13 single bonds, 7 rotatable bonds, and 5 aromatic bonds.",COCC(F)(CCC[NH3+])Cc1c(Cl)c(C)nn1C
FunctionalGroup,"Please generate a molecule composed of 1 thioether group, and 1 thiol group.",CCC(C)(CC)OC(C)OC(C)S
AddComponent,Please add a benzene ring to the molecule C[NH+]1CCN(C(=O)c2cccc(-c3cccc(CC(NC(=O)C4CCC(CNC(=O)OC(C)(C)C)CC4)C(=O)Nc4ccc(-c5n[nH]c(Cl)n5)cc4)c3)c2)CC1.,C[NH+]1CCN(C(=O)c2cccc(-c3cccc(CC(NC(=O)C4CCC(CNC(=O)OC(C)(C)C)CC4)C(=O)Nc4ccc(-c5n[nH]c(Cl)n5)cc4-c4ccccc4)c3)c2)CC1
SubComponent,Please substitute a CC1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)C1=O in the molecule halo with a thiol.,CC1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc(-c3ccc(S)s3)cs2)C1=O
DelComponent,Remove a CCN(CC(=O)Nc1cc(C)ccc1OC)c1ccc(C)cc1C from the molecule benzene ring.,CCN(CC(=O)N(C)OC)c1ccc(C)cc1C
LogP,Optimize the molecule CCCC(C)(O)CNc1cc(C(=O)[O-])ccn1 to have a higher LogP value.,CCCC(C)CNc1cc(C(=O)[O-])ccn1
MR,Please optimize the molecule Cc1ccccc1CN(CC(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Cl)cc1 to have a higher MR value.,CC(=O)c1ccc(NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1
QED,Modify the molecule CCOC(=O)C1=C(CSc2nnnn2-c2cccc(C)c2C)NC(=O)NC1 to decrease its QED value.,CCOC(=O)C1=C(CSc2nnnn2CC)NC(=O)NC1
AtomNum,"The molecule has 9 carbon atoms, 4 oxygen atoms, and 1 sulfur atom.",CCS(=O)(=O)C1(C(=O)[O-])CCCCC1
BondNum,"The molecule has 15 single bonds, 5 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CN1C(=[NH2+])C(C(CS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2)C(=O)N(C)C1=O
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 1 amide group.",CC1(O)CCN(C(=O)c2ccc(-n3cncn3)nc2)CC1
AddComponent,Add a nitrile to the molecule OCCC1CC1C1CCN(c2ncccn2)CC1.,N#Cc1ccnc(N2CCC(C3CC3CCO)CC2)n1
SubComponent,Substitute a Cc1csc(=O)n1CCCC(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F in the molecule halo with a aldehyde.,CC(=O)C(F)(F)c1ccc(OCC(F)(F)F)c(NC(=O)CCCn2c(C)csc2=O)c1
DelComponent,Please remove a halo from the molecule O=S(=O)(NC1C2C[NH2+]CC21)c1c(Cl)cccc1Br.,O=S(=O)(NC1C2C[NH2+]CC21)c1ccccc1Br
LogP,Please optimize the molecule CCSC1=C(SCC)SC(=C2SC3=C(S2)SC(=C2Sc4ccc(Br)cc4S2)S3)S1 to have a lower LogP value.,CCSC1=C(SCC)SC(=C2SC3=C(S2)SC(=C2Sc4ccccc4S2)S3)S1
MR,Please modify the molecule Cc1ccccc1C[NH+]1CCC(N2C(=O)NC3(CCCC3)C2=O)CC1 to decrease its MR value.,Cc1ccccc1C[NH+]1CCC(C(=O)NC2CCC2)CC1
QED,Modify the molecule CCn1c(CCO)cc2ccc(O)cc21 to increase its QED value.,CCn1c(CCC(=O)[OH])cc2ccc(O)cc21
AtomNum,"Please generate a molecule with 18 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)c1nc(C[NH+](C)C(C)c2ccc(-n3cncn3)cc2)cs1
BondNum,"There is a molecule with 23 single bonds, 6 double bonds, 10 rotatable bonds, and 15 aromatic bonds.",COCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccn4nc(C(N)=O)ccc43)CSC12)c1nsc(N)n1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 2 hydroxyl groups.",Cc1ccc(C(C)(C)C)c(O)c1CCCCCCc1c(C)ccc(C(C)(C)C)c1O
AddComponent,Modify the molecule CC1COC2C(Oc3nc4c(F)c(-c5ccc(-c6ccccc6)cc5)c(F)cc4[nH]3)COC12 by adding a hydroxyl.,CC1COC2C(Oc3nc4c(F)c(-c5ccc(-c6ccccc6)cc5)c(F)c(O)c4[nH]3)COC12
SubComponent,Modify the molecule halo by substituting a Cc1ccc(OC(F)F)c(C(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1 with a hydroxyl.,Cc1ccc(OC(O)F)c(C(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1
DelComponent,Remove a C[NH+]=C(NCCc1nc(C)no1)NCc1ccc(Cl)cc1Cl from the molecule halo.,C[NH+]=C(NCCc1nc(C)no1)NCc1ccc(Cl)cc1
LogP,Modify the molecule NC(=[NH+]O)C(CN1CCOCC1CO)C(F)(F)F to have a higher LogP value.,[NH+]=C(N)C(CN1CCOCC1CO)C(F)(F)F
MR,Modify the molecule COS(=O)CC(=O)NC(C)C to have a lower MR value.,COS(=O)C(C)C
QED,Optimize the molecule CCC(O)C(O)Cc1ccc2c(c1)CCC2 to have a higher QED value.,CCC(O)(c1ccccc1)C(O)Cc1ccc2c(c1)CCC2
AtomNum,"Please generate a molecule with 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Nc1ccc(CCC(=O)NCC(C2CC2)C2CC2)cc1
BondNum,"The molecule is composed of 10 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CC([NH3+])c1ccc(NC(=O)NCCCn2cccn2)cc1
FunctionalGroup,"There is a molecule with 1 amide group, and 1 halo group.",O=C(Cn1cn[nH]c1=O)NC1CCc2c(F)cccc21
AddComponent,Modify the molecule CCn1c(C(=O)[O-])c[nH+]c1-c1cccc(-c2cccc(C)c2OCc2ccc3c(c2)CC[NH+](C2CCOCC2)C3)n1 by adding a hydroxyl.,CCn1c(C(=O)[O-])c[nH+]c1-c1cccc(-c2ccc(O)c(C)c2OCc2ccc3c(c2)CC[NH+](C2CCOCC2)C3)n1
SubComponent,Please substitute a nitro in the molecule O=[N+]([O-])c1ccc(NC2CCCC[NH2+]C2)c2ncccc12 with a thiol.,O=[SH]c1ccc(NC2CCCC[NH2+]C2)c2ncccc12
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(S(=O)(=O)N(C)CCCC(=O)n2cnc3ccccc32)cc1.,CN(CCCC(=O)n1cnc2ccccc21)S(C)(=O)=O
LogP,Please optimize the molecule CC1CCCCOC(C[NH+](C)Cc2ccc(F)cc2)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1 to have a higher LogP value.,CC1CCCCOC(C[NH+](C)Cc2ccc(F)cc2)C(C)CN(C(C)CC#N)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1
MR,Modify the molecule CC(C)[NH+]1CCC(NC(=O)Oc2cc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1 to decrease its MR value.,CC(C)[NH+]1CCC(NC(=O)Oc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
QED,Please optimize the molecule CCn1cc(Cl)c(C(=O)NC2C3CC4CC(C3)CC2C4)n1 to have a lower QED value.,CCn1cc(O)c(C(=O)NC2C3CC4CC(C3)CC2C4)n1
AtomNum,"There is a molecule with 16 carbon atoms, 7 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COc1ccc(S(=O)(=O)NCC(=O)OC2CCCCC2=O)cc1OC
BondNum,"Please generate a molecule composed of 14 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccc(N(C)C2CCN(CC[NH3+])CC2)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 hydroxyl group.",COc1ccc(C(CO)[NH2+]C2CC2)c(OC)c1OC
AddComponent,Modify the molecule CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2OC)Cc2ccccc2)cc1 by adding a carboxyl.,CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2c(OC)cccc2C(=O)O)Cc2ccccc2)cc1
SubComponent,Substitute a O=C(c1cscn1)c1ccc(Br)o1 in the molecule halo with a nitrile.,N#Cc1ccc(C(=O)c2cscn2)o1
DelComponent,Remove a CC(C=N)C=NN(C)Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 from the molecule benzene ring.,CC(C=N)C=NN(C)CC(=O)Nc1nc2ccccc2[nH]1
LogP,Modify the molecule CCOC(=O)c1cc2nc(-c3ccc(CI)cc3)cc(=O)n2[nH]1 to increase its LogP value.,CCOC(=O)c1cc2nc(-c3ccc(CI)c(-c4ccccc4)c3)cc(=O)n2[nH]1
MR,Modify the molecule CC(C)(C#N)c1cc(C(=O)Nc2cc(N)ccc2F)cc(F)c1Cl to have a lower MR value.,CC(C)(C#N)c1cc(C(=O)Nc2ccccc2F)cc(F)c1Cl
QED,Please optimize the molecule CCCCOCCOC(=O)CS(=O)(=O)CC#N to have a higher QED value.,CCCCOCCOC(=O)CS(C)(=O)=O
AtomNum,"There is a molecule with 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",Cc1ccc(Cl)c(Oc2cccc(C#N)n2)c1
BondNum,"The molecule contains 23 single bonds, 1 double bond, and 20 rotatable bonds.",CCCCCCCCC=CCCCCCCCCSCC(CO)OC
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 2 halo groups.",Cn1cc(C(=O)NCc2cccc(OCC(F)F)c2)ccc1=O
AddComponent,Please add a carboxyl to the molecule C[NH+]=C(NCC[NH+]1CCN(C(=O)C2CCCC2)CC1)NCc1ccsc1.,C[NH+]=C(NCC[NH+]1CCN(C(=O)C2CCCC2)CC1C(=O)O)NCc1ccsc1
SubComponent,Modify the molecule CCn1ccnc(NCC2(CCCl)CC2)c1=O by substituting a halo with a nitrile.,CCn1ccnc(NCC2(CCC#N)CC2)c1=O
DelComponent,Modify the molecule amine by removing a CC1CC(Nc2cccc3ccccc23)C(=O)O1.,CC1CC(c2cccc3ccccc23)C(=O)O1
LogP,Please optimize the molecule CC[NH2+]Cc1nnc(-n2ccnc2)s1 to have a lower LogP value.,CC[NH2+]Cc1nnc(-n2cnc(O)c2)s1
MR,Please optimize the molecule COC(=O)c1ccccc1NC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 to have a lower MR value.,COC(=O)c1ccccc1C(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1
QED,Please optimize the molecule CC1CCCC(Nc2ccc(O)cc2)CC1 to have a lower QED value.,CC1CCCC(NO)CC1
AtomNum,"The molecule contains 20 carbon atoms, 5 oxygen atoms, 7 nitrogen atoms, and 1 sulfur atom.",Cc1[nH]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1C
BondNum,"Please generate a molecule with 6 single bonds, 2 double bonds, 3 rotatable bonds, and 10 aromatic bonds.",Cc1nc(C(Cl)=Cc2ccc([N+](=O)[O-])o2)cs1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 2 amide groups.",O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1ccc2c(c1)OCO2
AddComponent,Modify the molecule COCC[NH+](Cc1ccccc1)CC1(C)CC[NH2+]C1 by adding a benzene ring.,CC1(C[NH+](CCOCc2ccccc2)Cc2ccccc2)CC[NH2+]C1
SubComponent,Modify the molecule O=C([O-])c1cn(CCOCc2cccc(Br)c2)nn1 by substituting a halo with a hydroxyl.,O=C([O-])c1cn(CCOCc2cccc(O)c2)nn1
DelComponent,Remove a halo from the molecule COc1ccc2c(c1)CN(C(=O)c1c[nH+]c(SC)n1-c1ccc(F)cc1)CC2.,COc1ccc2c(c1)CN(C(=O)c1c[nH+]c(SC)n1-c1ccccc1)CC2
LogP,Please optimize the molecule Cn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1F to have a lower LogP value.,CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1C
MR,Please optimize the molecule O=C([O-])Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c1 to have a higher MR value.,O=C([O-])Cc1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1
QED,Please optimize the molecule NC(=O)CCC(NC(=O)C(CC(N)=O)NC(=O)C(CC(=O)[O-])NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-] to have a higher QED value.,NC(=O)CCC(CC(N)=O)(NC(=O)C(CC(=O)[O-])NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-]
AtomNum,"The molecule has 23 carbon atoms, 3 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1cnccc1C(C)(F)Cn1c2c(c3cc(Cl)ccc31)CC[NH+](C(C)C)C2
BondNum,"The molecule consists of 6 single bonds, 1 triple bond, 5 rotatable bonds, and 51 aromatic bonds.",[C-]#[N+]c1ccc(-c2nc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3c2cc(-c2ccccc2)c2ccccc23)cc1
FunctionalGroup,"There is a molecule with 2 thioether groups, and 1 sulfide group.",CC(C)C([NH3+])c1nc(C2CSCCO2)no1
AddComponent,Modify the molecule CCC1NC(=O)CN(Cc2cscc2C)C1=O by adding a carboxyl.,CCC1NC(=O)CN(Cc2csc(C(=O)O)c2C)C1=O
SubComponent,Substitute a O=C(Nc1cccc(CO)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 in the molecule hydroxyl with a aldehyde.,CC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1
DelComponent,Remove a hydroxyl from the molecule CCCNc1ncnc(NCC(C)(C)CO)c1C.,CCCNc1ncnc(NCC(C)(C)C)c1C
LogP,Please modify the molecule Cc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCOCC1 to decrease its LogP value.,CN(C(=O)Cc1n[nH]c(=O)c2ccccc12)S(=O)(=O)N1CCOCC1
MR,Modify the molecule CCOC(=O)CCn1cc(C=C(C#N)C(N)=S)c(-c2ccccc2)n1 to have a lower MR value.,CCOC(=O)CCn1cc(C=C(C#N)C=S)c(-c2ccccc2)n1
QED,Optimize the molecule COc1cccc(C=C2SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1OCc1ccccc1 to have a lower QED value.,CC(=O)c1cccc(Cl)c1CN1C(=O)SC(=Cc2cccc(OC)c2OCc2ccccc2)C1=O
AtomNum,"The molecule is composed of 18 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",CC(C)(F)c1cc2c(cc1C1(C[NH3+])CCCC1)OCCCO2
BondNum,"There is a molecule composed of 9 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",CC(C)(C)OC(=O)NNc1ccn2nnnc2c1N
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 1 aldehyde group, and 1 halo group.",CN(CCO)c1c(F)cccc1C=O
AddComponent,Add a carboxyl to the molecule O=C([O-])CC(=O)c1cccc(-c2ccnc(C3CCCC3)c2)c1.,O=C([O-])C(C(=O)O)C(=O)c1cccc(-c2ccnc(C3CCCC3)c2)c1
SubComponent,Modify the molecule halo by substituting a Cc1nc(NCCC(C)C)cc(C(=O)Nc2ccccc2F)n1 with a nitro.,Cc1nc(NCCC(C)C)cc(C(=O)Nc2ccccc2NO)n1
DelComponent,Please remove a COC(=O)C(Cc1ccccc1)C(C(=O)OC(C)(C)C)C(=O)C(C)C from the molecule benzene ring.,COC(=O)C(C)C(C(=O)OC(C)(C)C)C(=O)C(C)C
LogP,Please modify the molecule Cc1cccc(C(C=O)Cc2ccccc2C)c1 to increase its LogP value.,Cc1cccc(Cc2ccccc2C)c1
MR,Modify the molecule CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCCn1nnc(-c2ccccc2)n1 to decrease its MR value.,CC(=O)Nc1ccc(C(F)F)cc1NC(=O)CCCn1nnc(-c2ccccc2)n1
QED,Modify the molecule CC(C)C([NH3+])C(=O)Oc1ccc(CC(=O)OCI)cc1 to decrease its QED value.,CC(C)C([NH3+])C(=O)Oc1ccc(CC(=O)OCNO)cc1
AtomNum,"The molecule has 15 carbon atoms, 1 nitrogen atom, 2 sulfur atoms, and 2 fluorine atoms.",Fc1cc(C#Cc2ccc([S-])cc2)cc(F)c1N=C=S
BondNum,"The molecule contains 17 single bonds, 2 double bonds, 12 rotatable bonds, and 22 aromatic bonds.",COc1ccc(OC)c(-n2c(CNC(=O)COc3ccc(Cl)cc3)nnc2SCC(=O)Nc2nccs2)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",CCC([NH2+]CCCOC(C)C)C(O)c1ccc(F)cc1
AddComponent,Add a benzene ring to the molecule CC(C)(C)OC(=O)N1CCC(C2CCN(c3nc4ccc(C(=O)NCCn5ccnc5)cc4nc3-c3ccccc3)CC2)CC1.,CC(C)(C)OC(=O)N1CCC(C2CCN(c3nc4ccc(C(=O)NCCn5ccnc5)cc4nc3-c3cccc(-c4ccccc4)c3)CC2)CC1
SubComponent,Substitute a CCNC(=O)c1c(CC)nc2cc(Cl)ccn12 in the molecule halo with a thiol.,CCNC(=O)c1c(CC)nc2cc(S)ccn12
DelComponent,Remove a halo from the molecule CN(Cc1ccc(Br)cc1)C(=O)c1cc(NN)ccn1.,CN(Cc1ccccc1)C(=O)c1cc(NN)ccn1
LogP,Modify the molecule C=CCn1c(=NC(=O)c2ccc(Cl)s2)sc2cccc(F)c21 to have a lower LogP value.,C=CCn1c(=NC(=O)c2cccs2)sc2cccc(F)c21
MR,Modify the molecule Cc1cc(OCCn2c(C3CCCO3)nc3ccccc32)ccc1Cl to increase its MR value.,Cc1c(Cl)ccc(OCCn2c(C3CCCO3)nc3ccccc32)c1-c1ccccc1
QED,Please modify the molecule CC(C)CNC(=O)C(C)NC(=O)c1cc(Cl)nc(Cl)c1 to decrease its QED value.,CC(C)CNC(=O)C(C)NC(=O)c1cc(O)nc(Cl)c1
AtomNum,"The molecule contains 12 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cn1cc[nH+]c1CCSc1ncccc1C(=O)[O-]
BondNum,"The molecule consists of 13 single bonds, 1 double bond, 10 rotatable bonds, and 6 aromatic bonds.",COCC[NH+](CCOC)Cc1ccc(CC(=O)[O-])cc1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, 4 thioether groups, and 2 sulfide groups.",OCC1CSC(c2ccc3ccccc3c2)S1
AddComponent,Modify the molecule COc1ccc(C(O)C2CCC[NH2+]2)cc1NC(C)=O by adding a carboxyl.,CC(=O)Nc1cc(C(O)C2CCC[NH2+]2)ccc1OCC(=O)O
SubComponent,Please substitute a halo in the molecule Cc1cc(C)c(NC(=O)CSc2n[nH]c3c4ccccc4nc-3n2)c(Cl)c1 with a hydroxyl.,Cc1cc(C)c(NC(=O)CSc2n[nH]c3c4ccccc4nc-3n2)c(O)c1
DelComponent,Remove a CC1CCCC(C2CC2c2ccccc2)[NH2+]1 from the molecule benzene ring.,CC1CCCC(C2CC2)[NH2+]1
LogP,Optimize the molecule CN(CCC[NH2+]CC1CCOCC1)C(=O)OC(C)(C)C to have a higher LogP value.,CN(CCC[NH2+]CC1CCOC(c2ccccc2)C1)C(=O)OC(C)(C)C
MR,Modify the molecule COc1ccc2cc(C(Cl)C3CC4CCC3C4)ccc2c1 to have a lower MR value.,COc1ccc2cc(CC3CC4CCC3C4)ccc2c1
QED,Modify the molecule O=C(CCc1cccs1)NCc1cccc(F)c1 to increase its QED value.,O=C(CCc1cccs1)NCc1cccc(F)c1O
AtomNum,"There is a molecule with 16 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1cccc(NC(=O)C(=O)NCCc2nc(C(C)C)no2)c1
BondNum,"There is a molecule with 22 single bonds, 1 double bond, and 5 rotatable bonds.",[NH3+]C(CC(=O)N1CCC[NH+](CC2CCCO2)CC1)C1CC1
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,O=C(CCc1ccc(=O)[nH]c1)N1CCC[NH+](CC2CCC2)CC1
AddComponent,Please add a benzene ring to the molecule CC[NH2+]C(C)C(C)(C)CN1CCS(=O)CC1.,CC([NH2+]CCc1ccccc1)C(C)(C)CN1CCS(=O)CC1
SubComponent,Substitute a halo in the molecule O=S(=O)([O-])C1=CC(C(F)(F)F)CC(C(F)(F)F)=C1 with a carboxyl.,O=C([OH])C(F)(F)C1C=C(S(=O)(=O)[O-])C=C(C(F)(F)F)C1
DelComponent,Modify the molecule CC(=O)OC1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C(OC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C1OC(=O)c1ccccc1 by removing a benzene ring.,CC(=O)OC1OC(COC=O)C(OC(=O)c2ccccc2)C(OC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C1OC(=O)c1ccccc1
LogP,Modify the molecule Cc1nn(C(C)C)cc1NCc1cccc(F)c1 to have a lower LogP value.,Cc1nn(C(C)C)cc1NCc1cccc(C#N)c1
MR,Optimize the molecule OCc1ccc(OCc2cncc(F)c2)c(Br)c1 to have a lower MR value.,Cc1ccc(OCc2cncc(F)c2)c(Br)c1
QED,Modify the molecule O=c1c2cc([N+](=O)[O-])ccc2nc2n1CS(=O)(=O)N2 to have a lower QED value.,O=c1c2cc([N+](=O)[O-])ccc2nc2n1C(O)S(=O)(=O)N2
AtomNum,"The molecule consists of 17 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",O=C(CCCCC1CCSS1)OCCC[NH+]1CC(O)C(O)C(O)C1CO
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, 6 rotatable bonds, and 29 aromatic bonds.",Cc1ccccc1NCc1cccc(-c2c(C(=O)c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ketone group, 1 halo group, 1 thioether group, and 1 sulfide group.",CCC(=O)c1ccc2c(c1)-c1nn(-c3ccc(Cl)cc3)c(=O)cc1CCS2
AddComponent,Modify the molecule Cc1ccc(C(=O)N2CCOCC2c2[nH]ncc2S(C)(=O)=O)s1 by adding a carboxyl.,Cc1ccc(C(=O)N2CC(C(=O)O)OCC2c2[nH]ncc2S(C)(=O)=O)s1
SubComponent,Please substitute a halo in the molecule CC(C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc2c(c1)OCO2 with a nitro.,CC(C(=O)NC1CCCC1)N(Cc1ccc(NO)cc1)C(=O)CCc1ccc2c(c1)OCO2
DelComponent,Please remove a benzene ring from the molecule CC1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CCS1.,CC1CCN(C(=O)NS(=O)(=O)N2CCCCC2)CCS1
LogP,Modify the molecule Cc1[nH]c2nc(-c3ccc(F)cc3)nc(Cl)c2c1C to have a lower LogP value.,Cc1[nH]c2nc(-c3ccc(F)cc3)ncc2c1C
MR,Modify the molecule Cc1nc([N+](=O)[O-])c(Sc2ccc(C(=O)[O-])cc2)n1C to decrease its MR value.,Cc1nc([N+](=O)[O-])c(SC(=O)[O-])n1C
QED,Modify the molecule O=c1c(NCC2CCCO2)c(Br)cnn1CC1CCC1 to decrease its QED value.,O=c1c(NCC2CCCO2)c(S)cnn1CC1CCC1
AtomNum,"The molecule has 26 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCCCc1ccc(NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1
BondNum,"The molecule is composed of 6 single bonds, 2 double bonds, 4 rotatable bonds, and 27 aromatic bonds.",Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 amine group, 1 halo group, 1 sulfide group, and 1 sulfone group.",COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C2([NH3+])CC2)c1
AddComponent,Modify the molecule CCCCCCSC(C)CCCl by adding a benzene ring.,CCCCCCSC(C)(CCCl)c1ccccc1
SubComponent,Substitute a halo in the molecule NC(=O)Cn1c(Cl)c(Cc2ncccc2F)nc(NCC(F)(F)c2cccc[n+]2[O-])c1=O with a carboxyl.,NC(=O)Cn1c(C(=O)[OH])c(Cc2ncccc2F)nc(NCC(F)(F)c2cccc[n+]2[O-])c1=O
DelComponent,Remove a halo from the molecule OCc1ccccc1NC(=S)Nc1ccc(Cl)cc1.,OCc1ccccc1NC(=S)Nc1ccccc1
LogP,Please modify the molecule CCCC[N+](C)(C(=O)[O-])c1ccc(Br)cc1 to decrease its LogP value.,CCCC[N+](C)(C(=O)[O-])c1ccc(S)cc1
MR,Modify the molecule O=S(=O)(NC(C1CC1)C1CC1)c1ccc([O-])cc1 to have a lower MR value.,O=S(=O)(c1ccc([O-])cc1)C(C1CC1)C1CC1
QED,Please modify the molecule O=C1NC(=[NH+]C2CCCCC2)C2(CC[NH+](Cc3ccc(Br)nc3)CC2)N1c1cccc(F)c1 to decrease its QED value.,O=C(O)C(c1ccc(Br)nc1)[NH+]1CCC2(CC1)C(=[NH+]C1CCCCC1)NC(=O)N2c1cccc(F)c1
AtomNum,"The molecule has 25 carbon atoms, 4 oxygen atoms, 6 nitrogen atoms, and 3 fluorine atoms.",O=C1COc2ccc(CNC(=O)c3ncnc4c(C(=O)NCc5ccccc5C(F)(F)F)c[nH]c34)cc2N1
BondNum,"The molecule is composed of 17 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 12 aromatic bonds.",N#Cc1ccccc1N1CCC[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 aldehyde group.",CC(C)Oc1ccc(CCn2cccc2C=O)cc1
AddComponent,Modify the molecule CC[NH2+]CC(COC)OCC1CCOC1 by adding a benzene ring.,CC[NH2+]CC(OCC1CCOC1)C(OC)c1ccccc1
SubComponent,Modify the molecule Cc1cccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)c1C by substituting a halo with a aldehyde.,CC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1Cl
DelComponent,Please remove a Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)C(C)C)CC1 from the molecule benzene ring.,CC(C)C(NC(=O)C1CC[NH+](C(C)C(=O)N(C)C(=O)NC2CCCCC2)CC1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1
LogP,Modify the molecule C[B-]1(c2ccccc2)c2ccccc2-c2ccccc21 to have a lower LogP value.,C[B-]1c2ccccc2-c2ccccc21
MR,Optimize the molecule CC1CCCN(C(=O)C[NH2+]C2(CO)CCc3ccccc32)C1 to have a higher MR value.,CC1CCCN(C(=O)C[NH2+]C2(CC(=O)[OH])CCc3ccccc32)C1
QED,Modify the molecule O=C(NC1CCSCC1)c1cc(S(=O)(=O)NC2CC2)ccc1Br to have a lower QED value.,ONc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1CCSCC1
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCOCOc1ccc(N2CCCC([NH3+])C2)cc1
BondNum,"The molecule has 22 single bonds, 6 double bonds, 15 rotatable bonds, and 24 aromatic bonds.",[N-]=[N+]=Nc1ccccc1C1OC(c2ccc(OCCCO)cc2)=NC1(CCS(=O)(=O)c1ccccc1)C(=O)NCCc1cccc(Cl)c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 3 halo groups.",O=C(OOC(=O)c1ccc(Cl)cc1Cl)c1ccccc1Cl
AddComponent,Add a benzene ring to the molecule CC[NH+](CCN1CCNC1=O)C1CC2CCC(C1)[NH2+]2.,CC[NH+](CCN1CCNC1=O)C1CC2CC(c3ccccc3)C(C1)[NH2+]2
SubComponent,Modify the molecule CC([NH3+])c1ccc(C(=O)[O-])c(O)c1 by substituting a hydroxyl with a nitrile.,CC([NH3+])c1ccc(C(=O)[O-])c(C#N)c1
DelComponent,Remove a halo from the molecule CC(C)c1cc(N)c2cc(OC(F)F)ccc2[nH+]1.,CC(C)c1cc(N)c2cc(OCF)ccc2[nH+]1
LogP,Optimize the molecule CCCCCCCCCCCCOc1ccc(C=Cc2cc(C=O)cc(C=Cc3ccc(OCCCCCCCCCCCC)cc3)c2)cc1 to have a higher LogP value.,CCCCCCCCCCCCOc1ccc(C=Cc2cc(C=O)cc(C=Cc3ccc(OCCCCC(CCCCCCC)c4ccccc4)cc3)c2)cc1
MR,Please modify the molecule CC(C)c1nc(CC(=O)N2CCc3sccc3C2C)cs1 to decrease its MR value.,CC(C)c1nc(C2Cc3sccc3C2C)cs1
QED,Please modify the molecule CC1CCC[NH+](CCCCO)C1 to increase its QED value.,CCCC[NH+]1CCCC(C)C1
AtomNum,"Please generate a molecule composed of 29 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCS(=O)(=O)c1ncc(N(Cc2ccc(C(C)(C)C)cc2)Cc2ccco2)c(C(=O)Nc2ccc(Cl)cc2)n1
BondNum,"There is a molecule composed of 16 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",COc1cccc2c1CCC(O)(S(=O)(=O)[O-])C2[NH+]1CCCC1
FunctionalGroup,"The molecule contains 3 benzene ring groups, 2 amide groups, and 1 amine group.",O=C(COc1ccc(Nc2ccccc2)cc1)NNC(=O)c1ccc(COc2ccccc2)o1
AddComponent,Please add a hydroxyl to the molecule CC1CCCCN1C(=O)C[NH+]1CCN(C(=O)c2cccn(C)c2=O)CC1.,Cn1cccc(C(=O)N2CC[NH+](CC(=O)N3CCCCC3(C)O)CC2)c1=O
SubComponent,Substitute a halo in the molecule O=C(CNc1nc2ccccc2s1)NN=Cc1cccc(Cl)c1Cl with a hydroxyl.,O=C(CNc1nc2ccccc2s1)NN=Cc1cccc(O)c1Cl
DelComponent,Please remove a halo from the molecule COCCCCSc1c(Cl)ccc2c1CC[NH2+]CC2.,COCCCCSc1cccc2c1CC[NH2+]CC2
LogP,Please modify the molecule COCc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 to decrease its LogP value.,CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(COC)cc2)cc1
MR,Optimize the molecule CC(C)n1cc(S(=O)(=O)Nc2cc(F)ccc2F)c(C(C)(C)C)n1 to have a higher MR value.,CC(C)n1cc(S(=O)(=O)Nc2cc(S)ccc2F)c(C(C)(C)C)n1
QED,Please modify the molecule COc1cc(C=C2NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 to decrease its QED value.,COc1cc(C=C2NC(=O)N(Cc3ccc(NO)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1ccc(C(Oc2ccc(C)cc2C)C(C)[NH3+])cc1
BondNum,"Please generate a molecule with 9 single bonds, 2 double bonds, 4 rotatable bonds, and 22 aromatic bonds.",Cc1cc(C(=O)Nc2ccc(C(N)=[NH2+])cc2F)n(-c2ccc3cc(Br)ccc3c2)n1
FunctionalGroup,Please generate a molecule consisting and 1 sulfone group.,O=C([O-])CCN1CCN(Cc2ncc[nH]2)C2CS(=O)(=O)CC21
AddComponent,Please add a benzene ring to the molecule O=C(NCc1ccc(OCc2cccnc2)cc1)c1cc(Cl)nc(Cl)c1.,O=C(NCc1ccc(OCc2cncc(-c3ccccc3)c2)cc1)c1cc(Cl)nc(Cl)c1
SubComponent,Substitute a Cc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)C4CCC4)CC3)nn2)cc1 in the molecule halo with a carboxyl.,Cc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(C(=O)[OH])cc4)C(=O)C4CCC4)CC3)nn2)cc1
DelComponent,Please remove a Cc1ccc(CNCC(F)F)nc1 from the molecule halo.,Cc1ccc(CNCCF)nc1
LogP,Modify the molecule CN(c1ccc(O)cc1)c1ccc2c(c1)CCCC2CNc1cnccc1C(=O)[O-] to decrease its LogP value.,CN(O)c1ccc2c(c1)CCCC2CNc1cnccc1C(=O)[O-]
MR,Optimize the molecule CC(Br)=C(C=O)c1cccc(Cl)c1 to have a lower MR value.,CC(Br)=C(Cl)C=O
QED,Please modify the molecule CCCCCC(C)C(O)CC=CCC(=O)OC to decrease its QED value.,CCCCCC(C)C(Br)CC=CCC(=O)OC
AtomNum,"The molecule consists of 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COC(=O)c1ccc(CNC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1
BondNum,"Please generate a molecule with 20 single bonds, 2 double bonds, 12 rotatable bonds, and 6 aromatic bonds.",COCCOCCOCCOc1ccnc(C2=NC(C)(C(=O)[O-])CO2)c1O
FunctionalGroup,"The molecule has 2 benzene ring groups, and 1 amide group.",CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)cn2)cc1
AddComponent,Please add a thiol to the molecule CS(=O)(=O)Cc1cccc(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c1.,CS(=O)(=O)Cc1cc(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1S
SubComponent,Please substitute a COc1c(C)ccc(-c2ccc(C(F)(F)F)cc2)c1C in the molecule halo with a nitrile.,COc1c(C)ccc(-c2ccc(C(F)(F)C#N)cc2)c1C
DelComponent,Remove a amide from the molecule O=C1C2CC=C(CC3CCCCC3)CC2C(=O)N1CCC[NH+]1CCN2c3ccccc3OCC2C1.,O=CC1CC(CC2CCCCC2)=CC1CCC[NH+]1CCN2c3ccccc3OCC2C1
LogP,Optimize the molecule COC(CNC(=O)C=Cc1ccccc1)c1ccccc1C to have a lower LogP value.,COC(CNC(=O)C=Cc1ccccc1)c1ccccc1CC(=O)O
MR,Please modify the molecule C1CC2C[NH2+]C(c3nc(C4CCOCC4)no3)C2C1 to increase its MR value.,OC1(c2nc(C3CCOCC3)no2)[NH2+]CC2CCCC21
QED,Modify the molecule Cc1cc(F)ccc1CNc1ccc(F)cc1F to decrease its QED value.,Cc1cc(NO)ccc1CNc1ccc(F)cc1F
AtomNum,"Please generate a molecule with 19 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCCCCNC(=O)CC[NH+]1CCc2cc(OC)c(OC)cc2C1
BondNum,"The molecule contains 9 single bonds, 6 rotatable bonds, and 21 aromatic bonds.",CCCc1cc2[nH+]c(CC)cn2nc1Cn1ccnc1-c1cccc(F)n1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amine group.",Cc1ccc(NCC[NH+]2CCC3C(CCC[NH+]3C)C2)cc1
AddComponent,Add a amine to the molecule CC(=O)NCc1ccc(-c2csc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1.,CC(=O)NCc1ccc(-c2csc(NC(=O)CCN3C(=O)c4ccc(N)c([N+](=O)[O-])c4C3=O)n2)cc1
SubComponent,Please substitute a Cc1ccc2occ(C=CC(=O)Nc3ccc(C(=O)[O-])c(O)c3)c(=O)c2c1 in the molecule hydroxyl with a nitrile.,Cc1ccc2occ(C=CC(=O)Nc3ccc(C(=O)[O-])c(C#N)c3)c(=O)c2c1
DelComponent,Modify the molecule benzene ring by removing a CCc1cc(O)ccc1CCC(=O)[O-].,CCOCCC(=O)[O-]
LogP,Modify the molecule [NH3+]CC1CCCN1C(=O)CCCN=C1NS(=O)(=O)c2ccccc21 to increase its LogP value.,[NH3+]CC1CCCN1C(=O)CCCN=C1c2ccccc2S1(=O)=O
MR,Modify the molecule CC(CBr)CNC(=O)c1cccc2ccccc12 to have a higher MR value.,CC(CBr)CNC(=O)c1ccc(-c2ccccc2)c2ccccc12
QED,Please optimize the molecule C=C(O)c1ccc(CNC(=S)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)cc1C to have a higher QED value.,C=C(O)CCNC(=S)c1cc(C(=O)NCc2ccc(F)c(C)c2)ncn1
AtomNum,"There is a molecule with 24 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CCN(CC(=O)NCCN1C(=O)SC(=Cc2ccc(OC)c(OC)c2)C1=O)c1ccc(F)cc1
BondNum,"The molecule has 13 single bonds, 3 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",COC(=O)c1sccc1S(=O)(=O)Nc1cc(F)ccc1OCC(F)(F)F
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, 1 thioether group, and 1 sulfide group.",CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1N
AddComponent,Modify the molecule CN(CC(=O)NCC(O)C(N)=O)C(=O)c1ccco1 by adding a thiol.,CN(C(=O)c1ccco1)C(S)C(=O)NCC(O)C(N)=O
SubComponent,Substitute a Cc1ccc([NH+]=C(N)c2ccc3cc(O)ccc3c2)cc1 in the molecule hydroxyl with a nitrile.,Cc1ccc([NH+]=C(N)c2ccc3cc(C#N)ccc3c2)cc1
DelComponent,Modify the molecule amine by removing a Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)cc1N1CCCCS1(=O)=O.,Cc1cc(S(=O)(=O)c2cccc(Cl)c2C)c(C)cc1N1CCCCS1(=O)=O
LogP,Modify the molecule O=C(CSc1nnnn1C1CCCC1)NC1CCCC1 to have a higher LogP value.,C1CCC(Sc2nnnn2C2CCCC2)C1
MR,Modify the molecule O=C(Nc1ccc(C(=O)Oc2cc(Cl)cc(Cl)c2)cc1)OCc1ccccc1 to increase its MR value.,O=C(Nc1ccc(C(=O)Oc2cc(Cl)cc(Cl)c2)cc1)OCc1cccc(O)c1
QED,Modify the molecule CCOC(=O)c1nnn(C2OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)c1Br to have a higher QED value.,CCOC(=O)c1cn(C2OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)nn1
AtomNum,"Please generate a molecule with 11 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",Cc1cc(OC(=O)N(C)N=O)cc(C)c1C
BondNum,"There is a molecule consisting of 13 single bonds, 1 double bond, and 4 rotatable bonds.",CCC1(C)CSC(=[NH+]C(C)COC)N1
FunctionalGroup,"The molecule is composed of 1 ketone group, and 1 halo group.",CC1CC(=O)c2c([O-])ccc(Br)c2C1
AddComponent,Modify the molecule CC(C)(C)C(CCC(N)=O)(NC(=O)c1ccc(NC(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccccc1)C(=O)[O-] by adding a amine.,CC(C)(C)C(NC(=O)c1ccc(NC(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccccc1)(C(=O)[O-])C(N)CC(N)=O
SubComponent,Please substitute a hydroxyl in the molecule COc1csc(C(O)Cc2cncs2)c1 with a aldehyde.,CC(=O)C(Cc1cncs1)c1cc(OC)cs1
DelComponent,Please remove a amide from the molecule COCC[NH+](CCOC)Cc1ccc2[nH]c(-c3cc(OC)c(OS(C)(=O)=O)c4c3C(=O)NC4)cc2c1.,COCC[NH+](CCOC)Cc1ccc2[nH]c(-c34cc(OC)c(OS(C)(=O)=O)c-3C4)cc2c1
LogP,Optimize the molecule Nc1ncc(Br)cc1CCCc1ccccc1 to have a lower LogP value.,Nc1ncccc1CCCc1ccccc1
MR,Please optimize the molecule COc1ccc(Cl)cc1S(=O)(=O)NCC(=O)N1CCCCCC1 to have a higher MR value.,COc1ccc(C(=O)[OH])cc1S(=O)(=O)NCC(=O)N1CCCCCC1
QED,Please optimize the molecule CC1(O)CCC2(CCC(=O)NC3CC3)C(NC(=O)c3ccc(C#N)cc3)CC(C)(C)C2C1 to have a lower QED value.,CC1(O)CCC2(CCC(=O)NC3CC3)C(C1)C(C)(C)CC2(S)NC(=O)c1ccc(C#N)cc1
AtomNum,"The molecule contains 21 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 2 fluorine atoms.",C[NH+]=C(NCc1cccc(OCC(F)F)c1)NCC(c1ccco1)[NH+]1CCCC1
BondNum,"Please generate a molecule composed of 10 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",[NH3+]Cc1c(C(F)F)cnc(C(F)(F)F)c1I
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 sulfone group.",COc1ccc(C)cc1N(CCC(=O)NCCC(C)C)S(C)(=O)=O
AddComponent,Add a benzene ring to the molecule COC(=O)CCc1nc(C)cc(-c2ccccc2)n1.,COC(=O)CCc1nc(Cc2ccccc2)cc(-c2ccccc2)n1
SubComponent,Substitute a halo in the molecule CN(CCN1CCCC1=O)C(=O)C(O)c1cc(Cl)cc(Cl)c1 with a nitrile.,CN(CCN1CCCC1=O)C(=O)C(O)c1cc(Cl)cc(C#N)c1
DelComponent,Remove a halo from the molecule COCCn1c(CN(C(=O)NC(C)C)C2CC2)c[nH+]c1S(=O)(=O)Cc1ccc(F)cc1.,COCCn1c(CN(C(=O)NC(C)C)C2CC2)c[nH+]c1S(=O)(=O)Cc1ccccc1
LogP,Modify the molecule CCn1cc(C(=O)OCC(=O)NC(=O)NCC(C)C)c(=O)c2ccc(C)nc21 to decrease its LogP value.,CCn1cc(C(=O)OCC(=O)NC(=O)NCC(C)CN)c(=O)c2ccc(C)nc21
MR,Modify the molecule CCCCOc1cccc(CCNOCC)c1O to increase its MR value.,CCCC(Oc1cccc(CCNOCC)c1O)c1ccccc1
QED,Please optimize the molecule CCc1ccc(N=c2oc3c(C)ncc(CO)c3cc2C(N)=S)cc1 to have a higher QED value.,CCc1ccc(N=c2oc3c(C)ncc(CO)c3cc2C=S)cc1
AtomNum,"The molecule contains 18 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCCCCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1
BondNum,"Please generate a molecule with 8 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CC(CNC(=O)c1ccc(Cl)cc1Br)c1nccs1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 hydroxyl groups, 3 amide groups, and 1 amine group.",NCC([NH3+])C(=O)Nc1ccc(C#Cc2ccc(C(=O)NC(C(=O)NO)C([NH3+])O)cc2)cc1
AddComponent,Modify the molecule COC(=O)C1=CCC(P)CC=C1[N+](=O)[O-] by adding a hydroxyl.,COC(=O)C1=C(O)CC(P)CC=C1[N+](=O)[O-]
SubComponent,Substitute a O=S(=O)(c1cc(-c2[nH]c(-c3ccccc3OC(F)(F)F)c[nH+]2)ccc1Cl)N1CCC(O)CC1 in the molecule halo with a nitro.,ONC(F)(F)Oc1ccccc1-c1c[nH+]c(-c2ccc(Cl)c(S(=O)(=O)N3CCC(O)CC3)c2)[nH]1
DelComponent,Please remove a amine from the molecule CNc1cc(N(C)C)c2ccccc2c1.,Cc1cc(N(C)C)c2ccccc2c1
LogP,Please modify the molecule C=NC(=C[NH+](C)CC1CC1)c1nccc2c(=O)nc(OCC(F)(F)F)[nH]c12 to decrease its LogP value.,C=NC(=C[NH+](C)CC1CC1)c1nccc2c(=O)nc(OCC(F)(F)C(=O)[OH])[nH]c12
MR,Optimize the molecule COc1cccc(-c2ccc3[nH+]c(NC(=O)NC4CCN(S(=O)(=O)C(C)C)CC4)cn3n2)c1 to have a higher MR value.,COc1cccc(-c2ccc3[nH+]c(NC(=O)NC4CCN(S(=O)(=O)C(C)C)CC4)c(-c4ccccc4)n3n2)c1
QED,Modify the molecule CC(C)Oc1cccc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)c1 to have a higher QED value.,CC(C)Oc1cccc(NC(=O)C(C#N)=Cc2ccccc2)c1
AtomNum,"The molecule is composed of 36 carbon atoms, 3 oxygen atoms, and 7 nitrogen atoms.",C[NH+]1CCCC1c1nnc2ccc(OC3CCC(NC(=O)Nc4cc(N5CCOCC5)cc(C(C)(C)C)c4)c4ccccc43)cn12
BondNum,"The molecule contains 11 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CCn1cc(C(=O)Nc2ccc(OC(F)F)c(OC)c2)cn1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 1 amide group, and 2 halo groups.",Cc1cc(C)cc(CCC(=O)NCC(c2ccc(Cl)cc2)C(C)c2ccc(Cl)cc2)c1
AddComponent,Please add a benzene ring to the molecule CCC(CC)(C[NH3+])C(=O)NCC(c1ccco1)[NH+](C)C.,CCC(CC)(C[NH3+])C(=O)NCC(c1ccco1)[NH+](C)Cc1ccccc1
SubComponent,Substitute a Fc1c(Cl)cccc1OCc1nc(Cl)ccc1Cl in the molecule halo with a nitro.,ONc1c(Cl)cccc1OCc1nc(Cl)ccc1Cl
DelComponent,Remove a benzene ring from the molecule CC(C)(C)P(Cc1ccccc1-c1ccccc1CP(C(C)(C)C)C(C)(C)C)C(C)(C)C.,CC(C)(C)P(Cc1ccccc1CP(C(C)(C)C)C(C)(C)C)C(C)(C)C
LogP,Please optimize the molecule CC(C)OP(OCCC#N)N(C(C)C)N1CCC(O)CC1 to have a lower LogP value.,CC(C)OP(OCC(N)C#N)N(C(C)C)N1CCC(O)CC1
MR,Modify the molecule CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccnc1 to decrease its MR value.,CCN(CC(=O)NOC)C(=O)c1cccnc1
QED,Modify the molecule CC[NH2+]C1CCC(C(C)(C)C)CC1C[NH+](C)C(C)C(C)C to have a lower QED value.,CC[NH2+]C1CCC(C(C)(C)C)CC1C[NH+](C)C(C)C(C)CC#N
AtomNum,"The molecule consists of 26 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",CNC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccccc3OC(F)(F)F)CC2)c1
BondNum,"There is a molecule consisting of 7 single bonds, 4 rotatable bonds, and 16 aromatic bonds.",Cc1cc(-c2csc(N)n2)c(C)n1CCc1ccccc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",CC(CNC(=O)c1ccc(=O)[nH]c1)N(C)c1ccccc1
AddComponent,Modify the molecule CCC(C)NC(=O)CCNc1nnnn1C by adding a aldehyde.,CC(CC=O)C(C)NC(=O)CCNc1nnnn1C
SubComponent,Modify the molecule CC12C=CC(=O)NC1CCC1C3CCC(C(=O)Nc4cc(C(F)(F)F)ccc4C(F)F)C3CCC12 by substituting a halo with a nitrile.,CC12C=CC(=O)NC1CCC1C3CCC(C(=O)Nc4cc(C(F)(F)C#N)ccc4C(F)F)C3CCC12
DelComponent,Modify the molecule CCc1ccc(C(C)NC(=O)NCc2ccc(C)cc2)cc1 by removing a benzene ring.,CCNC(=O)NC(C)c1ccc(CC)cc1
LogP,Modify the molecule CCCCCCCCCCCCCCCCn1c(SCCCCC)nc2c1c(=O)[nH]c(=O)n2C to decrease its LogP value.,CCCCCCCCCCC(O)CCCCCn1c(SCCCCC)nc2c1c(=O)[nH]c(=O)n2C
MR,Optimize the molecule CC1CCCC[NH+]1Cc1ccc(CNC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 to have a lower MR value.,CC1CCCC[NH+]1CCNC(=O)c1cc2ccccc2c(=O)[nH]1
QED,Modify the molecule CCOC(=O)N1CCN(C(=O)C2CC2C(=O)N2CC[NH+](C)CC2)CC1 to have a lower QED value.,CCOC(=O)N1CCN(C(=O)C2CC2C(=O)N2CC[NH+](CO)CC2)CC1
AtomNum,"The molecule has 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CCCNC(=O)Cc1csc(-c2ccccc2C[NH3+])n1
BondNum,"There is a molecule consisting of 24 single bonds, 7 double bonds, 16 rotatable bonds, and 10 aromatic bonds.",NC(=O)CC(NC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)[O-])C(=O)[O-]
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 2 amine groups, 1 halo group, and 1 sulfone group.",CC(C)(C)OC(=O)n1c(NC2CCN(c3ccc(C(=O)NC(CC(=O)[O-])NS(=O)(=O)c4ccc(F)cc4)cc3)CC2)nc2ccccc21
AddComponent,Please add a benzene ring to the molecule COCCC(C)NS(=O)(=O)CCO.,COC(CC(C)NS(=O)(=O)CCO)c1ccccc1
SubComponent,Substitute a OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(OCC[NH2+]Cc1ccccc1)C5O)C(O)C4O)C(O)C3O in the molecule hydroxyl with a nitrile.,N#CCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(OCC[NH2+]Cc1ccccc1)C5O)C(O)C4O)C(O)C3O
DelComponent,Modify the molecule amine by removing a Cc1nn(C2CCC2)c(N)c1C(=O)[O-].,Cc1nn(C2CCC2)cc1C(=O)[O-]
LogP,Please optimize the molecule COc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2F)cc1F to have a lower LogP value.,COc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2O)cc1F
MR,Modify the molecule CCOC(=O)C(F)(F)Cc1cc(C)cc(C)c1OP to decrease its MR value.,CCOC(=O)C(F)Cc1cc(C)cc(C)c1OP
QED,Optimize the molecule CCC(C[NH3+])C(O)c1cccc(Cl)c1Cl to have a lower QED value.,CCC(C[NH3+])C(O)c1ccccc1Cl
AtomNum,"The molecule has 26 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCCCCOc1ccc(C2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1
BondNum,"Please generate a molecule composed of 17 single bonds, 1 double bond, 6 rotatable bonds, and 23 aromatic bonds.",Cc1cc(-c2nc(-c3ccc4c(c3)CCC4[NH2+]C3CC(C(=O)[O-])C3)no2)ccc1-c1ccccc1F
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 2 amide groups, and 3 halo groups.",C=CCN(CC(=O)Nc1[nH+]c(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1)C(=O)Cc1ccccc1
AddComponent,Modify the molecule CN(c1ccccc1-c1ccc2c(c1)Nc1cc(C(=O)NCCCN3CCCC3=O)ccc1NC2=O)S(C)(=O)=O by adding a benzene ring.,CN(c1ccccc1-c1ccc2c(c1)Nc1cc(C(=O)NCCC(c3ccccc3)N3CCCC3=O)ccc1NC2=O)S(C)(=O)=O
SubComponent,Modify the molecule halo by substituting a Nc1ccc(Br)cc1C(=O)NN1CCCCC1 with a hydroxyl.,Nc1ccc(O)cc1C(=O)NN1CCCCC1
DelComponent,Modify the molecule C[NH2+]C(C)c1ccnc(Oc2ccc(C)cc2Br)c1 by removing a halo.,C[NH2+]C(C)c1ccnc(Oc2ccc(C)cc2)c1
LogP,Optimize the molecule NS(=O)(=O)c1cc(C(=O)NC2CCOCC2)ccc1F to have a lower LogP value.,NS(=O)(=O)c1c(F)ccc(C(=O)NC2CCOCC2)c1CC=O
MR,Modify the molecule COc1cccc(C([O-])=C2C(=O)C(=O)N(Cc3ccccc3)C2c2ccccc2F)c1 to increase its MR value.,COc1cccc(C([O-])=C2C(=O)C(=O)N(Cc3ccccc3)C2c2ccccc2NO)c1
QED,Optimize the molecule CCC(CC)CC([NH3+])COc1ccc(Cl)cc1 to have a lower QED value.,CCC(CC)CC([NH3+])COc1ccc(S)cc1
AtomNum,"There is a molecule composed of 33 carbon atoms, and 9 oxygen atoms.",COCc1cc(OCCCCCCc2cccc(OCCCC(=O)[O-])c2CCC(=O)[O-])cc(-c2ccc(O)c(O)c2)c1
BondNum,"There is a molecule with 10 single bonds, 3 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",COc1cc(C)ccc1S(=O)(=O)Nc1cc(-c2ccccc2)sc1OC(=O)[O-]
FunctionalGroup,There is a molecule composed of and 1 ester group.,COC(=O)CC(C)CC(C)C
AddComponent,Add a aldehyde to the molecule CCn1c(CCNC(=O)C(C#N)=Cc2cc(C)n(C(C)COC)c2C)n[nH]c1=S.,CCn1c(CCNC(=O)C(C#N)=Cc2cc(C)n(C(C)(CC=O)COC)c2C)n[nH]c1=S
SubComponent,Please substitute a O=C(Nc1nnc(Cc2ccccc2)s1)c1c(Cl)nc2sccn12 in the molecule halo with a hydroxyl.,O=C(Nc1nnc(Cc2ccccc2)s1)c1c(O)nc2sccn12
DelComponent,Remove a CC(C(=O)Nc1cccc(NC(=O)C2CCC[NH2+]2)c1)n1cccn1 from the molecule benzene ring.,CC(C(=O)NNC(=O)C1CCC[NH2+]1)n1cccn1
LogP,Please modify the molecule O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1Cl to decrease its LogP value.,O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1ccccc1Cl
MR,Please optimize the molecule CN(CC1CC[NH+](C)C1)c1cc(CN)[nH+]c2ccccc12 to have a lower MR value.,Cc1cc(N(C)CC2CC[NH+](C)C2)c2ccccc2[nH+]1
QED,Optimize the molecule CCCCCCCC(=O)NC1C2CCC(C2)C1C(=O)[O-] to have a lower QED value.,CCCCCCC1C2CCC(C2)C1C(=O)[O-]
AtomNum,"There is a molecule with 12 carbon atoms, 1 nitrogen atom, and 1 bromine atom.",Cc1ccc(Br)c(C2(C)CCC[NH2+]2)c1
BondNum,"The molecule is composed of 13 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",CC(C)C1CCN2C(=O)c3ccccc3NCC12
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 2 hydroxyl groups, 1 ketone group, 1 amine group, and 1 sulfone group.",COc1cc(C=CC(=O)C=C(C=Cc2ccc(O)c(OC)c2)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)ccc1O
AddComponent,Modify the molecule CCNC(=O)Nc1cccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)c1 by adding a benzene ring.,CCNC(=O)Nc1cccc(NC(=O)CCC(Oc2ccc3c(c2)CCC(=O)N3)c2ccccc2)c1
SubComponent,Please substitute a COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1cn(C)c(=O)c2cc(S(=O)(=O)[N-]c3ccon3)ccc12 in the molecule halo with a thiol.,COc1cc(-c2cccc(S)c2)c(Cl)cc1-c1cn(C)c(=O)c2cc(S(=O)(=O)[N-]c3ccon3)ccc12
DelComponent,Modify the molecule COc1ccccc1C1CCN(C(=O)Cn2ncn3cccc3c2=O)CC1 by removing a amide.,COc1ccccc1C1CCC(n2ncn3cccc3c2=O)C1
LogP,Optimize the molecule Cc1c(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)cccc1[N+](=O)[O-] to have a lower LogP value.,Cc1([O-])c(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)ccc-1O
MR,Modify the molecule CC(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(Cl)cc3)no2)CC1 to have a higher MR value.,CC(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(C(=O)[OH])cc3)no2)CC1
QED,Please optimize the molecule CC(C)CCc1[nH]nc(N)c1CC(C)C to have a higher QED value.,CC(C)Cc1c(N)n[nH]c1C(C#N)CC(C)C
AtomNum,"Please generate a molecule with 24 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 fluorine atom.",CCCCC1CCC(C(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)CC1
BondNum,"The molecule has 5 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",O=[N+]([O-])c1ccc(N=NCc2nc3ccccc3s2)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ketone group, 1 ester group, and 3 halo groups.",COc1ccc2nc(C)c(C(=O)OCC(=O)c3cccc(C(F)(F)F)c3)cc2c1
AddComponent,Add a hydroxyl to the molecule CC[NH+]1CCC(NC(=O)NC2CCCOC2)C1.,CC[NH+]1CC(NC(=O)NC2CCCOC2)CC1O
SubComponent,Substitute a halo in the molecule CN(C(=O)c1cccc(Cl)c1F)c1ccccc1N with a thiol.,CN(C(=O)c1cccc(S)c1F)c1ccccc1N
DelComponent,Please remove a amine from the molecule CC1=[NH+]C(C(F)(F)F)(C(F)(F)F)NC(=O)N1C1CCCC1.,CC1N(C2CCCC2)C(=O)NC1(C(F)(F)F)C(F)(F)F
LogP,Optimize the molecule Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1O to have a lower LogP value.,O=C([OH])c1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1O
MR,Modify the molecule Oc1ccccc1-c1cc(-c2ccccc2O)n(-c2ccccc2O)n1 to have a higher MR value.,N#Cc1cccc(-c2cc(-c3ccccc3O)nn2-c2ccccc2O)c1O
QED,Modify the molecule CC(=O)C12OC(C)(C)OC1CC1C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C to decrease its QED value.,CC(=O)C12OC(C)(C)OC1CC1C3CCC4=CC(=O)CCC4(C)C3(C#N)C(O)CC12C
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 2 oxygen atoms, 9 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",Cc1cc(C#N)cc(C(N)=O)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ccccc1Cl
BondNum,"There is a molecule with 21 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccc(Cl)cc1S(=O)(=O)N1CCCC(C(=O)NC2CCCCCC2)C1
FunctionalGroup,"The molecule has 1 aldehyde group, and 1 amide group.",CC(C)CCCC(C)NC(=O)C[NH+]1CCCC(C=O)C1
AddComponent,Modify the molecule COCCN1CCOc2cc3c(c(C)c21)C(C)C[NH2+]CC3 by adding a carboxyl.,COCC(C(=O)O)N1CCOc2cc3c(c(C)c21)C(C)C[NH2+]CC3
SubComponent,Please substitute a Cc1cc(Br)cc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cc(C)cc(Oc5ccc(S(=O)(=O)c6ccc(Oc7cccc(Br)c7C)cc6)cc5)c4)cc3)cc2)c1 in the molecule halo with a aldehyde.,CC(=O)c1cc(C)cc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cc(C)cc(Oc5ccc(S(=O)(=O)c6ccc(Oc7cccc(Br)c7C)cc6)cc5)c4)cc3)cc2)c1
DelComponent,Remove a COc1ccc(CNC(=O)c2[nH]c3c(c2-c2cccc(S(N)(=O)=O)c2)C(C)(C)Oc2cnccc2-3)cc1 from the molecule benzene ring.,COc1ccc(CNC(=O)c2[nH]c3c(c2S(N)(=O)=O)C(C)(C)Oc2cnccc2-3)cc1
LogP,Optimize the molecule O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1 to have a lower LogP value.,O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(C(=O)[OH])cc1
MR,Please optimize the molecule O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl to have a higher MR value.,O=C1NC(=S)N(c2ccc(Cl)c(-c3ccccc3)c2)C(=O)C1=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl
QED,Optimize the molecule CCC1CCC(C#N)(C2(O)CCCCC2)C1 to have a lower QED value.,CCC1CC(C#N)(C2(O)CCCCC2)CC1O
AtomNum,"There is a molecule consisting of 12 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCNc1cccc(NCCCC(C)O)n1
BondNum,"The molecule has 11 single bonds, 1 double bond, 9 rotatable bonds, and 11 aromatic bonds.",COC(=O)CCCCCCCCc1ccc2cccnc2n1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 1 amine group, and 3 halo groups.",Nc1noc2cccc(C(=O)Nc3ccc(F)c(CNC(=O)Nc4ccc(OC(F)F)cc4)c3)c12
AddComponent,Modify the molecule COC(=O)C1CCCCN1C(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)NNC(=O)OC(C)(C)C)c4cnc(OC)cc4n3)cc2)c(Cl)c1 by adding a benzene ring.,COC(=O)C1CCC(c2ccccc2)CN1C(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)NNC(=O)OC(C)(C)C)c4cnc(OC)cc4n3)cc2)c(Cl)c1
SubComponent,Substitute a O=C([O-])C1CCCC(NC(=O)C(C(F)(F)F)C(F)(F)F)C1 in the molecule halo with a aldehyde.,CC(=O)C(F)(F)C(C(=O)NC1CCCC(C(=O)[O-])C1)C(F)(F)F
DelComponent,Modify the molecule halo by removing a COCc1c(F)cc(-c2ccc(-n3cc(C(F)(F)F)[nH+]c3C)c(-n3nncc3-c3ccc(OC(F)(F)F)cc3)c2)cc1S(C)(=O)=O.,COCc1c(F)cc(-c2ccc(-n3cc(C(F)(F)F)[nH+]c3C)c(-n3nncc3-c3ccc(OC(F)F)cc3)c2)cc1S(C)(=O)=O
LogP,Optimize the molecule CCCCN1C(=O)CC(=O)N(CCOC)C1=O to have a lower LogP value.,CCCC1C(=O)N(CCOC)C1=O
MR,Optimize the molecule COc1cccc(CCNC(=O)c2cnc(NC3CCCCCC3)nc2)c1 to have a lower MR value.,COc1cccc(CCNC(=O)c2cnc(C3CCCCCC3)nc2)c1
QED,Optimize the molecule C[NH+](C)CCOCc1ccc(C[NH2+]C2CC2)cc1Br to have a lower QED value.,C[NH+](C)CCOCc1ccc(C[NH2+]C2CC2)cc1S
AtomNum,"The molecule contains 9 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",COCC(O)c1c(Cl)cnn1C(C)C
BondNum,"The molecule is composed of 11 single bonds, 1 triple bond, 2 rotatable bonds, and 10 aromatic bonds.",N#CCCn1c(C(F)(F)F)nc2cc3c(cc21)OCO3
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 1 amide group.",Cc1ccc(C(NC(=O)c2cnc3ccccn3c2=O)c2ccccc2)cc1
AddComponent,Add a thiol to the molecule CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1.,CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)C(S)C2)c1
SubComponent,Substitute a C[NH+]1CCC(C(=O)N2CCC(O)(Cn3cnc4c(ccn4-c4ccccc4)c3=O)CC2)C(c2ccccc2)C1 in the molecule hydroxyl with a halo.,C[NH+]1CCC(C(=O)N2CCC(Cl)(Cn3cnc4c(ccn4-c4ccccc4)c3=O)CC2)C(c2ccccc2)C1
DelComponent,Remove a CC(C)Oc1ccc(NCCC(=O)N(Cc2ccccc2)C(C)C)cc1 from the molecule benzene ring.,CC(C)Oc1ccc(NCCC(=O)N(C)C(C)C)cc1
LogP,Modify the molecule COCCCN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccccc2F)C1=O to have a lower LogP value.,COCCCN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccccc2)C1=O
MR,Modify the molecule CC[NH+](CC)C(C)OC(C)Cl to have a higher MR value.,CC[NH+](CC)C(C)OC(C)S
QED,Modify the molecule O=C([O-])C1CC1C(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 to decrease its QED value.,O=C([O-])C1CC1C(NP(=O)(c1ccccc1)c1cccc(O)c1)c1ccccc1
AtomNum,"There is a molecule composed of 29 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CC1=C(c2ccc(N=O)cc2)C(c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(O)ccc21
BondNum,"Please generate a molecule with 14 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)c1nc(N)cc(NCC[NH+]2CCSCC2)n1
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 amine group, and 1 sulfone group.",O=S(=O)(NC1CC[NH+]2CCCCC12)c1cnn(CCO)c1
AddComponent,Please add a carboxyl to the molecule c1c[nH]c(-c2ccc3sccc3c2)n1.,O=C(O)c1cc(-c2ncc[nH]2)cc2ccsc12
SubComponent,Modify the molecule Nc1ccc(NCC[NH+]2CCCCC2)c(F)c1 by substituting a halo with a aldehyde.,CC(=O)c1cc(N)ccc1NCC[NH+]1CCCCC1
DelComponent,Please remove a amine from the molecule Nc1cc[nH+]c(CC(=O)[O-])c1C(F)F.,O=C([O-])Cc1[nH+]cccc1C(F)F
LogP,Modify the molecule C[NH+]=C(NCCc1ccc(OCC(=O)NC2CC2)cc1)NCCC(F)(F)F to have a lower LogP value.,C[NH+]=C(NCCc1ccc(OCC(=O)NC2CC2)cc1)NCC(C(=O)O)C(F)(F)F
MR,Modify the molecule O=[N+]([O-])c1ccc(CC[NH+](Cc2cccs2)CC2CCCO2)cc1 to increase its MR value.,O=[SH]c1ccc(CC[NH+](Cc2cccs2)CC2CCCO2)cc1
QED,Please optimize the molecule CCNC(=O)C[NH+]1CCN(S(=O)(=O)c2ccccc2-c2ccccc2)CC1 to have a higher QED value.,CC[NH+]1CCN(S(=O)(=O)c2ccccc2-c2ccccc2)CC1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 1 nitrogen atom, and 2 fluorine atoms.",FC(F)c1nc2c(ccc3ccccc32)c2c1CCC2
BondNum,"There is a molecule consisting of 21 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",CCNC(=[NH+]Cc1cccc(OCc2ccccn2)c1)N1CCN(C(C)C(F)(F)F)CC1
FunctionalGroup,The molecule has and 2 benzene ring groups.,COc1ccc(C=c2[nH]c(=O)n3c2=NN(c2ccccc2)C3)cc1
AddComponent,Please add a benzene ring to the molecule COc1cncc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.,COc1cncc(-c2cc(NC3(c4ccccc4)CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1
SubComponent,Modify the molecule nitrile by substituting a CC(C)(C)C(=O)c1cnc2ncc([As]c3ccc(C=C(C#N)C(=O)N4CCCCC4)cc3)[nH]c1-2 with a halo.,CC(C)(C)C(=O)c1cnc2ncc([As]c3ccc(C=C(Cl)C(=O)N4CCCCC4)cc3)[nH]c1-2
DelComponent,Remove a halo from the molecule C[NH2+]C(Cc1cccs1)c1cc(F)cc(F)c1.,C[NH2+]C(Cc1cccs1)c1cccc(F)c1
LogP,Please modify the molecule O=C(C[NH+](CC1CCCCC1)C1CC1)Nc1ccc(Br)cn1 to decrease its LogP value.,O=C(C[NH+](CC1CCC(O)CC1)C1CC1)Nc1ccc(Br)cn1
MR,Modify the molecule CCc1cc(Nc2cc(Cc3ccccc3)nc(N3CC4(C)CC4C3C(N)=O)n2)n[nH]1 to decrease its MR value.,CCc1cc(-c2cc(Cc3ccccc3)nc(N3CC4(C)CC4C3C(N)=O)n2)n[nH]1
QED,Please optimize the molecule N#Cc1ccc(OCC(=O)NNC(=O)c2sccc2-c2ccccc2)cc1 to have a higher QED value.,O=C(COc1ccccc1)NNC(=O)c1sccc1-c1ccccc1
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1ccccc1-n1c(C)cc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c1C
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",O=C(NCCc1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ketone group, and 1 amide group.",CC1=C2CC3C(CCC4=CC(=O)CC(C)C43)C2CCC2(C1)OC1CC(C)C[NH+](CC(=O)NCCCc3ccccc3)C1C2C
AddComponent,Add a aldehyde to the molecule CCOCC(O)CCCCO.,CCOCC(O)(CC=O)CCCCO
SubComponent,Substitute a COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OCC(C)C)cc3)C2c2cccc(OCC(C)C)c2)cc1 in the molecule hydroxyl with a carboxyl.,COC(=O)c1ccc(N2C(=O)C(C(=O)[OH])=C(c3ccc(OCC(C)C)cc3)C2c2cccc(OCC(C)C)c2)cc1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(C)c(CC(=O)Nc2cc(Br)ccc2C#N)c1.,CCCC(=O)Nc1cc(Br)ccc1C#N
LogP,Modify the molecule CC(C)[NH2+]Cc1cccnc1N(C)CC1CCCC1 to decrease its LogP value.,CC(C)[NH2+]C(C(=O)O)c1cccnc1N(C)CC1CCCC1
MR,Please optimize the molecule Nc1cc(N)nc(SCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)n1 to have a lower MR value.,Nc1cc(N)nc(SC2(c3ccc4c(c3)OCCO4)CCCC2)n1
QED,Optimize the molecule O=C(Nc1cccc(C(F)(F)F)c1)C1=CCCc2cc(Oc3cc(CO)ncn3)ccc21 to have a lower QED value.,ONC(F)(F)c1cccc(NC(=O)C2=CCCc3cc(Oc4cc(CO)ncn4)ccc32)c1
AtomNum,"The molecule has 17 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",COc1ccc(-n2nc3c(cc2=O)CCSc2scc(Br)c2-3)cc1
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",O=c1[nH]c2cc(Nc3ccccc3)ccc2n1CC1CCCO1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 halo group.",CC(C)n1cnc2cc(CCNC(=O)Cc3ccccc3F)ccc21
AddComponent,Add a hydroxyl to the molecule O=C(C1CCCC1)N1CCC(F)(C(=O)N2CCCC2)CC1.,O=C(C1CCC(O)C1)N1CCC(F)(C(=O)N2CCCC2)CC1
SubComponent,Modify the molecule nitro by substituting a CC(C)(C)Nc1ncnc(Nc2nc3ccccc3s2)c1[N+](=O)[O-] with a halo.,CC(C)(C)Nc1ncnc(Nc2nc3ccccc3s2)c1I=O
DelComponent,Please remove a benzene ring from the molecule COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccccc2)cc1.,COc1ccc(S(=O)(=O)N(CC(=O)NCC(N)=O)Cc2ccccc2)cc1
LogP,Please modify the molecule O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 to decrease its LogP value.,O=C(c1ccc(O)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21
MR,Please modify the molecule Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N=C=O)cc2)n1 to increase its MR value.,Cc1cc(CO)nc([N-]S(=O)(=O)c2ccc(N=C=O)cc2)n1
QED,Please optimize the molecule CC(=O)N(CCNS(=O)(=O)c1ccc(C(C)C)cc1)Cc1ccccc1F to have a higher QED value.,CC(=O)N(CCNS(=O)(=O)c1ccc(C(C)C)cc1)Cc1ccccc1
AtomNum,"The molecule has 22 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CN(C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C)C1CCCCC1
BondNum,"Please generate a molecule composed of 18 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCN(CC)C(=O)c1cc(N)ccc1N1CCN(C(=O)Nc2cccc(C)c2)CC1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 4 amide groups, and 2 halo groups.",CCCNC(=O)c1cc(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4cccc(F)c4)ccc3C)CC2)ccc1Cl
AddComponent,Please add a hydroxyl to the molecule O=C(NC1CC2CCC1[NH2+]2)c1cc2ccccc2cn1.,O=C(NC1CC2CCC1[NH2+]2)c1cc2cccc(O)c2cn1
SubComponent,Please substitute a nitrile in the molecule N#CCCCCOc1ccc(C(=O)[O-])cc1N with a thiol.,Nc1cc(C(=O)[O-])ccc1OCCCCS
DelComponent,Modify the molecule halo by removing a Cc1ccc(Br)c(NC(=O)N2CC(C(C)C(=O)[O-])C2)c1.,Cc1cccc(NC(=O)N2CC(C(C)C(=O)[O-])C2)c1
LogP,Modify the molecule CN(c1cc(C(=O)N2CCOc3ccccc32)ccc1Cl)S(C)(=O)=O to have a lower LogP value.,CN(c1c(Cl)ccc(C(=O)N2CCOc3ccccc32)c1C(=O)O)S(C)(=O)=O
MR,Modify the molecule CCCC(CN(CC)CC)[NH2+]CC to have a higher MR value.,CCCC(CN(CC)C(C)C#N)[NH2+]CC
QED,Modify the molecule COc1c2c(c([O-])c3c1C(=O)c1c(cc(O)c(C)c1[O-])C3=O)-c1c(cc3cnn(CC(F)(F)F)c(=O)c3c1[O-])CC2 to decrease its QED value.,CC(=O)c1cc2c(c([O-])c1C)C(=O)c1c(OC)c3c(c([O-])c1C2=O)-c1c(cc2cnn(CC(F)(F)F)c(=O)c2c1[O-])CC3
AtomNum,"The molecule has 19 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 chlorine atom, and 1 bromine atom.",CC(C)Oc1cccc(CCCNC(=O)c2cc(Br)ccc2Cl)c1
BondNum,"There is a molecule consisting of 11 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC1(C)COCC(Cc2ccccc2Br)[NH2+]1
FunctionalGroup,Please generate a molecule consisting and 2 benzene ring groups.,C=Cc1ccc(CC2(Cc3ccc(C=C)cc3)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3-c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc32)cc1
AddComponent,Modify the molecule CS(=O)(=O)OCC1CCN(c2cc[nH+]cc2)CC1 by adding a hydroxyl.,CS(=O)(=O)OC(O)C1CCN(c2cc[nH+]cc2)CC1
SubComponent,Please substitute a nitrile in the molecule CN(C(=O)C1CCS(=O)(=O)C1)c1ccccc1C#N with a aldehyde.,CC(=O)c1ccccc1N(C)C(=O)C1CCS(=O)(=O)C1
DelComponent,Modify the molecule amide by removing a CCC(C)C(=O)NC(C)C(=O)N1CCCCC1.,CCC(C)C(=O)NC1CCCCC1
LogP,Please optimize the molecule CCCNc1ncnc(NCc2cc(C)on2)c1OC to have a lower LogP value.,CCCNc1ncnc(Cc2cc(C)on2)c1OC
MR,Please optimize the molecule NC1=[NH+]C(C2CCc3ccccc3CC2)CS1 to have a higher MR value.,NC1=[NH+]C(C2CCc3ccccc3CC2S)CS1
QED,Modify the molecule CCOC(=O)CCC(=NOCC(N)=O)c1nc2ccccc2n(C(C)CC2C3CCCC3[NH+]2C2CC3CCCCC(C3)C2)c1=O to have a lower QED value.,CCOC(=O)CCC(=NO)c1nc2ccccc2n(C(C)CC2C3CCCC3[NH+]2C2CC3CCCCC(C3)C2)c1=O
AtomNum,"There is a molecule consisting of 18 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",Cc1cc(C)c(OCC(=O)N2CCC3OCC(=O)NC3C2)c(C)c1
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CCCc1noc(COc2ccc(F)cc2C(=O)[O-])n1
FunctionalGroup,"The molecule contains 1 ketone group, and 1 nitrile group.",CC(=O)c1ccn(CCCC#N)c1C
AddComponent,Modify the molecule O=C(NC1CC(C(=O)[O-])C1)c1cncc(-c2ccc3c(c2)CCO3)c1 by adding a aldehyde.,O=CCC1(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CC(C(=O)[O-])C1
SubComponent,Please substitute a hydroxyl in the molecule Cc1ccc(O)c(NS(=O)(=O)c2cnn(C)c2)n1 with a halo.,Cc1ccc(F)c(NS(=O)(=O)c2cnn(C)c2)n1
DelComponent,Modify the molecule Cc1ccc(C)c(CC(=O)N2CC(C[NH3+])CC2C)c1 by removing a amide.,Cc1ccc(C)c(C2C(C)CC2C[NH3+])c1
LogP,Modify the molecule CN(C)C(=O)NCCNCc1cn2ccsc2[nH+]1 to increase its LogP value.,CN(C)C(=O)NCCNCc1cn2cc(-c3ccccc3)sc2[nH+]1
MR,Please optimize the molecule C=C(CO)C(=O)OCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC=CC)CC4)cc3)c(CC)c2)cc1 to have a higher MR value.,C=C(CC(=O)[OH])C(=O)OCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC=CC)CC4)cc3)c(CC)c2)cc1
QED,Modify the molecule CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C(C)(C)O to have a higher QED value.,CC(C)c1cc(-c2cnc(N)c(OC(F)F)c2)nn1C(C)C
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",O=C(OCC1CCCO1)c1ccc(NCCO)cc1
BondNum,"Please generate a molecule consisting 18 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",COc1ccc(CN(C)C(=O)C=CC2OC(n3cc(C)c(=O)[nH]c3=O)CC2O)cc1OC
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, 6 halo groups, 1 nitrile group, and 1 sulfone group.",N#Cc1cc(C(F)(F)F)cc(S(N)(=O)=O)c1C(F)(F)F
AddComponent,Modify the molecule CCOC(=O)CCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21 by adding a amine.,CCOC(=O)CC(N)Cn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
SubComponent,Modify the molecule CCNC(=O)C([NH3+])c1cc(F)c(F)c(F)c1 by substituting a halo with a thiol.,CCNC(=O)C([NH3+])c1cc(F)c(F)c(S)c1
DelComponent,Please remove a C[NH2+]C(C)(C)C(=O)NC(Cc1ccc(O)c(O)c1)C(=O)[O-] from the molecule benzene ring.,C[NH2+]C(C)(C)C(=O)NC(C(=O)[O-])C(O)O
LogP,Please optimize the molecule O=C([O-])CCOC1CCN(C(=O)N2CC(O)C(O)C2)CC1 to have a higher LogP value.,O=C([O-])CCOC1CCN(C(=O)N2CCC(O)C2)CC1
MR,Please optimize the molecule CSCCC(NC(=O)C(C)NC(=O)C[NH3+])C(=O)NC(CS)C(=O)[O-] to have a lower MR value.,CSCCC(NC(=O)C(C)NC(=O)C[NH3+])C(=O)NC(CC#N)C(=O)[O-]
QED,Optimize the molecule CN(C)S(=O)(=O)N1CCC(F)(c2ccccc2)CC1 to have a higher QED value.,CN(C)S(=O)(=O)N1CCC(C(=O)[OH])(c2ccccc2)CC1
AtomNum,"The molecule consists of 14 carbon atoms, and 1 oxygen atom.",CCCC(C)CC(CO)c1ccccc1
BondNum,"There is a molecule with 10 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",COc1c(N)cccc1C1CCC[NH+]1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 halo group, and 1 sulfide group.",COc1ccc(OCc2cc3cc(F)ccc3s2)cc1
AddComponent,Modify the molecule COc1cc([NH+]=C(N)SC)cc(OC)c1OC by adding a benzene ring.,COc1cc([NH+]=C(N)SC)c(-c2ccccc2)c(OC)c1OC
SubComponent,Modify the molecule hydroxyl by substituting a COc1ccc(OC(C)C(C)O)c(C[NH2+]CC(C)C)c1 with a thiol.,COc1ccc(OC(C)C(C)S)c(C[NH2+]CC(C)C)c1
DelComponent,Please remove a CCC1(c2ccc(Cl)cc2)CC[NH2+]CC1(C)C from the molecule halo.,CCC1(c2ccccc2)CC[NH2+]CC1(C)C
LogP,Modify the molecule CCc1cc(F)c(CCC2CCC(C3CC=C(F)CC3)CC2)c(F)c1 to decrease its LogP value.,CCc1cc(F)c(CCC2CCC(C3CC=CCC3)CC2)c(F)c1
MR,Modify the molecule O=C(CSCc1cc(-c2cccs2)on1)N1CCOC2CCCC21 to have a lower MR value.,c1csc(-c2cc(C[SH]3CCOC4CCCC43)no2)c1
QED,Modify the molecule Cc1ccc(-n2cc(-c3ccccc3)[nH+]c2NC(=O)CN(C(=S)NC(C)C)C2CC2)cc1 to increase its QED value.,Cc1ccc(-n2cc[nH+]c2NC(=O)CN(C(=S)NC(C)C)C2CC2)cc1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CC(C)(C)OC(=O)N1CCN(C(=S)NCCc2cnc[nH]2)CC1
BondNum,"The molecule is composed of 58 single bonds, 4 double bonds, and 8 rotatable bonds.",C=C1COC2C(C)C(=NO)C(C)CC(C)(OC1)C(OC1OC(C)CC([NH+](C)C)C1OC(C)=O)C(C)C(OC1CC(C)(OC)C(O)C(C)O1)C(C)C(=O)OC(CC)C2(C)O
FunctionalGroup,There is a molecule with and 1 amine group.,CC1CC(Oc2ncccc2N)CC(C)(C)C1
AddComponent,Please add a hydroxyl to the molecule CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(OC)c1)C(CC)C(=O)NC1CCCC1)S(C)(=O)=O.,CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(OC)c1)C(CC)C(=O)NC1CCCC1)S(=O)(=O)CO
SubComponent,Substitute a Cc1c(Cl)cccc1NC(=O)CNC(=O)COC(=O)CNC(=O)c1ccco1 in the molecule halo with a hydroxyl.,Cc1c(O)cccc1NC(=O)CNC(=O)COC(=O)CNC(=O)c1ccco1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(C2OC(=O)c3ccccc3S2)cc1.,COC1OC(=O)c2ccccc2S1
LogP,Please optimize the molecule CC(C)(C)OC(=O)CCNc1ccc2cc(Br)ccc2c1 to have a lower LogP value.,CC(C)(C)OC(=O)CCNc1ccc2cc(C#N)ccc2c1
MR,Optimize the molecule O=C([O-])c1ccc(COc2ccccc2CO)cc1 to have a higher MR value.,O=C([O-])c1ccc(COc2ccccc2CBr)cc1
QED,Modify the molecule Cn1nnc(CC(NN)c2ccc3c(c2)CCO3)n1 to have a higher QED value.,Cn1nnc(CC(N)c2ccc3c(c2)CCO3)n1
AtomNum,"The molecule has 25 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1c(-c2ccccc2)ccc(C#N)c1C(=O)Nc1ccc(N2CCOC(C)C2)nc1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",COc1ccc(Cc2cnc(NC(=O)CSc3cc(Cl)ccc3Cl)s2)cc1
FunctionalGroup,The molecule consists of and 2 amide groups.,CCC(=O)N1CCC(C(=O)Nc2nc3ncccc3[nH]2)C1
AddComponent,Please add a hydroxyl to the molecule COc1ccc2[nH]c(C(=O)NC(C)c3nncn3C3CCCC3)cc2c1.,COc1cc2cc(C(=O)NC(C)c3nncn3C3CCCC3)[nH]c2cc1O
SubComponent,Please substitute a Cc1cc(Br)c(S(=O)(=O)Cl)cc1C#N in the molecule halo with a nitrile.,Cc1cc(C#N)c(S(=O)(=O)Cl)cc1C#N
DelComponent,Please remove a amide from the molecule COC(=O)CN(C(=O)C(F)=C(C)c1cccc(C#N)c1)c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1.,COC(=O)C(c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)C(C)(F)c1cccc(C#N)c1
LogP,Modify the molecule [NH3+]C1(CC(=O)Nc2cc(F)cc(F)c2)CCCC1 to increase its LogP value.,[NH3+]C1(C(C(=O)Nc2cc(F)cc(F)c2)c2ccccc2)CCCC1
MR,Please optimize the molecule Cc1cc(C)n(CC(=O)N2CCN(c3scnc3-c3nc4ccccc4[nH]3)CC2)n1 to have a lower MR value.,Cc1cc(C)n(C2CCN(c3scnc3-c3nc4ccccc4[nH]3)C2)n1
QED,Optimize the molecule CCNC(=[NH+]Cc1ccc(OCc2ccccn2)cc1)N1CCC(C)(C)C1 to have a lower QED value.,CCNC(=[NH+]COCc1ccccn1)N1CCC(C)(C)C1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",CCC(O)c1ccc(N2CCSCC2)cc1
BondNum,"Please generate a molecule consisting 7 single bonds, 1 triple bond, 4 rotatable bonds, and 17 aromatic bonds.",COc1ccc(-c2cc(-c3ccco3)c(C#N)c(SC)n2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 3 halo groups.",O=C(Nc1c(F)cc(F)cc1Br)NC1CC1
AddComponent,Add a hydroxyl to the molecule Cn1c(N2CCCC(C(=O)N3CCOc4ccccc43)C2)nc(-c2ccncn2)cc1=O.,Cn1c(N2CCCC(C(=O)N3CCOc4ccccc43)C2)nc(-c2cc(O)ncn2)cc1=O
SubComponent,Substitute a O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)cc1 in the molecule halo with a carboxyl.,O=C(Nc1cc(C(F)(F)C(=O)[OH])ccc1N1CCOCC1)c1ccc(Cl)cc1
DelComponent,Remove a benzene ring from the molecule CN(CC(=O)NCC(NC(=O)OCc1ccccc1)C(=O)[O-])C(=O)c1ccc(NC(=O)NCc2ccccc2)o1.,CNC(=O)Nc1ccc(C(=O)N(C)CC(=O)NCC(NC(=O)OCc2ccccc2)C(=O)[O-])o1
LogP,Please modify the molecule COc1ccc(CN(C)C(=O)NCC(C)C[NH+]2CCCC2)cc1O to decrease its LogP value.,COc1ccc(CN(C)C(=O)NCC(C)C[NH+]2CCCC2N)cc1O
MR,Modify the molecule COCCOCC(=O)Nc1ccc(NC(=O)N2CCc3ccccc3C2)cc1 to decrease its MR value.,COCCOCC(=O)NNC(=O)N1CCc2ccccc2C1
QED,Modify the molecule CC[NH+](CC1CCCO1)C1CCN(c2cccc(NC(=O)c3ccccc3OC)c2)CC1 to decrease its QED value.,CC[NH+](CC1CCCO1)C1CCN(c2cccc(NC(=O)c3cccc(-c4ccccc4)c3OC)c2)CC1
AtomNum,"The molecule contains 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 chlorine atom.",CCC(NC(=O)c1c(Cl)cnn1CC)c1ccccc1
BondNum,"There is a molecule with 6 single bonds, 1 double bond, and 6 aromatic bonds.",CC1C=Cc2cc(N)ccc2O1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, and 1 sulfide group.",OCC(CCc1cccs1)Cc1ccccc1
AddComponent,Please add a amine to the molecule N#Cc1ccc(NCC[NH+]2CCSCC2)c(F)c1Br.,N#Cc1cc(N)c(NCC[NH+]2CCSCC2)c(F)c1Br
SubComponent,Modify the molecule Nc1cccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)n1 by substituting a halo with a nitro.,Nc1cccc(-c2csc(Nc3cccc(C(F)(F)NO)c3)n2)n1
DelComponent,Please remove a Cc1ccc2scc(F)c2c1CBr from the molecule halo.,Cc1ccc2sccc2c1CBr
LogP,Modify the molecule C[NH2+]Cc1cc(F)cc(N2CCCc3ccccc32)c1 to decrease its LogP value.,C[NH2+]C(F)N1CCCc2ccccc21
MR,Modify the molecule CC[NH2+]C(c1ccc(F)cc1)c1c(Cl)cccc1Cl to have a higher MR value.,CC[NH2+]C(c1ccccc1)c1c(Cl)cccc1Cl
QED,Please optimize the molecule C#CCCCC(O)c1ccc(C)c(Cl)c1 to have a higher QED value.,C#CCCCC(O)c1ccc(CO)c(Cl)c1
AtomNum,"The molecule consists of 17 carbon atoms, and 3 oxygen atoms.",CC=C1OC2(C=CC3(C=C2)OCCO3)c2ccccc21
BondNum,"Please generate a molecule composed of 18 single bonds, 1 triple bond, and 3 rotatable bonds.",CCNC1(C#N)CCC([NH+]2CCN(C)CC2C)C1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 1 amine group.",COc1ccc(Cn2cnc(N)c3nc(C(C)(C)COc4ccc(C)cc4)nc2-3)cc1OC1CCCC1
AddComponent,Modify the molecule O=[N+]([O-])c1cc(C2CCC(c3ccc(Cl)c([N+](=O)[O-])c3)N2c2ccc(-c3ccc(N4CCOCC4)nc3)cc2)ccc1Cl by adding a benzene ring.,O=[N+]([O-])c1cc(C2CCC(c3cc([N+](=O)[O-])c(Cl)cc3-c3ccccc3)N2c2ccc(-c3ccc(N4CCOCC4)nc3)cc2)ccc1Cl
SubComponent,Substitute a thiol in the molecule Nc1nc(=O)c2cc(CNC(=S)S)ccc2[nH]1 with a aldehyde.,CC(=O)C(=S)NCc1ccc2[nH]c(N)nc(=O)c2c1
DelComponent,Remove a hydroxyl from the molecule CC(C)CC(C(O)OC12CC3CC(CC(O)(C3)C1)C2)C(C)(C)C.,CC(C)CC(C(O)OC12CC3CC(CC(C3)C1)C2)C(C)(C)C
LogP,Please optimize the molecule CC(C)(C)[NH2+]CCC1(Oc2ccc(Br)cc2)CCC1 to have a lower LogP value.,CC(C)(C)[NH2+]CCC1(Oc2ccc(Br)c(C(=O)O)c2)CCC1
MR,Optimize the molecule CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)CO)OC(=O)CCCCCCCCCCCCC to have a lower MR value.,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCCO)OC(=O)CCCCCCCCCCCCC
QED,Modify the molecule CCCCOc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc4c(cc3s2)OCCO4)cc1 to increase its QED value.,CCCCOC(=O)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCCO3
AtomNum,"There is a molecule consisting of 16 carbon atoms, and 2 oxygen atoms.",COC(=O)C1=C(C(C)c2ccccc2)CCCC1
BondNum,"Please generate a molecule composed of 11 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCNc1nc(CC)nc(NCCc2cnn(C)c2)c1C
FunctionalGroup,"There is a molecule with 1 hydroxyl group, 2 ketone groups, 1 ester group, and 1 amide group.",CC(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
AddComponent,Modify the molecule C#Cc1ccc(C(C(=O)NCCCCC)N(CC=C)C(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 by adding a benzene ring.,C#Cc1ccc(C(C(=O)NCCCCC)N(C(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(C=C)c2ccccc2)cc1
SubComponent,Modify the molecule halo by substituting a CCN(CC)C(=O)c1cccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccc(C)c(F)c4)ccc3C)CC2)c1 with a hydroxyl.,CCN(CC)C(=O)c1cccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)Nc4ccc(C)c(O)c4)ccc3C)CC2)c1
DelComponent,Remove a halo from the molecule O=C([O-])C1CCCc2sc(Nc3cccc(Cl)c3Br)nc21.,O=C([O-])C1CCCc2sc(Nc3ccccc3Br)nc21
LogP,Modify the molecule C[NH+](CC1CCNN1)C(C(=O)[O-])c1cccc(O)c1 to increase its LogP value.,C[NH+](CC1CCN1)C(C(=O)[O-])c1cccc(O)c1
MR,Optimize the molecule COC(C)(C)CCC(=O)c1cccc(F)c1F to have a higher MR value.,COC(C)(C)CCC(=O)c1cccc(F)c1
QED,Modify the molecule Cn1nnnc1SCCC(=O)N1CCC(=O)CC1 to decrease its QED value.,Cn1nnnc1SCC1CCC(=O)C1
AtomNum,"The molecule has 8 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",Nc1cccc(C(F)C(=O)[O-])c1
BondNum,"The molecule consists of 10 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",FC(Sc1nnc(-c2ccc(Cl)cc2)s1)=C(F)C(F)(F)F
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amine group.",CC1C[NH+](CC(O)COc2ccc(C(N)=S)cc2)CCO1
AddComponent,Add a benzene ring to the molecule CCCC(OC(=O)c1cccc(OC)c1OC)C(COC(=O)c1cccc(OC)c1OC)OC(=O)c1cccc(CO)c1OC.,CCCC(OC(=O)c1cccc(OC)c1OC)C(COC(=O)c1cccc(OC)c1OC)OC(=O)c1cc(-c2ccccc2)cc(CO)c1OC
SubComponent,Please substitute a halo in the molecule CC1(C)CCc2cc(C3(C)C(=O)N(c4ccc(CC(=O)[O-])cc4)c4ccc(Cl)cc43)ccc2O1 with a hydroxyl.,CC1(C)CCc2cc(C3(C)C(=O)N(c4ccc(CC(=O)[O-])cc4)c4ccc(O)cc43)ccc2O1
DelComponent,Modify the molecule benzene ring by removing a Cn1ccsc1=NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1.,Cn1ccsc1=NC(=O)C1CCN(C(N)=O)CC1
LogP,Modify the molecule CCCNc1cc(N(C)CC(=O)N(CC)CC)nc(N)n1 to have a higher LogP value.,CCCNc1cc(N(C)CC(=O)N(CC)CC)ncn1
MR,Optimize the molecule Cc1cc(OCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc(C)c1Cl to have a lower MR value.,Cc1cc(Oc2cccc(C(=O)N3CCOCC3)c2)cc(C)c1Cl
QED,Modify the molecule CSc1ccc(Oc2cccnc2C#N)cc1 to decrease its QED value.,CSc1ccc(Oc2cccnc2C#N)c(-c2ccccc2)c1
AtomNum,"The molecule has 7 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 3 fluorine atoms.",Cc1ccc(OC(F)(F)F)n1C
BondNum,"The molecule consists of 39 single bonds, 3 double bonds, and 6 rotatable bonds.",O=C(NC1CC1)C1C2=C(CCCC2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)C1C1CCC(CO)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 halo group, and 1 nitrile group.",N#Cc1c(-c2ccccc2)ccnc1F
AddComponent,Add a aldehyde to the molecule CCc1ccc(C(=O)NCC(C)(O)CSC)o1.,CCc1cc(CC=O)c(C(=O)NCC(C)(O)CSC)o1
SubComponent,Please substitute a CCc1cc(Oc2ccc(C(=O)OC)cc2N)ccc1Cl in the molecule halo with a nitro.,CCc1cc(Oc2ccc(C(=O)OC)cc2N)ccc1NO
DelComponent,Please remove a Cc1ccc(C([NH3+])C(=O)NN)cc1C from the molecule benzene ring.,CCC([NH3+])C(=O)NN
LogP,Please optimize the molecule CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl to have a lower LogP value.,O=C(NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(OCCO)c1)c1ccc([N+](=O)[O-])cc1
MR,Modify the molecule O=P(c1ccccc1)(c1ccccc1)c1cc(OCCOCCO)ccc1OCCO to increase its MR value.,O=P(c1ccccc1)(c1ccccc1)c1cc(OCCOCC(O)c2ccccc2)ccc1OCCO
QED,Please modify the molecule CC(=O)COc1cc(C)c([N+](=O)[O-])cc1F to decrease its QED value.,CC(=O)C(Oc1cc(C)c([N+](=O)[O-])cc1F)C(=O)O
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 5 oxygen atoms, and 2 chlorine atoms.",COC(=O)C=C(C(=O)OC)C(=O)c1c(Cl)cccc1Cl
BondNum,"Please generate a molecule consisting 11 single bonds, 9 rotatable bonds, and 16 aromatic bonds.",CCCCOc1nc(Nc2cc(C)[nH]n2)nc(SCc2cccs2)n1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 3 halo groups.",O=C(c1nc2cc(Cl)c(Cl)cc2[nH]1)N1CCN(c2ccc(F)cc2)CC1
AddComponent,Please add a hydroxyl to the molecule CC(C)(O)C(c1cc(F)cc(F)c1)C1C[NH+](CCCCCc2ccc(Cl)cc2)C1.,CC(C)(O)C(c1cc(F)cc(F)c1)C1(O)C[NH+](CCCCCc2ccc(Cl)cc2)C1
SubComponent,Substitute a CCCCOc1ccc(-c2ccc(CCC([NH3+])(CO)CO)cc2F)cc1 in the molecule hydroxyl with a nitro.,CCCCOc1ccc(-c2ccc(CCC([NH3+])(CO)CNO)cc2F)cc1
DelComponent,Modify the molecule nitrile by removing a CC1C(c2ccccc2)CCN1C(=O)c1cccc(C#N)c1.,CC1C(c2ccccc2)CCN1C(=O)c1ccccc1
LogP,Modify the molecule COc1cc(Cl)c(C)cc1N1CCCC(C)([NH3+])C1 to decrease its LogP value.,COc1cc(S)c(C)cc1N1CCCC(C)([NH3+])C1
MR,Please modify the molecule CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC(F)(F)C3)cc2)s1 to decrease its MR value.,CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC(F)C3)cc2)s1
QED,Modify the molecule C=CCC([NH3+])C(=O)Nc1ccc(C(N)=O)cc1 to have a lower QED value.,C=CC(C(=O)O)C([NH3+])C(=O)Nc1ccc(C(N)=O)cc1
AtomNum,"There is a molecule composed of 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",Cn1cccc1C(=O)C(Cl)c1ccccc1
BondNum,"The molecule consists of 9 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCc1cc(C(C)CC)cc(CC)c1N
FunctionalGroup,The molecule is composed of and 1 hydroxyl group.,CC(C)n1cc2c(c1)C([NH3+])(CO)CC2
AddComponent,Add a benzene ring to the molecule Fc1cnc(N2CC3CC(c4nnc(C5CC5)o4)OC3C2)nc1.,Fc1cnc(N2CC3CC(c4nnc(C5CC5)o4)OC3C2)nc1-c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1cc(C)n(-c2ccccc2CNC(=O)CC(O)c2ccccc2)n1 with a halo.,Cc1cc(C)n(-c2ccccc2CNC(=O)CC(I)c2ccccc2)n1
DelComponent,Please remove a hydroxyl from the molecule OC1CCc2nc(C3CCCCS3)nn2C1.,C1CCC(c2nc3n(n2)CCCC3)SC1
LogP,Optimize the molecule Cc1oc(-c2ccno2)cc1S(=O)(=O)NC1CCC(C)CC1 to have a higher LogP value.,Cc1oc(-c2ccno2)cc1S(=O)(=O)NC1CCC(C)(c2ccccc2)CC1
MR,Modify the molecule Cc1ccc(C(=O)[O-])cc1NCc1ccc(-c2ccc(Cl)cc2)o1 to increase its MR value.,Cc1ccc(C(=O)[O-])cc1NCc1ccc(-c2ccc(Cl)cc2C(=O)O)o1
QED,Modify the molecule O=C(C=Cc1ccccc1)Nc1cnn(CC2COc3ccccc3O2)c1 to decrease its QED value.,O=C(C=Cc1ccccc1)Nc1cnn(CC2COc3ccccc3O2)c1O
AtomNum,"There is a molecule consisting of 15 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCc1nc2cc(NC3CCCCC3)ccc2o1
BondNum,"The molecule is composed of 7 single bonds, 3 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",CC(=O)C(C(C)=O)n1cnc2c(nnn2-c2cccc(F)c2)c1=O
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,Cc1ccccc1C1(CCC[NH3+])COC1
AddComponent,Modify the molecule O=C1NC(c2ccc(Cl)cc2)Nc2scc(-c3ccccc3)c21 by adding a carboxyl.,O=C(O)c1sc2c(c1-c1ccccc1)C(=O)NC(c1ccc(Cl)cc1)N2
SubComponent,Modify the molecule CC(O)(CC[NH3+])c1ccccc1Oc1ccc(Cl)cc1 by substituting a halo with a carboxyl.,CC(O)(CC[NH3+])c1ccccc1Oc1ccc(C(=O)[OH])cc1
DelComponent,Modify the molecule CC(C)(C#N)c1ccc(NC2CCC2)cc1 by removing a nitrile.,CC(C)c1ccc(NC2CCC2)cc1
LogP,Modify the molecule COC(=O)c1cnc2ccccc2c1 to have a lower LogP value.,NCOC(=O)c1cnc2ccccc2c1
MR,Optimize the molecule O=C(NCCCCC(F)(F)F)C1Cc2nc[nH]c2C[NH2+]1 to have a higher MR value.,CC(=O)C(F)(F)CCCCNC(=O)C1Cc2nc[nH]c2C[NH2+]1
QED,Modify the molecule CCC(CC)n1[nH]c(C2CCCC2)c(N)c1=O to decrease its QED value.,CCC(CC)n1[nH]c(C2CCCC2)cc1=O
AtomNum,"There is a molecule composed of 10 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",CCC(O)(CC)CNC(=O)Nc1nnc(C(F)F)s1
BondNum,"The molecule consists of 14 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C(Cc1ccccc1)NNC(=O)OC(C)(C)C
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, and 5 halo groups.",O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1
AddComponent,Modify the molecule CCC=CCC(C)c1cc(Cl)c(OC)c(Cl)c1 by adding a thiol.,CCC=CCC(C)(S)c1cc(Cl)c(OC)c(Cl)c1
SubComponent,Modify the molecule nitrile by substituting a Cc1ccc(C)c(NC=C(C#N)C(=O)NC(C)c2ccccc2)c1 with a hydroxyl.,Cc1ccc(C)c(NC=C(O)C(=O)NC(C)c2ccccc2)c1
DelComponent,Remove a CCc1ccc(C(=O)COc2ccc(C)cc2)nc1 from the molecule benzene ring.,CCc1ccc(C(=O)COC)nc1
LogP,Please modify the molecule CC(C)Nc1[nH+]cc(Cc2ccccc2)n1C(C)C to decrease its LogP value.,CC(C)Nc1[nH+]cc(Cc2ccccc2O)n1C(C)C
MR,Modify the molecule CCOC(=O)N(c1ccc(C(=O)Nc2cc(-c3ccc(OCC)cc3)ccc2N)cc1)N(C)C to decrease its MR value.,CCOC(=O)N(c1ccc(C(=O)N(N)c2ccc(OCC)cc2)cc1)N(C)C
QED,Modify the molecule O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(F)c(F)c(Oc2ccc3ncc(N4CCCC4)nc3c2)c1F to have a lower QED value.,O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(F)c(F)c(Oc2ccc3ncc(N4CCCC4)nc3c2-c2ccccc2)c1F
AtomNum,"Please generate a molecule with 17 carbon atoms, and 2 nitrogen atoms.",[NH3+]CCCc1cccc2c1N(C1CCCCC1)CC2
BondNum,"The molecule has 13 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CNC(NCCCOc1cc(OC)cc(OC)c1)=[NH+]C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",COc1ccccc1-c1cc(C(=O)N2CCCC2)no1
AddComponent,Add a amine to the molecule CCC1(CC)CCN(C(=[NH2+])C(C)C)C1.,CCC1(CC)CCN(C(=[NH2+])C(C)CN)C1
SubComponent,Modify the molecule CN=C(CC(N)=[NH+]c1nccc(-c2ccc(N3CCCC3)c(C#N)c2)n1)C(N)=O by substituting a nitrile with a carboxyl.,CN=C(CC(N)=[NH+]c1nccc(-c2ccc(N3CCCC3)c(C(=O)[OH])c2)n1)C(N)=O
DelComponent,Modify the molecule O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1(c2ccc(F)cc2)CCOCC1 by removing a halo.,O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1(c2ccccc2)CCOCC1
LogP,Optimize the molecule O=C(COC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)Nc1cccc(F)c1 to have a lower LogP value.,O=C(COC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)Nc1cccc(O)c1
MR,Optimize the molecule CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3ccc(Br)cc3[nH]2)o1 to have a lower MR value.,CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3ccccc3[nH]2)o1
QED,Modify the molecule O=C([O-])C(CC(F)(F)F)c1cccc(F)c1 to decrease its QED value.,O=C([O-])C(F)CC(F)(F)F
AtomNum,"There is a molecule composed of 17 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",O=C(C[NH+]1CCCC(O)C1)NCc1nc(Cc2ccccc2)no1
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",Cc1cc(Br)ccc1NC(C(=O)[O-])C(C)C
FunctionalGroup,"The molecule has 2 amide groups, and 1 sulfone group.",O=C1c2cccc3cccc(c23)C(=O)N1CCOS(=O)(=O)c1ccc2c3c(cccc13)CC2
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(C(=O)[O-])cc1NC(=O)NCCS(C)=O.,Cc1ccc(C(=O)[O-])cc1NC(=O)NCC(O)S(C)=O
SubComponent,Substitute a Cc1ccccc1CC(=O)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 in the molecule hydroxyl with a halo.,Cc1ccccc1CC(=O)N1CCCCC2(CCl)CCN(CC2)C(=O)c2ccccc2OCC1
DelComponent,Remove a hydroxyl from the molecule CC(CO[Si](C)(C)C(C)(C)C)c1nc(-c2nc(CO)cs2)cs1.,Cc1csc(-c2csc(C(C)CO[Si](C)(C)C(C)(C)C)n2)n1
LogP,Please optimize the molecule c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4nc(-c5ccccc5)nc4-c4ccccc4)cc3)cc2)cc1 to have a lower LogP value.,c1ccc(-c2nc(-c3ccccc3)n(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1
MR,Modify the molecule CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(OCCOCCCc3ccc4c(c3)c(=O)c(C(=O)[O-])cn4OC)C(C)O2)C(C)C(OC2OC(C)CC([NH+](C)C)C2O)C(C)(O)CC(C)C[NH+](C)C(C)C(O)C1(C)O to have a lower MR value.,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(OCCOCCCc3ccc4c(c3)c(=O)c(C(=O)[O-])cn4OC)C(C)O2)C(C)C(OC2OC(C)CC([NH+](C)C)C2O)C(C)(O)CC(C)C[NH+](C)C(C)C(O)C1C
QED,Modify the molecule CC(C)Oc1cncc(-c2ccc(F)cc2C(=O)[O-])c1 to have a lower QED value.,CC(C)Oc1cncc(-c2ccccc2C(=O)[O-])c1
AtomNum,"Please generate a molecule consisting 9 carbon atoms, 1 nitrogen atom, and 1 tellurium atom.",CCCC[Te]C#CCN(C)C
BondNum,"The molecule consists of 27 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCC(C=C(C)C1CC(OC)CC(OC)C(C)(C)c2cccc(c2)CC(O)C(O)C(=O)O1)CO
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 hydroxyl group.",Oc1cccc(CN2CC[NH2+]C(C3CCCCC3)C2)c1
AddComponent,Please add a aldehyde to the molecule CCC1CC[NH+](C2CCCCC2C(C)C)CC(C)C[NH2+]1.,CCC1[NH2+]CC(C)C[NH+](C2CCCCC2C(C)C)CC1CC=O
SubComponent,Substitute a hydroxyl in the molecule OC1(c2ccccc2)CCC=C1c1ccccc1 with a carboxyl.,O=C([OH])C1(c2ccccc2)CCC=C1c1ccccc1
DelComponent,Modify the molecule amine by removing a C=CCC1(C)CC(C(=O)NCc2ccc(C(N)=[NH2+])cc2)n2c1c(Cl)nc(NC1CCC1)c2=O.,C=CCC1(C)CC(C(=O)NCc2ccc(CN)cc2)n2c1c(Cl)nc(NC1CCC1)c2=O
LogP,Modify the molecule C[NH2+]Cc1ccc(F)cc1-c1ccc(F)c(C)c1 to decrease its LogP value.,C[NH2+]Cc1ccc(F)cc1-c1cccc(C)c1
MR,Modify the molecule CC1CCC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1 to increase its MR value.,O=C(O)CC1CCC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1
QED,Please optimize the molecule CCOc1ccc(C(=O)C2CC(O)CC(C(=O)NCc3ccc(-c4cnco4)cc3)C2C)cc1 to have a lower QED value.,CCOc1ccc(C(=O)C2CC(O)CC(C(=O)NCc3ccc(-c4cnco4)c(N)c3)C2C)cc1
AtomNum,"The molecule is composed of 32 carbon atoms, 4 oxygen atoms, and 8 nitrogen atoms.",CCCCCCC(C(=O)N1CC(Oc2cccnc2)CC1C(=O)[O-])n1cnc2cc(-c3ccccc3-c3nn[n-]n3)ccc21
BondNum,"Please generate a molecule consisting 7 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",Nc1cc(Nc2ccc(F)cc2Cl)cc(S(N)(=O)=O)c1
FunctionalGroup,There is a molecule composed of and 1 ester group.,Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)OCc3cc4ccccc4o3)c12
AddComponent,Modify the molecule Cc1noc(C)c1CC(=O)NCC1CC(O)C[NH+]1Cc1ccccc1 by adding a amine.,Cc1noc(C)c1CC(=O)NCC1C(N)C(O)C[NH+]1Cc1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule CC(O)c1cc(Br)n[nH]1 with a aldehyde.,CC(=O)C(C)c1cc(Br)n[nH]1
DelComponent,Please remove a benzene ring from the molecule COC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C)c2)cc1.,CCNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1
LogP,Optimize the molecule COc1cc(COC(=O)c2ccc(N)cn2)ccc1C#N to have a higher LogP value.,COc1cccc(COC(=O)c2ccc(N)cn2)c1
MR,Optimize the molecule CC1CCc2c(sc(NCC(O)COc3cccc(C=O)c3)c2C(=O)NC2CCS(=O)(=O)C2)C1 to have a lower MR value.,CC1CCc2c(sc(CC(O)COc3cccc(C=O)c3)c2C(=O)NC2CCS(=O)(=O)C2)C1
QED,Please optimize the molecule COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)c1 to have a lower QED value.,COc1cc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)ccc1-c1ccccc1
AtomNum,"There is a molecule with 17 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CCSCc1cc(=O)nc(SCC(=O)Nc2cccc(C(=O)OC)c2)[nH]1
BondNum,"Please generate a molecule composed of 19 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",O=C(NCc1nc(-c2cccc(F)c2)no1)N1CCOCC2(CCOCC2)C1
FunctionalGroup,"There is a molecule with 2 hydroxyl groups, and 1 nitrile group.",N#Cc1ccc(N(CCO)CCCO)cn1
AddComponent,Please add a hydroxyl to the molecule CCOC(=O)C1CCC(OCC[NH+]2CCN(c3nc(N)nc4c3CCc3cc(OCc5ccc(Cl)cc5)ccc3-4)CC2)C1.,CCOC(=O)C1CCC(OCC[NH+]2CCN(c3nc(N)nc4c3C(O)Cc3cc(OCc5ccc(Cl)cc5)ccc3-4)CC2)C1
SubComponent,Substitute a C[NH2+]C1CCN(C(=O)c2ccc(O)cc2O)C1 in the molecule hydroxyl with a nitrile.,C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2O)C1
DelComponent,Remove a CC(O[Si](C)(C)C(C)(C)C)c1c(CO)nc2ccccn12 from the molecule hydroxyl.,Cc1nc2ccccn2c1C(C)O[Si](C)(C)C(C)(C)C
LogP,Modify the molecule COc1ccc(Br)cc1Nc1nc(Cl)ncc1Br to have a lower LogP value.,COc1ccc(Br)cc1Nc1ccnc(Cl)n1
MR,Modify the molecule COC(OC)C(=O)Cc1ccc(Cl)s1 to have a lower MR value.,COC(OC)C(=O)Cc1cccs1
QED,Please optimize the molecule O=C(NC(c1nccs1)C1CCC(CNC(=O)C2CC23CCC3)CC1)C1CCC1 to have a lower QED value.,O=C(NC(c1nccs1)C1CCC(CNC(=O)C2CC23CCC3)CC1)C1CCC1c1ccccc1
AtomNum,"The molecule is composed of 17 carbon atoms, 4 nitrogen atoms, and 4 fluorine atoms.",CC[NH+]1CCC(CNC(NCc2ccc(F)cc2C(F)(F)F)=[NH+]C)C1
BondNum,"The molecule has 11 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCC(=O)C(C(=O)OC)C(C[N+](=O)[O-])c1ccccc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 halo group.",CC(CNC(=O)NCc1nnc2n1CCC2)Oc1ccccc1Cl
AddComponent,Modify the molecule CCOc1ccc(NCCCSCC)cc1CO by adding a hydroxyl.,CCOc1cc(O)c(NCCCSCC)cc1CO
SubComponent,Modify the molecule halo by substituting a O=C(Oc1c(F)c(F)c(F)c(F)c1F)OC(Cl)C(Cl)(Cl)Cl with a thiol.,O=C(Oc1c(F)c(F)c(F)c(F)c1S)OC(Cl)C(Cl)(Cl)Cl
DelComponent,Please remove a benzene ring from the molecule CC1CCC(S(=O)(=O)c2ccccc2)CC1.,CC1CCC([SH](=O)=O)CC1
LogP,Modify the molecule CCCCCCCCCCC(CC)C1OCC(O)C(O)C1O to increase its LogP value.,CCCCCCCCCCC(CC)C1CC(O)C(O)CO1
MR,Modify the molecule COC(=O)C(OC(C)(C)C)c1c(C)c2c3c(cc(C)n3CCN2C#N)c1-c1ccc(Cl)cc1 to increase its MR value.,COC(=O)C(OC(C)(C)C)c1c(C)c2c3c(cc(C)n3CCN2C#N)c1-c1ccc(NO)cc1
QED,Optimize the molecule N#Cc1cccc(F)c1-c1ccc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(O)c1 to have a lower QED value.,N#Cc1cccc(C#N)c1-c1ccc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(O)c1
AtomNum,"Please generate a molecule consisting 28 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(C)c(N(CC(=O)N(CCc2ccccc2)C(C)C(=O)NC2CCCC2)S(=O)(=O)N(C)C)c1
BondNum,"The molecule is composed of 21 single bonds, 2 double bonds, 8 rotatable bonds, and 23 aromatic bonds.",COc1cc(C=Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCC(C(C)(C)C)C3)ccc1OCc1ccccc1F
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amide groups, 1 halo group, and 1 sulfone group.",CCC(C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC
AddComponent,Modify the molecule CC1CCN(c2ccc(NC(=O)C3CCN(C(=O)C=Cc4ccccc4)CC3)cc2)C1 by adding a carboxyl.,O=C(O)CC1CCN(c2ccc(NC(=O)C3CCN(C(=O)C=Cc4ccccc4)CC3)cc2)C1
SubComponent,Modify the molecule Cc1cc(F)cc(C=C2c3cccc(O)c3C([O-])=C3C(=O)C4(O)C([O-])=C(C(N)=O)C(=O)CC4C(O)C23)c1 by substituting a hydroxyl with a halo.,Cc1cc(F)cc(C=C2c3cccc(Cl)c3C([O-])=C3C(=O)C4(O)C([O-])=C(C(N)=O)C(=O)CC4C(O)C23)c1
DelComponent,Please remove a amide from the molecule CCC(=O)N(CCCO)C1CCOC(C)(C)C1.,CC1(CCCO)CCOC(C)(C)C1
LogP,Modify the molecule CC1Sc2cc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)ccc2NC1=O to have a lower LogP value.,CC1Sc2cc(S(=O)(=O)CCC(=O)NCF)ccc2NC1=O
MR,Optimize the molecule Nc1oncc1-c1cccc(C2(O)CC2)c1 to have a higher MR value.,Nc1oncc1-c1cccc(C2(C(=O)[OH])CC2)c1
QED,Please optimize the molecule COC(=O)c1nc(-c2ccn[nH]2)c(Br)[nH]1 to have a lower QED value.,COC(=O)c1nc(-c2ccn[nH]2)c(C#N)[nH]1
AtomNum,"There is a molecule composed of 7 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 3 fluorine atoms.",O=C(CC(=O)C(F)(F)F)c1cscn1
BondNum,"The molecule contains 20 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(N(C)C2CCN(C(=O)NC3CC4CC4C3)CC2)nn1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 1 hydroxyl group, and 1 amide group.",CCOc1cc(C2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)ccc1OC
AddComponent,Modify the molecule C[NH+]1CCN(c2cccc(C(=O)N3CCCCCC3)n2)CC1 by adding a carboxyl.,C[NH+]1CCN(c2cccc(C(=O)N3CCCCCC3C(=O)O)n2)CC1
SubComponent,Please substitute a CC1=CC(CO)CC=CC1=N in the molecule hydroxyl with a nitro.,CC1=CC(CNO)CC=CC1=N
DelComponent,Remove a amide from the molecule CCN1C(=O)C2C(c3ccccc3F)[NH2+]C(C)(C(=O)OC)C2C1=O.,CCC1C(=O)C(c2ccccc2F)[NH2+]C1(C)C(=O)OC
LogP,Modify the molecule O=S(=O)([O-])c1cc2c(s1)-c1c(c(C=CCCCC=Cc3nn(-c4ccc(Cl)cc4Cl)c4c3COc3cc(S(=O)(=O)[O-])sc3-4)nn1-c1ccc(Cl)cc1Cl)CO2 to have a higher LogP value.,O=S(=O)([O-])c1cc2c(s1)-c1c(c(C=CCCCC=Cc3nn(-c4cc(-c5ccccc5)c(Cl)cc4Cl)c4c3COc3cc(S(=O)(=O)[O-])sc3-4)nn1-c1ccc(Cl)cc1Cl)CO2
MR,Modify the molecule CC(C)(C)n1nc(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1-c1ccccc1 to increase its MR value.,CC(C)(C)n1nc(CCC[NH+]2CCN(c3ccc(Cl)cc3C(=O)O)CC2)cc1-c1ccccc1
QED,Please modify the molecule CC(C)C[NH+]1CCOC(CNC(=O)C[NH+](C)CC2CCCCO2)C1 to increase its QED value.,CC(C)C[NH+]1CCOC(C[NH+](C)CC2CCCCO2)C1
AtomNum,"The molecule contains 18 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COC(=O)c1ccc(CNC(=S)Nc2cccc(C)c2C)cc1
BondNum,"Please generate a molecule composed of 11 single bonds, 3 double bonds, 1 triple bond, 6 rotatable bonds, and 18 aromatic bonds.",COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cccc(I)c3)cc2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 1 amine group, and 1 sulfone group.",CC(=O)Nc1nc(=O)c2nc(CNc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)cnc2[nH]1
AddComponent,Add a carboxyl to the molecule Cc1ccc(OCC(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)cc1.,Cc1ccc(OCC(=O)NC2CC[NH+](Cc3cc(C)ccc3C(=O)O)CC2)cc1
SubComponent,Substitute a halo in the molecule O=S(=O)([O-])CC(F)(F)OC(F)(F)C(F)(F)C(F)(F)F with a hydroxyl.,O=S(=O)([O-])CC(O)(F)OC(F)(F)C(F)(F)C(F)(F)F
DelComponent,Modify the molecule halo by removing a CCN(c1ccc(F)cc1[N+](=O)[O-])C1CC[NH2+]C1.,CCN(c1ccccc1[N+](=O)[O-])C1CC[NH2+]C1
LogP,Modify the molecule CCn1cc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(C)nc21 to have a lower LogP value.,CCn1cc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CC=O)c(C)nc21
MR,Modify the molecule Cc1cccc(NC(=S)Nc2ccccc2Cl)n1 to decrease its MR value.,Cc1cccc(NC(=S)c2ccccc2Cl)n1
QED,Modify the molecule C[NH2+]C(Cc1ccc(C)c(C)c1)C1CCCOC1 to have a lower QED value.,CCCC([NH2+]C)C1CCCOC1
AtomNum,"The molecule contains 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC(C)CCNC(=O)C1CCN(c2ccccc2)CC1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, and 6 rotatable bonds.",O=CCC(CCBr)CCBr
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amine group.",c1ccc(-c2ccc(NCCC[NH+]3CCOCC3)nn2)cc1
AddComponent,Add a hydroxyl to the molecule O=S1(=O)CCCC1CNc1nc(C2CCCC2)ns1.,O=S1(=O)CCCC1CNc1nc(C2CCC(O)C2)ns1
SubComponent,Modify the molecule Cc1c(Cl)ncnc1N1CCCC1(C)C by substituting a halo with a thiol.,Cc1c(S)ncnc1N1CCCC1(C)C
DelComponent,Modify the molecule benzene ring by removing a CC(C)(C)OC(=O)CN1C(=O)SC(=Cc2ccccc2OCc2ccccc2Cl)C1=O.,CC(C)(C)OC(=O)CN1C(=O)SC(=Cc2ccccc2OCCl)C1=O
LogP,Please modify the molecule COc1cccc(C2(NS(=O)[O-])CCC([NH2+]Cc3ccc(-c4ccccc4)cc3)CC2)c1 to decrease its LogP value.,COc1cccc(C2(NS(=O)[O-])CCC([NH2+]Cc3ccc(-c4ccccc4)cc3C(=O)O)CC2)c1
MR,Please modify the molecule CC[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 to decrease its MR value.,CC[NH2+]CNC(=O)OC(C)(C)C
QED,Optimize the molecule CC1(C)N=C(c2ncccc2Cl)c2cc(Br)ccc2O1 to have a higher QED value.,CC1(CN)N=C(c2ncccc2Cl)c2cc(Br)ccc2O1
AtomNum,"The molecule is composed of 11 carbon atoms, 7 nitrogen atoms, and 3 fluorine atoms.",Nc1nc(N)c(N=Nc2ccc(C(F)(F)F)cc2)c(N)n1
BondNum,"Please generate a molecule consisting 23 single bonds, 2 double bonds, 11 rotatable bonds, and 23 aromatic bonds.",CCCCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2C1c1ccc(OCc2ccc(C(C)(C)C)cc2)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amine groups, and 1 halo group.",Cc1cc(Oc2nc(NN)nc(OC(C)C)n2)ccc1F
AddComponent,Modify the molecule CC(C)(C)S(=O)NC1c2ccc(Cl)cc2-c2cc(Cl)ccc2C1NS(=O)C(C)(C)C by adding a benzene ring.,CC(C)(C)S(=O)NC1c2ccc(Cl)cc2-c2cc(Cl)cc(-c3ccccc3)c2C1NS(=O)C(C)(C)C
SubComponent,Substitute a CCOC(C)(C)C(O)Cc1ccccc1F in the molecule halo with a aldehyde.,CC(=O)c1ccccc1CC(O)C(C)(C)OCC
DelComponent,Please remove a O=C([O-])CSc1nc(NCCc2ccc(Cl)cc2)nc(SCC(=O)[O-])n1 from the molecule amine.,O=C([O-])CSc1nc(CCc2ccc(Cl)cc2)nc(SCC(=O)[O-])n1
LogP,Modify the molecule CCC[NH+](CCO)CC(O)c1ccccc1Cl to have a lower LogP value.,CCC[NH+](CCO)CC(O)c1ccccc1
MR,Optimize the molecule CN(CCC[NH2+]C1CC1)S(=O)(=O)NCCOCC(F)F to have a higher MR value.,CN(CCC[NH2+]C1CC1)S(=O)(=O)NCCOCC(F)C(=O)[OH]
QED,Modify the molecule N#CC(=C[NH2+]Cc1ccccc1Cl)C(=O)N1CCN(CC[NH3+])CC1 to decrease its QED value.,CC(=O)c1ccccc1C[NH2+]C=C(C#N)C(=O)N1CCN(CC[NH3+])CC1
AtomNum,"There is a molecule composed of 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CCCc1nc(-c2ccc(Br)s2)ncc1C(=O)OCC
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 1 rotatable bond, and 6 aromatic bonds.",Nc1cccc(C2=[NH+]CCN2C(=O)C(F)(F)F)c1
FunctionalGroup,"Please generate a molecule consisting 4 benzene ring groups, 1 ketone group, 3 amide groups, 1 thioether group, and 1 sulfide group.",COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(SC(C)C(=O)Nc3ccc(C(C)=O)cc3)c2)cc1OC
AddComponent,Please add a carboxyl to the molecule CCONC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1CC.,CCONC(=O)c1c(C(=O)O)nc2c(-c3ccccc3)c(C)nn2c1CC
SubComponent,Modify the molecule Cc1c(Cl)cccc1-n1nncc1CC[NH3+] by substituting a halo with a hydroxyl.,Cc1c(O)cccc1-n1nncc1CC[NH3+]
DelComponent,Remove a benzene ring from the molecule C=C(C)CSCCOc1ccc(N)cc1.,C=C(C)CSCCON
LogP,Modify the molecule O=C(C(SS(=O)(=O)c1ccccc1)=C1NCC[NH2+]1)c1ccc(Cl)cc1 to decrease its LogP value.,O=C(C(SS(=O)(=O)c1ccccc1)=C1NCC[NH2+]1)c1ccccc1
MR,Optimize the molecule C=CCn1c(SC(C)C(=O)NC2CCCC2)nc2ccsc2c1=O to have a lower MR value.,C=CCn1c([SH](C)C2CCCC2)nc2ccsc2c1=O
QED,Please modify the molecule COCC(O)Cn1cc(Br)c([N+](=O)[O-])n1 to decrease its QED value.,COCCCn1cc(Br)c([N+](=O)[O-])n1
AtomNum,"The molecule is composed of 9 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",Cc1coc(NC(=O)CCCC(=O)[O-])n1
BondNum,"There is a molecule composed of 15 single bonds, 2 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(-c2ccccc2)nc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, and 3 amide groups.",CCOc1ccc(N2CC=CC3(C)OC45C=CCN(c6ccc7ccccc7c6)C(=O)C4N(CCO)C(=O)C5C3C2=O)cc1
AddComponent,Add a benzene ring to the molecule COC(O)c1c[n+]2c([nH]1)C(O)C(O)C(O)C2CO.,COC(O)c1c[n+]2c([nH]1)C(O)C(O)C(O)C2C(O)c1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(NC1(C(F)(F)F)CC1)c1cccc(Cl)n1 with a thiol.,O=C(NC1(C(F)(F)S)CC1)c1cccc(Cl)n1
DelComponent,Modify the molecule benzene ring by removing a O=C(Nc1ncc(C2CCC2)s1)Nc1ccc(F)cc1F.,O=C(Nc1ncc(C2CCC2)s1)N(F)F
LogP,Please optimize the molecule Cc1cccc(C[NH+]2CCCC(C(=O)Nc3ccccc3C(=O)N3CCCC3)C2)c1 to have a lower LogP value.,Cc1cccc(C[NH+]2CCCC(C(=O)NC(=O)N3CCCC3)C2)c1
MR,Modify the molecule CC(c1cc(C#N)cc2ccccc12)N(C)C(=O)CC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C(C)C1 to increase its MR value.,CC(c1cc(NO)cc2ccccc12)N(C)C(=O)CC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C(C)C1
QED,Modify the molecule N#Cc1c(N)nc2c(N=Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)[nH]n2c1-c1ccccc1 to have a higher QED value.,Nc1cc(-c2ccccc2)n2[nH]c(=O)c(N=Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2n1
AtomNum,"There is a molecule composed of 8 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, 1 chlorine atom, and 1 bromine atom.",Nc1c(F)c(S(=O)(=O)NCc2nn[n-]n2)cc(Cl)c1Br
BondNum,"There is a molecule consisting of 8 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1c(Cl)ncnc1NC(C)(C)C(N)=O
FunctionalGroup,"There is a molecule with 1 ketone group, and 1 amide group.",CCNC(=O)C[NH+](C)CCCC(C)=O
AddComponent,Modify the molecule CC[NH+](C(C)CC(=O)[O-])C(C)c1ccc(Br)cc1Cl by adding a amine.,CC(N)[NH+](C(C)CC(=O)[O-])C(C)c1ccc(Br)cc1Cl
SubComponent,Substitute a halo in the molecule COc1cc(CC(CCCl)C(C)=O)cc([N+](=O)[O-])c1 with a hydroxyl.,COc1cc(CC(CCO)C(C)=O)cc([N+](=O)[O-])c1
DelComponent,Modify the molecule NC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12 by removing a amide.,Sc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12
LogP,Modify the molecule [NH3+]C(Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 to have a higher LogP value.,[NH3+]C(Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)c(F)c1
MR,Please modify the molecule CC(C)NC(=O)CCCCNC(=O)CCN1C(=O)C=CC1=O to decrease its MR value.,CC(C)NC(=O)CCCCNC(=O)CCCC=O
QED,Please modify the molecule C#CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1OC to increase its QED value.,C#CCOc1c(S)cc(C=C2C(=O)NC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1OC
AtomNum,"The molecule contains 11 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",N#CC1=C(O)CCc2ccccc21
BondNum,"There is a molecule composed of 15 single bonds, 1 double bond, 12 rotatable bonds, and 17 aromatic bonds.",CCCCCc1nc(Cc2ccc(-c3cnccc3C(=O)[O-])cc2)n(CCCCC)n1
FunctionalGroup,There is a molecule composed of and 1 sulfide group.,CC([NH3+])c1csc(N2CCOCC2)n1
AddComponent,Add a carboxyl to the molecule CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCC1OC[NH+](C)C1C)OC(C)=O.,CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCC1OC[NH+](C)C1CC(=O)O)OC(C)=O
SubComponent,Modify the molecule halo by substituting a CC(F)(F)c1ccc(Oc2ccc(C34CCC(CC3)N3CCS[NH+]=C34)cc2)cc1 with a thiol.,CC(F)(S)c1ccc(Oc2ccc(C34CCC(CC3)N3CCS[NH+]=C34)cc2)cc1
DelComponent,Please remove a COc1ccc2cc(C(=O)OCC3C[NH+](Cc4ccccc4)CCO3)[nH]c2c1 from the molecule benzene ring.,COc1ccc2cc(C(=O)OCC3C[NH+](C)CCO3)[nH]c2c1
LogP,Modify the molecule O=C(NC1CCCCC1)N1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 to decrease its LogP value.,O=C(NC1CCCCC1)N1CC[NH+](Cc2nnc(C3(O)CC3)n2C2CC2)CC1
MR,Please modify the molecule CCC(C)NC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC(C)C)c3)CC2)c1 to increase its MR value.,CCC(C)NC(=O)c1ccc(S)c(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC(C)C)c3)CC2)c1
QED,Optimize the molecule Cc1ccccc1CNC(=O)COC(=O)c1ccccc1Br to have a lower QED value.,Cc1ccccc1COC(=O)c1ccccc1Br
AtomNum,"The molecule is composed of 22 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3nscc32)cc1
BondNum,"Please generate a molecule composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",CC(C)(Cc1ccc(F)cc1)C(=O)c1cnc2ccccc2n1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 halo group.",Cc1cc(C)cc(C([NH3+])c2c(Br)nnn2C)c1
AddComponent,Add a benzene ring to the molecule CC(C)C(C(=O)[O-])N1CCN(Cc2csc(COS(C)(=O)=O)n2)C1=O.,CC(C)C(C(=O)[O-])(c1ccccc1)N1CCN(Cc2csc(COS(C)(=O)=O)n2)C1=O
SubComponent,Please substitute a COC(=O)C1CN(C(=O)c2cc(Cl)cn2C)CCO1 in the molecule halo with a hydroxyl.,COC(=O)C1CN(C(=O)c2cc(O)cn2C)CCO1
DelComponent,Modify the molecule O=C(COc1ccccc1F)NN=Cc1cccnc1 by removing a benzene ring.,O=C(COF)NN=Cc1cccnc1
LogP,Optimize the molecule CCC(C)C(C)NC(=O)Nc1cccc(C[NH3+])c1 to have a lower LogP value.,CCC(C)C(C)NC(=O)NC[NH3+]
MR,Modify the molecule N#Cc1ccc(F)cc1Cn1cc2c(c1)C(=O)CCC2 to decrease its MR value.,O=C1CCCc2cn(Cc3cccc(F)c3)cc21
QED,Please modify the molecule CC(O)Cc1ccc(C[NH3+])c(CC(C)O)c1C[NH+](CC(C)O)CC(C)O to increase its QED value.,CCCc1c(C[NH3+])ccc(CC(C)O)c1C[NH+](CC(C)O)CC(C)O
AtomNum,"The molecule contains 26 carbon atoms, 7 nitrogen atoms, and 1 fluorine atom.",CN(C)c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3n2)c1
BondNum,"Please generate a molecule with 6 single bonds, 1 double bond, 3 rotatable bonds, and 22 aromatic bonds.",Cc1[nH]c(-c2ccccc2)nc1-c1cc(C(=O)[O-])c2cc(Br)ccc2n1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CCN(CC)c1ccc(NC(=O)CO)c(C)c1
AddComponent,Please add a benzene ring to the molecule CC(OCC1(c2ccccc2)CCC([NH3+])C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.,CC(OCC1(c2ccccc2)CCC([NH3+])C(=O)N1)c1cc(C(F)(F)F)c(-c2ccccc2)c(C(F)(F)F)c1
SubComponent,Please substitute a Cc1cc(C)c(C#N)c(SC2=C(Nc3ccc(NC(=O)C(C)C)cc3)C(=O)N(c3ccccc3)C2=O)n1 in the molecule nitrile with a halo.,Cc1cc(C)c(Cl)c(SC2=C(Nc3ccc(NC(=O)C(C)C)cc3)C(=O)N(c3ccccc3)C2=O)n1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(C2CCC[NH+]2CC(=O)Nc2ccc(C)c(C)c2)c(OC)c1.,CCNC(=O)C[NH+]1CCCC1c1ccc(OC)cc1OC
LogP,Modify the molecule Cc1nn(C)c(C)c1CCNC(=O)c1cccc(Cl)c1 to have a lower LogP value.,Cc1nn(C)c(C)c1CCNC(=O)c1cccc(C(=O)[OH])c1
MR,Please optimize the molecule CC(O)C1NC(=O)c2ccc3ccccc3c2NC1=O to have a lower MR value.,CCC1NC(=O)c2ccc3ccccc3c2NC1=O
QED,Optimize the molecule COc1c(Cl)cc(C2=C(O)C(=O)N(c3cccc4ccccc34)C2c2ccc(OC(C)=O)cc2)cc1Cl to have a higher QED value.,COc1c(Cl)cc(C2=C(O)C(=O)N(c3cccc4ccccc34)C2c2ccc(OC(C)=O)cc2)cc1C(=O)[OH]
AtomNum,"The molecule has 22 carbon atoms, and 2 oxygen atoms.",CCC=CCCCCCCCCc1ccc(OCC2(C)CO2)cc1
BondNum,"There is a molecule consisting of 13 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC(C)CN=C(N[NH3+])N1CCN(C)c2ccccc21
FunctionalGroup,"The molecule has 1 benzene ring group, and 3 hydroxyl groups.",[NH3+]C1(c2nnc(-c3cc(O)c(O)c(O)c3)o2)CC1
AddComponent,Modify the molecule Cc1ccc(N(c2ccc(-c3c4ccccc4c(N(c4ccc(C)cc4)C4C=Cc5cc(Br)ccc5C4)c4ccccc34)cc2)c2ccc3cc(C)ccc3c2)cc1 by adding a benzene ring.,Cc1ccc(N(c2ccc(-c3c4ccccc4c(N(c4ccc(C)cc4)C4C=Cc5cc(Br)ccc5C4)c4ccccc34)cc2)c2cc3ccc(C)cc3cc2-c2ccccc2)cc1
SubComponent,Substitute a halo in the molecule COc1ccc(Br)cc1C1OC(c2ccc(F)cc2)=NN1C(C)=O with a hydroxyl.,COc1ccc(O)cc1C1OC(c2ccc(F)cc2)=NN1C(C)=O
DelComponent,Modify the molecule CCC(C)CCCCCCCCCCCC(O)C(O)CC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCO by removing a hydroxyl.,CCC(C)CCCCCCCCCCCC(O)CCC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCO
LogP,Modify the molecule CC(C)CC1C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccccc1 to have a lower LogP value.,CC(C)CC1C(=O)N(CCCn2ccnc2)C(=O)N1C
MR,Please optimize the molecule c1ccc(Nc2nnc3c4ccccc4c4ccccc4c3n2)cc1 to have a higher MR value.,O=C(O)c1ccc2c(c1)c1ccccc1c1nnc(Nc3ccccc3)nc21
QED,Please modify the molecule CCCCOC(=O)CN(c1ccc2c(ccn2-c2cnc(SC)cn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 to increase its QED value.,CCCCOC(=O)CN(c1ccc2c(ccn2-c2cnc(SC)cn2)c1)S(=O)(=O)c1cc(Cl)cc(C(=O)[OH])c1
AtomNum,"The molecule has 22 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCN(CCCNC(=[NH+]C)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
BondNum,"The molecule is composed of 4 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",Cc1[nH]ncc1-c1c[nH+]c(C(=O)[O-])[nH]1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 1 amide group.",CC(C)NC(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1
AddComponent,Please add a benzene ring to the molecule CSC(=O)NN=CC(C)(C)C.,CSC(=O)NN=CC(C)(C)Cc1ccccc1
SubComponent,Substitute a halo in the molecule CCN(CC)CC[NH2+]CCI with a nitro.,CCN(CC)CC[NH2+]CCNO
DelComponent,Remove a halo from the molecule CCOC(=O)C1Cc2cccc(Br)c2N1.,CCOC(=O)C1Cc2ccccc2N1
LogP,Optimize the molecule COc1cc2c(cc1OC)C[NH+](CCCOc1cccc(-c3cccc(OCCC[NH+]4CCC(O)C4)c3C)c1C)CC2 to have a higher LogP value.,CC(=O)C1CC[NH+](CCCOc2cccc(-c3cccc(OCCC[NH+]4CCc5cc(OC)c(OC)cc5C4)c3C)c2C)C1
MR,Optimize the molecule CC(CS(C)(=O)=O)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 to have a lower MR value.,CC(CS(C)(=O)=O)N(C)C(=O)Cc1ccc(O)c(Cl)c1
QED,Modify the molecule C[NH2+]CC1CC[NH+](Cc2cc(F)cc([N+](=O)[O-])c2)CC1 to have a lower QED value.,C[NH2+]CC1CC[NH+](Cc2cc(F)cc([N+](=O)[O-])c2C(=O)O)CC1
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 4 oxygen atoms, and 7 nitrogen atoms.",CCC(C)C(NC(C)=O)C(=O)NC1CCc2ccn3c2C1C(=O)CC(C(=O)NCc1cn[nH]n1)C3
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",O=C(NC1(c2ccccc2)CC1)c1cn(CC2CCCO2)nn1
FunctionalGroup,The molecule has and 1 halo group.,CC(C)([NH3+])Cc1cc(F)c2c(c1)C([NH3+])CC1(CCC1)O2
AddComponent,Please add a amine to the molecule CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCCCCCC(=O)[O-])CCc1ccccc1.,CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC1CC(C2)C3N)C(=O)N(CCCCCCC(=O)[O-])CCc1ccccc1
SubComponent,Please substitute a CCN1c2cc(C(NCC(C)O)C(F)(F)F)ccc2NC1C(O)(c1ccccc1)c1ccccc1 in the molecule halo with a nitro.,CCN1c2cc(C(NCC(C)O)C(F)(F)NO)ccc2NC1C(O)(c1ccccc1)c1ccccc1
DelComponent,Remove a CN(C)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(N)=S)c1 from the molecule amine.,CN(C)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC=S)c1
LogP,Modify the molecule COC(=O)C1C(CO)C2Cn3c(ccc(-c4cccc(F)c4)c3=O)C2[NH+]1Cc1ccncc1 to increase its LogP value.,COC(=O)C1C(C)C2Cn3c(ccc(-c4cccc(F)c4)c3=O)C2[NH+]1Cc1ccncc1
MR,Please optimize the molecule CN(c1ccccc1S(C)(=O)=O)C1CCC[NH2+]C1 to have a lower MR value.,CN(C1CCC[NH2+]C1)S(C)(=O)=O
QED,Please optimize the molecule N#Cc1c(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)oc(-c2ccccc2)c1-c1ccccc1 to have a lower QED value.,ONc1c(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)oc(-c2ccccc2)c1-c1ccccc1
AtomNum,"The molecule is composed of 15 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCNc1ccc(C(=O)NCC2CCCCO2)cc1
BondNum,"Please generate a molecule with 7 single bonds, 1 double bond, 4 rotatable bonds, and 15 aromatic bonds.",CCCn1ccc(NC(=O)c2c[nH]c3cc(C)cnc23)n1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 3 halo groups, and 1 sulfide group.",CC(C)n1c(-c2ccc(F)cc2)csc1=Nc1ccc(F)cc1F
AddComponent,Modify the molecule CCC(O)C(C)[NH+]1CCCCCC1C by adding a nitrile.,CCC(O)C(C)[NH+]1CCCCCC1(C)C#N
SubComponent,Substitute a halo in the molecule Cc1c(C(=O)N2CCCC2c2nc3ccccc3[nH]2)cnn1-c1cccc(Cl)c1 with a aldehyde.,CC(=O)c1cccc(-n2ncc(C(=O)N3CCCC3c3nc4ccccc4[nH]3)c2C)c1
DelComponent,Modify the molecule O=C(CSc1ccccc1O)Nc1cc(Cl)c(Cl)cc1Cl by removing a benzene ring.,O=C(CSO)Nc1cc(Cl)c(Cl)cc1Cl
LogP,Please optimize the molecule CC(C(=O)N(C)Cc1ccccc1)[NH+](C)CC1CCCC1O to have a lower LogP value.,CC(C(=O)N(C)C)[NH+](C)CC1CCCC1O
MR,Please modify the molecule Cc1ccc(NC(=O)C[NH+]2CCN(C(=O)c3oc4ccc(Br)cc4c3C)CC2)cc1 to increase its MR value.,Cc1ccc(NC(=O)C[NH+]2CCN(C(=O)c3oc4ccc(Br)cc4c3C)CC2)cc1O
QED,Optimize the molecule O=C(c1ccc(F)c(F)c1F)N1CCCN(C(=O)C2CCCO2)CC1 to have a higher QED value.,O=C(c1ccc(S)c(F)c1F)N1CCCN(C(=O)C2CCCO2)CC1
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COCCOCCn1c(C2CC[NH+](Cc3ccc(C(=O)[O-])o3)CC2)cc2ccccc21
BondNum,"The molecule contains 12 single bonds, 3 double bonds, 1 triple bond, 7 rotatable bonds, and 17 aromatic bonds.",CCOC(=O)C(C#N)C(c1ccccc1)c1c(N)n(C(=O)Cc2ccccc2)[nH]c1=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amine group.",CC(C)Oc1ccccc1Nc1cc(N2CCN(C=O)CC2)ncn1
AddComponent,Add a aldehyde to the molecule CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCc1ccsc1.,CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCc1ccsc1CC=O
SubComponent,Substitute a hydroxyl in the molecule COc1cc(C(C)[NH+]2CCC(NC(C)=O)C2)ccc1O with a halo.,COc1cc(C(C)[NH+]2CCC(NC(C)=O)C2)ccc1F
DelComponent,Please remove a amide from the molecule COCCc1noc(CN(C)C(=O)C2=NN(c3ccccc3)C(C(=O)[O-])C2)n1.,COCCc1noc(CCC2NN(c3ccccc3)C2C(=O)[O-])n1
LogP,Modify the molecule CC(C)C(NC(=O)COc1cccc2ccccc12)C(=O)NC(CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 to decrease its LogP value.,CC(C)C(NC(=O)COc1cccc2ccccc12)C(=O)NC(CC(=O)[O-])C(=O)COc1cc(C(F)F)nn1-c1ccccc1
MR,Modify the molecule CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl to have a higher MR value.,CC(=O)c1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCCC
QED,Optimize the molecule COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cc(-c4ccco4)[nH]n3)c2)cc1 to have a higher QED value.,COc1ccc(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cc(-c4ccco4)[nH]n3)c2)cc1
AtomNum,"There is a molecule with 22 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CC[NH+](CC(=O)[O-])C1CC(NC(=O)N(Cc2cccc(C)c2)Cc2ccco2)C1
BondNum,"The molecule contains 8 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 12 aromatic bonds.",NC(=O)c1ccc(OCc2cccc(C#CCO)c2)cc1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 1 halo group.",CCCCCN(Cc1cccn1Cc1cccc(F)c1)C(=O)Nc1ccccc1OC
AddComponent,Please add a hydroxyl to the molecule Oc1ccc2c(COc3ccccc3Br)c[nH]c2c1.,Oc1cc(O)c2c(COc3ccccc3Br)c[nH]c2c1
SubComponent,Please substitute a CCC(C)C(=O)Nc1cc(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4ccc(F)cc4)c3C)CC2)ccc1Cl in the molecule halo with a nitro.,CCC(C)C(=O)Nc1cc(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4ccc(NO)cc4)c3C)CC2)ccc1Cl
DelComponent,Remove a CC(C)[NH2+]Cc1ccc(OCc2cccnc2)c(Cl)c1 from the molecule halo.,CC(C)[NH2+]Cc1ccc(OCc2cccnc2)cc1
LogP,Optimize the molecule CC(OC(=O)Nc1c(-c2cc(F)c(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2F)cnn1C)c1ccccc1 to have a lower LogP value.,CC(OC(=O)Nc1c(-c2cc(O)c(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2F)cnn1C)c1ccccc1
MR,Please optimize the molecule NS(=O)(=O)CC1C=CC=CC1(F)C[NH3+] to have a lower MR value.,[NH3+]CC1(F)C=CC=CC1C[SH](=O)=O
QED,Please optimize the molecule COc1ccc(OCCSC(C)CCO)cc1 to have a lower QED value.,COc1ccc(OCCSC(C)C(O)CO)cc1
AtomNum,"The molecule has 12 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCN(CC)C(=O)CN1CCC=CC1C[NH3+]
BondNum,"The molecule consists of 17 single bonds, 2 double bonds, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",CN(C)C(=O)c1ccc(C#CCNC(=O)CCC2CCCCC2)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, and 1 sulfide group.",NC(=S)CC(c1ccccc1)[NH+](Cc1cccs1)C1CC1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(COc2ccc(C(CC(=O)c3ccc(OCc4ccccc4)c(OC)c3)C[N+](=O)[O-])cc2OC)cc1.,COc1ccc(COc2ccc(C(CC(=O)c3ccc(OCc4ccccc4)c(OC)c3)C[N+](=O)[O-])cc2OCO)cc1
SubComponent,Substitute a hydroxyl in the molecule CCOCOCC(CC(COCc1ccccc1)C(=O)NO)NC(=O)c1ccc(Cl)cc1 with a aldehyde.,CC(=O)NC(=O)C(COCc1ccccc1)CC(COCOCC)NC(=O)c1ccc(Cl)cc1
DelComponent,Please remove a benzene ring from the molecule CCC[NH2+]C(Cc1cccc(Cl)c1)c1cc(Br)c(Cl)s1.,CCC[NH2+]C(CCl)c1cc(Br)c(Cl)s1
LogP,Please optimize the molecule CCC(=C(c1ccc(O)cc1)c1ccc(OCCCCCS(=O)Cc2ccccn2)cc1)c1ccccc1 to have a higher LogP value.,CCC(=C(c1ccccc1)c1ccc(OCCCCCS(=O)Cc2ccccn2)cc1)c1ccccc1
MR,Modify the molecule Cc1cnc2[nH]cc(Cc3cnc(NCc4cncc(F)c4)nc3)c2c1 to have a higher MR value.,Cc1cnc2[nH]cc(Cc3cnc(NCc4cncc(C(=O)[OH])c4)nc3)c2c1
QED,Please optimize the molecule CCCc1ccc(OCC(O)C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 to have a lower QED value.,CCCc1ccc(OCCC[NH2+]C23CC4CC(CC(C4)C2)C3)cc1
AtomNum,"The molecule consists of 35 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",Cc1ccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)N(C)C)ccc4Cl)CC3)cc2)cc1
BondNum,"Please generate a molecule composed of 8 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CCC(C)NC(=O)c1cc(C)cc(Br)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, 1 thioether group, and 1 sulfide group.",CC(=CCSc1ccc(N)cc1)C(=O)[O-]
AddComponent,Modify the molecule CCC(=O)N(c1ccc(C(=O)OC)cn1)C1CCCC1c1ccc(N)cc1 by adding a amine.,CCC(=O)N(c1ccc(C(=O)OC)cn1)C1CCC(N)C1c1ccc(N)cc1
SubComponent,Substitute a hydroxyl in the molecule COc1c(C)c(C)c(OC)c(-c2cn(C3CC(O)C(COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)c1C with a carboxyl.,COc1c(C)c(C)c(OC)c(-c2cn(C3CC(C(=O)[OH])C(COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)c1C
DelComponent,Please remove a amide from the molecule COC(=O)c1ccc(NC(=O)CSCc2cccc(C)c2)cc1.,COC(=O)c1ccc(SCc2cccc(C)c2)cc1
LogP,Optimize the molecule CC(F)(F)c1cc2c(c(C(=O)C[NH3+])c1)OCCO2 to have a lower LogP value.,CC(F)c1cc2c(c(C(=O)C[NH3+])c1)OCCO2
MR,Modify the molecule CCCNC(=O)c1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCCC4)ccc3Cl)CC2)C(C)C)cc1 to decrease its MR value.,CCCNC(=O)c1ccc(NC(=O)C(C(C)C)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCCC4)ccc3Cl)C2)cc1
QED,Optimize the molecule COCC1(C(=O)N2CCC[NH+](CC(=O)N3CCCC3)CC2)CCOCC1 to have a higher QED value.,COCC1CC[NH+](CC(=O)N2CCCC2)CC1C1CCOC1
AtomNum,"The molecule has 31 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COc1ccccc1CNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(OC)ccc(N4CC[NH+](C)CC4)c3C2)cc1
BondNum,"Please generate a molecule with 17 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cc(N(C)CC(=O)N2CCCC(C(F)(F)F)C2)ccc1Br
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 sulfone group.",O=S(=O)(c1ccc(OCCO)cc1)N(CC1CC1)C1CC1
AddComponent,Add a benzene ring to the molecule Cc1ccc(F)cc1COc1ccc(Br)cc1.,Cc1ccc(F)c(-c2ccccc2)c1COc1ccc(Br)cc1
SubComponent,Please substitute a CCOc1ccc(OCc2cccc(C(=O)Nc3cc(C)n(Cc4c(Cl)cccc4Cl)n3)c2)cc1 in the molecule halo with a hydroxyl.,CCOc1ccc(OCc2cccc(C(=O)Nc3cc(C)n(Cc4c(O)cccc4Cl)n3)c2)cc1
DelComponent,Remove a hydroxyl from the molecule CC(O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.,CC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
LogP,Please optimize the molecule O=C(COC(=O)Cc1coc2cc(O)ccc12)Nc1ccc(-c2ccccc2)cc1 to have a higher LogP value.,CC(=O)c1ccc2c(CC(=O)OCC(=O)Nc3ccc(-c4ccccc4)cc3)coc2c1
MR,Modify the molecule CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC4CCC(C3)[NH2+]4)cc2)CC1 to have a higher MR value.,CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC4CCC([NH2+]4)C(c4ccccc4)C3)cc2)CC1
QED,Modify the molecule COc1cc(-c2ccc(N(C(=O)C(F)(F)F)S(C)(=O)=O)c(C(F)(F)F)c2)c(OC)c(OS(C)(=O)=O)c1-c1ccc(OCc2ccccc2)c(OS(C)(=O)=O)c1 to have a lower QED value.,COc1c(-c2ccc(N(C(=O)C(F)(F)F)S(C)(=O)=O)c(C(F)(F)F)c2)cc(OCN)c(-c2ccc(OCc3ccccc3)c(OS(C)(=O)=O)c2)c1OS(C)(=O)=O
AtomNum,"There is a molecule with 16 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC1CC(C(=O)NCCCn2ccc3ccccc32)NN1
BondNum,"Please generate a molecule composed of 11 single bonds, 1 double bond, 2 rotatable bonds, and 5 aromatic bonds.",Cc1cc(C(=O)NC2CCCCCC2)n[nH]1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, 1 amine group, and 1 nitrile group.",N#Cc1ccccc1NCC1(CO)COC1
AddComponent,Please add a benzene ring to the molecule Cn1cc(CC(O)COc2cccc(Cl)c2)cn1.,Cn1cc(CC(O)(COc2cccc(Cl)c2)c2ccccc2)cn1
SubComponent,Modify the molecule hydroxyl by substituting a CCC(SCCCO)C(N)=[NH2+] with a aldehyde.,CC(=O)CCCSC(CC)C(N)=[NH2+]
DelComponent,Modify the molecule hydroxyl by removing a CCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2O)cc1.,CCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2)cc1
LogP,Modify the molecule Cc1c(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)CC2)cccc1C(=O)Nc1c(F)cccc1F to have a lower LogP value.,Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)N(C)C(=O)Nc3c(F)cccc3F)CC2)cccc1C(=O)N1CCCC1
MR,Please optimize the molecule CCCCCCCCCCCCCCCCCCOCCN1CC[NH+]=C1CCCCCCCCCCCCCC to have a higher MR value.,CCCCCCCCCCCCCCCCCCOCCN1CC[NH+]=C1CCCCCCCCCCCCC(C)O
QED,Modify the molecule Cc1cccc(C)c1NCc1ccc(C(=O)[O-])cc1 to have a lower QED value.,Cc1cccc(C)c1Cc1ccc(C(=O)[O-])cc1
AtomNum,"The molecule is composed of 10 carbon atoms, and 2 oxygen atoms.",O=C1CCC(O)C2CC=CCC12
BondNum,"Please generate a molecule composed of 4 single bonds, 2 double bonds, 2 rotatable bonds, and 17 aromatic bonds.",Nc1ccc(NC(=O)c2ccc(=O)[nH]c2)c2cccnc12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 ester group.",CC=Cc1cccc(OC(C)=O)c1
AddComponent,Please add a hydroxyl to the molecule CC(c1ccc(OC(F)(F)F)cc1)[NH+]1CCOC(C)(C)C1.,CC(c1ccc(OC(F)(F)F)cc1)[NH+]1CCOC(C)(CO)C1
SubComponent,Please substitute a COc1cc(C=C2C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Cl)c1OCc1ccccc1Cl in the molecule halo with a nitro.,COc1cc(C=C2C(=O)Nc3cc(C(F)(F)NO)ccc32)cc(Cl)c1OCc1ccccc1Cl
DelComponent,Please remove a halo from the molecule FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCC1CCC(C2CCCCC2)CC1.,FC(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCC1CCC(C2CCCCC2)CC1
LogP,Modify the molecule CCc1cccc(C(C)(O)Cc2ccc(OC)cc2)c1 to decrease its LogP value.,CCC(C)(O)Cc1ccc(OC)cc1
MR,Optimize the molecule O=C(C=Cc1ccc(Cl)cc1)Nc1ncc(Cc2ccc(F)cc2)s1 to have a lower MR value.,O=C(C=Cc1ccc(Cl)cc1)Nc1ncc(CF)s1
QED,Modify the molecule O=C(Cn1c2c(sc1=O)C(c1ccccc1O)C1C(=O)N(c3ccc(Br)cc3)C(=O)C1S2)N1CCCCC1 to decrease its QED value.,Nc1cc(Br)ccc1N1C(=O)C2Sc3c(sc(=O)n3CC(=O)N3CCCCC3)C(c3ccccc3O)C2C1=O
AtomNum,"The molecule is composed of 23 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC[NH+]1C2CCCC1CC(OC(c1ccccc1)c1ccccc1)C2
BondNum,"Please generate a molecule with 9 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",CC(C)N(C)c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1F
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 nitrile group.",COc1ccc(C#N)cc1C[NH+]1CCOCC1C1CCCC1O
AddComponent,Please add a benzene ring to the molecule COc1ccc(NC(=O)CCCCCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1.,COc1ccc(NC(=O)CCCCCN2C(=O)C(=CC=Cc3cccc(-c4ccccc4)c3)SC2=S)cc1
SubComponent,Substitute a hydroxyl in the molecule CCC(C)Sc1nnc(N2C(=O)C(O)N(C)C2=O)s1 with a halo.,CCC(C)Sc1nnc(N2C(=O)C(F)N(C)C2=O)s1
DelComponent,Please remove a hydroxyl from the molecule O=C([O-])CCCNC(=O)c1ccc(O)cc1.,O=C([O-])CCCNC(=O)c1ccccc1
LogP,Modify the molecule Cc1ccc(CC(O)C2CCC(C(C)(C)C)CC2)nc1 to decrease its LogP value.,Cc1ccc(CC(O)C2CCC(C(C)(C)CO)CC2)nc1
MR,Please optimize the molecule CC(N(CCO)C(=S)Nc1ccc(OCC(F)(F)C(F)F)cc1)C(O)(Cn1cncn1)c1ccc(F)cc1F to have a lower MR value.,CC(C(Cn1cncn1)c1ccc(F)cc1F)N(CCO)C(=S)Nc1ccc(OCC(F)(F)C(F)F)cc1
QED,Please modify the molecule Cc1ccc(-c2cnc(N(C)C)s2)cc1 to decrease its QED value.,Cc1cnc(N(C)C)s1
AtomNum,"Please generate a molecule with 10 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 chlorine atom.",CCc1nnc(Cl)n1C1CCOC1(C)C
BondNum,"The molecule consists of 25 single bonds, 3 double bonds, and 2 rotatable bonds.",COC1CC2(C)C(C(C)=O)CCC2C2CCC3=CC(=O)CCC3(C)C12
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 amide groups, and 1 sulfone group.",CNC(=O)C(C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O
AddComponent,Add a hydroxyl to the molecule CCC(NC(=O)N1C(=O)C(C)C1CSc1nc2ccccc2o1)c1ccccc1.,CCC(NC(=O)N1C(=O)C(C)(O)C1CSc1nc2ccccc2o1)c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule OCC1([NH2+]CCC2CC2)CCCCC1 with a carboxyl.,O=C([OH])CC1([NH2+]CCC2CC2)CCCCC1
DelComponent,Remove a benzene ring from the molecule O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C1C[NH2+]CCO1.,O=C(NCC[NH+]1CCSCC1)C1C[NH2+]CCO1
LogP,Please modify the molecule CC1=CC[NH+](CC(=O)C2(C)Cc3c(C)c4c(c(C)c3C(C)C2)C(=O)c2c(C)cccc2C4=O)CC1 to increase its LogP value.,CC1=CC[NH+](CC(=O)C2(C)Cc3c(C)c4c(c(C)c3C(C)C2)C(=O)c2c(C)ccc(-c3ccccc3)c2C4=O)CC1
MR,Modify the molecule Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 to decrease its MR value.,Cc1ccc(N(O)CC[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1
QED,Please modify the molecule CC(Cc1ccco1)NS(=O)(=O)c1ccc(F)cc1N to decrease its QED value.,CC(Cc1ccco1)NS(=O)(=O)c1ccc(S)cc1N
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 7 oxygen atoms, 5 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",NS(=O)(=O)OCC1CC(Nc2ncncc2C(=O)c2ccn(S(=O)(=O)c3cccc(Br)c3)c2)CC1O
BondNum,"The molecule has 18 single bonds, 4 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",CCOC(=O)Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)c(OC)c3)C2c2cccc(C)c2)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 hydroxyl group.",Cc1cc(O)cc(-c2cccc(N3CCCC3)n2)c1
AddComponent,Add a hydroxyl to the molecule COc1ccccc1CNS(=O)(=O)N1CCCCC1CO.,COc1ccccc1CNS(=O)(=O)N1C(O)CCCC1CO
SubComponent,Modify the molecule halo by substituting a Cc1ccccc1C1CCN(C(=O)C2CC[NH2+]CC2)CC1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 with a nitrile.,Cc1ccccc1C1CCN(C(=O)C2CC[NH2+]CC2)CC1OCc1cc(C(F)(F)F)cc(C(F)(F)C#N)c1
DelComponent,Modify the molecule COC(=O)C(O)c1cc2c(cc1C(C)(C)F)OCCCO2 by removing a halo.,COC(=O)C(O)c1cc2c(cc1C(C)C)OCCCO2
LogP,Modify the molecule CCCCCCCCCCCCCCCC(=O)Nc1nc(C)c(CCO[N+](=O)[O-])s1 to have a lower LogP value.,CCCCCCCCCCCCCCc1nc(C)c(CCO[N+](=O)[O-])s1
MR,Modify the molecule CCc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)sc2c1 to have a lower MR value.,CCc1ccc2nc(N(Cc3ccccn3)C(=O)S(=O)(=O)N3CCc4ccccc43)sc2c1
QED,Optimize the molecule COc1cc(O)c(C(C[N+](=O)[O-])c2ccc(C)cc2)c(OC)c1 to have a lower QED value.,COc1cc(O)c(C(C)C[N+](=O)[O-])c(OC)c1
AtomNum,"There is a molecule with 8 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 2 chlorine atoms.",Cc1nc(Cl)ncc1-c1noc(CCl)n1
BondNum,"Please generate a molecule with 34 single bonds, 10 rotatable bonds, and 45 aromatic bonds.",c1ccc2c(c1)c(N(c1ccc(C3CCCCC3)cc1)c1ccc(C3CCCCC3)cc1)cc1c3ccccc3c(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)cc21
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 thioether group, and 1 sulfide group.",CC(C)(C)c1ccc(CSc2n[nH]c(-c3ccccc3)n2)cc1
AddComponent,Modify the molecule Clc1nnc(C[NH+]2CCCC2C2CCCC2)s1 by adding a benzene ring.,Clc1nnc(C[NH+]2CC(c3ccccc3)CC2C2CCCC2)s1
SubComponent,Substitute a hydroxyl in the molecule CCc1cccc2c1N=CC2=Cc1[nH]c(=S)n(C)c1O with a halo.,CCc1cccc2c1N=CC2=Cc1[nH]c(=S)n(C)c1F
DelComponent,Modify the molecule CC(C)[NH2+]CCCc1nc(-c2cccc(Br)c2)no1 by removing a benzene ring.,CC(C)[NH2+]CCCc1nc(Br)no1
LogP,Modify the molecule CC1CCN(C(=O)Nc2cc(Cl)ccn2)CC1(F)F to have a lower LogP value.,CC1CC(O)N(C(=O)Nc2cc(Cl)ccn2)CC1(F)F
MR,Please optimize the molecule O=C(NCC(F)c1ccc(-c2ccncc2)cc1Cl)c1ccccc1C(F)(F)F to have a higher MR value.,O=C(NCC(C(=O)[OH])c1ccc(-c2ccncc2)cc1Cl)c1ccccc1C(F)(F)F
QED,Modify the molecule CN1C=N[NH2+][NH+]1NC(=O)CCl to have a lower QED value.,CN1C=N[NH2+][NH+]1Cl
AtomNum,"Please generate a molecule consisting 8 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CC(=O)c1nc(N)c2c(n1)CSC2
BondNum,"There is a molecule with 3 single bonds, 1 rotatable bond, and 11 aromatic bonds.",Nc1cncc(-c2sccc2Br)c1
FunctionalGroup,"The molecule contains 1 amide group, 1 thioether group, and 2 sulfide groups.",CNC(=O)NC(=O)CSc1ncnc2ccsc12
AddComponent,Please add a amine to the molecule CC[NH2+]C(C)CC(=O)Cc1ccc(F)c(Cl)c1.,CC[NH2+]C(C)CC(=O)Cc1ccc(F)c(Cl)c1N
SubComponent,Modify the molecule halo by substituting a [NH3+]C(CCSC(F)(F)F)C(=O)Nc1ccc(Br)cc1 with a thiol.,[NH3+]C(CCSC(F)(F)S)C(=O)Nc1ccc(Br)cc1
DelComponent,Please remove a benzene ring from the molecule [NH3+]C(Cc1ccccc1)C(=O)NCCC(=O)OCc1ccccc1.,CC([NH3+])C(=O)NCCC(=O)OCc1ccccc1
LogP,Modify the molecule CCc1ccc(C(Cl)C(C)=O)cc1Cl to decrease its LogP value.,CCc1ccc(C(O)C(C)=O)cc1Cl
MR,Modify the molecule CCOC(=O)C(C(=O)OCC)n1cnc2c(nnn2-c2ccc(Br)cc2)c1=O to have a higher MR value.,CCOC(=O)C(C(=O)OC(C)c1ccccc1)n1cnc2c(nnn2-c2ccc(Br)cc2)c1=O
QED,Please optimize the molecule CC(C)C[NH2+]Cc1ccc(Sc2cccc(Br)c2)cc1 to have a higher QED value.,CC(C)C[NH2+]Cc1ccc(SBr)cc1
AtomNum,"There is a molecule consisting of 28 carbon atoms, and 2 fluorine atoms.",CCCCCCc1ccc(-c2ccc(CCc3ccc(CC)cc3)cc2)c(F)c1F
BondNum,"Please generate a molecule with 23 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC1=NC2CCC2c2ccc(C(=O)NCC3([NH+]4CCOCC4)CCC3)cc21
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfone group.",O=C([O-])COC1COCCC1NS(=O)(=O)Cc1ccc(F)cc1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(CC3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc2)cc1.,Cc1ccc(-n2nc(C(C)(C)Cc3ccccc3)cc2NC(=O)Nc2ccc(CC3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc2)cc1
SubComponent,Please substitute a hydroxyl in the molecule O=C(CO)CC(=O)OCC1c2ccccc2-c2ccccc21 with a halo.,O=C(CI)CC(=O)OCC1c2ccccc2-c2ccccc21
DelComponent,Modify the molecule halo by removing a COc1oc(-c2ccc(NS(=O)(=O)c3sc4ccc(F)cc4c3C)c(S(C)(=O)=O)c2)nc1C.,COc1oc(-c2ccc(NS(=O)(=O)c3sc4ccccc4c3C)c(S(C)(=O)=O)c2)nc1C
LogP,Modify the molecule CCCCOc1cc2c(c(C(=O)CBr)c1)OCC(=O)N2 to have a lower LogP value.,CCCCOc1cc2c(c(C(=O)CS)c1)OCC(=O)N2
MR,Modify the molecule O=C([O-])CC1CCCc2sc(-c3ccco3)nc21 to increase its MR value.,O=C([O-])CC1CCCc2sc(-c3cc(C(=O)O)co3)nc21
QED,Optimize the molecule N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(N)=S to have a lower QED value.,N#CC(=Cc1ccc(-c2cc(-c3ccccc3)c([N+](=O)[O-])cc2Cl)o1)C(N)=S
AtomNum,"There is a molecule with 16 carbon atoms, 1 oxygen atom, 1 bromine atom, and 1 silicon atom.",CC#CC(O[Si](C)(C)C(C)(C)C)C(C)CCC(C)Br
BondNum,"There is a molecule composed of 6 single bonds, 3 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",Cc1ccc(-c2c(C(C)N=[N+]=[N-])nc3scc(C)n3c2=O)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, and 1 halo group.",CCCN(CC)c1cc(OC)c(F)cc1N
AddComponent,Please add a benzene ring to the molecule Cc1ccc(NC(=O)c2cncc(Nc3ccccc3C#N)c2)cc1.,Cc1ccc(NC(=O)c2cncc(Nc3c(C#N)cccc3-c3ccccc3)c2)cc1
SubComponent,Please substitute a halo in the molecule CCCOc1ccc(C=CC(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1 with a hydroxyl.,CCCOc1ccc(C=CC(=O)Nc2sc(C)c(-c3ccc(O)cc3)c2C(=O)OC)cc1
DelComponent,Please remove a halo from the molecule O=C(NCCC[NH+]1CCCCC1)c1ccc(I)c(Cl)c1.,O=C(NCCC[NH+]1CCCCC1)c1cccc(Cl)c1
LogP,Modify the molecule C[NH+]1CCNC(C[NH2+]CC(C)(C)c2cccs2)C1 to decrease its LogP value.,C[NH+]1CCNC(C[NH2+]CC(C)(C)c2sccc2O)C1
MR,Please optimize the molecule FC(F)(F)c1ccc(-[n+]2cc3ccccc3cc2-c2ccccc2)cc1 to have a lower MR value.,FC(F)(F)[n+]1cc2ccccc2cc1-c1ccccc1
QED,Please optimize the molecule O=C(Nc1nc2cc3c(cc2s1)OC(F)(F)O3)NC1(CO)CC1 to have a lower QED value.,O=C(Nc1nc2cc3c(cc2s1)OC(F)(S)O3)NC1(CO)CC1
AtomNum,"The molecule has 32 carbon atoms, 7 oxygen atoms, and 1 sulfur atom.",COC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1
BondNum,"There is a molecule composed of 41 single bonds, 1 double bond, 25 rotatable bonds, and 18 aromatic bonds.",CCCCOCC1OC(Cc2ccc(C3C(CCCc4ccc(F)cc4)C(=O)N3c3ccc(O)cc3)cc2)C(OCCCC)C(OCCCC)C1OCCCC
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 nitro group, 1 sulfide group, and 1 sulfone group.",O=c1[nH]c(C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc2scc(-c3ccccc3)c12
AddComponent,Please add a amine to the molecule C[NH+]=C(NCc1cccc(OC(F)F)c1)NCc1cc(C(C)C)no1.,C[NH+]=C(NCc1cccc(OC(F)F)c1)NCc1cc(C(C)CN)no1
SubComponent,Please substitute a COc1ccc(O)c(-c2csc(CCCC[NH3+])n2)c1 in the molecule hydroxyl with a carboxyl.,COc1ccc(C(=O)[OH])c(-c2csc(CCCC[NH3+])n2)c1
DelComponent,Remove a benzene ring from the molecule CCSc1cccc(N2CCCC2C2CCC[NH2+]2)c1C#N.,CC[SH](C#N)N1CCCC1C1CCC[NH2+]1
LogP,Modify the molecule CCCCOc1ccc(-c2nnc(SCCO)n2C2CCCCC2)cc1 to have a higher LogP value.,CC(=O)CCSc1nnc(-c2ccc(OCCCC)cc2)n1C1CCCCC1
MR,Please optimize the molecule O=C(CCN1C(=O)c2ccccc2C1=O)N1CC[NH+]=C1c1cccc(Cl)c1 to have a higher MR value.,ONc1cccc(C2=[NH+]CCN2C(=O)CCN2C(=O)c3ccccc3C2=O)c1
QED,Modify the molecule COC(=O)c1c[nH+]c(SCC(C)O)[nH]1 to increase its QED value.,CCCSc1[nH]c(C(=O)OC)c[nH+]1
AtomNum,"The molecule contains 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCOC(=O)c1cn(-c2ccc(C(C)C)cc2)nn1
BondNum,"Please generate a molecule composed of 5 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",Cc1cc(C=CC(=O)[O-])ccc1-n1ncc2ccccc21
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",CCCCOc1ccc(C(=O)N2CCCCC2C(C)[NH3+])cc1OCC
AddComponent,Modify the molecule C[NH+](C)CCN1C(=O)CCC(C(=O)[O-])C1c1ccco1 by adding a hydroxyl.,C[NH+](C)CCN1C(=O)CCC(C(=O)[O-])C1c1ccc(O)o1
SubComponent,Modify the molecule CCC(C)(C([NH3+])Cc1ccc(Cl)c(Cl)c1)N1CCCCC1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(CC([NH3+])C(C)(CC)N2CCCCC2)cc1Cl
DelComponent,Remove a CCCCCCN1C(=O)SC(=Cc2ccc(OC)c(OC)c2)C1=O from the molecule amide.,CCCCCC1C(=O)SC1c1ccc(OC)c(OC)c1
LogP,Modify the molecule O=Cc1ccc(C2=NC=C(F)C3=CC(=O)C4[NH2+]CNC=CC324)cc1 to have a lower LogP value.,O=CC1=NC=C(F)C2=CC(=O)C3[NH2+]CNC=CC213
MR,Optimize the molecule Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2Cl)CC1 to have a higher MR value.,Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2cc(C(=O)N3CCOCC3)cc(-c3ccccc3)c2Cl)CC1
QED,Please modify the molecule Oc1ccc2c(c1)CC[NH+](C1CCC1)C2 to decrease its QED value.,c1ccc2c(c1)CC[NH+](C1CCC1)C2
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, and 1 phosphorus atom.",COC(COc1cc(C(C)=O)cc2ccc(N(C)C)cc12)COP(=O)([O-])OCC[N+](C)(C)C
BondNum,"The molecule is composed of 20 single bonds, 4 double bonds, 12 rotatable bonds, and 18 aromatic bonds.",COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)C(C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c1
FunctionalGroup,"The molecule has 1 hydroxyl group, 1 amide group, 1 amine group, and 2 halo groups.",CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CC(O)CC(F)C1
AddComponent,Modify the molecule O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)NC(Cc1ccccc1)C(=O)Nc1ccc(N(CCc2nn[n-]n2)C(=O)[O-])cc1 by adding a carboxyl.,O=C(C=Cc1cc(Cl)cc(C(=O)O)c1-n1cnnn1)NC(Cc1ccccc1)C(=O)Nc1ccc(N(CCc2nn[n-]n2)C(=O)[O-])cc1
SubComponent,Please substitute a hydroxyl in the molecule O=c1[nH]c2ncn(Cc3ccccn3)c2c(=O)n1O with a thiol.,O=c1[nH]c2ncn(Cc3ccccn3)c2c(=O)n1S
DelComponent,Remove a benzene ring from the molecule COc1ccccc1C(C)N(C)C(=O)C1CC1c1ccco1.,COC(C)N(C)C(=O)C1CC1c1ccco1
LogP,Optimize the molecule Cc1ccc(C(=O)NC2CCCCC2C)cc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cc(Cl)ccc2C(=O)N2CCOCC2)CC1 to have a lower LogP value.,Cc1ccc(C(=O)NC2CCCCC2C)cc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cc(NO)ccc2C(=O)N2CCOCC2)CC1
MR,Modify the molecule COC(=O)N(c1cccc(CC(OC(C)C)C(=O)[O-])c1)c1ccc2c(c1)CCO2 to decrease its MR value.,COC(=O)N(CC(OC(C)C)C(=O)[O-])c1ccc2c(c1)CCO2
QED,Please modify the molecule CNc1ncnc(SCC(=O)OC)c1[N+](=O)[O-] to decrease its QED value.,COC(=O)CSc1ncnc(C)c1[N+](=O)[O-]
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",Cc1ccccc1C(=O)c1ccc2n1CCCCC2C(=O)[O-]
BondNum,"Please generate a molecule composed of 8 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",CN(CC(F)F)c1ncc(C(=O)[O-])s1
FunctionalGroup,"The molecule consists of 1 ketone group, 1 thioether group, and 1 sulfide group.",CC(=O)CSC(=S)N1CCCCC1
AddComponent,Modify the molecule Cc1cccc(C(=O)Nc2cccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCCC(C)C5)c4C)CC3)c2)c1 by adding a thiol.,Cc1cccc(C(=O)Nc2cccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCCC(C)C5)c4C)CC3S)c2)c1
SubComponent,Please substitute a halo in the molecule NC(=O)Cc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1 with a aldehyde.,CC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(CC(N)=O)c1
DelComponent,Please remove a C[NH+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCCCCC1 from the molecule benzene ring.,C[NH+](CC(=O)N1CCN(S(=O)(=O)C#N)CC1)C1CCCCCC1
LogP,Optimize the molecule CC(CC[NH3+])[NH2+]Cc1ncccc1Br to have a lower LogP value.,CC(CC[NH3+])[NH2+]Cc1ccccn1
MR,Please optimize the molecule CNc1cc(Nc2cnc(C#N)cn2)[nH+]cc1-c1ccc(OCCOC)cc1 to have a lower MR value.,CNc1cc(Nc2cnccn2)[nH+]cc1-c1ccc(OCCOC)cc1
QED,Please optimize the molecule NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1 to have a higher QED value.,NS(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1
AtomNum,"The molecule is composed of 18 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)NCc1ccccc1Cl
BondNum,"The molecule consists of 5 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CNc1ccccc1S(=O)(=O)Nc1cncnc1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 1 thioether group, and 1 sulfide group.",Cc1ccc(-c2ccc3nnc(SCC(=O)N4CCC(Cc5ccccc5)CC4)n3n2)cc1
AddComponent,Modify the molecule CC(O)c1cc(F)ccc1OC1CCOC2(CCSC2)C1 by adding a hydroxyl.,CC(O)c1cc(F)cc(O)c1OC1CCOC2(CCSC2)C1
SubComponent,Substitute a halo in the molecule COc1ccc(-c2nc(C[NH+](C)Cc3ccccn3)c(C)o2)c(F)c1 with a carboxyl.,COc1ccc(-c2nc(C[NH+](C)Cc3ccccn3)c(C)o2)c(C(=O)[OH])c1
DelComponent,Modify the molecule CN(CCc1ccccc1)S(=O)(=O)c1ccccc1N by removing a benzene ring.,CN(CCc1ccccc1)S(N)(=O)=O
LogP,Modify the molecule Cc1noc(C)c1CNS(=O)(=O)Cc1cccc(C(F)(F)F)c1 to decrease its LogP value.,Cc1noc(C)c1CNS(=O)(=O)Cc1cccc(C(F)(F)C(=O)[OH])c1
MR,Please modify the molecule O=C(NN=C(c1ccccc1)c1ccncc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 to increase its MR value.,O=C(NN=C(c1ccccc1)c1ccncc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1
QED,Modify the molecule CCOC(=O)c1ccc(NCc2ccccc2Br)c(Br)c1 to increase its QED value.,CCOC(=O)c1ccc(NCc2ccccc2C(=O)[OH])c(Br)c1
AtomNum,"There is a molecule consisting of 52 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",c1ccc(C2NC(c3cccc4c3C3(c5ccccc5O4)c4ccccc4-c4ccccc43)=[NH+]C(c3ccc(-c4cccc5c4oc4ccccc45)cc3)=[NH+]2)cc1
BondNum,"Please generate a molecule with 25 single bonds, 3 double bonds, 9 rotatable bonds, and 4 aromatic bonds.",CC(C)CN(CC(C)C)C(=O)C1CCC(CNc2c(N3CCCC3)c(=O)c2=O)CC1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 sulfide group.",CCN(CC)c1ccc(N2C(=O)C(O)=C(c3cccs3)C2c2cc(OC)c(OC)cc2OC)cc1
AddComponent,Add a benzene ring to the molecule CCOOC(=O)C(=Cc1ccc(OC)cc1)CC.,CCOOC(=O)C(=Cc1ccc(OC)cc1)C(C)c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1c(C2C=C(C(=O)NC3CC4CCC3C4)OC(OCCCCO)C2)c(=O)n(-c2ccccc2)n1C with a halo.,Cc1c(C2C=C(C(=O)NC3CC4CCC3C4)OC(OCCCCF)C2)c(=O)n(-c2ccccc2)n1C
DelComponent,Modify the molecule NNC(Cc1ccc(Cl)s1)C1COCCO1 by removing a amine.,NC(Cc1ccc(Cl)s1)C1COCCO1
LogP,Optimize the molecule CC(C)c1ccc(C(=O)NC(=S)NCc2ccccc2Cl)cc1 to have a lower LogP value.,CC(C)c1ccc(C(=O)NC(=S)NCc2cc(CC=O)ccc2Cl)cc1
MR,Modify the molecule Cc1cnn(CC2C[NH+](CC(O)Cn3cccn3)CCO2)c1 to increase its MR value.,Cc1cnn(CC2C[NH+](CC(Cn3cccn3)NO)CCO2)c1
QED,Please modify the molecule N#Cc1sc(NCC2CCOC2)cc1N to decrease its QED value.,Nc1csc(NCC2CCOC2)c1
AtomNum,"The molecule is composed of 25 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",O=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccc(Br)cc1
BondNum,"The molecule contains 20 single bonds, and 5 rotatable bonds.",CC1CC[NH+](CCC[NH2+]C2CC(C)CCC2C)CC1
FunctionalGroup,"The molecule has 1 amine group, and 1 sulfone group.",C[NH+](C)CCn1nc(C(C)(C)C)cc1S(N)(=O)=O
AddComponent,Please add a hydroxyl to the molecule COc1ccc(-c2nc(NCc3ccccn3)nc3nn(C)c(N)c23)c(F)c1.,COc1ccc(-c2nc(NCc3ccccn3)nc3nn(CO)c(N)c23)c(F)c1
SubComponent,Substitute a hydroxyl in the molecule Cc1nc(SCC(C)CO)ccc1C(=O)[O-] with a carboxyl.,Cc1nc(SCC(C)CC(=O)[OH])ccc1C(=O)[O-]
DelComponent,Please remove a CCC(C)C(NC(=O)CCCOc1cccc(Br)c1)C(=O)OC from the molecule benzene ring.,CCC(C)C(NC(=O)CCCOBr)C(=O)OC
LogP,Modify the molecule C[NH+]1CCN(S(=O)c2ccc(-c3c(O)[nH]c4ccc(C(=O)NCC#N)cc34)nc2)CC1 to increase its LogP value.,CNC(=O)c1ccc2[nH]c(O)c(-c3ccc(S(=O)N4CC[NH+](C)CC4)cn3)c2c1
MR,Modify the molecule Cc1cc(C(=O)C(C)Cl)c(C)n1CC(C)(C)C(N)=O to have a lower MR value.,Cc1cc(C(=O)C(C)NO)c(C)n1CC(C)(C)C(N)=O
QED,Modify the molecule COc1ccc(CC(=O)N2CCC(N3CCNC3=O)CC2)cc1F to increase its QED value.,COc1ccc(C2CCC(N3CCNC3=O)C2)cc1F
AtomNum,"There is a molecule composed of 26 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",Cc1nn(C)c2ncc(C(=O)OCC(=O)c3cc(C)n(CC4COc5ccccc5O4)c3C)cc12
BondNum,"The molecule is composed of 15 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccc(OC)c(C=CC(=O)N2CCCC(C(N)=O)C2)c1
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 1 amide group.",CCC(CC)NC(=O)C(C)[NH2+]C1CC(O)C1(C)C
AddComponent,Please add a benzene ring to the molecule COc1ccc(CN(C(=[NH+]C(=O)c2ccnc(Cl)c2)SC)c2ccc(F)c(C(F)(F)F)c2)cc1.,COc1ccc(CN(C(=[NH+]C(=O)c2ccnc(Cl)c2)SC)c2cc(-c3ccccc3)c(F)c(C(F)(F)F)c2)cc1
SubComponent,Please substitute a halo in the molecule CC(C)(C(=O)C(Br)Oc1ccccc1)c1ccc(Cl)cc1 with a carboxyl.,CC(C)(C(=O)C(Oc1ccccc1)C(=O)[OH])c1ccc(Cl)cc1
DelComponent,Please remove a hydroxyl from the molecule OC(CC1CCCC1)c1cccc(OC(F)F)c1.,FC(F)Oc1cccc(CCC2CCCC2)c1
LogP,Modify the molecule CCC(C)Oc1ccc(C=NNC(=O)Nc2ccccc2C)cc1Br to decrease its LogP value.,CCC(C)Oc1ccc(C=NNC(=O)Nc2ccccc2C)cc1O
MR,Modify the molecule O=C([O-])Cc1cccc(CO)c1CCCBr to increase its MR value.,CC(=O)Cc1cccc(CC(=O)[O-])c1CCCBr
QED,Please optimize the molecule CNC(NC(=O)c1cc2ccccc2[nH]1)=[NH+]C to have a higher QED value.,C[NH+]=C(C)NC(=O)c1cc2ccccc2[nH]1
AtomNum,"There is a molecule composed of 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 fluorine atoms.",O=C([O-])c1nc(F)ccc1-c1ccc(F)cc1
BondNum,"The molecule contains 9 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",Fc1cc(-c2cn(C3C[NH2+]C3)nn2)cc(F)c1F
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ester group, and 3 halo groups.",CC(=O)OCC(C)C=Cc1ccc(C(F)(F)F)cc1
AddComponent,Modify the molecule Cc1ccc(O)c(SCC(O)c2ccccc2)n1 by adding a benzene ring.,Cc1ccc(O)c(SCC(O)(c2ccccc2)c2ccccc2)n1
SubComponent,Modify the molecule nitrile by substituting a N#CCC(=O)N1CCN(C(=O)c2cccnc2)CC1 with a nitro.,ONCC(=O)N1CCN(C(=O)c2cccnc2)CC1
DelComponent,Remove a CCOC(=O)c1c(NC(=S)NCc2ccn(C)n2)sc2c1CCCCCC2 from the molecule amine.,CCOC(=O)c1c(C(=S)NCc2ccn(C)n2)sc2c1CCCCCC2
LogP,Please modify the molecule Fc1cccc(CSCC(F)(F)F)c1 to decrease its LogP value.,Oc1cccc(CSCC(F)(F)F)c1
MR,Please modify the molecule CCOc1ccccc1C(=O)N1CCOC(c2ccc(C(F)(F)F)cc2)C1 to increase its MR value.,CCOc1ccccc1C(=O)N1CCOC(c2ccc(C(F)(F)F)cc2-c2ccccc2)C1
QED,Modify the molecule CCCCC(CC)COC(C)N1CCCCCC1=O to decrease its QED value.,CCCCC(CC)COC(C)C1CCC1
AtomNum,"Please generate a molecule with 23 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)Nc3ccccc3F)ccc2CO)CC1
BondNum,"There is a molecule with 20 single bonds, 3 double bonds, and 7 rotatable bonds.",CC(C)C1(CNC(=O)NCCS(=O)(=O)N2CCSCC2)CC1
FunctionalGroup,"Please generate a molecule composed of 1 amide group, 1 nitro group, and 1 halo group.",COCC(C)N(C)C(=O)c1ccnc(Cl)c1[N+](=O)[O-]
AddComponent,Modify the molecule CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C=Cc1cccc(F)c1 by adding a hydroxyl.,CCOC(=O)c1c(-c2cc([N+](=O)[O-])ccc2O)csc1NC(=O)C=Cc1cccc(F)c1
SubComponent,Please substitute a halo in the molecule COC(=O)c1[nH]c(=O)c(Br)cc1C1CCC1 with a aldehyde.,CC(=O)c1cc(C2CCC2)c(C(=O)OC)[nH]c1=O
DelComponent,Modify the molecule benzene ring by removing a CCCCCCCCCCCCCCCOc1ccccc1OC(=O)c1ccc(-c2ccc(C(C)OCCCCCCCCCCCC)cc2)cc1.,CCCCCCCCCCCCCCCOc1ccccc1OC(=O)c1ccc(C(C)OCCCCCCCCCCCC)cc1
LogP,Modify the molecule CNc1cc(NCc2cscc2C)cc[nH+]1 to have a lower LogP value.,Cc1cscc1CNc1cc[nH+]c(NCO)c1
MR,Optimize the molecule O=Cc1cc(N2CCNC2=O)c2cc(Cc3ccc(F)cc3)cnc2c1O to have a higher MR value.,O=Cc1cc(N2CCNC2=O)c2cc(Cc3ccc(F)cc3)c(O)nc2c1O
QED,Please optimize the molecule CC(NC(=O)C(C#N)=C[NH2+]CCN1CCOCC1)c1ccc2c(c1)CCCC2 to have a lower QED value.,CC(NC(=O)C(=C[NH2+]CCN1CCOCC1)C(=O)[OH])c1ccc2c(c1)CCCC2
AtomNum,"Please generate a molecule consisting 16 carbon atoms, and 3 nitrogen atoms.",CCC([NH2+]Cc1cncn1C(C)C)C1CCCCC1
BondNum,"Please generate a molecule consisting 7 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C(Cc2cccnc2)NN)c(C)nn1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 amide groups, and 2 halo groups.",CCC[NH+](CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1c(C)cccc1CC
AddComponent,Modify the molecule Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NC3CCC[NH2+]C3)CC2)c1 by adding a benzene ring.,Cc1cc(S(=O)(=O)N2CCN(C(=O)NC3CCC[NH2+]C3)CC2)c(C)cc1-c1ccccc1
SubComponent,Modify the molecule nitrile by substituting a N#COCc1cc(CN=C=O)cc(CN=C=O)c1 with a aldehyde.,CC(=O)OCc1cc(CN=C=O)cc(CN=C=O)c1
DelComponent,Modify the molecule halo by removing a O=C(Nc1ccc(C[NH+]2CCN(c3nccc(Nc4cc(C5CC5)[nH]n4)n3)CC2)nn1)c1ccccc1C(F)(F)F.,O=C(Nc1ccc(C[NH+]2CCN(c3nccc(Nc4cc(C5CC5)[nH]n4)n3)CC2)nn1)c1ccccc1C(F)F
LogP,Modify the molecule C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)n(CCOC)c1=O to decrease its LogP value.,C[NH2+]Cc1ccc(-c2ccc(NO)cc2)n(CCOC)c1=O
MR,Modify the molecule O=C([O-])c1ccccc1OCCCOCc1cccs1 to decrease its MR value.,O=C([O-])OCCCOCc1cccs1
QED,Please modify the molecule O=C([O-])CC1CCCN(C(=O)Nc2ccc(Cl)cc2I)C1 to decrease its QED value.,O=C([O-])CC1CCC(c2ccccc2)N(C(=O)Nc2ccc(Cl)cc2I)C1
AtomNum,"There is a molecule consisting of 9 carbon atoms, 3 oxygen atoms, and 7 fluorine atoms.",C=C(F)C(=O)OC(C)(C)C(O)(C(F)(F)F)C(F)(F)F
BondNum,"The molecule contains 16 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)Oc1cc(N(C)CC2CC[NH+](C)CC2)ccc1N
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 sulfide group.",CCCN1C(=O)SC(=Cc2cccn2-c2cccc(C)c2)C1=O
AddComponent,Please add a carboxyl to the molecule CCC[NH2+]C(c1cccc(Cl)c1)c1ccncc1Cl.,O=C(O)CCC[NH2+]C(c1cccc(Cl)c1)c1ccncc1Cl
SubComponent,Modify the molecule halo by substituting a O=S(=O)(c1ccc(F)cc1)N1CCn2cccc2C1c1ccncc1 with a nitro.,ONc1ccc(S(=O)(=O)N2CCn3cccc3C2c2ccncc2)cc1
DelComponent,Remove a CC1(C)COB(c2ccc(C3CC3)cc2)OC1 from the molecule benzene ring.,CC1(C)COB(C2CC2)OC1
LogP,Please optimize the molecule CS(=O)(=O)NC1CCCCC1N1C(=O)c2ccccc2C(C(=O)NOCc2cccc(OCCCC(=O)[O-])c2)C1c1ccc(Cl)cc1 to have a lower LogP value.,CC(=O)c1ccc(C2C(C(=O)NOCc3cccc(OCCCC(=O)[O-])c3)c3ccccc3C(=O)N2C2CCCCC2NS(C)(=O)=O)cc1
MR,Please modify the molecule COc1cc(Br)cc(NC(=O)c2ccc(N)c(Cl)c2)c1 to increase its MR value.,COc1cc(Br)c(O)c(NC(=O)c2ccc(N)c(Cl)c2)c1
QED,Modify the molecule Cc1cc(C)c(C([NH3+])C2(CO)COC2)cc1C to increase its QED value.,Cc1cc(C([NH3+])C2(CO)COC2)c(C)c(-c2ccccc2)c1C
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",COC(=O)c1ccc(N=NN(C(C)C)C(C)C)cc1
BondNum,"The molecule contains 11 single bonds, 1 double bond, 8 rotatable bonds, and 6 aromatic bonds.",COCOCCc1cn(COC)c(=O)nc1OC
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 sulfone group.",Cc1ccc(C(=O)N2CCOC(CN(CC(=O)[O-])S(C)(=O)=O)C2)c(C)c1
AddComponent,Add a hydroxyl to the molecule CC1CCCCCN1C(=O)c1cnccc1C#N.,CC1(O)CCCCCN1C(=O)c1cnccc1C#N
SubComponent,Substitute a nitrile in the molecule CC1CN(c2nnc(-c3ccc(C#N)cc3)c3ccccc23)CC[NH2+]1 with a nitro.,CC1CN(c2nnc(-c3ccc(NO)cc3)c3ccccc23)CC[NH2+]1
DelComponent,Modify the molecule halo by removing a COc1ccc(C(C)[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)cc1Br.,COc1ccc(C(C)[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)cc1
LogP,Modify the molecule OCCCOC1C(OCCCOCc2ccccc2)C(OCCCO)C(OCCCOCc2ccccc2)C(OCCCO)C1OCCCOCc1ccccc1 to have a higher LogP value.,CCCOC1C(OCCCOCc2ccccc2)C(OCCCO)C(OCCCOCc2ccccc2)C(OCCCO)C1OCCCOCc1ccccc1
MR,Modify the molecule Fc1cc2c(cc1C1C[NH2+]CCO1)OCO2 to increase its MR value.,O=CCc1c2c(cc(F)c1C1C[NH2+]CCO1)OCO2
QED,Please modify the molecule COCCN(CC(=O)Nc1ccon1)C(=O)Nc1cccc(Cl)c1 to decrease its QED value.,COCCN(CC(=O)Nc1ccon1)C(=O)Nc1cccc(C#N)c1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, and 7 nitrogen atoms.",O=C(NCC1CCC2(CN(c3ccc4nncn4n3)C2)OC1)N1CCCC1
BondNum,"The molecule has 15 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",O=C(CC1CC2CN(c3ncccn3)CC2O1)NCc1ccco1
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 1 ester group.",C=C(C)C(=O)OC(C)CC(CC)(CC)OC(C)(C)C(C)(C)O
AddComponent,Please add a benzene ring to the molecule CCCCC1(C2CC(=O)N(c3cc(F)ccc3F)C2=O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.,CCCCC1(C2C(=O)N(c3cc(F)ccc3F)C(=O)C2c2ccccc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
SubComponent,Please substitute a COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(F)c(F)c1F in the molecule halo with a nitro.,COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(NO)c(F)c1F
DelComponent,Remove a O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)Nc1ccccc1Oc1ccccc1 from the molecule halo.,O=C(CCc1cnoc1-c1ccc(C(F)F)cc1)Nc1ccccc1Oc1ccccc1
LogP,Optimize the molecule COc1ccc(Nc2cc(C(=O)NCCc3ccc(F)cc3)ccn2)cc1OC to have a lower LogP value.,COc1ccc(Nc2cc(C(=O)NCCc3ccc(O)cc3)ccn2)cc1OC
MR,Optimize the molecule O=C(c1c(F)cccc1Br)N(CCCl)C1CCCC1 to have a higher MR value.,N#Cc1cccc(Br)c1C(=O)N(CCCl)C1CCCC1
QED,Please modify the molecule O=C(Nc1ccncc1F)NC1CCC(O)CC1 to decrease its QED value.,O=C(Nc1ccncc1)NC1CCC(O)CC1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 3 chlorine atoms.",CC(=Cc1ccc(Cl)cc1)C(O)(c1cccc(Cl)c1Cl)C(C)C[NH+](C)C
BondNum,"Please generate a molecule consisting 11 single bonds, 2 double bonds, and 6 rotatable bonds.",CC(=O)NCCCCC(C)NC(C)=O
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 2 amine groups.",Cc1cccc(C(CCc2ccnn2C)NN)c1
AddComponent,Please add a benzene ring to the molecule CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)c1C.,CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccc(OC)cc3)CC2)c1C
SubComponent,Modify the molecule halo by substituting a Cc1ccccc1C(O)CNC(=O)C=CC(=O)Nc1ccc(F)cc1 with a aldehyde.,CC(=O)c1ccc(NC(=O)C=CC(=O)NCC(O)c2ccccc2C)cc1
DelComponent,Remove a benzene ring from the molecule CC([NH2+]C(CO)(CO)CO)c1ccc(C(F)(F)F)cc1.,CC([NH2+]C(CO)(CO)CO)C(F)(F)F
LogP,Modify the molecule CC[NH+]1CCOC(CC([NH3+])C(=O)OC(C)(C)C)C1 to have a lower LogP value.,CC[NH+]1CCOC(CC([NH3+])C(=O)OC(C)(C)C)C1O
MR,Modify the molecule CCCCC(CC)C(Cc1cc(Cl)cc2c1OCC2)[NH2+]C to have a lower MR value.,CCCCC(CC)C(Cc1cc(C#N)cc2c1OCC2)[NH2+]C
QED,Modify the molecule CCOc1ccc(-c2noc(C[NH+]3C(C(=O)[O-])CC4CCCCC43)n2)cc1 to decrease its QED value.,CCOc1noc(C[NH+]2C(C(=O)[O-])CC3CCCCC32)n1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 6 nitrogen atoms, and 4 fluorine atoms.",Fc1cc(F)c(F)c(NNc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c1F
BondNum,"There is a molecule with 36 single bonds, and 8 rotatable bonds.",COC1OC(CO)CC(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, and 2 halo groups.",CC(Nc1c(F)cccc1Cl)c1ccc2c(c1)CCO2
AddComponent,Modify the molecule Cc1noc(C2COCC[NH+]2CCC2CCCC(C)C2)n1 by adding a benzene ring.,Cc1noc(C2COCC[NH+]2CCC2CC(C)CC(c3ccccc3)C2)n1
SubComponent,Please substitute a thiol in the molecule SCC1(c2ccc3ncoc3c2)COC1 with a nitro.,ONCC1(c2ccc3ncoc3c2)COC1
DelComponent,Modify the molecule benzene ring by removing a COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)C[NH+]4CCN(C)CC4)cc3)c3cccs3)c(O)[nH]c2c1.,COC(=O)c1ccc2c(C(=NN(C)C(=O)C[NH+]3CCN(C)CC3)c3cccs3)c(O)[nH]c2c1
LogP,Modify the molecule CCCCC(=O)N(C)Cc1ccccc1OC(F)(F)F to decrease its LogP value.,CCCCC(=O)N(C)Cc1ccccc1OC(O)(F)F
MR,Modify the molecule COc1ccc2cc(C(=O)[O-])c(NCc3ccco3)nc2c1 to increase its MR value.,COc1ccc2cc(C(=O)[O-])c(NCc3cc(-c4ccccc4)co3)nc2c1
QED,Optimize the molecule CN(C)c1ccc(Nc2nccc(NCC[NH+](C)C)n2)cc1 to have a lower QED value.,CN(C)c1ccc(Nc2nccc(NCC(c3ccccc3)[NH+](C)C)n2)cc1
AtomNum,"There is a molecule composed of 24 carbon atoms, 6 oxygen atoms, and 5 nitrogen atoms.",COc1cc(OC)cc(OCC(=O)NCCOc2ccc3nnc(-c4cccc(OC)c4)n3n2)c1
BondNum,"The molecule contains 9 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",C[NH2+]C(C(=O)OC)c1cc(F)ccc1OC
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 4 halo groups.",Cc1c(F)ccc(OC(F)F)c1F
AddComponent,Modify the molecule COCC(=O)Cc1nnn(C)n1 by adding a carboxyl.,COCC(=O)Cc1nnn(CC(=O)O)n1
SubComponent,Substitute a CCC1CCC(N(C)c2ccc(Br)cc2N)CC1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(N(C)C2CCC(CC)CC2)c(N)c1
DelComponent,Please remove a halo from the molecule OC(c1ccc(OC(F)(F)F)cc1)c1nccn1Cc1ccccc1.,OC(c1ccc(OC(F)F)cc1)c1nccn1Cc1ccccc1
LogP,Optimize the molecule CCCCCCCC[NH2+]C(c1ccccc1)(c1ccccc1)C(C)c1ccccc1 to have a lower LogP value.,CCCCCCCC[NH2+]C(c1ccccc1)(c1ccc(C(=O)O)cc1)C(C)c1ccccc1
MR,Please modify the molecule CCc1ccc(OC)c(C(C(=O)OC)C(C)C)c1 to increase its MR value.,CCc1ccc(OC)c(C(C(=O)OC)C(C)C)c1O
QED,Please optimize the molecule CC(CCOC(=O)CS)C(OC(=O)[N-]C(=O)c1ccccc1)c1ccc(O)c(F)c1 to have a lower QED value.,CC(CCOC(=O)CS)C(OC(=O)[N-]C(=O)c1ccccc1)(c1ccccc1)c1ccc(O)c(F)c1
AtomNum,"There is a molecule with 23 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CCOC(=O)C1=C(COc2cccc(C)c2C)N(C)C(=O)NC1c1ccc(Cl)cc1
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CCc1cc(NC(=O)N2CCCC(COC)C2)c2ccccc2n1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 nitrile group.",COc1cccc(CCC(C)(C#N)N2CCCCC2)c1
AddComponent,Modify the molecule CN(C(=O)C[NH+]1CCN(Cc2ccccn2)CC1)C1(C#N)CCCCC1 by adding a benzene ring.,CN(C(=O)C[NH+]1CCN(Cc2ccccn2)C(c2ccccc2)C1)C1(C#N)CCCCC1
SubComponent,Please substitute a CN(C(=O)CCC1CCCC([NH3+])C1)C(C)(C)CO in the molecule hydroxyl with a carboxyl.,CN(C(=O)CCC1CCCC([NH3+])C1)C(C)(C)CC(=O)[OH]
DelComponent,Please remove a benzene ring from the molecule O=C(OCC1=C2CC3CC(C2)CC1C3)c1ccc(S(=O)(=O)[O-])cc1.,O=C(OCC1=C2CC3CC(C2)CC1C3)S(=O)(=O)[O-]
LogP,Modify the molecule N#Cc1ccc(N2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)o3)CC2)cc1 to have a lower LogP value.,N#CN1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)CC1
MR,Modify the molecule OCC1CCCN1c1cc(N2CCCC(C[NH+]3CCCCCC3)C2)ncn1 to have a higher MR value.,CC(=O)CC1CCCN1c1cc(N2CCCC(C[NH+]3CCCCCC3)C2)ncn1
QED,Optimize the molecule CC(Oc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)NC2CCCC2)c(F)c1)C(=O)[O-] to have a lower QED value.,CC(Oc1ccc(C(F)(F)F)cc1-c1cc(F)c(C(=O)NC2CCCC2)cc1-c1ccccc1)C(=O)[O-]
AtomNum,"Please generate a molecule with 17 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 2 bromine atoms.",CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1NC2c1cc(O)ccc1Br
BondNum,"There is a molecule composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",COc1cccc(-c2cc3nc(OC)nc(OC)c3c(=O)o2)c1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 1 amide group.",CCCOc1ccc(-c2nonc2NC(=O)COc2ccccc2OC)cc1
AddComponent,Add a benzene ring to the molecule CC(C)(C)NC(=O)CC([NH3+])C(=O)[O-].,CC(C)(Cc1ccccc1)NC(=O)CC([NH3+])C(=O)[O-]
SubComponent,Modify the molecule halo by substituting a CCC[NH+]1CCCN(C(=O)COc2ccc(F)cc2F)CC1 with a carboxyl.,CCC[NH+]1CCCN(C(=O)COc2ccc(C(=O)[OH])cc2F)CC1
DelComponent,Please remove a amide from the molecule CNC(=O)C[NH+]1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1.,C[NH+]1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1
LogP,Modify the molecule COC(=O)Cc1cnc(C2CCCCC2)nc1Cl to decrease its LogP value.,CC(=O)c1nc(C2CCCCC2)ncc1CC(=O)OC
MR,Modify the molecule O=PC(CO)C(=O)N1CC=C(c2ccc(N3CC(COc4ccon4)OC3=O)cc2F)CC1 to have a higher MR value.,O=PC(CO)C(=O)N1CC=C(c2ccc(N3CC(COc4ccon4)OC3=O)cc2)CC1
QED,Modify the molecule CC1CC(Br)CN1C(=O)c1ccncc1 to have a lower QED value.,CC1CC(C#N)CN1C(=O)c1ccncc1
AtomNum,"There is a molecule composed of 29 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",C=Cc1cccc(C(=O)C=CNc2cc(C=Cc3cc(OC)c(OC)c(OC)c3)cc(Cl)c2OC)c1
BondNum,"There is a molecule composed of 34 single bonds, 6 double bonds, 8 rotatable bonds, and 11 aromatic bonds.",CC(C)CC1NC(=O)CC(c2ccccc2)NC(=O)C(C)NC(=O)C2CC(NC(=O)CSc3nccn3C)CN2C(=O)C(CO)NC1=O
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, and 1 nitrile group.",CC1CCC(C#N)(C2(O)CCC[NH+](C)CC2)C1
AddComponent,Modify the molecule COc1ccc(-c2nc(NCc3ccccc3Cl)n(C(=O)c3ccccc3OC)n2)cc1 by adding a carboxyl.,COc1ccccc1C(=O)n1nc(-c2ccc(OCC(=O)O)cc2)nc1NCc1ccccc1Cl
SubComponent,Modify the molecule halo by substituting a CC(=O)C(Cl)CCC(Cl)(Cl)CO[SiH3] with a aldehyde.,CC(=O)C(CCC(Cl)(Cl)CO[SiH3])C(C)=O
DelComponent,Remove a halo from the molecule C[NH2+]C(CCOCC(F)F)C1=CCCCC1.,C[NH2+]C(CCOCCF)C1=CCCCC1
LogP,Modify the molecule Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C(Cc2ccccc2)C(=O)NC(C)C)c2cc(C)cc(C)c2)cc1 to have a lower LogP value.,Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(F)cc2)C(Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2N)c1
MR,Optimize the molecule C[NH2+]CC(CCCOCC(F)(F)F)c1ccc(C)cc1 to have a lower MR value.,C[NH2+]CC(CCCOCC(F)F)c1ccc(C)cc1
QED,Please optimize the molecule CC(=NO)c1ccccc1OCc1ccnc(C#N)c1 to have a lower QED value.,CC(=NO)OCc1ccnc(C#N)c1
AtomNum,"There is a molecule consisting of 20 carbon atoms, and 3 oxygen atoms.",CCC1OC1CC=CCCC=CC=CCC=CCCCC(=O)[O-]
BondNum,"Please generate a molecule composed of 5 single bonds, and 21 aromatic bonds.",Oc1c(O)c(O)c2c(O)c3cc4ccccc4cc3cc2c1O
FunctionalGroup,"There is a molecule with 1 benzene ring group, 4 amine groups, 1 halo group, and 1 sulfone group.",CCS(=O)(=O)NCCCNC(NCCc1cccc(F)c1)=[NH+]C
AddComponent,Please add a hydroxyl to the molecule COc1c(C2=CCc3cc(NS(C)(=O)=O)ccc3O2)cc(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C.,COc1c(C2=CCc3cc(NS(C)(=O)=O)ccc3O2)cc(-c2cccnc2OCc2ccccc2)cc1C(C)(C)CO
SubComponent,Please substitute a Fc1cccc(Cl)c1C1Oc2ccccc2C2CC(c3ccc(Br)cc3)=NN21 in the molecule halo with a carboxyl.,O=C([OH])c1cccc(Cl)c1C1Oc2ccccc2C2CC(c3ccc(Br)cc3)=NN21
DelComponent,Please remove a halo from the molecule C[NH2+]C(c1occc1Br)C1(N2CCOCC2)CCCC1.,C[NH2+]C(c1ccco1)C1(N2CCOCC2)CCCC1
LogP,Optimize the molecule O=C(C[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCC2CCCCC2C1 to have a higher LogP value.,CC(=O)c1ccccc1S(=O)(=O)N1CC[NH+](CC(=O)N2CCC3CCCCC3C2)CC1
MR,Modify the molecule Cc1cc(Nc2ccc(N)cc2)n2ncnc2c1 to have a higher MR value.,Cc1cc(Nc2ccc(N)cc2N)n2ncnc2c1
QED,Modify the molecule Cc1cc(NC(=O)N2CC(C)(c3ccccc3)C(c3ccc(C(F)(F)F)c(Cl)c3)=N2)ccc1C(F)(F)F to increase its QED value.,Cc1cc(NC(=O)N2CC(C)(c3ccccc3)C(c3ccc(C(F)(F)C#N)c(Cl)c3)=N2)ccc1C(F)(F)F
AtomNum,"The molecule has 16 carbon atoms, and 5 oxygen atoms.",O=C([O-])C(O)c1ccc(-c2ccc(OCCO)cc2)cc1
BondNum,"The molecule contains 11 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)[NH2+]Cc1c(CO)cc(Cl)c(N)c1Cl
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, and 1 sulfone group.",CCCOc1cccc(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)c1
AddComponent,Add a carboxyl to the molecule Cc1ccccc1OCCOC(=O)CCc1nc(=O)c2ccccc2[nH]1.,Cc1ccccc1OCCOC(=O)CCc1nc(=O)c2cc(C(=O)O)ccc2[nH]1
SubComponent,Please substitute a hydroxyl in the molecule CCOc1ccccc1N1CC[NH+](CC(O)CN2CCCC2=O)CC1 with a thiol.,CCOc1ccccc1N1CC[NH+](CC(S)CN2CCCC2=O)CC1
DelComponent,Modify the molecule amide by removing a CN(Cc1ccccc1)C(=O)CC1CCCO1.,CC(c1ccccc1)C1CCCO1
LogP,Modify the molecule COc1ccccc1NS(=O)(=O)c1cc(-c2noc(C)n2)sc1C to decrease its LogP value.,CONS(=O)(=O)c1cc(-c2noc(C)n2)sc1C
MR,Modify the molecule CC[NH+](CC)C(CC)(CC)C(=O)c1ccc(C)c(Cl)c1 to increase its MR value.,CC[NH+](CC)C(CC)(CC)C(=O)c1ccc(C)c(C(=O)[OH])c1
QED,Optimize the molecule CCOc1ccc(CC(=O)N(CC2CCCO2)c2nc3c(C)ccc(Cl)c3s2)cc1 to have a higher QED value.,CCOc1ccc(CC(=O)N(CC2CCCO2)c2nc3c(C)ccc(O)c3s2)cc1
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COc1cc(Cc2cc(-n3cc(C)c4c3CC(C)(C)CC4=O)ccc2C(N)=O)cc(OC)c1OC
BondNum,"There is a molecule with 12 single bonds, 3 double bonds, 1 triple bond, 5 rotatable bonds, and 11 aromatic bonds.",COCCN1C(=O)SC(=Cc2ccc(-c3ccc(C#N)cc3)o2)C1=O
FunctionalGroup,"The molecule is composed of 1 amide group, and 3 sulfide groups.",CCCCCCCCn1c(=C2SC(=S)N(CC(=O)[O-])C2=O)sc(=CC=C2Sc3ccccc3N2CC)c1=O
AddComponent,Modify the molecule Cc1cnc(C[NH2+]CC2CCCOC2)cn1 by adding a hydroxyl.,OCc1cnc(C[NH2+]CC2CCCOC2)cn1
SubComponent,Substitute a ClCCCCCCCCCC[Si](Cl)Cl in the molecule halo with a nitrile.,N#CCCCCCCCCCC[Si](Cl)Cl
DelComponent,Modify the molecule benzene ring by removing a N#Cc1ccc(N2CC[NH+](C3C=C(c4cn5cccc5c(=O)[nH]4)CC3)CC2)cc1.,N#CN1CC[NH+](C2C=C(c3cn4cccc4c(=O)[nH]3)CC2)CC1
LogP,Please optimize the molecule COCOC(C(=O)C#Cc1ccccc1)C(O)c1ccc(C(F)(F)F)cc1 to have a lower LogP value.,COCOC(C(=O)C#Cc1ccccc1)C(NO)c1ccc(C(F)(F)F)cc1
MR,Please modify the molecule O=S(=O)(c1cccnc1)N(Cc1ccccc1)c1ccccc1 to decrease its MR value.,CN(c1ccccc1)S(=O)(=O)c1cccnc1
QED,Please modify the molecule CCOC(=O)N1CC=C(c2cccn3nc(Nc4ccc(C(=O)N5CC[NH+](C6CC6)CC5)cc4)nc23)CC1 to decrease its QED value.,CCOC(=O)N1CC=C(c2cccn3nc(Nc4ccc(C(=O)N5CC[NH+](C6CC6CC=O)CC5)cc4)nc23)CC1
AtomNum,"There is a molecule composed of 27 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",Cc1ncc(-c2ccc3c(c2)CN(c2ncnc4c2CC(C)(C)CC4)CCO3)cc1S(=O)(=O)NCC(F)(F)F
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",FC1=C(c2ccccc2)CCC(F)(F)C1(F)F
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 halo group.",Cc1ccc(C=C=Cc2ccc(Cl)cc2)cc1
AddComponent,Modify the molecule CC(C)([NH3+])CC(P(=O)([O-])[O-])P(=O)([O-])[O-] by adding a benzene ring.,CC(C)([NH3+])C(c1ccccc1)C(P(=O)([O-])[O-])P(=O)([O-])[O-]
SubComponent,Substitute a CC1c2ccc(-c3cc4ccccc4o3)c(O)c2C([O-])=C2C(=O)C3(O)C(=O)C(C(N)=O)=C(Br)C([NH+](C)C)C3C(O)C21 in the molecule halo with a hydroxyl.,CC1c2ccc(-c3cc4ccccc4o3)c(O)c2C([O-])=C2C(=O)C3(O)C(=O)C(C(N)=O)=C(O)C([NH+](C)C)C3C(O)C21
DelComponent,Modify the molecule amine by removing a CC(C)(C)OC(=O)N1CCCC(COc2cnc3cc(N)ccc3n2)C1.,CC(C)(C)OC(=O)N1CCCC(COc2cnc3ccccc3n2)C1
LogP,Modify the molecule COc1cc(F)ccc1NC(=O)CCc1c[nH]c2ccccc12 to decrease its LogP value.,COc1ccccc1NC(=O)CCc1c[nH]c2ccccc12
MR,Please optimize the molecule CCOC(=O)CC(NCc1ccccc1)C(F)(F)F to have a higher MR value.,CC(O)OC(=O)CC(NCc1ccccc1)C(F)(F)F
QED,Modify the molecule NC(N)=[NH+]CCCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C([NH3+])Cc1ccccc1)C(=O)NCC(=O)[O-] to increase its QED value.,NC(N)=[NH+]CCCC(NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])Cc1ccccc1)C(=O)NCC(=O)[O-]
AtomNum,"The molecule is composed of 17 carbon atoms, 6 oxygen atoms, and 5 nitrogen atoms.",N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1
BondNum,"The molecule consists of 12 single bonds, 1 double bond, 7 rotatable bonds, and 22 aromatic bonds.",Cc1cc(OC(=O)NCc2ccc(C[NH3+])cc2)c(C)n1Cc1csc(-c2ccccc2)n1
FunctionalGroup,"The molecule has 3 benzene ring groups, and 8 halo groups.",C#CC#CC#CC#CC#COc1cc(C(Cl)c2ccc(C(F)(F)F)cc2)c(OC)cc1C(Cl)c1ccc(C(F)(F)F)cc1
AddComponent,Modify the molecule CCCc1nc2c(n1-c1cc(C)ccc1OC)CC[NH2+]C2 by adding a hydroxyl.,CCCc1nc2c(n1-c1cc(C)ccc1OC)C(O)C[NH2+]C2
SubComponent,Modify the molecule CCCCc1cc(NC)nc(C(F)(F)F)n1 by substituting a halo with a thiol.,CCCCc1cc(NC)nc(C(F)(F)S)n1
DelComponent,Please remove a C[NH+](C)CCCCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(Cl)cn3)cc2)cc1[N+](=O)[O-] from the molecule nitro.,C[NH+](C)CCCCC(CSc1ccccc1)Nc1(O[O-])ccc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(Cl)cn3)cc2)c-1
LogP,Please modify the molecule Cn1nc(-c2ccoc2Br)nc1SCC(=O)[O-] to decrease its LogP value.,Cn1nc(-c2ccoc2O)nc1SCC(=O)[O-]
MR,Please optimize the molecule C=C(C)CC(NN)c1ccc(Cl)c(F)c1 to have a lower MR value.,C=C(C)CC(NN)c1ccc(C#N)c(F)c1
QED,Optimize the molecule CCOc1cccc(C2C(=C([O-])c3ccc(Cl)c(Cl)c3)C(=O)C(=O)N2c2cccc(Cl)c2C)c1 to have a lower QED value.,CCOc1cccc(C2C(=C([O-])c3ccc(S)c(Cl)c3)C(=O)C(=O)N2c2cccc(Cl)c2C)c1
AtomNum,"There is a molecule with 23 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CCCCCC(C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1
BondNum,"The molecule consists of 15 single bonds, 1 double bond, 1 triple bond, 10 rotatable bonds, and 12 aromatic bonds.",COc1cccc(CCNC(=O)CC#N)c1OCCOc1cc(C)ccc1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 3 halo groups, and 1 sulfide group.",CC([NH2+]Cc1c(F)cccc1F)c1ccc(Cl)s1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(C)c(Cl)c2)cc1.,Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2CO)c2ccc(C)c(Cl)c2)cc1
SubComponent,Modify the molecule hydroxyl by substituting a COc1ccccc1C=CC(=O)Nc1ccc(O)cc1C with a thiol.,COc1ccccc1C=CC(=O)Nc1ccc(S)cc1C
DelComponent,Modify the molecule amide by removing a CC[NH+](CC)CC(C)NC(=O)CC1CCC([NH3+])CC1.,CC[NH+](CC)CC(C)C1CCC([NH3+])CC1
LogP,Optimize the molecule COCCOCCC[NH2+]CCCC(C)CO to have a higher LogP value.,COCCOCCC[NH2+]C(CCC(C)CO)c1ccccc1
MR,Modify the molecule CN(C)c1ccc(OC2CCN(C(=O)CCC3CCCC3)C2)nn1 to have a lower MR value.,CN(C)c1ccc(OC2CCC2CC2CCCC2)nn1
QED,Please optimize the molecule CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C=Cc1ccccc1OC(F)F to have a lower QED value.,CC(=O)C(F)Oc1ccccc1C=CC(=O)N1CCc2cc(S(=O)(=O)NC)ccc21
AtomNum,"The molecule contains 18 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",CNc1nc(C2CCN(S(=O)(=O)N3CCCCC3)C2)nc2c1C[NH+](C)CC2
BondNum,"The molecule has 34 single bonds, 5 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CNC(=O)c1cccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCC(C)CC4)ccc3Cl)CC2)C(C)C)c1C
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 2 amine groups, and 4 halo groups.",Nc1oc2c(-c3cc(Cl)cc(Cl)c3)ncc(-c3ccc(F)c(Cl)c3)c2c1N
AddComponent,Please add a hydroxyl to the molecule CCOC(=O)CCNc1nc2ccc(Cl)cc2s1.,CCOC(=O)C(O)CNc1nc2ccc(Cl)cc2s1
SubComponent,Substitute a halo in the molecule Cc1ccc(C[NH2+]CC(C)(C)C(C)C)cc1Cl with a thiol.,Cc1ccc(C[NH2+]CC(C)(C)C(C)C)cc1S
DelComponent,Remove a Cc1cc(C(=O)N2CC[NH2+]CC2)c(C)n1-c1cccc(Br)c1 from the molecule amide.,Cc1cC2C[NH2+]CCc2(C)n1-c1cccc(Br)c1
LogP,Optimize the molecule CCC(C)N(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C(=O)Nc1ccc(C)cc1 to have a lower LogP value.,CCC(C)N(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C(=O)NC
MR,Please optimize the molecule Nc1ccnc(NCc2ccccc2Cl)n1 to have a lower MR value.,Nc1ccnc(NCc2ccccc2O)n1
QED,Optimize the molecule CC(=O)N1C=Cc2ccccc2C1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 to have a lower QED value.,CC(=O)N1C=Cc2ccccc2C1CC(=O)N1CCN(c2ccc(NO)cc2)CC1
AtomNum,"There is a molecule with 55 carbon atoms, and 1 sulfur atom.",CC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccccc34)ccc2-c2cc3c(cc21)sc1ccc2ccccc2c13
BondNum,"The molecule consists of 12 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCC(C[NH3+])N1CCN(c2cccnn2)CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 halo group, 1 thioether group, and 1 sulfide group.",CSC=Cc1ccccc1Cl
AddComponent,Please add a nitrile to the molecule COCCNC(=O)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C1.,COCCNC(=O)CS(=O)(=O)C1CN(S(=O)(=O)c2c(C#N)cccc2C(F)(F)F)C1
SubComponent,Modify the molecule O=C(CCCc1cccc(C2(C(=O)OC3C[NH+]4CCC3CC4)CCCCC2)c1)Nc1ncc(C[NH2+]CC(O)c2ccc(O)c3[nH]c(=O)ccc23)s1 by substituting a hydroxyl with a aldehyde.,CC(=O)C(C[NH2+]Cc1cnc(NC(=O)CCCc2cccc(C3(C(=O)OC4C[NH+]5CCC4CC5)CCCCC3)c2)s1)c1ccc(O)c2[nH]c(=O)ccc12
DelComponent,Please remove a benzene ring from the molecule CCCc1ncc(-c2cc(C)no2)c(C2CCCCN2C(=O)c2ccccc2F)n1.,CCCc1ncc(-c2cc(C)no2)c(C2CCCCN2C(=O)F)n1
LogP,Modify the molecule O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1n[nH]c(=O)o1 to decrease its LogP value.,O=C(Nc1ccccc1-c1n[nH]c(=O)o1)NC(F)(F)F
MR,Please modify the molecule CC1CCN(c2ncnc3c2cnn3C)C1CBr to decrease its MR value.,CC1CCN(c2ncnc3c2cnn3C)C1CO
QED,Modify the molecule C[NH+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC1CC2CCC1O2 to have a lower QED value.,C[NH+]=C(NCC(=O)N1CCNC(=O)C1)NC1CC2CCC1O2
AtomNum,"The molecule consists of 17 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",CCCC(=O)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C
BondNum,"There is a molecule consisting of 14 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",Cc1nc(NCC2COCCO2)c2c3c(sc2n1)CCC3
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, and 2 halo groups.",Clc1nc(NCc2ccccc2)nn2c(Br)ccc12
AddComponent,Add a hydroxyl to the molecule O=C(COC(=O)c1ccc(OCC2CCCO2)cc1)NCCc1cccc(Cl)c1.,O=C(COC(=O)c1ccc(OCC2CCCO2)c(O)c1)NCCc1cccc(Cl)c1
SubComponent,Please substitute a halo in the molecule Cc1nc(C[NH2+]Cc2c(Cl)oc3ccccc23)no1 with a nitrile.,Cc1nc(C[NH2+]Cc2c(C#N)oc3ccccc23)no1
DelComponent,Remove a amine from the molecule CCOC(=O)C(CCCCNS(=O)(=O)c1ccc(C)cc1)NS(=O)(=O)c1ccc(F)cc1.,CCOC(=O)C(CCCCS(=O)(=O)c1ccc(C)cc1)NS(=O)(=O)c1ccc(F)cc1
LogP,Optimize the molecule C[NH+]=C(NCC1CCCOC1C(C)(C)C)NCC(C)[NH+]1CCN(C)CC1 to have a higher LogP value.,C[NH+]=C(CC1CCCOC1C(C)(C)C)NCC(C)[NH+]1CCN(C)CC1
MR,Please optimize the molecule CC1C2CC(CCCCC3CCCCC3)C(C2)C1C to have a higher MR value.,CC1C(C)C2C(CCCCC3CCCCC3)CC1C2C(=O)O
QED,Optimize the molecule CCc1ncc(-c2nn(C)c(=O)o2)cc1-c1ccc(NCc2c(F)cncc2F)cc1 to have a lower QED value.,CCc1ncc(-c2nn(C)c(=O)o2)cc1-c1ccc(NCc2c(F)cnc(O)c2F)cc1
AtomNum,"The molecule has 25 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",COc1ncn2cc(CC3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)[nH+]c2c1C
BondNum,"There is a molecule with 23 single bonds, 2 double bonds, 5 rotatable bonds, and 10 aromatic bonds.",BP(C)OC(=O)C1=C(C[n+]2cccc3c2ncn3C2CCCC2)CSC2C(C)C(C)N12
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 amine groups, 2 halo groups, 1 thioether group, and 1 sulfide group.",CSC(Nc1cc(Cl)cc(Cl)c1)=[NH+]C1CCCCCCC1
AddComponent,Modify the molecule COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)cc1 by adding a benzene ring.,COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2c2ccccc2)cc1
SubComponent,Substitute a halo in the molecule CC(C)C(C)NC(=O)COc1c(Cl)cc(Cl)cc1CO with a nitro.,CC(C)C(C)NC(=O)COc1c(CO)cc(Cl)cc1NO
DelComponent,Remove a amide from the molecule Cc1[nH]c(=S)sc1CC(=O)N1CCCC1C[NH+](C)C.,Cc1[nH]c(=S)sc1C1(C[NH+](C)C)CCC1
LogP,Modify the molecule Cc1ccc(C(C)NS(=O)(=O)c2c(C)ccc(C)c2N)s1 to have a higher LogP value.,Cc1ccc(C)c(S(=O)(=O)NC(C)c2cc(-c3ccccc3)c(C)s2)c1N
MR,Modify the molecule Cc1cccc(C(=O)N2CCc3cccc(N)c3C2)c1F to have a higher MR value.,CC(=O)c1c(C)cccc1C(=O)N1CCc2cccc(N)c2C1
QED,Modify the molecule CC[NH2+]CC(=O)N1CCCC(CC(=O)[O-])C1 to have a lower QED value.,CC[NH2+]CC(=O)N1CC(CC(=O)[O-])CCC1O
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 10 oxygen atoms, and 6 nitrogen atoms.",CCOCCOCCCNC(=O)CCC(NC(=O)CN1CCN(CC)CCN(CC(=O)[O-])CC[NH+](CC(=O)[O-])CC1)C(=O)[O-]
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 6 rotatable bonds, and 21 aromatic bonds.",CC(C)(C)n1[nH]cc2c(=O)nc(NCc3ccc(OCc4ccccc4F)cc3)nc1-2
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amine group, 2 nitro groups, and 1 nitrile group.",N#Cc1cc([N+](=O)[O-])c(Nc2ccccc2)c([N+](=O)[O-])c1
AddComponent,Please add a benzene ring to the molecule O=C([O-])Cc1cn(Cc2ccno2)c2ccccc12.,O=C([O-])Cc1cn(C(c2ccccc2)c2ccno2)c2ccccc12
SubComponent,Please substitute a halo in the molecule Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1NC(=O)CNC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)Nc3cc(F)ccc3F)ccc2C)CC1 with a nitrile.,Cc1ccc(C(=O)Nc2ccc(C#N)cc2F)cc1NC(=O)CNC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)Nc3cc(F)ccc3F)ccc2C)CC1
DelComponent,Please remove a halo from the molecule [NH3+]CCC1=CCCc2cc(F)c(Br)cc21.,[NH3+]CCC1=CCCc2cc(F)ccc21
LogP,Please modify the molecule CC(C)(C)[Si](C)(C)OCC(C=O)C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(I)OC(=O)c1ccccc1 to increase its LogP value.,CC(C)(C)[Si](C)(C)OCC(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(I)OC(=O)c1ccccc1
MR,Please optimize the molecule COc1ccc(S(=O)(=O)N2CCCC2c2nc(-c3ccc(Cl)cc3)no2)cc1 to have a higher MR value.,COc1ccc(S(=O)(=O)N2CCCC2(O)c2nc(-c3ccc(Cl)cc3)no2)cc1
QED,Optimize the molecule COc1ccccc1-n1nc(C(=O)[O-])c(C(Nc2cccc(Cl)c2F)c2ccc(Cl)cc2C)c1C(C)C to have a lower QED value.,COc1ccccc1-n1nc(C(=O)[O-])c(C(Nc2cccc(S)c2F)c2ccc(Cl)cc2C)c1C(C)C
AtomNum,"There is a molecule composed of 20 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC1CCC(CO)CC1
BondNum,"There is a molecule composed of 19 single bonds, 1 double bond, 9 rotatable bonds, and 6 aromatic bonds.",CCCC(C)CC(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfone group.",C=C(C)CN(CC)C(=O)c1ccccc1S(=O)(=O)Cl
AddComponent,Please add a benzene ring to the molecule CCCCC(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)[NH2+]C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NC(CCCC[NH3+])C(=O)N1CCCC1C(=O)NC(C(N)=O)C(C)C.,CCCCC(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)([NH2+]C)c1ccccc1)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NC(CCCC[NH3+])C(=O)N1CCCC1C(=O)NC(C(N)=O)C(C)C
SubComponent,Please substitute a Cc1cc(C(=O)Nc2ccc(Cl)c(F)c2)ccc1Br in the molecule halo with a aldehyde.,CC(=O)c1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1F
DelComponent,Please remove a COCCC([NH2+]C(C)C)c1ccc(F)cc1 from the molecule benzene ring.,COCCC(F)[NH2+]C(C)C
LogP,Please modify the molecule CCC(C)(O)CNc1ccc([N+](=O)[O-])nc1 to increase its LogP value.,CCC(C)(O)CNc1cnc([N+](=O)[O-])cc1-c1ccccc1
MR,Please modify the molecule CC(=O)c1ccc(NC(=O)CN2CCCCC2=O)cc1 to decrease its MR value.,CC(=O)NC(=O)CN1CCCCC1=O
QED,Please modify the molecule CCCN1C(=O)C(=Cc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)SC1=S to decrease its QED value.,CC(=O)c1ccc(N(C(C)=O)c2nc(C=C3SC(=S)N(CCC)C3=O)cs2)c(F)c1
AtomNum,"The molecule is composed of 21 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N(C)Cc3c(C)noc3C)CCCC2)c1
BondNum,"The molecule has 15 single bonds, 3 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",CC(C)Cn1c(N)c(C(=O)CSc2[nH+]cc(-c3ccccc3)n2CC(F)(F)F)c(=O)[nH]c1=O
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 1 halo group, 1 thioether group, and 1 sulfide group.",O=C(CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)NC(=O)NCc1ccco1
AddComponent,Please add a carboxyl to the molecule CC(C)Oc1cccc(C(Cl)Cc2ccccc2F)c1.,CC(C)Oc1ccc(C(=O)O)c(C(Cl)Cc2ccccc2F)c1
SubComponent,Modify the molecule O=C(CN(C(=O)Nc1ccccc1C(F)(F)F)C1CC1)N1CC(=O)N(c2ccc(F)cc2)C1 by substituting a halo with a carboxyl.,O=C(CN(C(=O)Nc1ccccc1C(F)(F)C(=O)[OH])C1CC1)N1CC(=O)N(c2ccc(F)cc2)C1
DelComponent,Please remove a hydroxyl from the molecule CC(O)c1cc(Br)ccc1OCCc1ccccn1.,CCc1cc(Br)ccc1OCCc1ccccn1
LogP,Optimize the molecule Cc1ccc(N2CCC([NH+]3CCOC(C(=O)[O-])C3)CC2)cc1Cl to have a lower LogP value.,O=C([O-])C1C[NH+](C2CCN(c3ccc(CO)c(Cl)c3)CC2)CCO1
MR,Please optimize the molecule COCC1(CNS(=O)(=O)c2ccccc2Cl)CCC[NH2+]1 to have a lower MR value.,COCC1(CS(=O)(=O)c2ccccc2Cl)CCC[NH2+]1
QED,Modify the molecule Cc1ncc([N+](=O)[O-])n1CC(=O)NN=Cc1cc2ccccc2nc1Oc1ccc(Cl)cc1 to have a higher QED value.,Cc1ncc([N+](=O)[O-])n1CC(=O)NN=Cc1cc2ccccc2nc1Oc1ccc(O)cc1
AtomNum,"Please generate a molecule with 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc([N+]2([O-])CCN(C)CC2)c2c(=O)c3ccc(Cl)cc3sc12
BondNum,"There is a molecule composed of 11 single bonds, 4 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(Br)c(S(=O)(=O)NC2CS(=O)(=O)CC2C)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, and 2 halo groups.",O=C([O-])c1cc(F)c(NCC2CC2)c(F)c1
AddComponent,Modify the molecule COc1ccc(C=CC(=O)OC2CCC34CC35CCC36C(C)C(CCC=C(C)C)C3CCC6(C)C5CCC4C2(C)C)cc1OC by adding a benzene ring.,COc1ccc(C=CC(=O)OC2CCC34CC35CCC36C(C)C(CCC=C(C)C)(c7ccccc7)C3CCC6(C)C5CCC4C2(C)C)cc1OC
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)CC(C)(C)C(O)OC1CCC(C(C)(C)C(C)(C)C)CC1 with a nitro.,CC(C)CC(C)(C)C(NO)OC1CCC(C(C)(C)C(C)(C)C)CC1
DelComponent,Modify the molecule benzene ring by removing a COCc1csc(CSc2cccc(C)c2)n1.,COCc1csc(CSC)n1
LogP,Please modify the molecule O=S(=O)(O[Se]c1c(C2CCCO2)cccc1C1CCCO1)C(F)(F)F to decrease its LogP value.,O=S(=O)(O[Se]c1c(C2CCCO2)cccc1C1CCCO1)C(F)(F)S
MR,Please modify the molecule O=C(NC1CCCC1)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 to decrease its MR value.,Fc1cccc(-c2cc(N3CCC(C4CCCC4)C3)ncn2)c1
QED,Modify the molecule OC(CC1CC1)c1ccccc1Br to have a lower QED value.,OC(Br)CC1CC1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 3 sulfur atoms, and 1 chlorine atom.",CN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(Cl)s1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",O=CNCc1ccccc1SC(F)(F)F
FunctionalGroup,The molecule contains and 1 benzene ring group.,CC[NH2+]Cc1cc(C)ccc1OCc1cnoc1
AddComponent,Please add a hydroxyl to the molecule CCc1ccc(NC(=O)c2ccncc2)c(C(=O)[O-])c1.,CCc1ccc(NC(=O)c2ccncc2)c(C(=O)[O-])c1O
SubComponent,Please substitute a nitrile in the molecule CCCOCCOCCOc1ccc(C#N)cc1 with a nitro.,CCCOCCOCCOc1ccc(NO)cc1
DelComponent,Modify the molecule CCC(C)C([NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(CO)C(=O)NC(C(=O)[O-])C(C)CC by removing a hydroxyl.,CCC(C)C([NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(C)C(=O)NC(C(=O)[O-])C(C)CC
LogP,Please modify the molecule CCCC(C)[NH+](C)CCCOc1ccccc1C#N to increase its LogP value.,CCCC(C)[NH+](C)CCCOc1ccccc1
MR,Modify the molecule CC(C)C(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C(=O)NC(CO)C(=O)[O-])C(C)C to decrease its MR value.,CC(C)C(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C)(C)C(CO)C(=O)[O-]
QED,Modify the molecule CC1(CNC(=O)N2CC[NH+]3CCC2CC3)CCOCC1 to increase its QED value.,CC1(CNC(=O)N2CC(c3ccccc3)[NH+]3CCC2CC3)CCOCC1
AtomNum,"The molecule consists of 20 carbon atoms, 1 oxygen atom, 1 chlorine atom, and 1 silicon atom.",CCCCCCCC([Si]Oc1ccc(Cl)cc1)(C(C)C)C(C)C
BondNum,"There is a molecule consisting of 5 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",C[NH2+]C(c1ccc(F)cc1)c1ccnnc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 nitrile group, and 1 sulfone group.",Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)c(C)c1
AddComponent,Please add a benzene ring to the molecule Cc1cc(Cl)ccc1SC(N)=S.,NC(=S)Sc1ccc(Cl)cc1Cc1ccccc1
SubComponent,Substitute a nitrile in the molecule CCCC(=O)NCC1CCCN(c2cc(C(C)=O)ccc2C#N)C1 with a nitro.,CCCC(=O)NCC1CCCN(c2cc(C(C)=O)ccc2NO)C1
DelComponent,Remove a halo from the molecule CCC(C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1.,CCC(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1
LogP,Modify the molecule CCCCCCCCCCCCCCCCCCc1cc(O)c(C(=O)[O-])cc1O to have a lower LogP value.,CCCCCCCCCCCCCCCCCCOOC(=O)[O-]
MR,Please modify the molecule CCCCc1ccc(C(=O)NC(C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)C(C)C)cc1 to increase its MR value.,CCCCc1ccc(C(=O)NC(C(=O)N2CCN(c3ncccc3C(F)(F)C#N)CC2)C(C)C)cc1
QED,Modify the molecule CC[NH+](CCn1c(CCCl)nc2ccc(Cl)cc21)C1CC1 to increase its QED value.,CCc1nc2ccc(Cl)cc2n1CC[NH+](CC)C1CC1
AtomNum,"The molecule contains 17 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCCCCCCCn1c(C)nc2ccc(C(=O)[O-])cc21
BondNum,"There is a molecule composed of 24 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",CC[NH+]1CCCCC1C(=O)N1CCCC(c2n[nH]c(C3CCCCC3)n2)C1
FunctionalGroup,"Please generate a molecule composed of 1 halo group, and 1 sulfone group.",CS(=O)(=O)N(CC(=O)Cl)c1cccc2ccccc12
AddComponent,Add a benzene ring to the molecule CC1(c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)C=Cc2nc3c4ccccc4sc3n2C1.,CC1(c2cccc(P(=O)(c3ccccc3)c3cccc(-c4ccccc4)c3)c2)C=Cc2nc3c4ccccc4sc3n2C1
SubComponent,Modify the molecule Cc1cccc(C(=O)Nc2ccccc2OCCc2ccccc2)c1I by substituting a halo with a nitrile.,Cc1cccc(C(=O)Nc2ccccc2OCCc2ccccc2)c1C#N
DelComponent,Modify the molecule amide by removing a Cc1cc2ncc(C#N)c(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2n1.,Cc1cc2ncc(C#N)c(C3CCN(S(=O)(=O)c4cccs4)C3)n2n1
LogP,Modify the molecule CN(C)S(=O)(=O)c1c(Cl)ccc(NC2=C([NH2+]C(C)(C)C3CCCC3)C(=O)C2O)c1[O-] to have a higher LogP value.,CN(C)S(=O)(=O)c1c(Cl)ccc(NC2=C([NH2+]C(C)(C)C3CCCC3)C(=O)C2Cl)c1[O-]
MR,Optimize the molecule CCC1COCCN1c1c(C=CC(=O)[O-])c(C)nn1C to have a higher MR value.,CCC1COC(c2ccccc2)CN1c1c(C=CC(=O)[O-])c(C)nn1C
QED,Modify the molecule Cc1cc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)n(CC[NH+](C)C)n1 to decrease its QED value.,Cc1cc(C(=O)N2CCOC(Cl)C2)n(CC[NH+](C)C)n1
AtomNum,"There is a molecule composed of 25 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C(C)C)c(OC)c1
BondNum,"There is a molecule consisting of 16 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)C1c1ccccc1OC(C)C
FunctionalGroup,"The molecule is composed of 1 ketone group, and 1 amide group.",CN1C(=O)C(c2cncc(OC(C(=O)C3CC3)C3CC[NH2+]3)c2)Cc2ccccc21
AddComponent,Please add a carboxyl to the molecule C[NH2+]CC(C)(O)c1c(OC)cnn1C.,C[NH2+]C(C(=O)O)C(C)(O)c1c(OC)cnn1C
SubComponent,Substitute a COc1ccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)c5cccc(F)c5)CC4)n23)cc1 in the molecule halo with a nitro.,COc1ccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)c5cccc(NO)c5)CC4)n23)cc1
DelComponent,Modify the molecule halo by removing a CC(C)C1C[NH2+]CCC1c1ccc(F)cc1C(F)(F)F.,CC(C)C1C[NH2+]CCC1c1ccc(F)cc1C(F)F
LogP,Please modify the molecule Cc1ccc(NC(=O)Cn2c3c(sc2=O)C(c2cccs2)C2C(=O)N(c4ccccc4C(F)(F)F)C(=O)C2S3)cc1 to decrease its LogP value.,Cc1ccc(NC(=O)Cn2c3c(sc2=O)C(c2cccs2)C2C(=O)N(c4ccccc4C(F)F)C(=O)C2S3)cc1
MR,Modify the molecule COc1ccc(C(NC(=O)CCCCC(=O)[O-])C(F)(F)F)cc1 to increase its MR value.,COc1ccc(C(NC(=O)CCCCC(=O)[O-])C(F)(F)C#N)cc1
QED,Please optimize the molecule NC(=O)NCCCC(NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] to have a lower QED value.,NC(=O)NCCCC(NC(=O)Cc1csc(-c2ccc(O)cc2)n1)C(=O)[O-]
AtomNum,"There is a molecule with 17 carbon atoms, 8 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C(CO)C(=O)[O-])cc1
BondNum,"The molecule is composed of 23 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 16 aromatic bonds.",CC1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)c1ccc2[nH]ccc2c1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 3 halo groups.",CC[NH2+]C(c1ccc(Cl)c(F)c1)c1cc(C)c(Br)cc1C
AddComponent,Please add a hydroxyl to the molecule CNc1cc(COc2c(Br)cccc2OC)ccn1.,CNc1cc(COc2c(Br)cccc2OC)c(O)cn1
SubComponent,Please substitute a Cc1ccc(NC(=O)c2nnc(N)s2)cc1F in the molecule halo with a aldehyde.,CC(=O)c1cc(NC(=O)c2nnc(N)s2)ccc1C
DelComponent,Remove a hydroxyl from the molecule CC1CC=CC(O)C2OC(C)(C)OC2CC=Cc2cc(N(CC3COC(C)(C)O3)C(=O)OC(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c2C(=O)O1.,CC1CC=CCC2OC(C)(C)OC2CC=Cc2cc(N(CC3COC(C)(C)O3)C(=O)OC(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c2C(=O)O1
LogP,Modify the molecule CCCCCCCc1cc(O)c(-c2c(O)cc(CCCCCCC)cc2C(C)(C)C)c(C(C)(C)C)c1 to have a higher LogP value.,CCCCCCCc1cc(O)c(-c2c(I)cc(CCCCCCC)cc2C(C)(C)C)c(C(C)(C)C)c1
MR,Please optimize the molecule COc1ccc(C([O-])=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(Cl)cc2)cc1C(C)(C)C to have a lower MR value.,COc1ccc(C([O-])=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(O)cc2)cc1C(C)(C)C
QED,Modify the molecule CCN(CCN1C(=O)CSC1c1cccc(F)c1)C(=O)CC(C)C to have a lower QED value.,CCN(CCN1C(=O)CSC1c1cccc(NO)c1)C(=O)CC(C)C
AtomNum,"The molecule consists of 19 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",CN(C)c1nc(N2CCCC2)nc2c1CN(C(=O)c1ccccn1)CC2
BondNum,"The molecule is composed of 10 single bonds, 2 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CC(NC(=O)c1ccco1)C(=O)N(C)CCO
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 2 halo groups.",O=C(Cc1nnc(-c2cc(Cl)cc(Br)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
AddComponent,Please add a amine to the molecule COc1ccc(CCNC(=O)C2CC(c3ccccc3)CN(C(=O)COc3ccccc3)C2)cc1.,COc1ccc(CCNC(=O)C2CC(c3ccc(N)cc3)CN(C(=O)COc3ccccc3)C2)cc1
SubComponent,Please substitute a halo in the molecule CC(Cc1c(F)ccc(O)c1Cl)C(=O)[O-] with a nitro.,CC(Cc1c(NO)ccc(O)c1Cl)C(=O)[O-]
DelComponent,Please remove a COc1ccc(C=CC(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 from the molecule halo.,COc1ccc(C=CC(=O)NC(=S)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1
LogP,Optimize the molecule CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccncc4)C3c3cc(Br)c(O)c(OC)c3)sc2c1 to have a lower LogP value.,CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccncc4)C3c3cc(Br)c(C(=O)[OH])c(OC)c3)sc2c1
MR,Please optimize the molecule CCCOc1ccc(C=NNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc1[N+](=O)[O-] to have a lower MR value.,CCCOc1ccc(C=Nc2c(C)[nH]c(=O)[nH]c2=O)cc1[N+](=O)[O-]
QED,Modify the molecule COc1ccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccccc4C)c3)CC2)cc1NC(=O)c1ccccc1C to have a lower QED value.,COc1ccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)[OH])c(C(=O)Nc4ccccc4C)c3)CC2)cc1NC(=O)c1ccccc1C
AtomNum,"Please generate a molecule with 60 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",c1ccc(-n2c3ccccc3c3cccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccc8oc9ccccc9c8c7)c6c5)cc(-c5cccc6c5sc5ccccc56)c4)c32)cc1
BondNum,"The molecule has 10 single bonds, 2 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(CC(=CC(=O)c2ccccc2)Nc2cc(C)c(C)cc2N)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 hydroxyl group.",CC(CC[NH+](C)C)[NH2+]CC(C)(O)c1ccccc1
AddComponent,Add a aldehyde to the molecule C[NH2+]C(c1ccc(C)s1)C(OC)C1CCCCC1.,C[NH2+]C(c1ccc(C)s1)C(OC)C1CCCCC1CC=O
SubComponent,Please substitute a CC1CCCCN1C(C[NH3+])c1ccc(O)cc1O in the molecule hydroxyl with a thiol.,CC1CCCCN1C(C[NH3+])c1ccc(S)cc1O
DelComponent,Remove a halo from the molecule S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ncc(Br)cc1Cl.,S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ncccc1Cl
LogP,Modify the molecule COc1ccc(Oc2c(C)oc3cc(OCC(=O)Nc4ccccn4)ccc3c2=O)cc1 to have a higher LogP value.,COc1ccc(Oc2c(C)oc3cc(Oc4ccccn4)ccc3c2=O)cc1
MR,Please optimize the molecule CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCC to have a higher MR value.,CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(S)COP(=O)([O-])OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCC
QED,Modify the molecule O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)NC2CC[NH2+]C2)c1 to have a lower QED value.,Nc1cccc(CCNC(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]C3)c2)c1
AtomNum,"Please generate a molecule consisting 31 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C(C)=C(C#N)C1=O
BondNum,"Please generate a molecule with 11 single bonds, 4 double bonds, and 9 rotatable bonds.",C=CCC(CCC(CC=C)C(N)=O)C(N)=O
FunctionalGroup,The molecule is composed of and 2 sulfide groups.,CCCCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC)c5CC)C(CCCC)=C4C)c1c3C2CCC1C1=C2SC2=C(S1)C1CCC2c2c1c1cc3nc(cc4[nH]c(cc5nc(cc2[nH]1)C(C)=C5CCCC)c(CC)c4CC)C(CCCC)=C3C
AddComponent,Modify the molecule Cc1noc(C)c1-c1cc(F)c(-c2nc(C(=O)Nc3cnccc3C3CC(C)C(C)(O)C([NH3+])C3)ccc2F)c(F)c1 by adding a hydroxyl.,Cc1noc(C)c1-c1cc(F)c(-c2nc(C(=O)Nc3cnccc3C3CC(C)C(C)(O)C([NH3+])C3)cc(O)c2F)c(F)c1
SubComponent,Modify the molecule Cc1ccc(CNc2cccc(Cl)c2Cl)c(Cl)c1 by substituting a halo with a aldehyde.,CC(=O)c1cccc(NCc2ccc(C)cc2Cl)c1Cl
DelComponent,Modify the molecule halo by removing a N=c1n(CC(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc2ccccn12.,N=c1n(CC(=O)c2cccc([SH](F)(F)(F)F)c2)cc2ccccn12
LogP,Modify the molecule COC1(C(=O)N2CCN(c3ncnc4ccsc34)CC2)CC[NH2+]CC1 to increase its LogP value.,COC1CN(c2ncnc3ccsc23)CC1C1CC[NH2+]C1
MR,Modify the molecule COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 to have a higher MR value.,CC(=O)c1ccc(C(=O)OC)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl
QED,Modify the molecule CC1CCC2(CC1)NC(=O)N(CC(=O)NC(C)c1cccs1)C2=O to have a lower QED value.,CC1CCC2(CC1)NC(=O)N(CC(=O)NC(C)(N)c1cccs1)C2=O
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",O=CN1NC(C(F)(F)F)=CC1(O)c1ccc(Cl)cc1
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",O=C(Cc1ccccc1F)N1CC[NH+](Cc2cccc3cccnc23)CC1
FunctionalGroup,Please generate a molecule composed of and 2 benzene ring groups.,CCCCCCCCOP(=O)([O-])OP(=O)(Oc1ccccc1)Oc1ccccc1
AddComponent,Please add a benzene ring to the molecule CCC1C[NH+](Cc2ccc(N)c(Br)c2)CCO1.,CCC1C[NH+](Cc2ccc(N)c(Br)c2)C(c2ccccc2)CO1
SubComponent,Please substitute a halo in the molecule O=C(Nc1ccc(C(F)(F)F)cc1)N1CC2COC3=CC=CCC3C2[NH2+]1 with a carboxyl.,O=C(Nc1ccc(C(F)(F)C(=O)[OH])cc1)N1CC2COC3=CC=CCC3C2[NH2+]1
DelComponent,Please remove a hydroxyl from the molecule CC1(C)OC2C(O)OC(COC(=O)C(C)(C)C)C2O1.,CC1(C)OC2COC(COC(=O)C(C)(C)C)C2O1
LogP,Modify the molecule COc1ccc(C(=O)COc2ccc(-c3noc(C(C)(C)C)n3)cc2)cc1 to have a lower LogP value.,COc1ccc(C(=O)COc2ccc(-c3noc(C(C)(C)C)n3)cc2)c(N)c1
MR,Optimize the molecule O=C1CCN(C(=O)Nc2cccc(Br)c2)c2ccccc21 to have a lower MR value.,O=C1CCN(C(=O)NBr)c2ccccc21
QED,Please optimize the molecule CCCNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(SCC(=O)c3ccc(C)cc3C)nc2c1 to have a higher QED value.,CCCNC(=O)c1ccc2c(=O)n(C)c(SCC(=O)c3ccc(C)cc3C)nc2c1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CN(C)S(=O)(=O)c1ccccc1CNC(=O)COCCOc1ccccc1
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",CC(C)n1ncc2cc(C(=O)N3CCC(CC(N)=O)CC3)cnc21
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, and 2 halo groups.",CCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3ccc(Cl)c(C)c3n2)cc1
AddComponent,Modify the molecule CCCCOCC1OC(n2ccc(=O)[nH]c2=O)C2OC(C)(C)OC12 by adding a aldehyde.,CCCCOCC1OC(n2ccc(=O)[nH]c2=O)C2OC(C)(CCC=O)OC12
SubComponent,Modify the molecule hydroxyl by substituting a CN1CCC([NH+]2CCCC(O)(Cn3ccnn3)C2)C1=O with a carboxyl.,CN1CCC([NH+]2CCCC(Cn3ccnn3)(C(=O)[OH])C2)C1=O
DelComponent,Remove a Cc1cc(C)nc(NC2CCS(=O)(=O)CC2)n1 from the molecule amine.,Cc1cc(C)nc(C2CCS(=O)(=O)CC2)n1
LogP,Modify the molecule CCCCCCCCC=CCCCCCCCCC(O)(CCCCCCCC=CCCCCCCCC)C(CCCCCCCC=CCCCCCCCC)OC(=O)CCCC[NH+](C)C to have a higher LogP value.,CCCCCCCCC=CCCCCCCCCC(S)(CCCCCCCC=CCCCCCCCC)C(CCCCCCCC=CCCCCCCCC)OC(=O)CCCC[NH+](C)C
MR,Modify the molecule CC(NC(=O)c1cn[nH]c1)c1ccc(S(=O)(=O)Cl)cc1 to increase its MR value.,O=C(NC(CO)c1ccc(S(=O)(=O)Cl)cc1)c1cn[nH]c1
QED,Please optimize the molecule Cc1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cc(C(C)(C)C)ccc23)cc1 to have a higher QED value.,CC(C)(C)c1ccc2c(-c3ccc(CC(=O)O)cc3)c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1
AtomNum,"Please generate a molecule with 15 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCCC([NH2+]CC)C1(OCC)CCCCCC1
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CSc1ccc(Cl)c(C(=O)NC2(c3noc(C)n3)CCC2)c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 sulfide group, and 1 sulfone group.",COc1ccc(NC(=O)Nc2nc3c(s2)CN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1
AddComponent,Modify the molecule Cc1c(C(=O)Nc2ccnn2Cc2ccccc2)cnn1C(C)(C)C by adding a carboxyl.,CC(C)(C)n1ncc(C(=O)Nc2ccnn2Cc2ccccc2)c1CC(=O)O
SubComponent,Modify the molecule CCOC1CC(CC(Br)c2cc(F)c(Br)cc2F)C1 by substituting a halo with a thiol.,CCOC1CC(CC(S)c2cc(F)c(Br)cc2F)C1
DelComponent,Remove a Cc1ccc2nc(NC(=O)Cn3ccc(C)n3)sc2c1 from the molecule amide.,Cc1ccc2nc(-n3ccc(C)n3)sc2c1
LogP,Modify the molecule O=C([O-])c1cnc(N(CCO)CC(F)F)c2ccccc12 to decrease its LogP value.,O=C([O-])c1c(O)nc(N(CCO)CC(F)F)c2ccccc12
MR,Modify the molecule C[NH2+]CCCc1cn(CCSC(F)(F)F)c2ccccc12 to increase its MR value.,C[NH2+]CCCc1cn(CCSC(F)(F)S)c2ccccc12
QED,Modify the molecule CCC(CC1COC(CC=CCO)C1(C)C)OCc1ccccc1 to have a lower QED value.,CCC(CC1COC(CC=CCBr)C1(C)C)OCc1ccccc1
AtomNum,"The molecule is composed of 12 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",O=C([O-])C1CCC(COCc2ccncc2)O1
BondNum,"The molecule is composed of 4 single bonds, 2 double bonds, 1 rotatable bond, and 10 aromatic bonds.",Cc1[nH]c2ncc(C(=O)[O-])c(=O)n2c1Br
FunctionalGroup,There is a molecule consisting of and 1 amide group.,Cc1cc(C(=O)NCCCCCc2nnc3ccccn23)c2c(C)nn(C)c2n1
AddComponent,Please add a benzene ring to the molecule CC[NH2+]C(Cc1cc(C)nn1C)CC(C)(C)C.,CC[NH2+]C(Cc1cc(C)nn1C)C(c1ccccc1)C(C)(C)C
SubComponent,Substitute a CCCCC(C(=O)Nc1cc(C)on1)[NH+](CC)CC(C)(C)O in the molecule hydroxyl with a thiol.,CCCCC(C(=O)Nc1cc(C)on1)[NH+](CC)CC(C)(C)S
DelComponent,Remove a amide from the molecule CCC1(C)[NH2+]C(c2cccs2)N(CC[NH+](C)C)C1=O.,CCC[NH2+]C(CC[NH+](C)C)c1cccs1
LogP,Modify the molecule NC(=O)CCC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(CCC(=O)[O-])C(=O)NC(CO)C(=O)[O-] to have a lower LogP value.,NC(=O)CCC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(CCC(=O)[O-])C(=O)NC(CNO)C(=O)[O-]
MR,Modify the molecule CCc1cc2cccc(C)c2c(=O)n1-c1cccc(F)c1 to have a higher MR value.,CCc1cc2cccc(C)c2c(=O)n1-c1cccc(NO)c1
QED,Optimize the molecule CCC(NS(=O)(=O)C(C)C(=O)[O-])c1nc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)o1 to have a lower QED value.,CCC(NS(=O)(=O)C(C)C(=O)[O-])c1nc(-c2ccccc2)c(-c2ccc(O)cc2S(N)(=O)=O)o1
AtomNum,"Please generate a molecule with 18 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",CC(C)(C)c1ccc(CNC(=S)NCc2cnc(NS(C)(=O)=O)cn2)cc1
BondNum,"The molecule is composed of 12 single bonds, 3 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CC1(c2ccccc2)NC(=O)N(NC(=O)c2cc(F)ccc2Br)C1=O
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, and 1 halo group.",O=C(NOCc1ccccc1)c1ccccc1Cl
AddComponent,Add a carboxyl to the molecule COc1cc(OC)c2ccc(=O)oc2c1CC=O.,COc1cc(OC)c2ccc(=O)oc2c1C(C=O)C(=O)O
SubComponent,Please substitute a hydroxyl in the molecule CCOc1cc(C[NH+]2CCn3cnnc3C2)ccc1O with a halo.,CCOc1cc(C[NH+]2CCn3cnnc3C2)ccc1Br
DelComponent,Remove a COc1cccc(NCCc2cccc(F)c2)c1N from the molecule amine.,COc1cccc(NCCc2cccc(F)c2)c1
LogP,Modify the molecule COC(=O)C(Br)CNC(=O)C1Cc2ccccc21 to have a lower LogP value.,COC(=O)C(Br)C(N)NC(=O)C1Cc2ccccc21
MR,Modify the molecule CC(C)Sc1nc2ccc(CO)cc2n2c(C(F)(F)F)nnc12 to have a lower MR value.,CC(C)Sc1nc2ccc(CO)cc2n2c(C(F)F)nnc12
QED,Please modify the molecule CCn1c(CC2CCN(C(=O)CCCc3cn[nH]c3)CC2)n[nH]c1=O to increase its QED value.,CCn1c(CC2CCC(Cc3cn[nH]c3)CC2)n[nH]c1=O
AtomNum,"The molecule consists of 20 carbon atoms, and 6 oxygen atoms.",O=C1CC(Cc2ccc3c(c2)OCO3)=C(Cc2ccc3c(c2)OCO3)O1
BondNum,"There is a molecule composed of 14 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(OC(=O)NC2(C(F)(F)F)OCCO2)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",CC(C)C(NC(=O)c1cccc(-n2[nH]c(=O)ccc2=O)c1)c1nc(-c2ccncc2)no1
AddComponent,Add a hydroxyl to the molecule CC1CCCC1Nc1nccn2nc(C(F)(F)F)cc12.,CC1CCCC1Nc1nc(O)cn2nc(C(F)(F)F)cc12
SubComponent,Modify the molecule COc1cccc(OC2CCN(c3ccc4nnc(C(F)(F)F)n4c3)CC2)c1 by substituting a halo with a thiol.,COc1cccc(OC2CCN(c3ccc4nnc(C(F)(F)S)n4c3)CC2)c1
DelComponent,Please remove a Cn1ncc2c(=O)n(CC(=O)Nc3nnc(-c4ccco4)s3)cnc21 from the molecule amide.,Cn1ncc2c(=O)n(-c3nnc(-c4ccco4)s3)cnc21
LogP,Modify the molecule Cc1cc(N2CC[NH+](C)CC2)nc(SCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 to have a lower LogP value.,Cc1cc(N2CC[NH+](C)CC2)nc(SCC(=O)NCC[NH+](C)C)n1
MR,Modify the molecule Cc1ncc2c(c1-c1noc(-c3ccc(Cn4cnnn4)cc3)n1)CC[NH2+]C2 to increase its MR value.,Cc1ncc2c(c1-c1noc(-c3ccc(Cn4cnnn4)cc3-c3ccccc3)n1)CC[NH2+]C2
QED,Please modify the molecule CC(C)(C)OC(=O)CCCCCCCC(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(=O)OC1CCCCC1)C(=O)NC(Cc1ccccc1)C(N)=O to increase its QED value.,CC(NC(=O)C(CC(=O)OC1CCCCC1)NC(=O)C(CCCCCCCC(=O)OC(C)(C)C)NC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(N)=O
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CCOC(=O)C1CCN(C(=O)C=Cc2ccc(Sc3cccc(Br)c3)c([N+](=O)[O-])c2)C1
BondNum,"The molecule consists of 25 single bonds, 5 double bonds, 4 rotatable bonds, and 17 aromatic bonds.",O=C1C2CC=C3C(CC4C(=O)N(c5ccc(I)cc5)C(=O)C4C3c3ccc(CO)o3)C2C(=O)N1c1ccc(I)cc1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 1 amide group.",CC(C)(C)c1ccc(CNC(=O)Cc2cccc(OCC3CC3)c2)cc1
AddComponent,Add a hydroxyl to the molecule NCC(F)(F)c1cc(Br)cs1.,NCC(F)(F)c1scc(Br)c1O
SubComponent,Modify the molecule COc1cccc(OC)c1C(=O)N1CC[NH+](CC2CN(C(=O)c3ccc(F)cc3F)CCO2)CC1 by substituting a halo with a carboxyl.,COc1cccc(OC)c1C(=O)N1CC[NH+](CC2CN(C(=O)c3ccc(C(=O)[OH])cc3F)CCO2)CC1
DelComponent,Modify the molecule amide by removing a C=CCc1ccc(OCC(=O)NN=Cc2cccs2)c(OC)c1.,C=CCc1ccc(ON=Cc2cccs2)c(OC)c1
LogP,Modify the molecule C=CCOCCc1c(CCCc2ccccc2)c(O)c(OC)c(OC)c1OC to decrease its LogP value.,C=CCOCCc1c(CCCc2ccccc2)c(C(=O)[OH])c(OC)c(OC)c1OC
MR,Modify the molecule CCCCOC(O)Nc1cccc(N(c2ccc(OCC)nc2)C(c2cccnc2)c2cccnc2)n1 to decrease its MR value.,CCCCOC(O)c1cccc(N(c2ccc(OCC)nc2)C(c2cccnc2)c2cccnc2)n1
QED,Optimize the molecule COc1ccc(C2=CC3(C=C2c2ccc(S(N)(=O)=O)cc2)CC3)cc1 to have a lower QED value.,COc1ccc(C2=CC3(C=C2c2ccc(S(N)(=O)=O)cc2)CC3N)cc1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 fluorine atom.",CC1=[NH+]CCN1C1CS(=O)(=O)CC1S(=O)(=O)c1ccc(F)cc1
BondNum,"There is a molecule consisting of 12 single bonds, 3 double bonds, 7 rotatable bonds, and 22 aromatic bonds.",CCCOC(=O)c1ccc(NC(=O)Cn2cnc3sc(C)c(-c4ccc(Br)cc4)c3c2=O)cc1
FunctionalGroup,"The molecule has 1 ester group, 1 amide group, and 1 sulfide group.",CCC(C)OC(=O)CN1C(=O)SC(=Cc2ccncc2)C1=O
AddComponent,Add a amine to the molecule CCN(CC[NH2+]CC1CCCC1)CC1CCCO1.,CCN(CC[NH2+]CC1CCCC1N)CC1CCCO1
SubComponent,Modify the molecule COc1cc(OC)cc(C(=O)NCC(C)(C)Cc2ccc(Br)cc2)c1 by substituting a halo with a thiol.,COc1cc(OC)cc(C(=O)NCC(C)(C)Cc2ccc(S)cc2)c1
DelComponent,Remove a benzene ring from the molecule O=C(Nc1cccc(OCCn2cncn2)c1)C1CCN(c2ccc3nncn3n2)CC1.,O=C(NOCCn1cncn1)C1CCN(c2ccc3nncn3n2)CC1
LogP,Optimize the molecule CC1=C(C)C(C)([Si](C)C)C=C1CNc1ccccc1 to have a lower LogP value.,CC1=C(C)C(C)([Si](C)C)C=C1CNc1ccccc1O
MR,Modify the molecule O=C(NCc1ccccc1F)N1CCS(=O)(=O)C2CCCCC21 to have a lower MR value.,O=C(NCF)N1CCS(=O)(=O)C2CCCCC21
QED,Modify the molecule CCOc1ccc(C(C)[NH2+]C2CCc3ccccc32)cc1 to decrease its QED value.,CCOc1ccc(C(C)[NH2+]C2CCc3ccccc32)c(CC=O)c1
AtomNum,"The molecule contains 22 carbon atoms, and 3 oxygen atoms.",CCCCC(O)CCCCCCCCCCCCCCCCC(=O)[O-]
BondNum,"There is a molecule composed of 16 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",Cc1nc(SCC(=O)N2CCSCC2C2CCC2)n[nH]1
FunctionalGroup,"The molecule has 4 benzene ring groups, 4 amide groups, and 2 halo groups.",Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(C(=O)Nc4ccccc4C(=O)Nc4cc(F)ccc4C)CC3)c2)cc1F
AddComponent,Add a hydroxyl to the molecule COC(=O)CCCCN1C(=O)C(O)(C(C)C=CCC(=O)N2CCCC2CO)c2cc(N3CCCCC3=O)ccc21.,COC(=O)CCCCN1C(=O)C(O)(C(C)C=CCC(=O)N2CCCC2CO)c2cc(N3CCC(O)CC3=O)ccc21
SubComponent,Modify the molecule halo by substituting a CCCNC(=O)C(C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 with a thiol.,CCCNC(=O)C(C)[NH2+]Cc1ccc(OC(F)(F)S)cc1
DelComponent,Modify the molecule NC(N)=[NH+]C(N)=[NH+]c1nc(-c2ccc(Cl)cc2)cs1 by removing a halo.,NC(N)=[NH+]C(N)=[NH+]c1nc(-c2ccccc2)cs1
LogP,Optimize the molecule CC(=O)C1(c2ccccc2)CCN(C(=O)CN2CCC([NH+](C)C)C2)CC1 to have a higher LogP value.,CC(=O)C1(c2ccccc2-c2ccccc2)CCN(C(=O)CN2CCC([NH+](C)C)C2)CC1
MR,Modify the molecule CC(Oc1ccccc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br to increase its MR value.,CC(Oc1cccc(O)c1)C(=O)NNC(=O)COc1ccc(Br)cc1Br
QED,Please optimize the molecule Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1 to have a higher QED value.,Cc1ccc(C2c3c(oc4c(O)cccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1
AtomNum,"Please generate a molecule with 22 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1ccc(NC(=O)N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1Cl
BondNum,"Please generate a molecule with 24 single bonds, 1 double bond, 13 rotatable bonds, and 23 aromatic bonds.",C=NNc1ccc(Nc2nc(-c3cccc(NC4OC4C[NH+]4CCOCC4)c3)nc3ccc(OCCOC)cc23)cc1C
FunctionalGroup,"The molecule consists of 1 ester group, and 1 amide group.",CCOC(=O)CCCNC(=O)c1cc(C2CC2)on1
AddComponent,Add a amine to the molecule Brc1cccnc1N1CCCSCC1.,Nc1cnc(N2CCCSCC2)c(Br)c1
SubComponent,Modify the molecule halo by substituting a C[NH+](C)CCOc1cc(NN)nc(C(F)(F)F)n1 with a nitro.,C[NH+](C)CCOc1cc(NN)nc(C(F)(F)NO)n1
DelComponent,Remove a halo from the molecule CC(C[NH2+]C1CC1)Sc1ccccc1Cl.,CC(C[NH2+]C1CC1)Sc1ccccc1
LogP,Modify the molecule Brc1cnc(OCCC[NH2+]Cc2ccccc2)nc1 to decrease its LogP value.,Sc1cnc(OCCC[NH2+]Cc2ccccc2)nc1
MR,Optimize the molecule CCC([NH3+])C(Oc1ccc(Br)cc1Cl)C(C)(C)C to have a lower MR value.,CCC([NH3+])C(Oc1ccc(O)cc1Cl)C(C)(C)C
QED,Please modify the molecule CCOc1cccc(NC(=O)C(CC)Oc2ccc3c(c2)CCCC3)c1 to decrease its QED value.,CCOc1cccc(NC(=O)C(CC)Oc2cc3c(cc2-c2ccccc2)CCCC3)c1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCOc1ccc(OCCNC(=O)NCCCOC)cc1
BondNum,"There is a molecule composed of 14 single bonds, 4 rotatable bonds, and 36 aromatic bonds.",c1cc2c3cc(C4CCCC4)ncc3n(-c3ccc(-n4c5cnccc5c5cc(C6CCCC6)ncc54)cc3)c2cn1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",COc1cc(C=NNc2ccccc2C)cc(Br)c1OCC(=O)N(C)C
AddComponent,Add a benzene ring to the molecule Cc1ccc(-n2c([O-])cn(C)c2=O)cc1.,Cc1ccc(-n2c([O-])cn(C)c2=O)cc1-c1ccccc1
SubComponent,Substitute a halo in the molecule O=C([O-])CCc1ccc(OCCc2c(COCc3ccc(F)cc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1 with a carboxyl.,O=C([O-])CCc1ccc(OCCc2c(COCc3ccc(C(=O)[OH])cc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
DelComponent,Please remove a halo from the molecule O=C(NCc1c(F)cccc1F)c1cccc2[nH]ccc12.,O=C(NCc1ccccc1F)c1cccc2[nH]ccc12
LogP,Modify the molecule C=C(Br)CNc1nc2ccccc2n1C to have a lower LogP value.,C=C(CNc1nc2ccccc2n1C)NO
MR,Please modify the molecule CC(NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCC[NH2+]1)C(C)O)C(=O)[O-] to decrease its MR value.,CCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCC[NH2+]1)C(=O)NC(C)C(=O)[O-]
QED,Modify the molecule O=C(NCC1(c2cccs2)CCCC1)C(=O)Nc1ccc(F)c(F)c1 to decrease its QED value.,CC(=O)c1ccc(NC(=O)C(=O)NCC2(c3cccs3)CCCC2)cc1F
AtomNum,"The molecule consists of 66 carbon atoms, 6 nitrogen atoms, and 30 fluorine atoms.",Fc1c(F)c(F)c(C2=C3C=CC(=N3)C(c3c(F)c(F)c(F)c(F)c3F)=c3ccc([nH]3)=C(c3c(F)c(F)c(F)c(F)c3F)C(c3c(F)c(F)c(F)c(F)c3F)=c3ccc([nH]3)=C(c3c(F)c(F)c(F)c(F)c3F)C3=NC(=C(c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)-c4ccc2[nH]4)C=C3)c(F)c1F
BondNum,"The molecule has 7 single bonds, 2 rotatable bonds, and 34 aromatic bonds.",Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)c3ccccc3-4)c3ccccc23)cc1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 1 ester group, 1 amide group, and 1 nitro group.",CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(OC)cc4)c3C2c2ccccc2[N+](=O)[O-])cc1
AddComponent,Add a carboxyl to the molecule O=C(NC1CCC[NH2+]C1)N1CCC(C[NH+]2CCOCC2)CC1.,O=C(O)C1CN(C(=O)NC2CCC[NH2+]C2)CCC1C[NH+]1CCOCC1
SubComponent,Modify the molecule halo by substituting a O=C([O-])c1cc(-c2csc(-c3cccc(Br)c3)n2)c[nH]1 with a nitro.,ONc1cccc(-c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1
DelComponent,Remove a benzene ring from the molecule COc1ccc(CC(C)(O)CNC(=O)c2cccs2)cc1.,COCC(C)(O)CNC(=O)c1cccs1
LogP,Optimize the molecule Cn1ncc2c1CCCN(C(=O)c1cc(C3CC3)nc3ccc(F)cc13)C2 to have a lower LogP value.,Cn1ncc2c1CC(S)CN(C(=O)c1cc(C3CC3)nc3ccc(F)cc13)C2
MR,Optimize the molecule COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2ccccc2Cl)cc1 to have a higher MR value.,COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2ccccc2Cl)cc1-c1ccccc1
QED,Optimize the molecule CCOCCCC(O)c1ccc2c(c1)OCCO2 to have a lower QED value.,CCOCCCCc1ccc2c(c1)OCCO2
AtomNum,"The molecule contains 17 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COc1cc(OC)cc(N2CCC(NC(=O)C3COCC[NH2+]3)C2)c1
BondNum,"The molecule contains 8 single bonds, 2 double bonds, 4 rotatable bonds, and 25 aromatic bonds.",COc1ccc(-c2c3c[nH][nH]c3nc3c2oc2c([O-])c(=O)ccc23)c(C(=O)[O-])c1OC
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NC(=O)C(NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)NC3CCCCC3C)cc2C)CC1)C(C)C
AddComponent,Modify the molecule Cc1cc(Cl)cc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1 by adding a thiol.,Cc1cc(Cl)cc(C(=O)N2CCC3(CC[NH2+]3)CC2S)c1
SubComponent,Please substitute a Cc1c(Cl)c(C(F)(F)F)nn1Cc1nc2c3ccsc3ncn2n1 in the molecule halo with a nitrile.,Cc1c(C#N)c(C(F)(F)F)nn1Cc1nc2c3ccsc3ncn2n1
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(CNC(=S)Nc2ccc(Cl)c(Cl)c2)c1.,Cc1cccc(CNC(=S)N(Cl)Cl)c1
LogP,Optimize the molecule O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1CCCO to have a higher LogP value.,CCCn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O
MR,Optimize the molecule CC(NS(=O)(=O)N1CCCCC1)c1cccc(C(F)(F)F)c1 to have a higher MR value.,CC(NS(=O)(=O)N1CCCCC1)c1cccc(C(F)(F)S)c1
QED,Optimize the molecule Cc1c(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N(C)C)c3C)CC2)cccc1C(=O)N(C)C to have a lower QED value.,Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(C(=O)N(C)CS)c3C)CC2)cccc1C(=O)N(C)C
AtomNum,"There is a molecule consisting of 10 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 6 bromine atoms.",CCC1(NC(=O)C(Br)(Br)Br)CC(=O)OCN1C(=O)C(Br)(Br)Br
BondNum,"There is a molecule composed of 6 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",Cc1[nH]nc2ccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc12
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,CC(C)(C)CC(c1ccc(OC(OC2CC3CCC2C3)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
AddComponent,Modify the molecule COc1ccc(C=CC(=O)N(C=O)CCC[NH3+])cc1 by adding a benzene ring.,COc1ccc(C=C(C(=O)N(C=O)CCC[NH3+])c2ccccc2)cc1
SubComponent,Modify the molecule halo by substituting a CCn1nc(C)c(C(=O)Nc2nn(Cc3ccc(Cl)cc3Cl)cc2Cl)c1C with a nitrile.,CCn1nc(C)c(C(=O)Nc2nn(Cc3ccc(C#N)cc3Cl)cc2Cl)c1C
DelComponent,Remove a benzene ring from the molecule COc1ccc(-c2ccc3nc(N)nc(C4=COC(Cc5ccccc5)O4)c3c2)cc1OC.,COc1ccc(-c2ccc3nc(N)nc(C4=COC(C)O4)c3c2)cc1OC
LogP,Modify the molecule COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)C2OC(CBr)(n3cc(C)c(=O)[nH]c3=O)CC2(O)[Si](C)(C)C(C)(C)C)cc1 to have a lower LogP value.,COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)C2OC(C)(n3cc(C)c(=O)[nH]c3=O)CC2(O)[Si](C)(C)C(C)(C)C)cc1
MR,Optimize the molecule Cc1cccc(C[NH2+]C2CCCCCC2O)n1 to have a lower MR value.,Cc1cccc(C[NH2+]C2CCCCCC2F)n1
QED,Please optimize the molecule CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Br)o1 to have a higher QED value.,CN(CC(F)(F)F)C(=O)c1ccc(Br)o1
AtomNum,"The molecule consists of 12 carbon atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CCN(CCC#N)c1ccc(CCl)cc1F
BondNum,"The molecule has 18 single bonds, 2 double bonds, and 7 rotatable bonds.",CCC(CNC(=O)N1CCCC(C[NH2+]C)C1)CC(=O)[O-]
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amide groups, and 1 sulfide group.",COc1ccccc1Cc1cnc(C2CCCN(C(=O)c3sc(NC(C)=O)nc3C)C2)o1
AddComponent,Add a hydroxyl to the molecule COc1cc2c(cc1OC)CC(C(=O)NCc1ccccc1)[NH2+]C2.,COc1cc2c(cc1OC)CC(C(=O)NCc1ccc(O)cc1)[NH2+]C2
SubComponent,Modify the molecule halo by substituting a O=S1CCC(n2c(CCl)nc3cnccc32)CC1 with a nitro.,ONCc1nc2cnccc2n1C1CCS(=O)CC1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc2[nH]c3c(c2c1)CC(C(=O)OCc1ccccc1)[NH2+]C3CC12CC3CC(CC(C3)C1)C2.,COC(=O)C1Cc2c([nH]c3ccc(OC)cc23)C(CC23CC4CC(CC(C4)C2)C3)[NH2+]1
LogP,Please modify the molecule CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccccn3)C2)c(C)c1 to decrease its LogP value.,Cc1ccc(S(=O)(=O)N2CCC(Oc3ccccn3)C2)c(C)c1
MR,Modify the molecule CNC(=O)c1ccc(Cl)cc1NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2C)CC1 to increase its MR value.,Cc1cc(C(=O)NCc2ccc(F)cc2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2C(=O)NCC(=O)O)CC1
QED,Modify the molecule FC(F)(F)c1cnc2c([S-])cccc2c1 to decrease its QED value.,ONC(F)(F)c1cnc2c([S-])cccc2c1
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCc1nn2c(=O)cc(C[NH+](CCO)C3CC3)nc2s1
BondNum,"The molecule is composed of 19 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CC(CC(=O)Nc1ccccc1OC1CCCC1)C1CCC[NH2+]C1
FunctionalGroup,The molecule is composed of and 1 hydroxyl group.,CC#CCOc1ccc2c(c1)OC(C)(C)CC2O
AddComponent,Add a hydroxyl to the molecule O=C(CNc1nnnn1-c1ccccc1)N1CCCCC1.,O=C(CNc1nnnn1-c1ccccc1)N1CCCC(O)C1
SubComponent,Please substitute a halo in the molecule CC(=O)Nc1ccc(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)cc1 with a thiol.,CC(=O)Nc1ccc(NC(=O)C2CC(c3c(S)cccc3Cl)=NO2)cc1
DelComponent,Modify the molecule benzene ring by removing a Nc1nc(-c2cccc(NC(=O)C3CCCCC3)c2)c(-c2ccnc(Nc3ccc4c(c3)C[NH2+]CC4)n2)s1.,Nc1nc(NC(=O)C2CCCCC2)c(-c2ccnc(Nc3ccc4c(c3)C[NH2+]CC4)n2)s1
LogP,Modify the molecule CC(C)[NH+]1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1 to increase its LogP value.,CC(C)[NH+]1CCN(CCN2CCN(c3ccccc3)C2=O)CC1
MR,Please optimize the molecule Cn1ccnc1C(=O)N1CCC2(CC1)COCCN2CC[NH+](C)C to have a lower MR value.,Cn1ccn2CCC3(COCCN3CC[NH+](C)C)CC12
QED,Modify the molecule CCCC(=O)C1CCN(c2ncccc2NC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2C(C)c2ccc(Cl)cc2)CC1 to decrease its QED value.,CC(=O)c1ccc2c(-c3c(-c4ccccc4)ncn3C(C)c3ccc(Cl)cc3)c(C(=O)Nc3cccnc3N3CCC(C(=O)CCC)CC3)[nH]c2c1
AtomNum,"There is a molecule with 12 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COc1cccnc1C(O)C(OC)C1CC1
BondNum,"Please generate a molecule consisting 6 single bonds, 4 rotatable bonds, and 16 aromatic bonds.",CCCc1ccc(Oc2nc3ccc(N)cc3s2)cc1
FunctionalGroup,The molecule is composed of and 1 hydroxyl group.,CCCCC1CCC(C2=CC=C(C3CCC(O)CC3)CC2)CC1
AddComponent,Add a amine to the molecule COc1ccc(OC)c(CNC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)c1.,COc1ccc(OC)c(CNC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)C(N)C2)c1
SubComponent,Substitute a OCC1(CSCc2cc(Cl)ccc2Cl)COC1 in the molecule hydroxyl with a thiol.,SCC1(CSCc2cc(Cl)ccc2Cl)COC1
DelComponent,Remove a hydroxyl from the molecule CCCCCCC(O)C1CCCOC1.,CCCCCCCC1CCCOC1
LogP,Modify the molecule C#CC[NH2+]CC(C)Sc1cc(C)ccc1C to decrease its LogP value.,C#CC[NH2+]CC(C)SCC
MR,Please optimize the molecule CCC1(CC)CC[NH+](Cc2ccccc2CC[NH2+]C)CC1 to have a lower MR value.,CCC1(CC)CC[NH+](CCC[NH2+]C)CC1
QED,Optimize the molecule CSc1ccc(-c2ccc3c(c2)C(C)(C)C(=CC=CC=CC=CC2=[N+](CCCCSOOO)c4ccc(-c5ccc(SC)cc5)cc4C2(C)C)N3CCCCS(=O)(=O)O)cc1 to have a lower QED value.,CSc1ccc(-c2ccc3c(c2)C(C)(C)C(=CC=CC=CC=CC2=[N+](CCCCSOOC#N)c4ccc(-c5ccc(SC)cc5)cc4C2(C)C)N3CCCCS(=O)(=O)O)cc1
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 1 oxygen atom, 1 sulfur atom, 3 chlorine atoms, and 1 bromine atom.",O=C(c1cc(Cl)cc(Cl)c1)c1cc(Br)c(Cl)s1
BondNum,"There is a molecule with 15 single bonds, 1 double bond, and 4 rotatable bonds.",CC1C[NH+](C(C)CC(C)([NH3+])C(=O)[O-])CC1C
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amine groups, and 1 halo group.",CCNc1cc(NCCNC(=O)Nc2ccc(OC)c(Cl)c2)nc(C)n1
AddComponent,Add a benzene ring to the molecule COc1ccc([N+](=O)[O-])cc1NC(=S)NCC1CCCO1.,COc1ccc([N+](=O)[O-])cc1NC(=S)NC(c1ccccc1)C1CCCO1
SubComponent,Substitute a COc1ccc(C2=CN(C(=O)C3=C4C=CCCC4C(F)C=C3)C3[NH2+]CCC=C23)cc1OC in the molecule halo with a carboxyl.,COc1ccc(C2=CN(C(=O)C3=C4C=CCCC4C(C(=O)[OH])C=C3)C3[NH2+]CCC=C23)cc1OC
DelComponent,Please remove a C#CCN(CC(=O)[O-])C(=O)NC(C)C(=O)NCC(C)C from the molecule amide.,C#CCN(CC(=O)[O-])C(=O)N(C)CC(C)C
LogP,Optimize the molecule CC(Oc1cnc(-c2cccc(CO)c2)nc1)C1CC[NH2+]CC1 to have a higher LogP value.,CC(Oc1cnc(-c2cccc(CC#N)c2)nc1)C1CC[NH2+]CC1
MR,Optimize the molecule Cc1ccc(CN2c3ccccc3COCCS2(=O)=O)cc1 to have a lower MR value.,CCN1c2ccccc2COCCS1(=O)=O
QED,Optimize the molecule C[NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(C)nc2)c(F)c1 to have a lower QED value.,C[NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(C)nc2)c(F)c1CC=O
AtomNum,"The molecule contains 20 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CCCNC(=O)c1cc(NC(=O)Nc2ccc(OC)cc2)ccc1N(C)C
BondNum,"Please generate a molecule consisting 7 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",C=C(C)C(CBr)CCc1ccccc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 2 halo groups.",CCC([NH2+]CC1C[NH+](C)CCO1)c1ccc(Cl)cc1Cl
AddComponent,Modify the molecule Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1C by adding a hydroxyl.,Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1CO
SubComponent,Substitute a hydroxyl in the molecule O=C(NCC(=O)N1CCc2ccccc2C1)NC1CCCCC1O with a carboxyl.,O=C(NCC(=O)N1CCc2ccccc2C1)NC1CCCCC1C(=O)[OH]
DelComponent,Please remove a benzene ring from the molecule CC(=O)N1CCN(C(=O)Cc2ccccc2)C(C[NH+]2CCC(O)C2)C1.,CC(=O)N1CCN(C(C)=O)C(C[NH+]2CCC(O)C2)C1
LogP,Modify the molecule CC(C)(C[NH3+])CCC[NH+](CCO)C1CCC1 to have a higher LogP value.,CC[NH+](CCCC(C)(C)C[NH3+])C1CCC1
MR,Modify the molecule CCCCC1COCCC1C to have a higher MR value.,CCCC(c1ccccc1)C1COCCC1C
QED,Please modify the molecule CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH2+]C to decrease its QED value.,CCOC(=O)c1[nH]c2ccc(C(=O)[OH])cc2c1NC(=O)C[NH2+]C
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCCCN(Cc1cccn1Cc1ccccc1C)C(=O)Cc1ccccc1
BondNum,"Please generate a molecule composed of 18 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",c1ccc(Oc2ccc3c(c2)COC2(CC[NH+](C4CCC4)CC2)O3)cc1
FunctionalGroup,"The molecule is composed of 2 thioether groups, and 2 sulfide groups.",Cc1oc(-c2cccs2)nc1CSCCC(=O)[O-]
AddComponent,Add a nitrile to the molecule CC=C1Cc2ccccc2C1=O.,N#CCC=C1Cc2ccccc2C1=O
SubComponent,Substitute a CC(C=CCCCCCCCCCCOC1CCCCO1)=CC(=O)c1cc(OCc2ccccc2)c(Cl)cc1O in the molecule hydroxyl with a halo.,CC(C=CCCCCCCCCCCOC1CCCCO1)=CC(=O)c1cc(OCc2ccccc2)c(Cl)cc1Br
DelComponent,Please remove a amide from the molecule CC(C)(COc1ccc(N2CCCC2=O)cc1)C(=O)[O-].,CCc1ccc(OCC(C)(C)C(=O)[O-])cc1
LogP,Modify the molecule Cc1ccc(CC(C)Nc2ncnc(Cl)c2N)s1 to have a higher LogP value.,Cc1ccc(CC(C)c2ncnc(Cl)c2N)s1
MR,Please modify the molecule NNC(=O)c1ccc(CS(=O)(=O)c2cccc(Cl)c2)o1 to increase its MR value.,NNC(=O)c1cc(-c2ccccc2)c(CS(=O)(=O)c2cccc(Cl)c2)o1
QED,Modify the molecule O=C(NCCCCC(F)(F)F)c1ccccc1C#CCO to have a higher QED value.,CC#Cc1ccccc1C(=O)NCCCCC(F)(F)F
AtomNum,"The molecule contains 13 carbon atoms, 1 nitrogen atom, and 2 fluorine atoms.",C=CC=C(C=C)CC(F)(F)C1CCCCN1
BondNum,"The molecule consists of 11 single bonds, 1 rotatable bond, and 6 aromatic bonds.",CC1C[NH+](C)CCN1c1nc(Cl)ccc1N
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 3 halo groups, and 1 sulfide group.",O=C(CCc1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1
AddComponent,Please add a carboxyl to the molecule CCC(=O)CC(=O)OCCCCOc1ccc(CCOC2CCCCO2)cc1.,CCC(=O)CC(=O)OCCCC(Oc1ccc(CCOC2CCCCO2)cc1)C(=O)O
SubComponent,Modify the molecule Nc1cc(F)[nH+]c(C(F)F)c1I by substituting a halo with a thiol.,Nc1cc(S)[nH+]c(C(F)F)c1I
DelComponent,Remove a halo from the molecule Clc1ccc(N2CC[NH+](Cc3ccccc3Oc3cccnc3)CC2)nc1.,c1ccc(N2CC[NH+](Cc3ccccc3Oc3cccnc3)CC2)nc1
LogP,Modify the molecule Cc1cc(C)c2c(C)cc(CC#N)nc2c1 to decrease its LogP value.,Cc1cc(CO)cc2nc(CC#N)cc(C)c12
MR,Modify the molecule COc1cccc(OC)c1C(=O)N(CC(=O)Nc1nccs1)CC1CCCCC1 to increase its MR value.,COc1cccc(OC)c1C(=O)N(CC1CCCCC1)C(N)C(=O)Nc1nccs1
QED,Please optimize the molecule CN(C)c1cccc(NCCCc2cccc(Cl)c2Cl)c1 to have a lower QED value.,CN(C)c1cccc(NCCCc2c(CC=O)ccc(Cl)c2Cl)c1
AtomNum,"The molecule contains 9 carbon atoms, 3 oxygen atoms, and 1 sulfur atom.",C=C1C=C(C)C=CC1S(=O)(=O)OC
BondNum,"The molecule is composed of 12 single bonds, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",CCCC1CCN(c2nc(C)cc(C)c2C#N)C1
FunctionalGroup,"The molecule contains 3 benzene ring groups, 1 amide group, and 1 sulfone group.",COc1ccccc1C(CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[NH+](C)C
AddComponent,Modify the molecule COc1ccc(-c2nc(SCc3noc(-c4ccc(Cl)cc4)n3)n[nH]2)c(OC)c1 by adding a hydroxyl.,COc1ccc(-c2nc(SCc3noc(-c4ccc(Cl)cc4O)n3)n[nH]2)c(OC)c1
SubComponent,Substitute a halo in the molecule O=C1C(=Cc2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Br)c1 with a thiol.,O=C1C(=Cc2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1cccc(S)c1
DelComponent,Modify the molecule benzene ring by removing a COC(=O)CCCCCNC(=O)C(C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1.,COC(=O)CCCCCNC(=O)C(C)SCc1nc2sccc2c(=O)[nH]1
LogP,Please optimize the molecule CCOc1ccccc1C([NH3+])C1C(C)(C)C1(C)C to have a lower LogP value.,CCOC([NH3+])C1C(C)(C)C1(C)C
MR,Optimize the molecule CCC(C)(C#N)C(=O)N(C)CC1CCCC1 to have a higher MR value.,CCC(C)(C#N)C(=O)N(C)CC1CCC(C(=O)O)C1
QED,Please modify the molecule CCc1ccc(Oc2ccc(C(C)=O)cc2Br)cc1 to increase its QED value.,CC(=O)c1ccc(Oc2ccc(C(C)O)cc2)c(Br)c1
AtomNum,"The molecule is composed of 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",O=C(Cc1ccc(Br)cc1)NCCC[NH+]1CCOCC1
BondNum,"The molecule has 9 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C)c(Oc2cc(Br)ccc2C(N)=[NH+]O)c1C
FunctionalGroup,"Please generate a molecule composed of 1 ester group, and 1 sulfide group.",CCOC(=O)c1cnn(-c2nc3ccccc3[nH]2)c1C[NH+](C)Cc1ccsc1
AddComponent,Add a hydroxyl to the molecule CC(C)C(O)CC(SCC12CCC(CC1O)C2(C)C)c1ccccc1.,CC(C)C(O)CC(SCC12CCC(CC1O)C2(C)CO)c1ccccc1
SubComponent,Please substitute a halo in the molecule FCCCn1c(C2=[NH+]CCN2)cc2ccccc21 with a thiol.,SCCCn1c(C2=[NH+]CCN2)cc2ccccc21
DelComponent,Please remove a benzene ring from the molecule COc1ccc(CC(=O)OC(C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.,COCC(=O)OC(C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
LogP,Please modify the molecule CC1CC(C)CC(OCC2(CBr)CC2)C1 to decrease its LogP value.,CC1CC(C)CC(OCC2(C)CC2)C1
MR,Modify the molecule O=C1CSc2ccc(C(=O)OCC(F)(F)F)cc2N1 to have a lower MR value.,O=C(OCC(F)(F)F)c1ccc2c(c1)S2
QED,Please modify the molecule CCN1C(=O)C2CNNC2C2CC(Cl)C(c3ccncc3)CC21 to increase its QED value.,CCN1C(=O)C2CNNC2C2CC(C#N)C(c3ccncc3)CC21
AtomNum,"The molecule consists of 6 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCONC1CCS(=O)(=O)C1
BondNum,"Please generate a molecule composed of 14 single bonds, 3 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",COc1ccccc1CN1C(=O)C(=O)C(=C([O-])c2ccc(Br)cc2)C1c1ccc(Cl)cc1
FunctionalGroup,The molecule consists of and 1 amide group.,[NH3+]CC1CCCCC1C(=O)NCCC1CCCCO1
AddComponent,Modify the molecule Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2-n2cccn2)c(C)c1 by adding a amine.,Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2-n2cccn2)c(C)c1N
SubComponent,Please substitute a O=C(CSCc1ccccc1)NCc1ccc(OC(F)(F)F)cc1 in the molecule halo with a thiol.,O=C(CSCc1ccccc1)NCc1ccc(OC(F)(F)S)cc1
DelComponent,Please remove a COCC(CCO)NC(=O)CNC(=O)c1ccccc1F from the molecule amide.,COCC(CCO)NC(=O)c1ccccc1F
LogP,Modify the molecule COc1ccc(Br)c(C(=O)Nc2cnc(N3CC[NH+](C)CC3)nc2)c1 to have a lower LogP value.,COc1ccc(C#N)c(C(=O)Nc2cnc(N3CC[NH+](C)CC3)nc2)c1
MR,Optimize the molecule CN(C)c1cccc(N2C(=O)C(c3ccc([N+](=O)[O-])cc3)=C([NH+]3CCCC(CO)C3)C2=O)c1 to have a higher MR value.,CN(C)c1cccc(N2C(=O)C(c3ccc([N+](=O)[O-])cc3)=C([NH+]3CCCC(CCl)C3)C2=O)c1
QED,Please optimize the molecule Cc1nc(C(C)[NH2+]CCNC(=O)C2CC2)cs1 to have a lower QED value.,CCCC[NH2+]C(C)c1csc(C)n1
AtomNum,"The molecule contains 9 carbon atoms, 4 nitrogen atoms, 2 fluorine atoms, and 3 chlorine atoms.",FC(F)c1nn(-c2ccc(Cl)nn2)c(Cl)c1CCl
BondNum,"The molecule has 15 single bonds, 3 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",C=CCn1c(-c2cccnc2)nn(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1=S
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 1 halo group, and 1 sulfone group.",O=C(Nc1n[nH]c2ccc(S(=O)(=O)Oc3cccc(F)c3)cc12)c1ccccc1
AddComponent,Please add a benzene ring to the molecule O=C(NCc1csc2ncnn12)C1CN(c2cc(-n3cccn3)ncn2)C1.,O=C(NCc1csc2ncnn12)C1CN(c2cc(-n3cc(-c4ccccc4)cn3)ncn2)C1
SubComponent,Substitute a halo in the molecule CCCOc1ccc(OC(=O)c2ccc(C3=CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2F)c(F)c1F with a hydroxyl.,CCCOc1ccc(OC(=O)c2ccc(C3=CCC(c4ccc(C)c(O)c4F)CC3)c(F)c2F)c(F)c1F
DelComponent,Modify the molecule halo by removing a CC(C)[NH+](CCOc1ccc(N)cc1I)C(C)C.,CC(C)[NH+](CCOc1ccc(N)cc1)C(C)C
LogP,Modify the molecule CC1=C(C#N)C(c2cccc(C(=O)[O-])c2)C(C#N)=C(C2CCCN(C(N)=O)C2)N1 to increase its LogP value.,CC1=C(S)C(c2cccc(C(=O)[O-])c2)C(C#N)=C(C2CCCN(C(N)=O)C2)N1
MR,Please optimize the molecule CCOC(=O)c1nc(Nc2ccccc2)c2c3c(sc2n1)CCCC3 to have a lower MR value.,CCOC(=O)c1nc(N)c2c3c(sc2n1)CCCC3
QED,Please optimize the molecule CCC(C)(C)CCOCCO[Si](C)(C)C(C)(C)C to have a higher QED value.,CCC(C)(C)CCOCCO[Si](C)(C)C(C)(C)CO
AtomNum,"Please generate a molecule composed of 8 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",COC(=O)NC(CCSC)C(=O)CBr
BondNum,"Please generate a molecule with 11 single bonds, 4 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1Br
FunctionalGroup,The molecule consists of and 3 amide groups.,Cn1cc(NC(=O)c2cc(NC(=O)C3CO3)cn2C)cc1C(=O)NCCC[NH+](C)C
AddComponent,Please add a thiol to the molecule CCOc1cc(N)cc(Sc2n[nH]c(=O)n2C(C)C)c1.,CCOc1cc(N)cc(Sc2n[nH]c(=O)n2C(C)(C)S)c1
SubComponent,Modify the molecule hydroxyl by substituting a O=C(CCc1cccnc1)N1CCC(C(O)c2cccs2)CC1 with a halo.,O=C(CCc1cccnc1)N1CCC(C(F)c2cccs2)CC1
DelComponent,Please remove a O=C(NCC1(C2CC2)CC1)Nc1ccc(F)cn1 from the molecule halo.,O=C(NCC1(C2CC2)CC1)Nc1ccccn1
LogP,Modify the molecule COCCn1cnnc1SCC(=O)Nc1ccccc1I to have a lower LogP value.,COCCn1cnnc1SCC(=O)Nc1c(O)cccc1I
MR,Modify the molecule CCN(Cc1ccccn1)c1ccc(C[NH3+])c(F)c1 to have a higher MR value.,CCN(Cc1ccccn1)c1ccc(C[NH3+])c(F)c1O
QED,Please modify the molecule COc1ccc(CCNC(=O)c2csc(CSc3nnc(-c4ccncc4)n3-c3cccc(C(F)(F)F)c3)n2)cc1OC to decrease its QED value.,COc1ccc(CCNC(=O)c2csc(CSc3nnc(-c4ccncc4)n3-c3ccc(N)c(C(F)(F)F)c3)n2)cc1OC
AtomNum,"The molecule has 11 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",COCCN(CCO)c1c(N)cccc1Cl
BondNum,"Please generate a molecule composed of 16 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cn1nnc2c1C(COCc1ccccn1)C[NH+](C1CCOC1)C2
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 ester group, and 1 amine group.",CCOC(=O)CC(c1ccc(OC)nc1)N1CCN(CCCC2=CC=C3CCC[NH+]=C3N2O)C1=O
AddComponent,Add a hydroxyl to the molecule COc1ccc(C(=O)OC2CSC(n3cc(C)c(=O)[nH]c3=O)C2OC(=O)c2ccc(OC)cc2OC)c(OC)c1.,COc1ccc(C(=O)OC2CSC(n3cc(C)c(=O)[nH]c3=O)C2OC(=O)c2c(O)cc(OC)cc2OC)c(OC)c1
SubComponent,Modify the molecule halo by substituting a CC(C)c1ccc(C(=O)C(Cl)c2ccc(C(C)C)cc2)cc1 with a nitro.,CC(C)c1ccc(C(=O)C(NO)c2ccc(C(C)C)cc2)cc1
DelComponent,Remove a amine from the molecule CCC1CCc2ccnc(c2)Nc2cccc(c2)CCC(=O)CC(C)C1.,CCC1CCc2ccnc(c2)-c2cccc(c2)CCC(=O)CC(C)C1
LogP,Optimize the molecule CN[Si](C)(C)O[Si](C)(C)O[SiH](C)C to have a higher LogP value.,C[SiH](C)O[Si](C)(C)O[Si](C)(C)C
MR,Modify the molecule NS(=O)(=O)NCC(NS(N)(=O)=O)c1nc(Cl)nc(Cl)n1 to decrease its MR value.,NS(=O)(=O)CC(NS(N)(=O)=O)c1nc(Cl)nc(Cl)n1
QED,Please modify the molecule O=C1C(Cl)C(c2ccccc2)N1n1c(Cn2c3ccccc3c3ccccc32)n[nH]c1=S to increase its QED value.,O=C1C(Cl)CN1n1c(Cn2c3ccccc3c3ccccc32)n[nH]c1=S
AtomNum,"There is a molecule with 9 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",[NH3+]CC1CCN(S(=O)(=O)CCC(=O)[O-])CC1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(Cl)cc1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1
FunctionalGroup,"The molecule contains 1 amide group, and 1 sulfide group.",CC(O[Si](C)(C)C(C)(C)C)C1C(=O)N2C(C(=O)[O-])=C(c3cn4cncc4s3)C(C)C12
AddComponent,Please add a nitrile to the molecule C=CC([NH3+])c1c(-c2ccccc2)[nH]c2ccccc12.,C=CC([NH3+])c1c(-c2ccc(C#N)cc2)[nH]c2ccccc12
SubComponent,Please substitute a halo in the molecule Cc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)CC1 with a nitro.,Cc1ccccc1NC(=O)c1cc(NO)ccc1NC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)CC1
DelComponent,Modify the molecule benzene ring by removing a CCCC(C)NC(=O)COC(=O)CSc1nnnn1-c1cc(C)ccc1C.,CCCC(C)NC(=O)COC(=O)CSc1nnnn1CC
LogP,Optimize the molecule Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2cccc(F)c2)C(C)C)CC1 to have a lower LogP value.,Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2cccc(C(=O)[OH])c2)C(C)C)CC1
MR,Optimize the molecule Cc1cc(C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)n(-c2ccccc2)n1 to have a higher MR value.,CC(=O)c1cc(Cl)cc(N2CCN(C(=O)c3cc(C)nn3-c3ccccc3)CC2)c1
QED,Please modify the molecule NC(CC[NH2+]CCOc1ccccc1)=[NH+]O to increase its QED value.,NC(CC[NH2+]CCOc1ccccc1)=[NH+]Cl
AtomNum,"The molecule has 21 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC1CCCCN1S(=O)(=O)c1cccc(C(=O)N(C2CCC2)C2CCC2)c1
BondNum,"The molecule contains 12 single bonds, 7 rotatable bonds, and 5 aromatic bonds.",CCC[NH2+]C(CC(C)(C)OC)c1sccc1Cl
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 ketone group, 1 amide group, 1 amine group, and 1 sulfone group.",CC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C
AddComponent,Modify the molecule Cc1nn(C)c(C)c1C(=O)C(C)C by adding a benzene ring.,Cc1nn(C)c(C)c1C(=O)C(C)Cc1ccccc1
SubComponent,Please substitute a halo in the molecule C[NH+](C)CCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 with a nitro.,C[NH+](C)CCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccc(NO)cc2)c(F)c1
DelComponent,Modify the molecule Cc1ccc(Cl)c2c1NC(c1cccc(Cl)c1)C2 by removing a benzene ring.,Cc1ccc(Cl)c2c1NC(Cl)C2
LogP,Modify the molecule Cc1ccccc1C1=c2ccc([nH]2)=C2C=C(C(C)(C)C)C=C(c3ccc4ccc5ccc(nc5c4n3)C3=CC(C(C)(C)C)=CC(=C4CC=C1N4)C3O)C2O to decrease its LogP value.,CC1=c2ccc([nH]2)=C2C=C(C(C)(C)C)C=C(c3ccc4ccc5ccc(nc5c4n3)C3=CC(C(C)(C)C)=CC(=C4CC=C1N4)C3O)C2O
MR,Please modify the molecule CC(Nc1cccc(F)c1I)c1nccn1C to increase its MR value.,CC(Nc1cccc(O)c1I)c1nccn1C
QED,Please optimize the molecule CCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)[O-])c(OC)c2)C2=C1CCCC2=O to have a higher QED value.,CCN1C2=C(C(=O)CCC2)C(O)(c2ccc(OCC(=O)[O-])c(OC)c2)C2=C1CCCC2=O
AtomNum,"There is a molecule consisting of 17 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",Cc1cc(Br)c2c(c1)c(N=NC(=O)c1ccccc1)c(O)n2C
BondNum,"The molecule consists of 11 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",Cc1cnc(C)c(NCC(C)(C)C[NH+](C)C)n1
FunctionalGroup,There is a molecule composed of and 1 amide group.,CCN(CC(C)C(=O)[O-])C(=O)C1COCCO1
AddComponent,Add a hydroxyl to the molecule COCCOC(=O)N1C=CC=NC1.,COCCOC(=O)N1C=CC=NC1O
SubComponent,Please substitute a halo in the molecule Clc1ccc(OCCCCNc2cc(Cl)ccc2Cl)c(Cl)c1 with a carboxyl.,O=C([OH])c1ccc(OCCCCNc2cc(Cl)ccc2Cl)c(Cl)c1
DelComponent,Please remove a NC1=[NH+]CC2(CCCS(=O)(=O)C2)N1CC1CC1 from the molecule amine.,NC1CC2(CCCS(=O)(=O)C2)N1CC1CC1
LogP,Please modify the molecule C=C(NCC1CC12CC[NH+](CCC1CCC(CC(C)(C)C)CC1)CC2)[NH+]1CC2=CC=NCC2C1 to increase its LogP value.,C=C(CC1CC12CC[NH+](CCC1CCC(CC(C)(C)C)CC1)CC2)[NH+]1CC2=CC=NCC2C1
MR,Modify the molecule Cc1cc(NCCc2ccc(Cl)cc2Cl)c(C#N)c(C)[nH+]1 to have a lower MR value.,Cc1cc(NCCc2ccc(Cl)cc2Cl)cc(C)[nH+]1
QED,Modify the molecule COc1cc(NC(C(=O)N2CCCC2c2ccccc2C)c2ccsc2)cc(OC)c1 to have a lower QED value.,COc1cc(OC)cc(C(C(=O)N2CCCC2c2ccccc2C)c2ccsc2)c1
AtomNum,"Please generate a molecule with 16 carbon atoms, and 1 nitrogen atom.",CC[NH2+]C1CCC(c2ccccc2)CC1CC
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, and 2 rotatable bonds.",C=C(C)C1CCCC(C)(OO)C1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, 2 halo groups, and 1 nitrile group.",CCC(C#N)C(N)c1cc(F)c(OC)cc1F
AddComponent,Add a hydroxyl to the molecule CCCCCC[NH+]1C2CCC1C(C(=O)[O-])C2.,CC(O)CCCC[NH+]1C2CCC1C(C(=O)[O-])C2
SubComponent,Please substitute a hydroxyl in the molecule CCOc1ccc(-c2cc(CO)c(=O)n(CC)n2)cc1C with a halo.,CCOc1ccc(-c2cc(CBr)c(=O)n(CC)n2)cc1C
DelComponent,Please remove a amine from the molecule Nc1cccc2nccc(CN3CC(=O)N(c4ccc(SC(F)(F)F)cc4)C3=O)c12.,O=C1CN(Cc2ccnc3ccccc23)C(=O)N1c1ccc(SC(F)(F)F)cc1
LogP,Modify the molecule COC(=O)C1C[N+]2(CCCCCC[N+]34CCC(CC3)C(C(=O)OC)C4)CCC1CC2 to decrease its LogP value.,COC(=O)C1C[N+]2(CCCCCC(N)[N+]34CCC(CC3)C(C(=O)OC)C4)CCC1CC2
MR,Optimize the molecule O=C(Nc1cc(Br)ccn1)c1cn[nH]n1 to have a higher MR value.,O=C(Nc1cc(Br)ccn1)c1n[nH]nc1-c1ccccc1
QED,Modify the molecule CSC1CCCCC1Nc1ccc(N)cc1I to have a lower QED value.,Nc1ccc(NC2CCCCC2SCO)c(I)c1
AtomNum,"There is a molecule consisting of 28 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",O=C(Oc1ccccc1C=C1SC(=O)N(Cc2ccc(F)cc2Cl)C1=O)c1cccc2ccccc12
BondNum,"The molecule contains 16 single bonds, and 3 rotatable bonds.",CC(C)C1C[NH+](CC2(O)CCOCC2)C1
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 1 ketone group.",CC(C)(O)C1CCc2ccccc2C1=O
AddComponent,Modify the molecule CSc1nc(=O)c(C(N)=O)c(Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)[nH]1 by adding a benzene ring.,CSc1nc(=O)c(C(N)=O)c(Nc2cc(S(=O)(=O)N3CCCCC3)cc(-c3ccccc3)c2C)[nH]1
SubComponent,Please substitute a halo in the molecule C[NH+]1CCSCC1C(NN)c1ccc(F)c(F)c1 with a nitro.,C[NH+]1CCSCC1C(NN)c1ccc(NO)c(F)c1
DelComponent,Please remove a CC(C)(C)c1ccc2c(C(=C(C#N)C#N)C(=C(C#N)C#N)C3[CH][CH][CH][CH]3)cc(C(C)(C)C)c-2cc1 from the molecule nitrile.,CC(C)(C)c1ccc2c(C(=CC#N)C(=C(C#N)C#N)C3[CH][CH][CH][CH]3)cc(C(C)(C)C)c-2cc1
LogP,Modify the molecule CC(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1c(Cl)cccc1Cl to decrease its LogP value.,CC(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1c(S)cccc1Cl
MR,Modify the molecule Cc1ccc(C(=O)N2CCCC(F)(C(=O)NCc3ccncc3)C2)s1 to increase its MR value.,Cc1ccc(C(=O)N2CCCC(O)(C(=O)NCc3ccncc3)C2)s1
QED,Modify the molecule COCCOC(=O)CCCCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC(F)F to have a higher QED value.,COCCOC(=O)CCCCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OCF
AtomNum,"The molecule contains 29 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, 6 fluorine atoms, and 1 chlorine atom.",Cc1cc(-c2ccc(Cl)cc2-c2cccc(-n3ncc(OC(=O)[O-])c3C(F)(F)F)n2)ccc1OCC1CN(CC(F)(F)F)C1
BondNum,"The molecule is composed of 17 single bonds, 1 double bond, 6 rotatable bonds, and 17 aromatic bonds.",CCc1nc2cccc(CC[NH+]3CC=C(c4cccc(C(F)(F)F)c4)CC3)c2nc1CC
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 amide groups, and 1 amine group.",CC(=O)Nc1cccc(NC(C)C(=O)Nc2ccc3c(c2)OCO3)c1
AddComponent,Please add a nitrile to the molecule CCC1CCC[NH+](CCCC[NH2+]CC(C)C)CC1.,CCC1CCC[NH+](CCCC(C#N)[NH2+]CC(C)C)CC1
SubComponent,Modify the molecule CCNC1(C#N)CCCC([NH+]2CCC(COC)C2)C1 by substituting a nitrile with a thiol.,CCNC1(S)CCCC([NH+]2CCC(COC)C2)C1
DelComponent,Please remove a Nc1cc(S(=O)(=O)NCCC2CCC2)ccc1Cl from the molecule halo.,Nc1cccc(S(=O)(=O)NCCC2CCC2)c1
LogP,Please optimize the molecule COc1cc2c(cc1OC)C[NH+](CCNC(=O)Cc1ccccc1C(F)(F)F)CC2 to have a lower LogP value.,COc1cc2c(cc1OC)C[NH+](CCNC(=O)CC(F)(F)F)CC2
MR,Modify the molecule O=C(Nc1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 to have a lower MR value.,O=C(Nc1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1)c1cc(-c2ccc(O)s2)nc2ccccc12
QED,Please optimize the molecule N#CC1=C(C#N)N(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])NN1 to have a higher QED value.,N#CC1=C(C#N)N(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])N1
AtomNum,"The molecule consists of 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",Nc1ccc(-c2ccc(OC(F)F)c(OC3CCCC3)c2)nn1
BondNum,"Please generate a molecule with 10 single bonds, 3 rotatable bonds, and 22 aromatic bonds.",Oc1cc(-c2csc3ccccc23)cc2c1OCC[NH+](Cc1cccnc1)C2
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 halo group.",O=c1[nH]c(-c2ccc(F)cc2)cn2cccc12
AddComponent,Add a hydroxyl to the molecule NNC(Cc1ccc2ccccc2n1)C(F)F.,NNC(Cc1ccc2c(O)cccc2n1)C(F)F
SubComponent,Modify the molecule halo by substituting a Cc1ccc(C(=O)NC2CCCCC2C)cc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(F)c(NC(=O)c3ccc(F)cc3)c2)CC1 with a thiol.,Cc1ccc(C(=O)NC2CCCCC2C)cc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(S)c(NC(=O)c3ccc(F)cc3)c2)CC1
DelComponent,Remove a Cc1nn(-c2ccccc2)c(COC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1C#N from the molecule halo.,Cc1nn(-c2ccccc2)c(COC(=O)CCc2nc(-c3ccccc3)no2)c1C#N
LogP,Please optimize the molecule COc1ccccc1CC(=O)N1CCCn2nc(C(C)O)cc2C1 to have a higher LogP value.,CCc1cc2n(n1)CCCN(C(=O)Cc1ccccc1OC)C2
MR,Modify the molecule COCOCC1(c2ccccc2)C=C1 to have a higher MR value.,COCOCC1(c2ccccc2-c2ccccc2)C=C1
QED,Optimize the molecule N#Cc1c(NC(=O)c2ccccc2F)sc2c1CCC(c1ccccc1OCc1noc(F)n1)C2 to have a lower QED value.,CC(=O)c1ccccc1C(=O)Nc1sc2c(c1C#N)CCC(c1ccccc1OCc1noc(F)n1)C2
AtomNum,"The molecule consists of 23 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",Cc1cc(C)cc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c1
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 6 rotatable bonds, and 15 aromatic bonds.",COc1ccccc1C(C)NC(=O)c1cc2c(C)nn(CC(C)C)c2s1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ketone group, and 1 halo group.",CC[NH+]1CCC([NH+]2CCCC(C(=O)c3ccc(Cl)cc3)C2)CC1
AddComponent,Add a hydroxyl to the molecule CCc1c(N)[nH]c(-c2cccc(C)n2)nc1=O.,Cc1cccc(-c2nc(=O)c(CCO)c(N)[nH]2)n1
SubComponent,Substitute a halo in the molecule COc1ccc(F)c2nc(Cl)c(C)cc12 with a nitro.,COc1ccc(NO)c2nc(Cl)c(C)cc12
DelComponent,Modify the molecule CC([NH3+])C1CCCCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 by removing a halo.,CC([NH3+])C1CCCCN1C(=O)CCc1ccc(OC(F)F)cc1
LogP,Please optimize the molecule CC[NH+](CCO)C(C)c1nc2ccccc2n1CC[NH3+] to have a higher LogP value.,CC[NH+](CC)C(C)c1nc2ccccc2n1CC[NH3+]
MR,Modify the molecule [NH3+]Cc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C([NH2+]CC3CC3)c3ccc4ccccc4c3)c2)c1 to increase its MR value.,[NH3+]Cc1cccc(-n2nc(C(O)(F)F)cc2C(=O)Nc2cccc(C([NH2+]CC3CC3)c3ccc4ccccc4c3)c2)c1
QED,Please optimize the molecule C1=CCC(c2ccc(-c3ccccc3)[nH]2)C=C1 to have a lower QED value.,C1=CCC(c2ccc[nH]2)C=C1
AtomNum,"There is a molecule with 15 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCCCC[NH2+]Cc1nnc(-c2ccc(OC)cc2)o1
BondNum,"The molecule is composed of 11 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",Cc1cccc(N2C(=O)N(C)CC2C(=O)[O-])c1C
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 hydroxyl group, and 3 ketone groups.",CC(C)(O)C(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1
AddComponent,Add a hydroxyl to the molecule CC(C)(C)c1nc(CCNc2ncccc2C#N)cs1.,CC(C)(C)c1nc(CCNc2ncc(O)cc2C#N)cs1
SubComponent,Please substitute a halo in the molecule CCCC(=O)N1CCC2(CC1)NC(=O)c1cc(Cl)ccc1N2 with a aldehyde.,CC(=O)c1ccc2c(c1)C(=O)NC1(CCN(C(=O)CCC)CC1)N2
DelComponent,Remove a amine from the molecule NC(=O)c1cnc2nc(N)[nH]c(N)c1-2.,NC(=O)c1cnc2nc(N)[nH]cc1-2
LogP,Modify the molecule FC(F)(F)C(C1=CCCC=C1)(c1ccccc1)C(F)(F)F to decrease its LogP value.,OC(F)(F)C(C1=CCCC=C1)(c1ccccc1)C(F)(F)F
MR,Modify the molecule Oc1ccccc1-c1cc(-c2cccs2)cc(-c2ccc(Cl)cc2)n1 to have a lower MR value.,N#Cc1ccc(-c2cc(-c3cccs3)cc(-c3ccccc3O)n2)cc1
QED,Modify the molecule C=C(C)c1ccc(Cl)cc1C(=O)OC to have a higher QED value.,C=C(C)c1ccc(O)cc1C(=O)OC
AtomNum,"The molecule has 19 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(NC(C[NH+]1CCOCC1)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]
BondNum,"Please generate a molecule composed of 16 single bonds, 3 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",COc1cc(C=NNC(=O)C(NC(=O)c2ccccc2F)C(C)C)ccc1OCc1ccccc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amine group.",CCC[NH+](C(C)CNc1ccccc1)C1CC1
AddComponent,Please add a amine to the molecule COc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1Br.,COc1ccc(C(=O)N(Cc2cnccc2N)C2CC2)cc1Br
SubComponent,Modify the molecule halo by substituting a O=C(Cl)C1(Cl)CCCCCC1 with a thiol.,O=C(S)C1(Cl)CCCCCC1
DelComponent,Remove a amine from the molecule CC(C)C[NH+]1CCOC(CNC(Nc2ccc(OC(C)C)cc2)=[NH+]Cc2nncn2C)C1.,CC(C)C[NH+]1CCOC(CC(Nc2ccc(OC(C)C)cc2)=[NH+]Cc2nncn2C)C1
LogP,Please modify the molecule Cc1ccc(NC(=O)Nc2cc(-c3ccccc3C(=O)[O-])cc(F)c2N(CC(C)C)C2CCCCC2)cc1 to decrease its LogP value.,Cc1ccc(NC(=O)Nc2cc(-c3ccccc3C(=O)[O-])cc(NO)c2N(CC(C)C)C2CCCCC2)cc1
MR,Optimize the molecule Cc1cnc(OCC2CCC[NH2+]C2)c(Br)c1 to have a lower MR value.,Cc1cnc(OCC2CCC[NH2+]C2)c(O)c1
QED,Optimize the molecule CCNC(=O)CN(CC)C(c1ccccn1)C(C)[NH3+] to have a lower QED value.,CCNC(=O)CN(CC)C(c1ncccc1O)C(C)[NH3+]
AtomNum,"There is a molecule consisting of 36 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",CCN(CC)C(=O)c1ccc(C)c(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)NC(C)C)c3C)CC2)c1
BondNum,"The molecule is composed of 20 single bonds, 2 double bonds, 8 rotatable bonds, and 11 aromatic bonds.",C[NH+]=C(NCCC(=O)Nc1ccc(C)cc1Cl)NCC(c1ccco1)[NH+]1CCCCC1
FunctionalGroup,The molecule consists of and 1 halo group.,O=C([O-])c1nn2c(c1Br)OCCC2
AddComponent,Please add a nitrile to the molecule Cn1cc(C(=O)Nc2cc(Cl)c(CC(=O)N3CC([NH+]4CCN(C(=O)C(C)(C)C)CC4)CC3COC3CCC(C(=O)[O-])CC3)cc2Cl)c2ccccc21.,Cn1cc(C(=O)Nc2cc(Cl)c(CC(=O)N3CC([NH+]4CCN(C(=O)C(C)(C)CC#N)CC4)CC3COC3CCC(C(=O)[O-])CC3)cc2Cl)c2ccccc21
SubComponent,Modify the molecule halo by substituting a CC(=O)NCCc1ccc(C(=O)COc2ccc(Cl)cc2Cl)s1 with a nitrile.,CC(=O)NCCc1ccc(C(=O)COc2ccc(C#N)cc2Cl)s1
DelComponent,Remove a O=C(NC1C[NH2+]CC1c1ccccc1)C1CCCO1 from the molecule amide.,c1ccc(C2C[NH2+]CC23CCCO3)cc1
LogP,Modify the molecule c1ccc(Nc2nccc(NCCC[NH+]3CCOCC3)n2)cc1 to decrease its LogP value.,Nc1nccc(NCCC[NH+]2CCOCC2)n1
MR,Optimize the molecule Cc1nc(-c2cccc(NC(=O)N(CC3CCCCC3)C3CC3)c2)no1 to have a lower MR value.,Cc1nc(NC(=O)N(CC2CCCCC2)C2CC2)no1
QED,Please modify the molecule COC1CCCCC1(O)Cc1ccc(Br)cc1F to decrease its QED value.,COC1CCCCC1(O)Cc1ccc(Br)c(N)c1F
AtomNum,"There is a molecule composed of 12 carbon atoms, 3 oxygen atoms, and 6 nitrogen atoms.",COCc1nc(CNc2nc(C)nc3onc(C)c23)no1
BondNum,"There is a molecule consisting of 11 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",CC1CN(C(=O)c2cncc(N)n2)C(C)CO1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, and 2 halo groups.",CC(C)OC(=O)c1cccnc1N1CCOC(c2ccc(F)c(Cl)c2)C1
AddComponent,Modify the molecule [NH3+]CC(C[NH3+])Nc1cn[nH]c(=O)c1Cl by adding a carboxyl.,[NH3+]CC(C[NH3+])(Nc1cn[nH]c(=O)c1Cl)C(=O)O
SubComponent,Modify the molecule Cc1cc(C(F)(F)F)nn1-c1nc(Nc2ccc(F)c(Cl)c2)ncc1-c1cncc(C(=O)NCC[NH+]2CCN(C)CC2)c1 by substituting a halo with a aldehyde.,CC(=O)C(F)(F)c1cc(C)n(-c2nc(Nc3ccc(F)c(Cl)c3)ncc2-c2cncc(C(=O)NCC[NH+]3CCN(C)CC3)c2)n1
DelComponent,Please remove a [NH3+]Cc1ccccc1CC(=O)Nc1ncc(Br)s1 from the molecule halo.,[NH3+]Cc1ccccc1CC(=O)Nc1nccs1
LogP,Please modify the molecule COc1ccc(C2(CNC(=O)CS(=O)(=O)C3CCCC3)CCCCC2)cc1 to decrease its LogP value.,COc1ccc(C2(CNC(=O)CS(=O)(=O)C3CCCC3)CCCCC2)cc1O
MR,Optimize the molecule COC1(CNc2ccc(S(N)(=O)=O)cc2F)CCC1 to have a higher MR value.,COC1(CNc2ccc(S(N)(=O)=O)cc2)CCC1
QED,Optimize the molecule COc1ccc(N(F)F)c(F)c1Cl to have a lower QED value.,COc1ccc(N(F)F)cc1Cl
AtomNum,"There is a molecule consisting of 15 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CCC(C)C(c1ccccc1)c1nc(-c2ncn[nH]2)no1
BondNum,"The molecule consists of 6 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CC(=O)Nc1ccc(C(=O)c2ccc(N)cc2)cc1
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 2 amine groups, 1 halo group, and 2 sulfone groups.",Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
AddComponent,Add a benzene ring to the molecule CC(C)NC(=O)C12CC1CN(c1ccc(F)cc1)C2=O.,CC(C)NC(=O)C12C(=O)N(c3ccc(F)cc3)CC1C2c1ccccc1
SubComponent,Modify the molecule halo by substituting a C#CCCC(=O)c1ccc(F)cc1Br with a aldehyde.,CC(=O)c1ccc(C(=O)CCC#C)c(Br)c1
DelComponent,Modify the molecule benzene ring by removing a CCC(=O)OC(C)COc1ccccc1.,CCC(=O)OC(C)CO
LogP,Please optimize the molecule O=C(Nc1ccc(Cl)cc1)c1ccc(C(=O)[O-])c(NC(=O)c2sccc2Br)c1 to have a lower LogP value.,O=C(NCl)c1ccc(C(=O)[O-])c(NC(=O)c2sccc2Br)c1
MR,Optimize the molecule Cc1cccc(SC2CCN(C(=O)CCNS(C)(=O)=O)CC2)c1 to have a lower MR value.,CSC1CCN(C(=O)CCNS(C)(=O)=O)CC1
QED,Modify the molecule C=CC(=O)N1CC(Nc2nc(Nc3ccc(N4CCC([NH+]5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1 to decrease its QED value.,C=CC(=O)N1CC(Nc2nc(Nc3ccc(N4CCC([NH+]5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CCc2ccccc2)C1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 fluorine atoms.",CCC(C)(CC)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F
BondNum,"Please generate a molecule with 11 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(Cl)c(Cl)c1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 hydroxyl group, 1 ketone group, and 1 amide group.",CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2C)C1c1ccc(O)cc1
AddComponent,Modify the molecule O=S(=O)(Cl)CCc1cc2c(s1)CCOC2 by adding a amine.,Nc1c(CCS(=O)(=O)Cl)sc2c1COCC2
SubComponent,Please substitute a CCCCCCCCC=CCOCC1OCC(O)C(O)C1O in the molecule hydroxyl with a thiol.,CCCCCCCCC=CCOCC1OCC(S)C(O)C1O
DelComponent,Please remove a benzene ring from the molecule Cc1nc(Cc2ccccc2)sc1C(=O)NCCn1cccn1.,Cc1nc(C)c(C(=O)NCCn2cccn2)s1
LogP,Modify the molecule C=C1CCN(C(=O)C2CC[NH2+]C2)CC1 to decrease its LogP value.,C=C1CCN(C(=O)C2C[NH2+]C(CC=O)C2)CC1
MR,Please modify the molecule Cc1ccc(C2CC3CCC(C2c2nc4cc(Cl)c(Cl)cc4[nH]2)[NH+]3C)cc1 to increase its MR value.,Cc1ccc(C2CC3CCC(C2c2nc4c(CC=O)c(Cl)c(Cl)cc4[nH]2)[NH+]3C)cc1
QED,Modify the molecule O=[N+]([O-])c1cn2c(n1)OCC(OCc1cccc(-c3cccc(OCCCI)c3)c1)C2 to have a higher QED value.,O=[SH]c1cn2c(n1)OCC(OCc1cccc(-c3cccc(OCCCI)c3)c1)C2
AtomNum,"There is a molecule composed of 13 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCC1[NH2+]C(C)N(C2CC[NH+](C3CC3)C2)C1=O
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",Cc1cnc(COc2ccn(C3=Cc4ccc(C[NH2+]CCF)cc4CC3)c(=O)c2)s1
FunctionalGroup,The molecule consists of and 1 benzene ring group.,COc1ccc(CN2CC3(CC[NH2+]CC3)OC2=O)cc1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C2=COCC=C2)c(Cl)c1.,Cc1cc(Cl)c(C2=COCC=C2)cc1-c1ccccc1
SubComponent,Please substitute a O=c1c2ccsc2[nH]c(=S)n1CCF in the molecule halo with a aldehyde.,CC(=O)CCn1c(=S)[nH]c2sccc2c1=O
DelComponent,Please remove a benzene ring from the molecule CCOCCCNC(=O)C=C(C)c1cc2c(-c3ccc(Br)cc3)coc2cc1OCC.,CCOCCCNC(=O)C=C(C)c1cc2c(Br)coc2cc1OCC
LogP,Please modify the molecule CNc1nc(N(C)CC2CC2C)nc(-n2cncn2)n1 to decrease its LogP value.,CNc1nc(N(C)CC2(O)CC2C)nc(-n2cncn2)n1
MR,Please modify the molecule CCOc1ccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCc4ccccc4Cl)cc32)cc1 to increase its MR value.,CC(=O)c1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1ccc(OCC)cc1)C(=O)c1ccccc1S2
QED,Please modify the molecule C1=Cc2cc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)ccc2CC1 to decrease its QED value.,C1=Cc2cc(N(c3ccccc3)c3cc(-c4ccccc4)c(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)ccc2CC1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCc1cc(C(=O)N2CC3C[NH+](Cc4ccccc4)CC3C2)cc(=O)[nH]1
BondNum,"There is a molecule consisting of 3 single bonds, 3 triple bonds, and 33 aromatic bonds.",N#Cc1ccc2[nH]c3c4[nH]c5ccc(C#N)cc5c4c4c5cccc(C#N)c5[nH]c4c3c2c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ester group, 2 halo groups, and 1 sulfide group.",COC(=O)c1sc(-c2cc(Cl)ccc2OC)nc1Cl
AddComponent,Modify the molecule OC(C[NH2+]C1CC1)Cc1sccc1Br by adding a benzene ring.,OC(C[NH2+]C1CC1)C(c1ccccc1)c1sccc1Br
SubComponent,Substitute a COc1ccc(C[NH+](C)CCN(C)C)c(O)c1 in the molecule hydroxyl with a aldehyde.,CC(=O)c1cc(OC)ccc1C[NH+](C)CCN(C)C
DelComponent,Modify the molecule Cc1cc(C2CCCN2C(=O)c2cccc(N3CCCC3=O)c2)on1 by removing a benzene ring.,Cc1cc(C2CCCN2C(=O)N2CCCC2=O)on1
LogP,Please optimize the molecule O=CC1=NC(c2cncs2)=[NH+]C(=O)C1 to have a higher LogP value.,O=CC1=NC1c1cncs1
MR,Please modify the molecule CCC(Nc1ccc(N)c(OCC(C)C)n1)c1nccs1 to decrease its MR value.,CCC(c1ccc(N)c(OCC(C)C)n1)c1nccs1
QED,Optimize the molecule Cc1cn(-c2ccc(C=CC(=O)NNC(=O)C(CCCCl)c3cc(F)c(F)c(F)c3)cc2F)cn1 to have a higher QED value.,Cc1cn(-c2ccc(C=CC(=O)NNC(=O)C(CCCO)c3cc(F)c(F)c(F)c3)cc2F)cn1
AtomNum,"The molecule consists of 12 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)=CC(=O)NCCCN1CC[NH2+]CC1
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CCC(CC)CN(CC)C(=O)c1cccc(C)c1I
FunctionalGroup,"The molecule contains 1 benzene ring group, 3 ester groups, and 6 amide groups.",CCCCCCC(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1C)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)CCC(=O)OC(C)(C)C)C(C)(C)C)C(OC)OC
AddComponent,Please add a hydroxyl to the molecule O=C(NCc1ccn(C2CCCC2)n1)NCC1SCCc2ccccc21.,O=C(NCC1SCCc2ccccc21)NC(O)c1ccn(C2CCCC2)n1
SubComponent,Modify the molecule COC(=O)C(C)CS(=O)Cc1ccc(F)cc1 by substituting a halo with a nitrile.,COC(=O)C(C)CS(=O)Cc1ccc(C#N)cc1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2c(Cl)cccc2Cl)C(Cc2ccccc2)C(=O)NCC(C)C)c2ccccc2OC)cc1.,COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2c(Cl)cccc2Cl)C(Cc2ccccc2)C(=O)NCC(C)C)OC)cc1
LogP,Modify the molecule Clc1nnc(Cc2nc3ccccc3s2)c2ccccc12 to have a lower LogP value.,c1ccc2c(Cc3nc4ccccc4s3)nncc2c1
MR,Optimize the molecule COc1cc(OCCc2ccc(C(F)(F)F)cc2)c(F)cc1CNC(=O)C1CCC[NH2+]1 to have a lower MR value.,COc1cc(OCCc2ccc(C(F)(F)F)cc2)c(F)cc1C1CCC[NH2+]1
QED,Please modify the molecule CCC(CC(N)=[NH+]O)Nc1cc(I)ccc1Br to increase its QED value.,CCC(CC(N)=[NH+]Cl)Nc1cc(I)ccc1Br
AtomNum,"Please generate a molecule consisting 11 carbon atoms, and 5 oxygen atoms.",CC(=O)OC1CC(=O)OC(c2ccoc2)C1
BondNum,"Please generate a molecule with 15 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOC(C)C2)cc1C
FunctionalGroup,"The molecule consists of 1 hydroxyl group, 1 ester group, 1 amine group, and 1 sulfide group.",COC(=O)Cc1csc2ccc(O)c(N)c12
AddComponent,Add a benzene ring to the molecule Cc1ccc(C(=O)NC2CCCCC2C)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2cc(NC(=O)C(C)C)ccc2F)CC1.,Cc1ccc(C(=O)NC2C(C)CCCC2c2ccccc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2cc(NC(=O)C(C)C)ccc2F)CC1
SubComponent,Substitute a hydroxyl in the molecule CCN(CC)S(=O)(=O)c1cc(CO)cc(Br)c1C with a nitrile.,CCN(CC)S(=O)(=O)c1cc(CC#N)cc(Br)c1C
DelComponent,Please remove a benzene ring from the molecule CCOc1c(Br)cc(C2C(C(=O)Nc3ccccc3)C(=O)CC(C)(O)C2C(=O)Nc2ccccc2)cc1OC.,CCOc1c(Br)cc(C2C(C(=O)Nc3ccccc3)C(=O)CC(C)(O)C2C(N)=O)cc1OC
LogP,Optimize the molecule CCCN(CCC)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nn1 to have a lower LogP value.,CCCN(CCC)c1ccc(C(=O)N2CCN(c3ccc(NO)cc3)CC2)nn1
MR,Modify the molecule COc1ccccc1N1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)CC1 to have a lower MR value.,CON1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)CC1
QED,Optimize the molecule Cc1nnc(N2N=C(c3cccc(F)c3)SC2(CCC[NH3+])c2ccccc2)s1 to have a lower QED value.,CC(=O)c1cccc(C2=NN(c3nnc(C)s3)C(CCC[NH3+])(c3ccccc3)S2)c1
AtomNum,"The molecule is composed of 23 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cc1ccc(NC(=O)CCNC(=O)Nc2ccccc2N(C)c2ccccc2)nc1
BondNum,"There is a molecule consisting of 6 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C([O-])c1ccnc(SCC(=O)c2ccccc2)c1
FunctionalGroup,"The molecule has 1 benzene ring group, and 3 halo groups.",CCCCCCCCOc1cnc(-c2ccc(CCCC(C)F)c(F)c2F)nc1
AddComponent,Modify the molecule CCN1CCN(C2C[NH+](Cc3ncno3)C2)CC1 by adding a hydroxyl.,CCN1CCN(C2C[NH+](Cc3ncno3)C2)CC1O
SubComponent,Substitute a hydroxyl in the molecule CCC1(O)OC(C)(COCC2(C)C(C)C(C)(O)C(C)(COCC3(C)C(C)C(C)(O)C(OCC4(O)OC(C)(COCC5(C)C(C)C(C)(O)C(C)(COCC6(C)C(C)C(C)(O)C(C)(COC)OC6(O)CO)OC5(O)CO)C(C)(O)C(C)C4(C)O)OC3(O)CO)OC2(O)CO)C(C)(O)C(C)C1(C)O with a carboxyl.,CCC1(C(=O)[OH])OC(C)(COCC2(C)C(C)C(C)(O)C(C)(COCC3(C)C(C)C(C)(O)C(OCC4(O)OC(C)(COCC5(C)C(C)C(C)(O)C(C)(COCC6(C)C(C)C(C)(O)C(C)(COC)OC6(O)CO)OC5(O)CO)C(C)(O)C(C)C4(C)O)OC3(O)CO)OC2(O)CO)C(C)(O)C(C)C1(C)O
DelComponent,Modify the molecule COc1ccc(OC(=O)C(Cc2ccccc2)NS(C)(=O)=O)cc1 by removing a amine.,COc1ccc(OC(=O)C(Cc2ccccc2)S(C)(=O)=O)cc1
LogP,Optimize the molecule O=C(NC(c1ccccc1)c1ccsc1)C1CC[NH+](CCOc2ccccc2)CC1 to have a higher LogP value.,c1ccc(OCC[NH+]2CCC(c3ccccc3)(c3ccsc3)CC2)cc1
MR,Modify the molecule [NH3+]C(CO)C(=O)NC(CS)C(=O)N1CCCC1C(=O)NC(Cc1cnc[nH]1)C(=O)[O-] to have a higher MR value.,[NH3+]C(O)(CO)C(=O)NC(CS)C(=O)N1CCCC1C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]
QED,Please optimize the molecule O=C(NO)c1ccc(C=C(CNc2cnc3ccccc3c2)COc2nc3ccccc3s2)cc1 to have a higher QED value.,O=C(NS)c1ccc(C=C(CNc2cnc3ccccc3c2)COc2nc3ccccc3s2)cc1
AtomNum,"There is a molecule composed of 24 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1ccccc1CCNC(=O)CC(=O)N1CCC(Cc2ccccc2)CC1
BondNum,"The molecule consists of 6 single bonds, 1 triple bond, 3 rotatable bonds, and 5 aromatic bonds.",CC#CC[NH2+]Cc1csc(C)n1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",CCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)Nc1ccc(CC)cc1
AddComponent,Add a carboxyl to the molecule CC(C)[NH+](CCC(C1=CC(C=O)CC=C1OCc1ccccc1)c1ccccc1)C(C)C.,CC(C)[NH+](CCC(C1=CC(C=O)CC=C1OCc1ccccc1)c1ccccc1)C(C)CC(=O)O
SubComponent,Modify the molecule halo by substituting a CCNC(Nc1ccc2c(c1)OCCCO2)=[NH+]Cc1ccc(F)c(COC)c1 with a hydroxyl.,CCNC(Nc1ccc2c(c1)OCCCO2)=[NH+]Cc1ccc(O)c(COC)c1
DelComponent,Remove a amine from the molecule Nc1ccc2c(Br)cccc2c1.,Brc1cccc2ccccc12
LogP,Optimize the molecule O=C(c1ccc(Cl)cc1)c1ccc(Cc2nc3[nH]c(=O)[nH]c(=O)c3[nH]2)cc1 to have a lower LogP value.,O=C(c1ccc(O)cc1)c1ccc(Cc2nc3[nH]c(=O)[nH]c(=O)c3[nH]2)cc1
MR,Modify the molecule CC(C)(C)OC(=O)N1CCC(c2[nH]nc3c(C(N)=O)cc(-c4cccc(NS(C)(=O)=O)c4)cc23)CC1 to decrease its MR value.,CC(C)(C)OC(=O)N1CCC(c2[nH]nc3c(C(N)=O)cc(-c4cccc(S(C)(=O)=O)c4)cc23)CC1
QED,Modify the molecule COc1cc(C2C3=CCC4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)C4C3CC3=C2C(=O)C(C)=CC3=O)cc(Cl)c1O to decrease its QED value.,COc1cc(Cl)cc(C2C3=CCC4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)C4C3CC3=C2C(=O)C(C)=CC3=O)c1
AtomNum,"There is a molecule composed of 26 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 2 chlorine atoms.",[C-]#[N+]c1cccc(Cl)c1Oc1cc(C2CC(=O)N(c3ccc4ccnc(N)c4c3)C2)ccc1Cl
BondNum,"There is a molecule composed of 15 single bonds, 1 double bond, 6 rotatable bonds, and 16 aromatic bonds.",CC(Cn1ncc2ccc3c(c21)OC(CO)CO3)NC(=O)OCc1ccccc1
FunctionalGroup,There is a molecule composed of and 2 amide groups.,CCCCCCN([O-])C(CC(N)=O)C(N)=O
AddComponent,Modify the molecule [NH3+]C1(c2cncc3ccccc23)Cc2ccccc2C1 by adding a hydroxyl.,[NH3+]C1(c2cncc3ccccc23)Cc2ccccc2C1O
SubComponent,Modify the molecule CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)c1ccc(F)cc1F by substituting a halo with a carboxyl.,CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)c1ccc(C(=O)[OH])cc1F
DelComponent,Please remove a hydroxyl from the molecule CC(C)(C)C(NC(=O)N1CCCC(O)C1)C(=O)[O-].,CC(C)(C)C(NC(=O)N1CCCCC1)C(=O)[O-]
LogP,Optimize the molecule Cc1nc2sc(Cc3cccs3)nn2c1CO to have a higher LogP value.,CC(=O)Cc1c(C)nc2sc(Cc3cccs3)nn12
MR,Modify the molecule CC1CC1C(=O)OCC(=O)Nc1nc2ccc(Br)cc2s1 to increase its MR value.,CC1CC1C(=O)OCC(=O)Nc1nc2ccc(Br)c(N)c2s1
QED,Modify the molecule CC(C)COC(=O)Nc1cccc(NC(=O)NC(C)C(C)C)c1 to decrease its QED value.,CC(C)COC(=O)NNC(=O)NC(C)C(C)C
AtomNum,"The molecule consists of 16 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CCC([NH2+]CC(O)C([NH3+])Cc1ccccc1)c1cn[nH]c1
BondNum,"Please generate a molecule composed of 12 single bonds, 2 double bonds, and 1 rotatable bond.",O=C=NC1CCCCCCCCCC1
FunctionalGroup,"Please generate a molecule composed of 6 hydroxyl groups, and 1 amide group.",CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(C)C(O)C(O)CCCCCCCCCCCCC(C)OC1OC(CO)C(O)C(O)C1O
AddComponent,Add a benzene ring to the molecule C=CC(=O)NCCOC(=O)CS(=O)(=O)C(C)C.,C=C(C(=O)NCCOC(=O)CS(=O)(=O)C(C)C)c1ccccc1
SubComponent,Modify the molecule COc1ccc(Cl)c(NC2=[NH+]c3ccccc3N(OC)C2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)[NH3+])c2)c1 by substituting a halo with a thiol.,COc1ccc(S)c(NC2=[NH+]c3ccccc3N(OC)C2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)[NH3+])c2)c1
DelComponent,Modify the molecule amide by removing a CC(=O)Nc1cc(Cl)ccc1C=CC(=O)N1CC2CC1C[NH+]2Cc1ccc(F)cc1.,O=C(C=Cc1ccc(Cl)cc1)N1CC2CC1C[NH+]2Cc1ccc(F)cc1
LogP,Optimize the molecule Nc1cccc(C(=O)Nc2cnn3c2CCCC3)c1 to have a lower LogP value.,NC(=O)Nc1cnn2c1CCCC2
MR,Modify the molecule C=CC(CCCCCC)C(O)CCCCO to decrease its MR value.,C=CC(CCCCCC)CCCCCO
QED,Modify the molecule CCC(Oc1ccccc1C)C(=O)N1CCCCCC1 to have a lower QED value.,Cc1ccccc1OC(C)C1CCCCC1
AtomNum,"There is a molecule composed of 9 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 bromine atom.",Oc1cc(C2CC[NH2+]2)ccc1Br
BondNum,"The molecule contains 15 single bonds, 1 double bond, 5 rotatable bonds, and 15 aromatic bonds.",CC1CC[NH+](Cc2csc(NC(=O)c3cnc4onc(C(C)C)c4c3)n2)CC1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, 1 amine group, and 2 sulfone groups.",CCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
AddComponent,Modify the molecule [NH3+]C(CO)c1nc(C2CSCCS2)no1 by adding a carboxyl.,[NH3+]C(CO)c1nc(C2CSCC(C(=O)O)S2)no1
SubComponent,Please substitute a CCCOc1cc(C)c(CC(C)CS)c(C)c1C in the molecule thiol with a aldehyde.,CC(=O)CC(C)Cc1c(C)cc(OCCC)c(C)c1C
DelComponent,Remove a amide from the molecule COc1ccc(C2=NOC(C)(C(=O)NCC3(C[NH+]4CCOCC4)CCOCC3)C2)cc1.,COc1ccc(C2=NOCC2CC2(C[NH+]3CCOCC3)CCOCC2)cc1
LogP,Optimize the molecule COCCn1ncc(Br)c1C(O)c1cccc(C)c1F to have a higher LogP value.,CC(=O)C(c1cccc(C)c1F)c1c(Br)cnn1CCOC
MR,Please optimize the molecule CC1CCC(O)(CNc2cc(C#N)ccc2[N+](=O)[O-])CC1 to have a higher MR value.,CC1CCC(O)(CNc2cc(C#N)ccc2[N+](=O)[O-])C(C(=O)O)C1
QED,Modify the molecule Clc1ccccc1COc1cccc2ccc(N3CCCCC3)nc12 to have a higher QED value.,c1ccc(COc2cccc3ccc(N4CCCCC4)nc23)cc1
AtomNum,"Please generate a molecule with 20 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",[NH3+]C(Cc1ccccc1)c1nnc(NCC2CCC[NH+]3CCCCC23)o1
BondNum,"The molecule contains 9 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",NC(=O)CN(Cc1cccc(N)c1)C(=O)Cc1ccsc1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 1 ester group, 2 amine groups, 2 halo groups, and 1 nitrile group.",CCOC(=O)C1C2CCC(C2)C1Nc1c(F)c(Oc2cccc(C3=[NH+]CCN3C)c2)[nH+]c(Oc2cc(C#N)ccc2OCc2ccccc2)c1F
AddComponent,Add a hydroxyl to the molecule CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(Cl)c1F)n2Cc1ccc(C(F)(F)F)cc1.,CCOC(=O)c1cc2nc(SCc3cccc(Cl)c3F)n(Cc3ccc(C(F)(F)F)cc3)c2cc1O
SubComponent,Substitute a halo in the molecule Cc1cc(C(=O)N(CCC(=O)Nc2ccccc2F)CC2CCCO2)c(C)o1 with a thiol.,Cc1cc(C(=O)N(CCC(=O)Nc2ccccc2S)CC2CCCO2)c(C)o1
DelComponent,Modify the molecule Cc1cc(C(=O)Nc2ccc(Oc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c(C)o1 by removing a benzene ring.,Cc1cc(C(=O)NOc2ccc(-n3nc(C)c(C)c3C)nn2)c(C)o1
LogP,Optimize the molecule COc1ccc(-c2ncc(C(C)C)nc2-c2ccc(OC)cc2)cc1 to have a lower LogP value.,COc1ccc(-c2ncc(C(C)C)nc2OC)cc1
MR,Please modify the molecule FC(F)(F)c1cc(CON2CCCC(c3ccc(Cl)c(Cl)c3)C2)cc(C(F)(F)F)c1 to increase its MR value.,CC(=O)C(F)(F)c1cc(CON2CCCC(c3ccc(Cl)c(Cl)c3)C2)cc(C(F)(F)F)c1
QED,Modify the molecule N#Cc1ccc(N2CCC(NC(=O)c3ccc[nH]3)CC2)cc1Cl to have a lower QED value.,N#Cc1c(Cl)cc(N2CCC(NC(=O)c3ccc[nH]3)CC2)cc1C(=O)O
AtomNum,"The molecule consists of 10 carbon atoms, 3 nitrogen atoms, and 1 chlorine atom.",N#CC1CNNC1c1ccc(Cl)cc1
BondNum,"There is a molecule with 15 single bonds, and 7 rotatable bonds.",CC(C)(CCCl)[NH2+]CCC[NH+]1CCCC1
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,COc1cc(NC(=O)NC(C)c2ccc(C)nc2)cc(OC)c1OC
AddComponent,Add a hydroxyl to the molecule Cc1ncc(C(F)F)c(C=O)c1Cl.,Cc1ncc(C(F)F)c(C(=O)O)c1Cl
SubComponent,Modify the molecule halo by substituting a CCC(NC(=O)C=Cc1ccc(Cl)cc1Cl)c1ccccc1 with a nitro.,CCC(NC(=O)C=Cc1ccc(NO)cc1Cl)c1ccccc1
DelComponent,Please remove a benzene ring from the molecule NS(=O)(=O)c1ccc(OCCOC(=O)CCCc2nc3ccccc3s2)cc1.,NS(=O)(=O)OCCOC(=O)CCCc1nc2ccccc2s1
LogP,Please modify the molecule COC(=O)c1sccc1NC(=O)COC(=O)c1ccc(Br)o1 to decrease its LogP value.,COC(=O)c1sccc1NC(=O)COC(=O)c1cc(O)c(Br)o1
MR,Please modify the molecule C[NH+]1CC(C)(C)CCC1C(=O)[O-] to increase its MR value.,CC1(C)CCC(C(=O)[O-])[NH+](CS)C1
QED,Please modify the molecule COc1ccc(OC)c(C(C)NC(=O)COc2cccc([N+](=O)[O-])c2)c1 to decrease its QED value.,COc1ccc(OC)c(C(C)NC(=O)COc2cccc([N+](=O)[O-])c2)c1C(=O)O
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, and 1 fluorine atom.",COCC(=O)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccc(F)cc2)CC1
BondNum,"There is a molecule consisting of 7 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",c1cnn(-c2ccc(C3=[NH+]CCCN3)cc2)c1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, and 2 amide groups.",COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1cccc(C)c1
AddComponent,Add a benzene ring to the molecule FC(C1CCC1)C1CCC[NH2+]1.,FC(C1CCC1)C1[NH2+]CCC1c1ccccc1
SubComponent,Substitute a halo in the molecule O=C(NC(NC1CCOCC1)=[NH+]C1CC(c2ccc(F)cc2)NN1)c1ccc(Cl)c(F)c1 with a aldehyde.,CC(=O)c1ccc(C2CC([NH+]=C(NC(=O)c3ccc(Cl)c(F)c3)NC3CCOCC3)NN2)cc1
DelComponent,Modify the molecule CC(C)(O)C[NH+]1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 by removing a hydroxyl.,CC(C)C[NH+]1CCN(Cc2ccc(C(=O)[O-])cc2)CC1
LogP,Modify the molecule CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(NNCC(=O)C(=O)OCC5c6ccccc6-c6ccccc65)cc4)CC3)c(F)c2)C(=O)O1 to have a lower LogP value.,CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(NNCC(=O)C(=O)OCC5c6ccccc6-c6ccccc65)cc4)CC3)cc2)C(=O)O1
MR,Please optimize the molecule CC(C)c1ccc(C2(C)NC(=O)N(CC(O)COc3ccc(F)cc3)C2=O)cc1 to have a higher MR value.,CC(C)c1ccc(C2(C)NC(=O)N(CC(O)COc3ccc(O)cc3)C2=O)cc1
QED,Modify the molecule NC(=[NH+]NS(=O)(=O)c1ccccc1)c1cncc(Cl)n1 to have a lower QED value.,NC(=[NH+]NS(=O)(=O)c1ccc(N)cc1)c1cncc(Cl)n1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",CC([NH3+])Cc1cc(Cl)ccc1OCCCS(C)(=O)=O
BondNum,"The molecule contains 27 single bonds, 5 double bonds, 14 rotatable bonds, and 17 aromatic bonds.",C=CCOC(=O)NC(Cc1cc(C2CCCN2C(=O)Cc2ccc(NC(=O)c3c(OC)cccc3OC)cc2)no1)C(=O)OCC
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, 2 halo groups, and 1 sulfone group.",O=S(=O)(NCc1ccccc1F)c1cnc(Cl)nc1
AddComponent,Modify the molecule CC(C(=O)N1CCC(CBr)CC1)C1CC1 by adding a carboxyl.,CC(C(=O)N1CCC(CBr)CC1)C1(C(=O)O)CC1
SubComponent,Please substitute a COc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)c(Cl)c1Cl in the molecule halo with a nitro.,COc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)c(NO)c1Cl
DelComponent,Remove a benzene ring from the molecule Cc1cc(C(F)=Cc2ccc(C3(F)CCOCC3)cc2)nn1Cc1cccc(C2(CO)CC2)c1.,Cc1cc(C(F)=CC2(F)CCOCC2)nn1Cc1cccc(C2(CO)CC2)c1
LogP,Please modify the molecule CCNC(NCC[NH+](C)CCOC)=[NH+]CC1(c2ccccc2)CCC1 to increase its LogP value.,CCC(NCC[NH+](C)CCOC)=[NH+]CC1(c2ccccc2)CCC1
MR,Please modify the molecule CC1CN(c2ccc(C#N)nn2)CC(c2ccsc2)O1 to increase its MR value.,CC1CN(c2ccc(S)nn2)CC(c2ccsc2)O1
QED,Please optimize the molecule CCOc1ccc(CCNC(=O)C2CCC[NH+](Cc3cccc(F)c3)C2)cc1OCC to have a lower QED value.,CCOc1ccc(CCNC(=O)C2CCC[NH+](Cc3cccc(C(=O)[OH])c3)C2)cc1OCC
AtomNum,"There is a molecule with 14 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CS(=O)(=O)c1cccc(NCc2ccc(O)c(O)c2O)c1
BondNum,"Please generate a molecule consisting 15 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",O=C(CS(=O)CC(=O)N1CCOCC1)NCCc1ccccc1
FunctionalGroup,The molecule consists of and 2 amine groups.,Cn1cc2cccc(C3=[NH+]CCN3)c2n1
AddComponent,Add a hydroxyl to the molecule COc1ccc(C(=O)CC(C)(C)CC(C)CP)c(OC)c1.,COc1ccc(C(=O)CC(C)(C)CC(C)CP)c(OC)c1O
SubComponent,Modify the molecule CCOc1cc(C2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 by substituting a hydroxyl with a aldehyde.,CC(=O)c1cc(C)c(Cl)cc1-c1n[nH]c2c1C(c1ccc(OCc3ccccc3)c(OCC)c1)N(Cc1ccco1)C2=O
DelComponent,Remove a halo from the molecule CN1C(=O)OC2(CC[NH+](CCC(C)(C(=O)N(C)C(Cc3ccccc3)C(=O)NCC[NH3+])c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21.,CN1C(=O)OC2(CC[NH+](CCC(C)(C(=O)N(C)C(Cc3ccccc3)C(=O)NCC[NH3+])c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21
LogP,Please modify the molecule Cc1c(C#N)c(Nc2cccc(C(F)(F)F)c2)nc(N)c1N=Nc1ccc(F)cc1C(F)(F)F to decrease its LogP value.,Cc1c(C#N)c(Nc2cccc(C(F)(F)F)c2)nc(N)c1N=Nc1ccc(F)c(C(=O)O)c1C(F)(F)F
MR,Please optimize the molecule C=CCCCCCC(=O)c1cc(F)cc(F)c1 to have a higher MR value.,C=CCCC(O)CCC(=O)c1cc(F)cc(F)c1
QED,Please modify the molecule CC(C)C1CC(O)(CC2CCCN(S(C)(=O)=O)C2)C1 to decrease its QED value.,CC(C)C1CC(CC2CCCN(S(C)(=O)=O)C2)C1
AtomNum,"Please generate a molecule with 20 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1onc(-c2ccccc2)c1C(=O)OCc1cn2cccc(C)c2[nH+]1
BondNum,"Please generate a molecule consisting 22 single bonds, and 6 rotatable bonds.",CCCC(C)CC(NN)C12CC3CC(CC(C)(C3)C1)C2
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 3 halo groups, and 1 sulfide group.",Cc1ccc(OCCn2cc(C=C3SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)c3cc(Br)ccc32)cc1
AddComponent,Add a hydroxyl to the molecule O=c1cc(NCC(O)COc2cccc(Cl)c2Cl)nc2ccccn12.,O=c1cc(NCC(O)COc2cc(O)cc(Cl)c2Cl)nc2ccccn12
SubComponent,Please substitute a CCC(Sc1cc(C)ncn1)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N in the molecule nitrile with a halo.,CCC(Sc1cc(C)ncn1)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1I
DelComponent,Modify the molecule benzene ring by removing a CN(C)S(=O)(=O)N1CCN(c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc3n2)CC1.,CN(C)S(=O)(=O)N1CCN(c2cnc3ccc(-c4cncc(N[SH](=O)=O)c4)cc3n2)CC1
LogP,Please modify the molecule C=CC12OC(=O)N(CCCCn3cnc(-c4cccnc4)c3)C1C(C)C(=O)C(C)CC(C)(OC)C(OC1OC(C)CC([NH+](C)C)C1OC(=O)c1ccccc1)C(C)C(=O)C(C)C(=O)OC2CC to increase its LogP value.,C=CC12OC(=O)N(CCCCn3cnc(-c4cnccc4-c4ccccc4)c3)C1C(C)C(=O)C(C)CC(C)(OC)C(OC1OC(C)CC([NH+](C)C)C1OC(=O)c1ccccc1)C(C)C(=O)C(C)C(=O)OC2CC
MR,Please modify the molecule C=C(O)C(C(C)C)C(Cc1cccc(NCCO)n1)c1nn[n-]n1 to decrease its MR value.,C=C(O)C(C(C)C)C(Cc1cccc(NCC)n1)c1nn[n-]n1
QED,Optimize the molecule CC[NH+]1CCc2nc(NC(=O)c3cnn(-c4ccc(Br)cc4)c3C)sc2C1 to have a higher QED value.,CC[NH+]1CCc2nc(-c3(C)n(-c4ccc(Br)cc4)nc-3)sc2C1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",COc1cc(C)c(C(CC[NH3+])C2CC2)cc1Cl
BondNum,"The molecule has 12 single bonds, 2 double bonds, 7 rotatable bonds, and 16 aromatic bonds.",CCOCCn1c(=NC(=O)c2ccc(OCC)cc2)sc2cc(C)c(C)cc21
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, and 1 halo group.",Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1ccc(F)cc1
AddComponent,Add a amine to the molecule Cc1c(Br)cccc1NC(=O)N1CCC(CCC(=O)[O-])C1.,Cc1c(NC(=O)N2CCC(CCC(=O)[O-])C2)ccc(N)c1Br
SubComponent,Substitute a halo in the molecule C=CCc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 with a hydroxyl.,C=CCc1cccc2c1nc(COc1ccc(O)cc1)n2CCCC1CC[NH+](CCC[NH+]2CCCCC2)CC1
DelComponent,Remove a benzene ring from the molecule NNC(=O)CC([NH3+])c1cc(Br)ccc1F.,NNC(=O)CC([NH3+])(F)Br
LogP,Modify the molecule CSc1ccc(-c2nc3c(s2)C(O)CC(C)(C)C3)cc1 to have a higher LogP value.,CSc1ccc(-c2nc3c(s2)CCC(C)(C)C3)cc1
MR,Please modify the molecule C=CCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 to increase its MR value.,C=CCNC(=O)CN(c1ccc(C(C)C)cc1-c1ccccc1)S(=O)(=O)c1ccccc1
QED,Please modify the molecule Brc1ccc(-c2[nH]c3ccccc3c2-n2cncn2)cc1 to increase its QED value.,c1ccc(-c2[nH]c3ccccc3c2-n2cncn2)cc1
AtomNum,"There is a molecule composed of 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CN(C=C(C=CC=O)c1ccccn1)c1ccccc1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 12 aromatic bonds.",Cc1nc(SCC(=O)NC(C)c2ccccc2)c(C#N)c(C)c1C
FunctionalGroup,"The molecule contains 1 amide group, and 1 sulfide group.",O=C(NCC1CCC[NH2+]C1)c1csc(-c2cnccn2)n1
AddComponent,Please add a benzene ring to the molecule N#Cc1cccc(N2CCC3(CCCCC3)C2=O)c1.,N#Cc1cc(-c2ccccc2)cc(N2CCC3(CCCCC3)C2=O)c1
SubComponent,Substitute a CNc1cccc(C(=O)Nc2ccccc2Br)c1 in the molecule halo with a thiol.,CNc1cccc(C(=O)Nc2ccccc2S)c1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(CCc2[nH]cc[nH+]2)c(Br)c1.,COC(Br)Cc1[nH]cc[nH+]1
LogP,Modify the molecule CC(C)([NH3+])Cc1nc2cccc(F)c2o1 to decrease its LogP value.,CC(C)([NH3+])Cc1nc2ccccc2o1
MR,Please modify the molecule CNC(=O)C[NH+]1CCc2c(CNS(C)(=O)=O)nn(C(C)C)c2C1 to decrease its MR value.,CC(C)n1nc(CNS(C)(=O)=O)c2c1C[NH+](C)CC2
QED,Optimize the molecule CNC(=O)CC1(c2ccccc2)CC([O-])=C(Sc2ccccc2Cl)C(=O)O1 to have a lower QED value.,CNC(=O)CC1(c2ccccc2)CC([O-])=C(Sc2ccc(N)cc2Cl)C(=O)O1
AtomNum,"The molecule consists of 11 carbon atoms, 2 oxygen atoms, 1 sulfur atom, and 1 chlorine atom.",O=Cc1cc(Oc2ccccc2Cl)cs1
BondNum,"The molecule consists of 7 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCCC(Cl)CCc1cncnc1
FunctionalGroup,The molecule has and 1 amide group.,NC(=O)N1CCCc2cc(-c3cncc(C4(C(N)=O)CC4)c3)cnc21
AddComponent,Please add a amine to the molecule Cc1ccc2cc(NC(=O)CCCCNS(=O)C(C)C)ccc2n1.,Cc1ccc2cc(NC(=O)CCCCNS(=O)C(C)(C)N)ccc2n1
SubComponent,Please substitute a CC1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C(C)C[NH2+]1 in the molecule halo with a nitrile.,CC1CN(C(=O)Nc2cc(Cl)cc(C#N)c2)C(C)C[NH2+]1
DelComponent,Remove a amide from the molecule Cc1[nH]ncc1CNC(=O)C1CCN(C(=O)C(C)C)CC1.,Cc1[nH]ncc1CC1CCN(C(=O)C(C)C)C1
LogP,Optimize the molecule Fc1ccc(C(F)(F)F)c(-c2c(Cl)cc(Cl)cc2Cl)c1 to have a lower LogP value.,ONc1ccc(C(F)(F)F)c(-c2c(Cl)cc(Cl)cc2Cl)c1
MR,Modify the molecule [CH2]c1ccc(OC)c(C(F)(F)F)c1 to increase its MR value.,[CH2]c1ccc(OCc2ccccc2)c(C(F)(F)F)c1
QED,Please optimize the molecule COc1ccc(CCC(=O)N(C)C2CCC(C)CC2)cc1 to have a lower QED value.,COc1ccc(CC2(C)CCC(C)CC2)cc1
AtomNum,"The molecule contains 20 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CCCCCCCN=C1CC(C)(C)CC2=C1Sc1ncnc(OC)c1N2
BondNum,"The molecule has 7 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",COc1ccc(OC2CO2)cc1
FunctionalGroup,The molecule has and 1 amine group.,c1ccc2c(c1)CCC2Nc1ncnc2ccccc12
AddComponent,Modify the molecule CC(C)C[Si]12C[Si]3(CC(C)C)O[Si]4(CC(C)C)C[Si]5(CC(C)C)O[Si](CC(C)C)(C[Si](CCCOC(=O)CCCCCOc6ccc(C=O)cc6)(O1)O4)O[Si](CC(C)C)(C[Si](CC(C)C)(O3)O5)O2 by adding a benzene ring.,CC(C)C[Si]12C[Si]3(CC(C)C)O[Si]4(CC(C)C)C[Si]5(CC(C)C)O[Si](CC(C)C)(C[Si](CCCOC(=O)CCCC(COc6ccc(C=O)cc6)c6ccccc6)(O1)O4)O[Si](CC(C)C)(C[Si](CC(C)C)(O3)O5)O2
SubComponent,Modify the molecule hydroxyl by substituting a OC(CC1C[NH2+]CCC1O)c1ccccc1 with a nitro.,ONC(CC1C[NH2+]CCC1O)c1ccccc1
DelComponent,Remove a benzene ring from the molecule O=C([O-])CCC(NC(=O)Oc1cccc(CCCON([O-])[O-])c1)C(=O)[O-].,O=C([O-])CCC(NC(=O)OCCCON([O-])[O-])C(=O)[O-]
LogP,Modify the molecule CC(=O)C1(OC=O)CC2=C(C(C)C)CCC2(C)CC1O to increase its LogP value.,CC(=O)C1(OC=O)CCC2(C)CCC(C(C)C)=C2C1
MR,Optimize the molecule CCc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c2ccccc12 to have a higher MR value.,CCc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccccc2OC(F)(F)C(=O)[OH])c2ccccc12
QED,Please optimize the molecule [NH3+]C1CCCCCC1C(=O)NCC1CC[NH+](C2CC2)C1 to have a higher QED value.,[NH3+]C1CCCCCC1C1CC[NH+](C2CC2)C1
AtomNum,"The molecule is composed of 22 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCCN(CC1CC1)c1cc(C(=O)NC2C=CC(S(=O)(=O)NCCOC)=CC2C)ncn1
BondNum,"The molecule contains 19 single bonds, 6 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",COc1cc(C=NNC(=O)C2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc(Br)c1OC
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",CC(=O)N(C)CC=CC=CCCCCCc1ccccc1
AddComponent,Please add a carboxyl to the molecule Cn1ccnc1CN1CCCc2cc(C(=O)[O-])ccc21.,Cn1ccnc1CN1CCCc2c1ccc(C(=O)[O-])c2C(=O)O
SubComponent,Substitute a halo in the molecule COc1c(CCC(=O)[O-])cc(Cl)c(F)c1F with a aldehyde.,CC(=O)c1cc(CCC(=O)[O-])c(OC)c(F)c1F
DelComponent,Remove a benzene ring from the molecule O=C(Nc1ccccc1)N1CCCC(C[NH+]2CCC(Cc3ccccc3)CC2)C1.,CC1CC[NH+](CC2CCCN(C(=O)Nc3ccccc3)C2)CC1
LogP,Please optimize the molecule CC1CC(n2c(=O)cc(Cl)[nH]c2=O)C[NH+]1Cc1ccccc1 to have a higher LogP value.,CC1CC(n2c(=O)cc(Cl)[nH]c2=O)C[NH+]1Cc1ccccc1-c1ccccc1
MR,Please optimize the molecule CC1CCN(Cc2cc(F)ccc2Br)C(C[NH3+])C1 to have a higher MR value.,CC1CCN(Cc2cc(F)cc(O)c2Br)C(C[NH3+])C1
QED,Optimize the molecule CC(C)OC(=O)CCCC=CCC1C(O)CC(O)C1CCC(CCc1ccccc1)OC=O to have a lower QED value.,CC(C)OC(=O)CCCC=CCC1C(S)CC(O)C1CCC(CCc1ccccc1)OC=O
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 fluorine atoms.",CC1(NC(=O)C2CCNCC2(F)F)CC[NH2+]CC1
BondNum,"The molecule consists of 21 single bonds, 2 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",CCOC(=O)C1CC[NH+](C(c2cc3ccc(C)c(C)c3[nH]c2=O)c2nnnn2C2CCCC2)CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amide groups, and 1 nitro group.",O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1
AddComponent,Add a aldehyde to the molecule Fc1cccc(F)c1-c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2[nH+]cc(-c3ccccn3)n2c1.,O=CCc1cccc(C(c2ccccc2)(c2ccccc2)n2cc(-c3ccc4[nH+]cc(-c5ccccn5)n4c3)c(-c3c(F)cccc3F)n2)c1
SubComponent,Modify the molecule Nc1c(CO)[nH]c(C(F)F)cc1=O by substituting a halo with a aldehyde.,CC(=O)C(F)c1cc(=O)c(N)c(CO)[nH]1
DelComponent,Remove a N#CCc1c(N)[nH+]cc(OC(F)(F)F)c1N from the molecule halo.,N#CCc1c(N)[nH+]cc(OC(F)F)c1N
LogP,Modify the molecule C[NH+]=C(NCc1cccc(F)c1)NCc1cccc(COC2CCOCC2)c1 to decrease its LogP value.,C[NH+]=C(NCc1ccccc1)NCc1cccc(COC2CCOCC2)c1
MR,Please optimize the molecule Cc1ccccc1NC(=O)Cn1c(CC(=O)NCc2ccccn2)nc2ccccc21 to have a lower MR value.,CNC(=O)Cn1c(CC(=O)NCc2ccccn2)nc2ccccc21
QED,Please modify the molecule C=CC(=O)N1C(C(=O)N(C)C2CC[NH+](CC)CC2)CC2CCCCC21 to increase its QED value.,C=CC(=O)N1C2CCCCC2C1C1(C)CC[NH+](CC)CC1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Br)cc1
BondNum,"There is a molecule composed of 11 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1cc(N)nc(SCc2cc3c(cc2Br)OCCO3)n1
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,CC(CN(C)C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1)C(=O)[O-]
AddComponent,Modify the molecule O=C1[NH+]=C(CCc2cccc(F)c2)NC1=Cc1ccc(Br)cc1 by adding a aldehyde.,O=CCc1cc(Br)ccc1C=C1NC(CCc2cccc(F)c2)=[NH+]C1=O
SubComponent,Please substitute a O=C(CSCc1cccc(C(F)(F)F)c1)N1CCc2ccccc21 in the molecule halo with a hydroxyl.,O=C(CSCc1cccc(C(O)(F)F)c1)N1CCc2ccccc21
DelComponent,Modify the molecule benzene ring by removing a CCCCC(=O)Nc1cccc(SC(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2)c1.,CCCCC(=O)NSC(C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1
LogP,Please optimize the molecule Cc1cc(N)c(O)c(C(N)C(F)(F)F)c1 to have a lower LogP value.,Cc1cc(N)c(C(=O)[OH])c(C(N)C(F)(F)F)c1
MR,Modify the molecule Cc1ccc(-c2ccc3c(c2)C2(COC(N)=[NH+]2)c2cc(-c4cncnc4)ccc2O3)cc1 to have a lower MR value.,Cc1ccc(-c2ccc3c(c2)C2(COC=[NH+]2)c2cc(-c4cncnc4)ccc2O3)cc1
QED,Modify the molecule CCOC(=O)c1cc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)cc([N+](=O)[O-])c1 to decrease its QED value.,CCOC(=O)c1cc(C(=O)NNC(=O)c2cc(O)ccc2OC)cc([N+](=O)[O-])c1
AtomNum,"The molecule is composed of 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 chlorine atoms.",ClCCc1nc2ccc(Cl)cc2n1C1CC2CCC1O2
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 1 halo group.",Fc1ccccc1C[NH2+]CCc1nnc(-c2ccccc2)o1
AddComponent,Add a hydroxyl to the molecule CCN1CCN(C2CC3(CCC2[NH2+]C)OCCO3)CC1.,CCN1CCN(C2CC3(CCC2[NH2+]C)OCCO3)C(O)C1
SubComponent,Substitute a O=C(NCCc1ccccn1)c1cccc(C#CCO)c1 in the molecule hydroxyl with a nitrile.,N#CCC#Cc1cccc(C(=O)NCCc2ccccn2)c1
DelComponent,Please remove a amide from the molecule CC(C)Oc1cccc(N2CCCC3C(=O)NCC32)c1N.,CC(C)Oc1cccc(N2CCCC2C)c1N
LogP,Modify the molecule Nc1cc(-c2cccc(F)c2)co1 to have a higher LogP value.,Nc1cc(-c2ccc(-c3ccccc3)c(F)c2)co1
MR,Please modify the molecule N#Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(Br)c1 to increase its MR value.,N#Cc1c(OCC(=O)Nc2ccc(Cl)c(Br)c2)cccc1-c1ccccc1
QED,Please optimize the molecule CC1(O)CCC[NH+](CC(O)Cn2cc(N)cn2)CC1 to have a higher QED value.,CC(=O)C1(C)CCC[NH+](CC(O)Cn2cc(N)cn2)CC1
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCCC([NH3+])CC(=O)Nc1cccc(N2CCCC2=O)c1
BondNum,"Please generate a molecule consisting 10 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC[NH2+]C(Cc1cccc(F)c1Br)c1ccc(F)cc1F
FunctionalGroup,"There is a molecule with 1 hydroxyl group, 1 amide group, 1 thioether group, and 1 thiol group.",CCC(CCO)CNC(=O)C(S)C(C)C
AddComponent,Modify the molecule O=C(c1cccc2ccccc12)N1CC[NH+](Cc2ccccc2Br)CC1 by adding a benzene ring.,O=C(c1cccc2ccc(-c3ccccc3)cc12)N1CC[NH+](Cc2ccccc2Br)CC1
SubComponent,Substitute a Cc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(CF)cc2)n1 in the molecule halo with a nitrile.,Cc1ccc(C#N)cc1-c1nc(N)nc(Nc2ccc(CF)cc2)n1
DelComponent,Modify the molecule CC(C)ONCCNC(=O)OC(C)(C)C by removing a amine.,CC(C)OCCNC(=O)OC(C)(C)C
LogP,Please modify the molecule CCOc1ccc(C(=O)Nc2ccc(Cl)nc2C)cc1N to increase its LogP value.,CCOc1ccc(C(=O)Nc2ccc(Cl)nc2C)cc1
MR,Modify the molecule CC(=O)Nc1ncnc2c(-c3cc(C(=O)Nc4cc(C(F)(F)F)ccn4)ccc3C)cnn12 to increase its MR value.,CC(=O)Nc1ncnc2c(-c3cc(C(=O)Nc4cc(C(F)(F)F)c(-c5ccccc5)cn4)ccc3C)cnn12
QED,Modify the molecule CCCNC(=O)CSCCCCCC(=O)OCC to have a higher QED value.,CCCNC(=O)CSCCCCCC(=O)OC(C)C#N
AtomNum,"The molecule consists of 21 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",CCN(CC)c1oc(C(O)c2cccc(Br)c2)nc1Cc1ccccc1
BondNum,"There is a molecule composed of 17 single bonds, 1 double bond, and 5 rotatable bonds.",CSC1(CNC(=O)CC2COCC[NH2+]2)CCC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 2 thioether groups, and 1 sulfide group.",Cc1ccccc1C1SCC(=O)N1CC(C)(C)C[NH+](C)C
AddComponent,Please add a hydroxyl to the molecule COc1ccccc1CC(=O)c1cc(Br)ccc1Br.,COc1ccc(O)cc1CC(=O)c1cc(Br)ccc1Br
SubComponent,Please substitute a hydroxyl in the molecule NNc1cccc(C(=O)NC2CCC(CO)CC2)n1 with a thiol.,NNc1cccc(C(=O)NC2CCC(CS)CC2)n1
DelComponent,Please remove a halo from the molecule [NH3+]CCc1cc(F)ccc1Oc1ccc2c(c1)CCC2.,[NH3+]CCc1ccccc1Oc1ccc2c(c1)CCC2
LogP,Please modify the molecule OCCc1cccc2c1OCCO2 to increase its LogP value.,CCc1cccc2c1OCCO2
MR,Modify the molecule O=C1c2ccccc2C(=O)N1CCCSCS to increase its MR value.,O=C1c2ccccc2C(=O)N1C(CCSCS)c1ccccc1
QED,Please optimize the molecule CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc(OC)c(F)c3)n2C)cc1 to have a lower QED value.,CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc(OC)c(C(=O)[OH])c3)n2C)cc1
AtomNum,"There is a molecule with 37 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",COc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncn(Cc4ccccc4)c13)C(=O)N(Cc1ccc(F)cc1)C2O
BondNum,"There is a molecule consisting of 17 single bonds, 2 double bonds, 1 rotatable bond, and 16 aromatic bonds.",CC(C)(C)[NH+]=C1Nc2ccccc2C[NH2+]C12CCN(C(=O)c1n[nH]c3ccccc13)C2
FunctionalGroup,"Please generate a molecule with 1 amide group, and 2 sulfide groups.",COc1nn(C)cc1C(=O)NCCn1nc(-c2sc(-c3cccs3)nc2C)ccc1=O
AddComponent,Modify the molecule CC(C)c1cnc(N(C)C)c(Cl)c1 by adding a benzene ring.,CN(C)c1ncc(C(C)(C)c2ccccc2)cc1Cl
SubComponent,Modify the molecule nitrile by substituting a CSC1CCC(Nc2cc(F)cc(C#N)c2)C1 with a nitro.,CSC1CCC(Nc2cc(F)cc(NO)c2)C1
DelComponent,Please remove a Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1nc(F)c(F)c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4C)c1C(F)(F)F from the molecule halo.,Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1nc(F)c(F)c(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4C)c1C(F)F
LogP,Optimize the molecule Cc1cccc2c1CC[NH+](Cc1ccccc1N1CCOCC1)C2 to have a lower LogP value.,Cc1cccc2c1CC[NH+](Cc1ccccc1N1CCOC(O)C1)C2
MR,Please modify the molecule C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NCc1ccc(NC(=O)OC)cc1 to increase its MR value.,C[NH+]=C(NCCc1c[nH]c2ccccc12)NCc1ccc(NC(=O)OC)cc1
QED,Please modify the molecule COCC[NH+](CCO)CCCC(=O)NN to increase its QED value.,COCC[NH+](CCO)CCCC(N)=O
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",[NH3+]CCc1ccc(O)c(O)c1CCc1cccc(O)c1
BondNum,"There is a molecule consisting of 13 single bonds, 3 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]Cc3ccc(C(=O)[O-])cc3)o2)c1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 3 halo groups, and 1 sulfone group.",C=C1CC(COS(=O)(=O)C(F)(F)F)OC(CC2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(c3coc(C=CCC4OC(C(C)=Cc5coc(C)n5)C(C)C(O[Si](C(C)C)(C(C)C)C(C)C)C4C)n3)O2)C1
AddComponent,Add a carboxyl to the molecule COc1cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)Nc4ccc(C)c(F)c4)cc3C)CC2)ccc1NC(=O)c1ccc(C)cc1.,COc1cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)Nc4ccc(C)c(F)c4)cc3C)CC2C(=O)O)ccc1NC(=O)c1ccc(C)cc1
SubComponent,Modify the molecule halo by substituting a CC(C)C1CCC(=O)C(Cc2cc(F)ccc2Cl)C1 with a carboxyl.,CC(C)C1CCC(=O)C(Cc2cc(C(=O)[OH])ccc2Cl)C1
DelComponent,Remove a amine from the molecule CCNC(NC1CN(C(=O)OC(C)(C)C)C1)=[NH+]CCC1CC[NH+](C)CC1.,CCC(NC1CN(C(=O)OC(C)(C)C)C1)=[NH+]CCC1CC[NH+](C)CC1
LogP,Modify the molecule CCC1C=C(C(=O)[O-])C(c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(C)cc1 to have a lower LogP value.,CCC1C=C(C(=O)[O-])C(c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1
MR,Modify the molecule NC(=[NH2+])c1c(Br)cccc1N1CCCCC1CCO to increase its MR value.,N#CCCC1CCCCN1c1cccc(Br)c1C(N)=[NH2+]
QED,Optimize the molecule CCCNc1ncnc(NC2CCOC(C)(C)C2)c1Br to have a lower QED value.,CCCNc1ncnc(NC2CCOC(C)(C)C2)c1S
AtomNum,"There is a molecule with 12 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC(C)CN(C)c1cc(N(C)CCO)ncn1
BondNum,"Please generate a molecule composed of 12 single bonds, 2 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",CSCCCCNS(=O)(=O)c1cc(Br)cc(CO)c1F
FunctionalGroup,"Please generate a molecule with 1 amine group, and 1 sulfoxide group.",COc1cc2ccnc(NCCS(C)=O)c2cc1OC
AddComponent,Add a carboxyl to the molecule C#CCOCCOCCOCCOCCOCCOCC[NH2+]CC(=O)CCC(NC(=O)c1ccc(NCc2cnc3[nH]c(N)nc(=O)c3n2)cc1)C(=O)[O-].,C#CCOCCOCCOCCOCCOCCOCC[NH2+]CC(=O)CCC(NC(=O)c1ccc(NCc2cnc3[nH]c(N)nc(=O)c3n2)cc1)(C(=O)[O-])C(=O)O
SubComponent,Please substitute a hydroxyl in the molecule Cn1ncc([N+](=O)[O-])c1C1(C)OCCCC(N=[N+]=[N-])C1O with a nitrile.,Cn1ncc([N+](=O)[O-])c1C1(C)OCCCC(N=[N+]=[N-])C1C#N
DelComponent,Please remove a C1=CC2Oc3c(c4ccccc4n3-c3cccc(C4=[NH+]C(c5ccccc5)N=C(c5ccccc5)N4)c3)C2C=C1 from the molecule amine.,C1=CC2Oc3c(c4ccccc4n3-c3cccc(C4=[NH+]C(c5ccccc5)N=C4c4ccccc4)c3)C2C=C1
LogP,Please optimize the molecule CC(Cc1ccc(C(F)(F)F)cc1)NC(=O)C(C)([NH3+])c1ccccc1 to have a higher LogP value.,CC(Cc1ccc(C(F)(F)F)cc1)NC(=O)C(C)([NH3+])c1cccc(-c2ccccc2)c1
MR,Please modify the molecule COc1cc2oc(=O)ccc2cc1C=C(O)C(C)=O to decrease its MR value.,COc1cc2oc(=O)ccc2cc1C=CC(C)=O
QED,Please modify the molecule O=C(NCCSCc1ccccc1F)C1C[NH2+]C1 to decrease its QED value.,O=C(NCCSCc1ccccc1)C1C[NH2+]C1
AtomNum,"The molecule contains 26 carbon atoms, 4 oxygen atoms, and 1 silicon atom.",CC(=O)OC1CCC(C)C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
BondNum,"There is a molecule consisting of 13 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CNC(=O)c1ccc(NC(=O)C2(C)CCCO2)c(C)c1
FunctionalGroup,There is a molecule consisting of and 1 amide group.,CCOCC(=O)Nc1cccnc1OC(C)C
AddComponent,Add a amine to the molecule NNc1nc(-c2cccs2)nc2c1CCCC2.,NNc1nc(-c2cc(N)cs2)nc2c1CCCC2
SubComponent,Please substitute a halo in the molecule Cc1ccc(S(=O)(=O)Oc2ccccc2C)c(Cl)c1 with a nitrile.,Cc1ccc(S(=O)(=O)Oc2ccccc2C)c(C#N)c1
DelComponent,Remove a COC(=O)C(C)C(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 from the molecule benzene ring.,COC(=O)C(C)C(C)S(=O)(=O)C(F)(F)F
LogP,Modify the molecule CCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC to have a higher LogP value.,CCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC(=O)[OH])OC(=O)CCCCCCCCCCCCCCCCC
MR,Optimize the molecule COc1ccc2c3c1OC1C(OC(=O)CC(O)C(=O)NC(C(=O)[O-])C(C)C)=CCC4(O)C(C2)[NH+](C)CCC314 to have a lower MR value.,COc1ccc2c3c1OC1C(OC(=O)CCC(=O)NC(C(=O)[O-])C(C)C)=CCC4(O)C(C2)[NH+](C)CCC314
QED,Modify the molecule [NH3+]CCCCNC(=O)c1ccccc1Sc1ccc(Br)cn1 to have a lower QED value.,[NH3+]CCCCNC(=O)c1cc(-c2ccccc2)ccc1Sc1ccc(Br)cn1
AtomNum,"There is a molecule with 26 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",COc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(CN(C(=O)c3ccc(F)cc3)C3CC3)c2)cc1
BondNum,"The molecule is composed of 9 single bonds, 2 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",CCOC(=O)C(=O)Nc1ccc(C(C)C)s1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,COc1ccc(C(C[NH3+])N(C)Cc2ccc(C)o2)cc1C
AddComponent,Add a hydroxyl to the molecule NC(=O)C1CCN(C(=S)NC2=[NH+]CCS2)CC1.,NC(=O)C1CCN(C(=S)NC2=[NH+]CCS2)C(O)C1
SubComponent,Substitute a halo in the molecule Clc1nc(Cl)c2nccn2n1 with a thiol.,Sc1nc(Cl)c2nccn2n1
DelComponent,Modify the molecule CCOc1ccc(C([O-])=C2C(=O)C(=O)N(Cc3ccco3)C2c2ccc(Cl)cc2)cc1C(C)(C)C by removing a amide.,CCOc1ccc(C([O-])=C2OC2(Cc2ccco2)c2ccc(Cl)cc2)cc1C(C)(C)C
LogP,Please optimize the molecule Brc1cnccc1SC1CCCCC1 to have a lower LogP value.,c1cc(SC2CCCCC2)ccn1
MR,Please optimize the molecule Cc1cc(F)cc(NCCC(C)(C)O)c1 to have a lower MR value.,Cc1cc(F)cc(CCC(C)(C)O)c1
QED,Modify the molecule [NH3+]CCc1cc(F)cc(Oc2ccc3c(c2)CCCC3)c1 to have a lower QED value.,[NH3+]CCc1cccc(Oc2ccc3c(c2)CCCC3)c1
AtomNum,"The molecule consists of 19 carbon atoms, 1 oxygen atom, and 8 nitrogen atoms.",Cc1cc(CNc2nccc(Nc3cc(CCc4ccncc4)[nH]n3)n2)on1
BondNum,"Please generate a molecule composed of 12 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccnc(C(=O)[O-])c2)ccc1C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, and 1 halo group.",CCC(CC)C[NH+](CC)Cc1cc(F)cc(C(N)=S)c1
AddComponent,Modify the molecule O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(OCC2CCCO2)cc1 by adding a benzene ring.,O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(OCC2CCC(c3ccccc3)O2)cc1
SubComponent,Substitute a halo in the molecule COc1cc(Cl)c(C)cc1Nc1cncc(C(=O)N(C)Cc2ccccc2)c1 with a nitrile.,COc1cc(C#N)c(C)cc1Nc1cncc(C(=O)N(C)Cc2ccccc2)c1
DelComponent,Modify the molecule nitrile by removing a CCNC(=O)Nc1nc2c(C#N)cc(C)cc2s1.,CCNC(=O)Nc1nc2ccc(C)cc2s1
LogP,Please optimize the molecule CC(C)OCCN(C)c1ccc(C(N)=[NH2+])c(Br)c1 to have a lower LogP value.,CC(C)OCCN(C)c1ccc(C(N)=[NH2+])c(NO)c1
MR,Modify the molecule CN(C)c1cnnc(Nc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)c1 to have a lower MR value.,CN(C)c1cnnc(Nc2ccc(NC(=O)c3cc(O)sc3Cl)cc2)c1
QED,Please optimize the molecule COC(=O)C(Cl)Cc1ccc(F)cc1Br to have a lower QED value.,COC(=O)C(Cl)C(F)Br
AtomNum,"There is a molecule with 18 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CC(=O)OC(C)(C)CNC(=O)C=CC=Cc1ccc2c(c1)OCO2
BondNum,"Please generate a molecule with 6 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",Cc1ncsc1CNc1scnc1C(=O)[O-]
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 1 halo group.",CCOC(=O)N1CCc2c(Cl)ccc3oc(CO)c(c23)C1
AddComponent,Modify the molecule CC1CCC(C(C)(C)Cc2ccc(F)c(Cl)c2)C(=O)C1 by adding a hydroxyl.,CC1CCC(C(C)(C)Cc2cc(O)c(F)c(Cl)c2)C(=O)C1
SubComponent,Modify the molecule halo by substituting a Cc1cc(F)ccc1NC(=O)c1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)N4CCCCC4)cc3C)CC2)C(C)C)c(C)c1 with a nitrile.,Cc1cc(C#N)ccc1NC(=O)c1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)N4CCCCC4)cc3C)CC2)C(C)C)c(C)c1
DelComponent,Please remove a CCCCC(C[NH3+])NC(=O)C1CCCc2sccc21 from the molecule amide.,CCCCC(C[NH3+])C1CCc2sccc21
LogP,Please modify the molecule CC(C)(C)CC(=O)OC1CC(CO)OC(C)(C)O1 to decrease its LogP value.,CC(C)(C)CC(=O)OC1CC(CNO)OC(C)(C)O1
MR,Optimize the molecule Nc1cc(C(F)F)c(Cl)nc1OC(F)(F)F to have a lower MR value.,FC(F)c1ccc(OC(F)(F)F)nc1Cl
QED,Modify the molecule Cc1ccsc1C[NH2+]Cc1cc(F)ccc1F to increase its QED value.,Cc1ccsc1C[NH2+]Cc1cc(C#N)ccc1F
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 chlorine atom.",CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1
BondNum,"There is a molecule composed of 39 single bonds, 7 rotatable bonds, and 56 aromatic bonds.",FC(F)(F)c1c(C(F)(F)F)c(C(F)(F)F)c2oc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c8o7)cc6)cc5)cc4)cc3)nc2c1C(F)(F)F
FunctionalGroup,"The molecule consists of 1 hydroxyl group, and 1 amide group.",Cc1ccc(C(=O)NCC(O)C(=O)[O-])cn1
AddComponent,Please add a benzene ring to the molecule CCCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1.,CCCCN(C(=O)c1cc(Cl)c(Cl)cc1-c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1
SubComponent,Please substitute a halo in the molecule ClC1=C(Cl)C2(Cl)C(Cl)=C(Cl)C3C(Cl)C1CC32 with a aldehyde.,CC(=O)C1=C(Cl)C2(Cl)C(Cl)=C(Cl)C3C(Cl)C1CC32
DelComponent,Please remove a CCNC(=O)CCNC(=O)CCc1ccc(N)cc1 from the molecule amine.,CCNC(=O)CCNC(=O)CCc1ccccc1
LogP,Modify the molecule CCC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cccc(C(=O)N4CCCC(C)C4)c3)CC2)c1 to decrease its LogP value.,CCC(C)NC(=O)c1ccc(C(=O)[OH])c(NC(=O)C(C)[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cccc(C(=O)N4CCCC(C)C4)c3)CC2)c1
MR,Optimize the molecule CC(N)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 to have a lower MR value.,CC(N)(CS(=O)(=O)F)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
QED,Modify the molecule O=C(NCl)c1cc(Oc2ccc3nc(Nc4cc(F)cc(F)c4F)[nH]c3c2)ccn1 to have a lower QED value.,O=C(NCl)c1cc(Oc2ccc3nc(Nc4c(O)c(F)cc(F)c4F)[nH]c3c2)ccn1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(S(=O)(=O)NC(=O)c2c(C)cc3ccccn23)cc1
BondNum,"The molecule consists of 8 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",COCC[NH2+]Cc1ccnn1Cc1ccccc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfone group.",CC(C)(C)c1noc(CS(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)n1
AddComponent,Modify the molecule CC(CCC(=O)[O-])[NH2+]Cc1cscn1 by adding a benzene ring.,CC([NH2+]Cc1cscn1)C(CC(=O)[O-])c1ccccc1
SubComponent,Please substitute a CN(Cc1nccn1CC(F)(F)F)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 in the molecule halo with a nitrile.,CN(Cc1nccn1CC(F)(F)C#N)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(C)c(Oc2coc3cc(=O)ccc-3c2O)c1.,CCOc1coc2cc(=O)ccc-2c1O
LogP,Optimize the molecule CCCC[Sn](CCCC)(CCCC)OC(=O)CCCCCN1C(=O)C(Cl)=C(Cl)C1=O to have a lower LogP value.,CCCC[Sn](CCCC)(CC(O)CC)OC(=O)CCCCCN1C(=O)C(Cl)=C(Cl)C1=O
MR,Please optimize the molecule CCCCCCCC[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 to have a higher MR value.,CCCCCCCC[NH2+]Cc1ccc(OC(O)c2cccc(C)c2)cc1
QED,Modify the molecule COCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1 to have a higher QED value.,COCC1ccccc1(F)-c1nnc(-c2ccc(OC)cc2)s1
AtomNum,"There is a molecule with 13 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCCNC(=O)N(CCC(=O)[O-])c1ccccc1N
BondNum,"The molecule contains 14 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)(CC[NH3+])[NH+]=C1CC(C)(C)c2cc(Cl)ccc2N1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 2 amine groups, 1 halo group, and 1 sulfone group.",O=C(NCC1CCS(=O)(=O)C1)C1CNNC1c1ccc(F)cc1
AddComponent,Modify the molecule Nc1ccc(CNC(=O)C(Cc2cccc3ccccc23)NC(=O)C2CCCC[NH2+]2)cn1 by adding a benzene ring.,Nc1ccc(CNC(=O)C(Cc2cccc3ccccc23)NC(=O)C2CCCC[NH2+]2)c(-c2ccccc2)n1
SubComponent,Substitute a halo in the molecule CCOCC[NH2+]C(c1ccco1)c1ccc(Cl)s1 with a thiol.,CCOCC[NH2+]C(c1ccco1)c1ccc(S)s1
DelComponent,Remove a benzene ring from the molecule CC1(NC(=O)CCc2ccc(-c3ccccc3F)o2)CCS(=O)(=O)C1.,CC1(NC(=O)CCc2ccc(F)o2)CCS(=O)(=O)C1
LogP,Modify the molecule CCN(CC)c1ccc2[nH+]ccc(N)c2c1 to have a higher LogP value.,CCN(CC)c1ccc2[nH+]cccc2c1
MR,Modify the molecule CCCOc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4C)c(=O)c23)cc1 to decrease its MR value.,CCCOc1ccc(-c2csc3ncn(CC(=O)NCCl)c(=O)c23)cc1
QED,Modify the molecule COc1cc(SC)c2ccsc2c1CO to have a lower QED value.,COc1cc(SC)c2ccsc2c1CC#N
AtomNum,"There is a molecule consisting of 23 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",Cc1cccc(NCC(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1
BondNum,"There is a molecule composed of 9 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCC(CC)C(C)[NH2+]Cc1ccncc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",CC[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2c2cccc(F)c2)CC1
AddComponent,Modify the molecule O=C(c1cccs1)N1CC[NH+](CC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 by adding a hydroxyl.,O=C(c1cccs1)N1CC[NH+](CC(O)COC(c2ccc(F)cc2)c2ccc(F)c(O)c2)CC1
SubComponent,Modify the molecule nitrile by substituting a N#Cc1cc(Br)c2c(ccn2C(=O)[O-])c1 with a hydroxyl.,O=C([O-])n1ccc2cc(O)cc(Br)c21
DelComponent,Please remove a CN1Cc2cc(NC(=O)c3ncc(F)cc3F)ccc2NC1=O from the molecule halo.,CN1Cc2cc(NC(=O)c3ncccc3F)ccc2NC1=O
LogP,Please optimize the molecule Cc1cc(F)ccc1S(=O)(=O)NCC(=O)NCCc1ccccc1F to have a higher LogP value.,Cc1cc(F)ccc1S(=O)(=O)CC(=O)NCCc1ccccc1F
MR,Please modify the molecule CC(CC1CCCO1)NC(=O)N1CCOC(Cc2ccccc2)C1 to decrease its MR value.,CC(CC1CCCO1)NC(=O)N1CCOC(C)C1
QED,Please optimize the molecule CC(C)CCCOCC(O)C[NH2+]C(C)C1CCOCC1 to have a lower QED value.,CC(C)CCCOCC(C[NH2+]C(C)C1CCOCC1)C(=O)[OH]
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CCCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)sc2c(C)ccc(OC)c21
BondNum,"There is a molecule consisting of 15 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCN(CC)c1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)C(C)=O)c(C)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 thioether group, and 1 sulfide group.",CCCCCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2
AddComponent,Please add a benzene ring to the molecule Nc1cnn(CC(=O)NCCC2CCCCO2)c1.,Nc1cnn(CC(=O)NCCC2(c3ccccc3)CCCCO2)c1
SubComponent,Please substitute a hydroxyl in the molecule CC(=O)Nc1cc2nc(C)oc2cc1O with a carboxyl.,CC(=O)Nc1cc2nc(C)oc2cc1C(=O)[OH]
DelComponent,Remove a amide from the molecule COCC(C)n1c(SCC(=O)N2CCCC2=O)nc2ccccc2c1=O.,CCC(=O)CSc1nc2ccccc2c(=O)n1C(C)COC
LogP,Modify the molecule O=c1[nH]c2ccccc2cc1C[NH+]1CC=C(Cc2ccccc2)CC1 to decrease its LogP value.,CC1=CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1
MR,Modify the molecule CCCOCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 to have a lower MR value.,CCCOCC(=O)N1CCC2(CC1)CC(=O)N(CCl)C2
QED,Modify the molecule COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C=CC(C)(COC(=O)c2ccc(F)cc2)O3)cc1 to have a lower QED value.,COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C=CC(C)(COC(=O)c2ccc(S)cc2)O3)cc1
AtomNum,"The molecule has 27 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCOc1ccc(N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)S(=O)(=O)c2ccccc2)cc1
BondNum,"The molecule consists of 12 single bonds, 3 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)N1CC(C)=C(C=Cc2ccccc2)c2cc(C)ccc21
FunctionalGroup,"The molecule has 1 ester group, and 1 amide group.",COC(=O)CN(C)C(=O)c1ccc(Cn2cccn2)o1
AddComponent,Please add a hydroxyl to the molecule CCC(C)(C)C(=O)OCCC1C2CC3C(=O)OC1C3O2.,CCC(C)(C)C(=O)OCCC1C2CC3(O)C(=O)OC1C3O2
SubComponent,Please substitute a Cn1ncc(NC(=O)CCn2cc(Br)cn2)c1C(=O)N1CCCCC1 in the molecule halo with a nitrile.,Cn1ncc(NC(=O)CCn2cc(C#N)cn2)c1C(=O)N1CCCCC1
DelComponent,Please remove a O=C(CNC(=O)NCc1ccc(F)cc1)NC1CCCOCC1 from the molecule benzene ring.,O=C(CNC(=O)NCF)NC1CCCOCC1
LogP,Modify the molecule Cc1cc2c(Br)c(Br)cnc2cc1F to have a lower LogP value.,Cc1cc2c(C#N)c(Br)cnc2cc1F
MR,Please modify the molecule C[NH+](CCS)CCc1cccc(Br)c1 to decrease its MR value.,C[NH+](CCNO)CCc1cccc(Br)c1
QED,Please optimize the molecule Cc1ccc(NC(=O)c2ccc(NC(=O)C(C)[NH+]3CCC(C(=O)N4CCCC4C(=O)Nc4ccccc4C(=O)Nc4c(F)cccc4F)CC3)c(C)c2)c(F)c1 to have a higher QED value.,Cc1ccc(NC(=O)c2ccc(NC(=O)C(C)[NH+]3CCC(C(=O)N4CCCC4C(=O)Nc4ccccc4C(=O)Nc4ccccc4F)CC3)c(C)c2)c(F)c1
AtomNum,"The molecule has 11 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",COC(=O)c1cc(NCc2ccon2)ncc1N
BondNum,"Please generate a molecule composed of 8 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(O)c(C(=O)c2ccc(C(=O)[O-])cc2)c1F
FunctionalGroup,The molecule is composed of and 1 amide group.,CCc1cc(C(=O)N(C)OC)n(CC)n1
AddComponent,Modify the molecule O=c1nc(C[NH+]2CCOC3(CCCC3)C2)[nH]c2c1oc1ccccc12 by adding a hydroxyl.,O=c1nc(C[NH+]2CC3(CCCC3)OCC2O)[nH]c2c1oc1ccccc12
SubComponent,Please substitute a halo in the molecule COC(=O)CCNC(=O)c1ccoc1Cl with a hydroxyl.,COC(=O)CCNC(=O)c1ccoc1O
DelComponent,Remove a halo from the molecule CC([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1F.,CC([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1F
LogP,Please modify the molecule Cc1ccc(NCc2cc(Br)c(Cl)s2)cc1I to decrease its LogP value.,Cc1ccc(NCc2cc(C#N)c(Cl)s2)cc1I
MR,Please optimize the molecule Nc1ccccc1NC(=O)c1ccc(OCCN(C=O)c2cc3cccc(C(F)Oc4ccccc4)c3o2)cc1 to have a higher MR value.,N#CC(Oc1ccccc1)c1cccc2cc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)oc12
QED,Please modify the molecule Cc1ccccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc21 to decrease its QED value.,Cc1c(C(=O)O)cccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc21
AtomNum,"The molecule is composed of 20 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",COC(=O)CSc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCC4
BondNum,"The molecule has 6 single bonds, 1 double bond, 1 rotatable bond, and 10 aromatic bonds.",COC(=O)c1c(I)[nH]c2cc(Br)c(Br)cc12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 amine groups, and 1 sulfone group.",CCCCCCCC#Cc1ccc(NS(=O)(=O)NC(CC)CC(=O)[O-])cc1
AddComponent,Please add a benzene ring to the molecule C[NH+]1CCCC2(C(=O)[O-])CCN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)CC12.,C[NH+]1CC(c2ccccc2)CC2(C(=O)[O-])CCN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)CC12
SubComponent,Modify the molecule halo by substituting a O=C(CCC(=O)c1cccs1)NCC(=O)Nc1ccc(Cl)cc1 with a nitrile.,N#Cc1ccc(NC(=O)CNC(=O)CCC(=O)c2cccs2)cc1
DelComponent,Remove a O=C([O-])c1ccn(C2CCCCC2)c1C(F)(F)F from the molecule halo.,O=C([O-])c1ccn(C2CCCCC2)c1C(F)F
LogP,Please modify the molecule COc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccc(OC)cc2)cc1 to decrease its LogP value.,COc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2NC(=O)c2ccc(OC)cc2)cc1
MR,Modify the molecule COc1cc(CN(C)C(=O)CC(NS(C)(=O)=O)c2ccc(F)cc2)cc(OC)c1OC to decrease its MR value.,COc1cc(CN(C)C(=O)CC(c2ccc(F)cc2)S(C)(=O)=O)cc(OC)c1OC
QED,Optimize the molecule Clc1cc(Cl)cc(Oc2ncccc2Br)c1 to have a higher QED value.,ONc1cc(Cl)cc(Oc2ncccc2Br)c1
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 bromine atoms.",O=C(c1ccc(Br)cc1Br)N1CCCCC1CO
BondNum,"There is a molecule consisting of 19 single bonds, 4 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 ketone group.",CCCCCOc1ccc(C=CC(=O)C(C)(C)C)cc1
AddComponent,Add a hydroxyl to the molecule CCCCCCCCCCCCCCCCCNC(=O)C(=O)NCCCc1ccc(O)cc1.,CCCCCCCCC(O)CCCCCCCCNC(=O)C(=O)NCCCc1ccc(O)cc1
SubComponent,Substitute a N#Cc1ccc(NC(=O)C2=NN(C3CCS(=O)(=O)C3)C(=O)CC2)cc1 in the molecule nitrile with a nitro.,ONc1ccc(NC(=O)C2=NN(C3CCS(=O)(=O)C3)C(=O)CC2)cc1
DelComponent,Remove a halo from the molecule COc1c(C)c(Br)c(C)c(C(C)CC=O)c1OC.,COc1c(C)cc(C)c(C(C)CC=O)c1OC
LogP,Modify the molecule Cc1c(N)cncc1-c1cc2cc(Nc3cc4n(n3)CC(=O)N(C)OC43CC3)ncc2c(N)n1 to increase its LogP value.,Cc1ccncc1-c1cc2cc(Nc3cc4n(n3)CC(=O)N(C)OC43CC3)ncc2c(N)n1
MR,Optimize the molecule C[NH+](C)CCNC(=O)N(CC1CC1)C(=O)C1CC2Cc3c(sc(N)c3N)CC2[NH+](C)C1 to have a lower MR value.,C[NH+](C)CCNC(=O)N(CC1CC1)C(=O)C1CC2Cc3cc(N)sc3CC2[NH+](C)C1
QED,Modify the molecule [NH3+]CCC(=O)Nc1cc(Cl)ccc1NC(=O)Cc1cccs1 to have a lower QED value.,[NH3+]CCC(=O)Nc1c(NC(=O)Cc2cccs2)ccc(Cl)c1-c1ccccc1
AtomNum,"There is a molecule composed of 42 carbon atoms, and 5 nitrogen atoms.",c1cncc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6cccnc6)n5)ccc3n4-c3cccc4ccccc34)n2)c1
BondNum,"Please generate a molecule composed of 11 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",Cc1nc(N2CC([NH3+])(C(C)C)C2)ccc1Br
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amine group, 3 halo groups, and 1 nitrile group.",Cc1cc(F)cc(NCc2c(F)cc(C#N)cc2F)c1
AddComponent,Please add a carboxyl to the molecule NS(=O)(=O)c1cccc(Cl)c1CCCCO.,NS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1CCCCO
SubComponent,Please substitute a halo in the molecule Cc1nc(N2CCCC2c2nc3cccc(Cl)c3c(=O)n2-c2cccnc2)c2c(=O)ncnc-2[nH]1 with a hydroxyl.,Cc1nc(N2CCCC2c2nc3cccc(O)c3c(=O)n2-c2cccnc2)c2c(=O)ncnc-2[nH]1
DelComponent,Remove a halo from the molecule Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc2c(c1)CCC2.,Cn1c(COc2ccccc2)nnc1SCC(=O)c1ccc2c(c1)CCC2
LogP,Modify the molecule Cc1cccc(CSc2nnc(CNC(=O)C(C)C)n2-c2ccc([N+](=O)[O-])cc2)c1 to decrease its LogP value.,Cc1cccc(CSc2nnc(CNC(=O)C(C)(C)CC=O)n2-c2ccc([N+](=O)[O-])cc2)c1
MR,Please optimize the molecule CC1C(c2cccc(OC(F)(F)F)c2)OC(=O)N1C(=O)CCc1cccc2ccccc12 to have a higher MR value.,CC(=O)C(F)(F)Oc1cccc(C2OC(=O)N(C(=O)CCc3cccc4ccccc34)C2C)c1
QED,Please optimize the molecule COc1cccc(C2C([NH3+])CCCC(=O)N2C)c1OC to have a higher QED value.,COc1cccc(C2(c3ccccc3)C([NH3+])CCCC(=O)N2C)c1OC
AtomNum,"There is a molecule composed of 21 carbon atoms, 3 oxygen atoms, and 6 nitrogen atoms.",COc1ccc(CONC(=O)C=Cc2cn(Cc3nc4ccccc4[nH]3)nn2)cc1
BondNum,"There is a molecule with 6 single bonds, 2 double bonds, 2 rotatable bonds, and 5 aromatic bonds.",CCCc1csc(=NC(C)=S)n1C
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 3 amine groups, and 1 halo group.",CCNC(Nc1cccc(OCCCOC)c1)=[NH+]CCc1coc(-c2ccc(F)cc2)n1
AddComponent,Please add a benzene ring to the molecule Nc1cccc(CC2(F)CCS(=O)(=O)CC2)c1.,Nc1cccc(C(c2ccccc2)C2(F)CCS(=O)(=O)CC2)c1
SubComponent,Substitute a halo in the molecule Cc1ccc(-c2nnc(SCc3ccccc3Cl)n2N)cc1 with a hydroxyl.,Cc1ccc(-c2nnc(SCc3ccccc3O)n2N)cc1
DelComponent,Remove a CC(=O)NCCNC(=S)Nc1ccc(Oc2ccccc2)cc1 from the molecule amine.,CC(=O)NCCC(=S)Nc1ccc(Oc2ccccc2)cc1
LogP,Modify the molecule CCC1C(=O)c2cnc(-c3ccccc3)nc2N(C(=O)C[NH+](C(C)C)C(C)C)c2ccccc21 to have a lower LogP value.,CCC1C(=O)c2cncnc2N(C(=O)C[NH+](C(C)C)C(C)C)c2ccccc21
MR,Please modify the molecule O=C([O-])CCNC(=O)NC1CCCOc2cc(Cl)ccc21 to decrease its MR value.,O=C([O-])CCNC(=O)NC1CCCOc2ccccc21
QED,Modify the molecule O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=C[NH+]1CCCCCC1 to decrease its QED value.,CC(=O)c1ccc(N2C(=O)C(=C[NH+]3CCCCCC3)C(=O)NC2=S)cc1Cl
AtomNum,"The molecule has 9 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",O=C([O-])C1C[NH2+]CCN1C(=O)Cn1ccnn1
BondNum,"Please generate a molecule with 8 single bonds, 3 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCC(C(=O)NCc1csc(=O)[nH]1)C(N)=S
FunctionalGroup,Please generate a molecule with and 1 halo group.,CC1CCCCCN1c1cc(Br)nc(C(C)(C)C)n1
AddComponent,Modify the molecule CNC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)sc21 by adding a hydroxyl.,CNC(=O)Cn1c(=O)nc(-c2cccc(O)c2)c2cc(Cl)sc21
SubComponent,Substitute a Cc1c(N)cc(S(=O)(=O)N2CCOC(C#N)C2)cc1Cl in the molecule halo with a hydroxyl.,Cc1c(N)cc(S(=O)(=O)N2CCOC(C#N)C2)cc1O
DelComponent,Remove a amine from the molecule Cc1cc(C(N)=O)ccc1NCc1ccc(Br)o1.,Cc1cc(C(N)=O)ccc1Cc1ccc(Br)o1
LogP,Optimize the molecule Clc1ccccc1Cc1ccccc1Cl to have a higher LogP value.,Clc1ccccc1Cc1cccc(-c2ccccc2)c1Cl
MR,Please modify the molecule CC(=O)CC(C)S(=O)(=O)c1cccc(Br)c1 to decrease its MR value.,CC(=O)CC(C)S(=O)(=O)Br
QED,Optimize the molecule CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCCC1C(C)(C)O to have a lower QED value.,CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCCC1C(C)(O)CO
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)C(C)C(C)C)cc12
BondNum,"The molecule consists of 8 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCc1ccc(NCc2ccn(C(C)C)n2)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",C[NH2+]CCC(=O)N(C)Cc1ccccc1Br
AddComponent,Add a hydroxyl to the molecule CCCOc1ccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)cc1.,CCCOc1ccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)cc1O
SubComponent,Substitute a halo in the molecule CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2nc(CC(C)(C)C)cs2)CC1 with a nitro.,CC(=O)NC(Cc1cc(F)cc(NO)c1)C(O)C[NH2+]C1(c2nc(CC(C)(C)C)cs2)CC1
DelComponent,Please remove a hydroxyl from the molecule COc1cc(C(O)CC(C)CCC=C(C)C)ccc1O[Si](C)(C)C(C)(C)C.,COc1cc(CCC(C)CCC=C(C)C)ccc1O[Si](C)(C)C(C)(C)C
LogP,Optimize the molecule CCCc1nn(-c2ccc(C)cc2C)c(Cl)c1C#N to have a higher LogP value.,CCCc1nn(-c2ccc(C)cc2Cc2ccccc2)c(Cl)c1C#N
MR,Optimize the molecule CCC(CC)CN(CC)C(=O)c1cc(Br)cnc1N to have a lower MR value.,CCC(CC)CN(CC)C(=O)c1cccnc1N
QED,Modify the molecule [NH3+]C(C(=O)[O-])(c1cc(Br)ccc1F)C1CCCCC1 to decrease its QED value.,[NH3+]C(C(=O)[O-])(c1cc(NO)ccc1F)C1CCCCC1
AtomNum,"There is a molecule with 14 carbon atoms, and 3 nitrogen atoms.",c1cc2nc(CCC3CCCCC3)[nH]c2cn1
BondNum,"Please generate a molecule composed of 23 single bonds, 2 double bonds, 12 rotatable bonds, and 12 aromatic bonds.",CCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OCCCC)cc3C)CC2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amide group.",Cc1ccc(CCNC(=O)Cn2cnc3ncn(C)c(=O)c32)cc1
AddComponent,Modify the molecule CCCC1CC(O)(c2ccc3nc(C)ccc3c2)CCO1 by adding a hydroxyl.,CCCC1CC(O)(c2ccc3nc(C)ccc3c2)C(O)CO1
SubComponent,Modify the molecule CC1CC(=O)OC2CC3(C)C4CC(O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC3(C)C12 by substituting a hydroxyl with a nitro.,CC1CC(=O)OC2CC3(C)C4CC(NO)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC3(C)C12
DelComponent,Please remove a CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2([NH+](C)C)CCCCC2)nc1 from the molecule amine.,CCN(c1ccccc1)S(=O)(=O)c1ccc(CC2([NH+](C)C)CCCCC2)nc1
LogP,Modify the molecule CC[Si](CC)(CC)C(=CC1CCCCC1)CC(O)C1CCCCC1 to have a higher LogP value.,CC[Si](CC)(CC)C(=CC1CCCCC1)CCC1CCCCC1
MR,Modify the molecule OCCCNc1nc(NCC[NH+]2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)n1 to increase its MR value.,OCC(CNc1nc(NCC[NH+]2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)n1)c1ccccc1
QED,Optimize the molecule OCC(O)COCC(O)C(O)C(O)CO to have a higher QED value.,OCC(O)COCC(O)C(O)C(O)(CO)c1ccccc1
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1NC(=O)c1ccsc1
BondNum,"There is a molecule composed of 19 single bonds, 9 rotatable bonds, and 16 aromatic bonds.",CC(C)[NH+](CCNc1nc(Nc2ccccn2)nc2c1ncn2C1CCCCC1)C(C)C
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 nitrile group.",CCC(CC)C(=O)NC(C#N)c1ccncc1
AddComponent,Please add a benzene ring to the molecule CC(C)COS(=O)(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12.,CC(C)C(OS(=O)(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12)c1ccccc1
SubComponent,Substitute a CC(C1CC1)n1c([O-])c(-c2ccc(Cl)cc2)c(=O)[nH]c1=O in the molecule halo with a nitro.,CC(C1CC1)n1c([O-])c(-c2ccc(NO)cc2)c(=O)[nH]c1=O
DelComponent,Please remove a halo from the molecule CC(C)Oc1cc(NC(=O)CSCC(=O)[O-])c(Cl)cc1Cl.,CC(C)Oc1ccc(Cl)c(NC(=O)CSCC(=O)[O-])c1
LogP,Optimize the molecule CC(C)c1nc(NC2CCN(C(=O)C3CCCCC3)C2)nc(N(C)C)n1 to have a higher LogP value.,CC(C)c1nc(C2CCN(C(=O)C3CCCCC3)C2)nc(N(C)C)n1
MR,Modify the molecule CC(C)[NH2+]CC(O)C[NH+](C)Cc1cc(Br)cs1 to have a higher MR value.,CC(C)[NH2+]CC(S)C[NH+](C)Cc1cc(Br)cs1
QED,Please modify the molecule COc1ccc(-c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1OC to increase its QED value.,COc1ccc(-c2csc(C3CCN(C(=O)OC(C)(C)C)C(C(=O)O)C3)n2)cc1OC
AtomNum,"The molecule contains 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC1(CO)CCC[NH+](CCC[NH+]2CCOCC2)C1
BondNum,"There is a molecule consisting of 38 single bonds, 5 double bonds, and 3 rotatable bonds.",CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CCC3C3CC(C4OC4(C)C)OC3=O)C12C
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, and 1 sulfide group.",CNc1nc(CNC(=O)C(c2ccccc2)c2ccccc2)cs1
AddComponent,Modify the molecule CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CC(CCCCCCCCCC)CCCCCCCCCCCC)C5=O by adding a benzene ring.,CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CC(CCCCCCCCCC)CCCCCCCCCCC(C)c1ccccc1)C5=O
SubComponent,Substitute a halo in the molecule O=C(CSCCCO)Nc1ccc(Cl)cc1F with a carboxyl.,O=C(CSCCCO)Nc1ccc(C(=O)[OH])cc1F
DelComponent,Please remove a CCC([NH2+]Cc1sc(N(C)C)nc1OC)c1ccccc1 from the molecule benzene ring.,CCC[NH2+]Cc1sc(N(C)C)nc1OC
LogP,Modify the molecule N#CSc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc2)cc1 to have a lower LogP value.,N#CSc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c(O)c2)cc1
MR,Optimize the molecule CSCCC(NC(=O)C1CCC[NH2+]1)C(=O)NC(C(=O)NC(C(=O)[O-])C(C)O)C(C)O to have a lower MR value.,CSCCC(NC(=O)C1CCC[NH2+]1)C(=O)NC(C(=O)NC(C(=O)[O-])C(C)F)C(C)O
QED,Modify the molecule COc1cc(Cl)c(C(Br)c2cc(C)cc(F)c2)cc1Cl to have a lower QED value.,COc1cc(NO)c(C(Br)c2cc(C)cc(F)c2)cc1Cl
AtomNum,"There is a molecule composed of 16 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",O=[N+]([O-])c1ccc(OS(=O)OS(=O)c2cccc3ccccc23)cc1
BondNum,"Please generate a molecule composed of 16 single bonds, 1 double bond, and 6 rotatable bonds.",CC[NH2+]C1CC(C(C)C)CN(CCC(=O)[O-])C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 hydroxyl groups, and 1 borane group.",COCOCCOc1cc(OC)ccc1B(O)O
AddComponent,Add a aldehyde to the molecule C[NH+]=C(N)SC(C)(Cc1cc(C=C(F)c2ccc(Cl)cn2)cnc1F)C(=O)OC.,C[NH+]=C(N)SC(C)(Cc1cc(C(CC=O)=C(F)c2ccc(Cl)cn2)cnc1F)C(=O)OC
SubComponent,Please substitute a halo in the molecule NC(=O)c1cccc(NCC2CCC(F)(F)C2)c1 with a thiol.,NC(=O)c1cccc(NCC2CCC(F)(S)C2)c1
DelComponent,Modify the molecule halo by removing a Cn1nnc(Br)c1C(=O)OC1CC1.,Cn1nncc1C(=O)OC1CC1
LogP,Please modify the molecule Cc1ccc(C(C)Nc2ccc(O)c(C)c2)c(O)c1 to increase its LogP value.,Cc1ccc(C(C)Nc2ccc(C#N)c(C)c2)c(O)c1
MR,Optimize the molecule CC1(C)C2C(=O)N(Cc3ccc(C(=O)[O-])cn3)C(=O)C21 to have a higher MR value.,CC1(C)C2C(=O)N(Cc3cc(N)c(C(=O)[O-])cn3)C(=O)C21
QED,Modify the molecule CC1=C(c2ccco2)c2ccccc2C1 to decrease its QED value.,CC1=C(c2cc(-c3ccccc3)co2)c2ccccc2C1
AtomNum,"The molecule has 15 carbon atoms, 5 oxygen atoms, and 1 sulfur atom.",CCOC(=O)OC(C=CS(=O)(=O)c1ccccc1)C(C)C
BondNum,"The molecule contains 9 single bonds, 3 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",CNC(=O)NC(=O)C(C)OC(=O)c1ccc2ccccc2n1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, and 2 halo groups.",COc1ccc(Cl)cc1N1CC(c2nc(-c3cccc(Cl)c3)no2)CC1=O
AddComponent,Please add a aldehyde to the molecule N#Cc1ccc(Oc2cccc3c2CCC3Oc2ccc(C(CC(=O)[O-])NS(N)(=O)=O)cc2)cc1.,N#Cc1ccc(Oc2cccc3c2CCC3Oc2ccc(C(CC(=O)[O-])NS(N)(=O)=O)cc2)cc1CC=O
SubComponent,Modify the molecule CCC(CC)(C(O)c1c(F)ccc(C)c1F)[NH+](C)C by substituting a halo with a aldehyde.,CC(=O)c1ccc(C)c(F)c1C(O)C(CC)(CC)[NH+](C)C
DelComponent,Please remove a amide from the molecule CC(CNC(=O)CC([NH3+])c1ccccc1)COCc1ccccc1.,CC(COCc1ccccc1)CC([NH3+])c1ccccc1
LogP,Please optimize the molecule Cn1nc(-c2cc(Br)c(Br)s2)nc1N to have a higher LogP value.,Cn1cnc(-c2cc(Br)c(Br)s2)n1
MR,Modify the molecule CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 to decrease its MR value.,CCCCc1ccc(Sc2nnc(-c3ccc(F)cc3)o2)cc1
QED,Modify the molecule CS(=O)(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1Cl to have a higher QED value.,CS(=O)(=O)N(c1ccc(Cl)cc1Cl)c1ccccc1C#N
AtomNum,"The molecule is composed of 18 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",OCC#CC[N+]1(CC#Cc2ccccc2)CCCCC1
BondNum,"Please generate a molecule with 12 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC1(C)CCCN1C(=O)COc1cccc(N)c1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 6 halo groups.",[NH3+]C(c1cc(Cl)ccc1Cl)c1ccc(Br)cc1C(F)(F)F
AddComponent,Modify the molecule O=Cc1ccc(O)c(C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 by adding a amine.,NC(=Cc1cc(C=O)ccc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
SubComponent,Substitute a halo in the molecule COc1nc(-c2ccccc2F)nc2c1CCC1C(C)C(=O)C(=C[O-])CC21c1ccccc1 with a carboxyl.,COc1nc(-c2ccccc2C(=O)[OH])nc2c1CCC1C(C)C(=O)C(=C[O-])CC21c1ccccc1
DelComponent,Modify the molecule CCC(C)C1NC(=O)CCCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2C(C)NC1=O by removing a benzene ring.,CCC(C)C1NC(=O)CCCN(C(=O)CS(C)(=O)=O)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2C(C)NC1=O
LogP,Modify the molecule CC[NH2+]Cc1cc(Cl)ccc1N1CC[NH+]2CCCC2C1 to have a lower LogP value.,CC(O)[NH2+]Cc1cc(Cl)ccc1N1CC[NH+]2CCCC2C1
MR,Please optimize the molecule S=c1[nH]nc(Cn2nnc3ccccc32)n1N=Cc1ccccc1Cl to have a higher MR value.,Oc1cccc(C=Nn2c(Cn3nnc4ccccc43)n[nH]c2=S)c1Cl
QED,Optimize the molecule O=C(Nc1ccc(-n2cccc2)cc1)N1CCN(C(=O)c2ccco2)CC1 to have a higher QED value.,O=C(Nn1cccc1)N1CCN(C(=O)c2ccco2)CC1
AtomNum,"Please generate a molecule with 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1ccc(CCc2nc(C3CCCCC[NH2+]3)no2)cc1
BondNum,"The molecule is composed of 8 single bonds, 1 triple bond, 5 rotatable bonds, and 10 aromatic bonds.",C#CC[NH+](CC)Cc1c(C[NH3+])sc2ccccc12
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 ketone group, 2 amide groups, and 7 halo groups.",CC(C)(C(=O)NCc1ccc(Cl)c(C(=O)Cc2cnc(OCC(F)F)c(C(=O)Nc3ccc(Br)cc3)c2)c1)C(F)(F)F
AddComponent,Please add a benzene ring to the molecule COCCOCCNc1cc(Cl)ccc1N.,Nc1ccc(Cl)cc1NCCOCCOCc1ccccc1
SubComponent,Please substitute a halo in the molecule CCC(C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O with a nitrile.,CCC(C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1C#N)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O
DelComponent,Modify the molecule COc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1Cl by removing a halo.,COc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1
LogP,Modify the molecule Cc1ccc(NC(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])cc1Br to increase its LogP value.,Cc1ccc(OC(=O)c2cccc(C)c2[N+](=O)[O-])cc1Br
MR,Modify the molecule CCCC1=C(C(=O)OC)C(c2ccc(C(=O)OC)cc2)NC(=O)N1c1ccc(Cl)cc1 to decrease its MR value.,CCCC1=C(C(=O)OC)C(c2ccc(C(=O)OC)cc2)NC(=O)N1c1ccc(O)cc1
QED,Optimize the molecule CC1(C)C(C#N)CCN1c1cccc(C(F)(F)F)c1 to have a lower QED value.,CC1(C)C(C#N)CCN1c1cccc(C(F)(F)NO)c1
AtomNum,"The molecule contains 7 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CCSCC(C)NC(=O)NC
BondNum,"The molecule has 8 single bonds, 3 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",O=C(NCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)s1)c1ccccc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 aldehyde group, 1 ester group, and 1 amine group.",COC(=O)Cn1nc(-c2ccc(C)cc2)c(C=O)c1N
AddComponent,Add a hydroxyl to the molecule CCCCC(C)C1OC1OC1OC1C(CCC)CCC.,CCCCC(C)C1OC1(O)OC1OC1C(CCC)CCC
SubComponent,Modify the molecule halo by substituting a CCCCCCC(F)COC1=C(CCCCCCCCC2CCCC2)C=NC(F)(c2ccccc2)N1F with a aldehyde.,CC(=O)C(CCCCCC)COC1=C(CCCCCCCCC2CCCC2)C=NC(F)(c2ccccc2)N1F
DelComponent,Remove a halo from the molecule O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)sc2c1CCCC2.,O=C(Nc1ccccc1)c1c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)sc2c1CCCC2
LogP,Optimize the molecule O=CN(NS(=O)(=O)c1ccc(Cl)s1)C1=C(F)CC(=O)C=C1C1[NH2+]C=Cc2ccccc21 to have a lower LogP value.,ONc1ccc(S(=O)(=O)NN(C=O)C2=C(F)CC(=O)C=C2C2[NH2+]C=Cc3ccccc32)s1
MR,Please modify the molecule Cn1cc(C[NH2+]C2CCC(C(N)=O)CC2)cc1C#N to increase its MR value.,Cn1cc(C[NH2+]C2CCC(C(N)=O)CC2)cc1Cl
QED,Please modify the molecule CCc1c[nH]c2c(Cl)nccc2c1=O to increase its QED value.,CCc1c[nH]c2c(C(=O)[OH])nccc2c1=O
AtomNum,"The molecule is composed of 26 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",C=CCOc1cccc(C2C(=C([O-])c3cc(C)c(OC)cc3C)C(=O)C(=O)N2CCOC)c1
BondNum,"The molecule contains 24 single bonds, 4 double bonds, 1 triple bond, 5 rotatable bonds, and 12 aromatic bonds.",CC1CC(c2ccc(C3CCC(CC(=O)[O-])CC3)cc2)=NC=C1C1=Nc2cc(C#N)cnc2C2[NH2+]C12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, 1 amine group, 1 sulfoxide group, and 1 sulfone group.",COC(=O)c1ccccc1S(=O)(=O)NCC(C)S(C)=O
AddComponent,Modify the molecule CNc1nc(C)cc(OCCOc2ccccc2)n1 by adding a hydroxyl.,CNc1nc(C)cc(OCC(O)Oc2ccccc2)n1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 with a halo.,Cc1ncc(C[n+]2csc(CCCl)c2C)c(N)n1
DelComponent,Remove a amine from the molecule C=CCN(CC=C)C(=O)c1cc2cnn(C(C)C)c2nc1N.,C=CCN(CC=C)C(=O)c1cnc2c(cnn2C(C)C)c1
LogP,Optimize the molecule N#Cc1ccc(CNC(=O)N(CCO)Cc2ccccc2)cc1 to have a lower LogP value.,N#CCNC(=O)N(CCO)Cc1ccccc1
MR,Optimize the molecule Oc1cccc(-c2csc(NN=CC=Cc3ccccc3)n2)c1 to have a higher MR value.,O=C([OH])c1cccc(-c2csc(NN=CC=Cc3ccccc3)n2)c1
QED,Please optimize the molecule C[NH+]=C(NCCc1ccco1)NCc1ccccc1S(=O)(=O)N(C)C to have a higher QED value.,C[NH+]=C(CCc1ccco1)NCc1ccccc1S(=O)(=O)N(C)C
AtomNum,"The molecule is composed of 21 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccnc2)CC1
BondNum,"The molecule is composed of 19 single bonds, 1 double bond, and 4 rotatable bonds.",CC(C)NC(=O)C(C)OC1C2CC3C[NH2+]C1C3C2
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amine group, 1 nitro group, 1 halo group, and 1 sulfone group.",O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1F
AddComponent,Modify the molecule CCC(CC#N)NC(=O)C1CCOC1 by adding a benzene ring.,CCC(CC#N)NC(=O)C1COC(c2ccccc2)C1
SubComponent,Please substitute a OCC#Cc1cc(COCc2cccc(Cl)c2)ccc1F in the molecule halo with a hydroxyl.,OCC#Cc1cc(COCc2cccc(O)c2)ccc1F
DelComponent,Remove a amine from the molecule CC(CCc1ccco1)[NH+]=C(N)NC(C)(C)C.,CC(CCc1ccco1)C(N)NC(C)(C)C
LogP,Please modify the molecule C[NH+]1CCN(c2cc(F)cc(C=CC(=O)[O-])c2)CC1(C)C to decrease its LogP value.,C[NH+]1CCN(C(F)=CC(=O)[O-])CC1(C)C
MR,Modify the molecule COc1ccc(-c2nc(CSCC(=O)NC(C)c3ccccc3)co2)cc1 to have a lower MR value.,COc1nc(CSCC(=O)NC(C)c2ccccc2)co1
QED,Optimize the molecule CC(C)(Nc1cc[nH+]c2c1CCCC2)C(=O)[O-] to have a lower QED value.,CC(C)(C(=O)[O-])c1cc[nH+]c2c1CCCC2
AtomNum,"There is a molecule consisting of 14 carbon atoms, and 2 nitrogen atoms.",CCC([NH2+]C(C)c1ccccn1)C(C)(C)C
BondNum,"The molecule has 9 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",Cc1cnc(Cl)nc1NCCC[NH+](C)C
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 hydroxyl groups, 2 thioether groups, and 1 sulfide group.",CSCCc1ccc(O)c(O)c1
AddComponent,Modify the molecule CN(C)c1nc(=O)cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)[nH]1 by adding a benzene ring.,CN(C)c1nc(=O)cc(C(=O)NC2CC[NH+](C3CCCC3)C(c3ccccc3)C2)[nH]1
SubComponent,Please substitute a halo in the molecule CCOC(=O)c1ccc(C[NH2+]C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 with a thiol.,CCOC(=O)c1ccc(C[NH2+]C=C(C#N)C(=O)Nc2ccc(S)cc2)cc1
DelComponent,Modify the molecule CC(O)C1C(=O)N2C(C(=O)[O-])=C(SC=Cc3ncc(CO)s3)C(C)C12 by removing a hydroxyl.,Cc1cnc(C=CSC2=C(C(=O)[O-])N3C(=O)C(C(C)O)C3C2C)s1
LogP,Modify the molecule CCOC(=O)C=COc1ccc(C)cc1C1C(C(=O)OCC)NC(c2ccc(Br)cc2)C1[N+](=O)[O-] to decrease its LogP value.,CCOC(=O)C=COc1ccc(C)cc1C1C(C(=O)OCC)NC(c2ccc(O)cc2)C1[N+](=O)[O-]
MR,Optimize the molecule CCCn1ncnc1C(C)NC(=O)N(C)Cc1ccccc1 to have a higher MR value.,CCCn1ncnc1C(C)NC(=O)N(C)C(c1ccccc1)c1ccccc1
QED,Modify the molecule C[NH2+]Cc1n[nH]c(C)c1S(=O)(=O)NCC(C)COC to have a higher QED value.,C[NH2+]Cc1n[nH]c(C)c1S(=O)(=O)CC(C)COC
AtomNum,"There is a molecule composed of 23 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",Cc1cc(C(=O)[O-])ccc1-n1c(C)cc(C=C(C#N)c2cccc(Br)c2)c1C
BondNum,"There is a molecule composed of 10 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCC([NH3+])Cc1cccc(OCc2cc(F)ccc2C)c1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 hydroxyl group, and 1 sulfone group.",CCN(CC)c1ccc(CN(CC(O)COc2ccc(OC)cc2)C2CCS(=O)(=O)C2)cc1
AddComponent,Modify the molecule C[NH+]=C(NCCc1ccc(OC)cc1O)NCC(c1ccco1)[NH+]1CCCC1 by adding a hydroxyl.,C[NH+]=C(NCC(c1ccco1)[NH+]1CCCC1)NC(O)Cc1ccc(OC)cc1O
SubComponent,Please substitute a halo in the molecule CN(CC(=O)Nc1cc(F)ccc1N1CCCCC1)S(=O)(=O)c1ccc(F)cc1 with a thiol.,CN(CC(=O)Nc1cc(S)ccc1N1CCCCC1)S(=O)(=O)c1ccc(F)cc1
DelComponent,Remove a Cc1cc(CCCO)cc(Cl)c1C from the molecule hydroxyl.,CCCc1cc(C)c(C)c(Cl)c1
LogP,Optimize the molecule CCOc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1 to have a higher LogP value.,CCOc1ccc(C(c2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1
MR,Modify the molecule CC(Cc1ccccc1Cl)[NH2+]C1CCSC1C to decrease its MR value.,CC(CCl)[NH2+]C1CCSC1C
QED,Modify the molecule COC(=O)c1ccc2c(c1)C(c1ccc(CC#N)cc1)=CCC2 to have a lower QED value.,COC(=O)c1ccc2c(c1)C(c1ccc(CNO)cc1)=CCC2
AtomNum,"There is a molecule consisting of 17 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COCCC(NC(=O)c1cnn(-c2cccc(C)c2)c1C)C(=O)[O-]
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 23 aromatic bonds.",N#Cc1ccccc1-c1ccccc1C(=O)OCc1noc(-c2ccc(F)cc2)n1
FunctionalGroup,"Please generate a molecule with 1 ketone group, 1 amide group, and 1 sulfide group.",CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccc5ccccc45)C3c3cccnc3)sc2c1
AddComponent,Add a hydroxyl to the molecule CCOc1ccc2sc(N)cc2c1CC#N.,CCOc1cc(O)c2sc(N)cc2c1CC#N
SubComponent,Modify the molecule hydroxyl by substituting a CC(=O)OC1CCC2(C)C(=CC(OC(C)=O)C3C4CCC(=O)C4(C)CC(O)C32)C1 with a thiol.,CC(=O)OC1CCC2(C)C(=CC(OC(C)=O)C3C4CCC(=O)C4(C)CC(S)C32)C1
DelComponent,Remove a benzene ring from the molecule CCCCCCc1ccc(-c2nnc(-c3ccc4cc(O)ccc4c3)s2)cc1.,CCCCCCc1nnc(-c2ccc3cc(O)ccc3c2)s1
LogP,Please optimize the molecule C=CC(=O)OCC(COCCCS)OC(=O)c1ccc(C(C)(C)C)cc1 to have a lower LogP value.,C=CC(=O)OCC(COCCCNO)OC(=O)c1ccc(C(C)(C)C)cc1
MR,Modify the molecule CC(C)c1ccc(C(C)(C)C[NH2+]CC(O)C[NH3+])cc1 to decrease its MR value.,CC(C)C(C)(C)C[NH2+]CC(O)C[NH3+]
QED,Optimize the molecule CN(C)C(=O)c1csc(N2N=C(c3cc(F)ccc3F)SC2(CCCN=[N+]=[N-])c2ccccc2)n1 to have a higher QED value.,CN(C)C(=O)c1csc(N2N=C(c3ccccc3F)SC2(CCCN=[N+]=[N-])c2ccccc2)n1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 4 chlorine atoms.",O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1
BondNum,"There is a molecule consisting of 32 single bonds, 7 double bonds, 17 rotatable bonds, and 16 aromatic bonds.",CC(O)C(NC(=O)C(CCCC[NH3+])NC(=O)C1CCCN1C(=O)C(CCC[NH+]=C(N)N)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)[O-]
FunctionalGroup,The molecule consists of and 1 sulfide group.,CCCCCCCCCCCCOc1ccc2cc(-c3ccc(-n4c5ccc(-n6c7ccc(-n8c9ccc(C(C)(C)C)cc9c9cc(C(C)(C)C)ccc98)cc7c7cc(-n8c9ccc(C(C)(C)C)cc9c9cc(C(C)(C)C)ccc98)ccc76)cc5c5cc(-n6c7ccc(-n8c9ccc(C(C)(C)C)cc9c9cc(C(C)(C)C)ccc98)cc7c7cc(-n8c9ccc(C(C)(C)C)cc9c9cc(C(C)(C)C)ccc98)ccc76)ccc54)s3)c(=O)oc2c1
AddComponent,Modify the molecule [NH3+]C1CCCN(CCC2CCOC2)C1=O by adding a hydroxyl.,[NH3+]C1CC(O)CN(CCC2CCOC2)C1=O
SubComponent,Substitute a halo in the molecule COc1cc(CNc2ccc(C(=O)[O-])c(Cl)c2)ccc1OCc1ccc(F)cc1 with a thiol.,COc1cc(CNc2ccc(C(=O)[O-])c(S)c2)ccc1OCc1ccc(F)cc1
DelComponent,Remove a benzene ring from the molecule COc1ccc(N2C(=[NH2+])SC(=Cc3ccc(OCC(C)C)c(OC)c3)C2=O)cc1.,COC(OCC(C)C)=C1SC(=[NH2+])N(c2ccc(OC)cc2)C1=O
LogP,Optimize the molecule CC(c1ccccc1F)N(C)C(=O)c1ccccc1NN to have a lower LogP value.,CC(F)N(C)C(=O)c1ccccc1NN
MR,Optimize the molecule CCNc1nc(Nc2cccc(F)c2C)cc(-c2ccncc2)n1 to have a higher MR value.,CCNc1nc(Nc2ccccc2C)cc(-c2ccncc2)n1
QED,Modify the molecule O=C(Nc1ccc(Cl)nn1)c1ccc(Br)s1 to have a lower QED value.,O=C(Nc1ccc(Cl)nn1)c1cccs1
AtomNum,"Please generate a molecule with 32 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 3 sulfur atoms.",CCN1C(=O)C(C2SC(=Cc3ccc4c(c3)C3CCCC3N4c3ccc(CO)cc3)C(=O)N2CCC#COC=O)SC1=S
BondNum,"Please generate a molecule consisting 20 single bonds, 6 double bonds, and 11 rotatable bonds.",CCCCCCNC(=O)COCC(=O)ON1C(=O)CC(S(=O)(=O)[O-])C1=O
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amide groups, 1 halo group, 1 thioether group, and 1 sulfide group.",Cc1ccc(N2C(=O)CSc3c(c4ccccc4n3C)C2C(=O)NCCCOC(C)C)c(Cl)c1
AddComponent,Modify the molecule OCC1([NH2+]C2CNC2)CCOCC1 by adding a amine.,NC1COCCC1(CO)[NH2+]C1CNC1
SubComponent,Substitute a CC1(C)OC2C(CC3CCOC3O)OC(n3cnc4c(NC(=O)c5ccccc5)ncnc43)C2O1 in the molecule hydroxyl with a nitrile.,CC1(C)OC2C(CC3CCOC3C#N)OC(n3cnc4c(NC(=O)c5ccccc5)ncnc43)C2O1
DelComponent,Modify the molecule Cc1cc(C(O)Cc2ccccc2C)c(Cl)cc1F by removing a hydroxyl.,Cc1cc(CCc2ccccc2C)c(Cl)cc1F
LogP,Optimize the molecule CC1CNC(=O)CCN1C(=O)Cc1ccc(O)c(Cl)c1 to have a lower LogP value.,CC1CNC(=O)CCN1C(=O)Cc1ccc(O)cc1
MR,Please optimize the molecule CC(C)CNCc1cc(N(C)CC2CCCCC2)cc[nH+]1 to have a lower MR value.,CC(C)CCc1cc(N(C)CC2CCCCC2)cc[nH+]1
QED,Modify the molecule CC(C)(C)Nc1c(C(=O)C(F)(F)F)c[nH+]c2cc(Cl)ccc12 to increase its QED value.,CC(C)(C)Nc1c(C(=O)C(F)F)c[nH+]c2cc(Cl)ccc12
AtomNum,"Please generate a molecule with 21 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCOCCCNC(=O)C=Cc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1
BondNum,"Please generate a molecule composed of 10 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",COc1nc(C(=O)NCc2cc(C)ccc2C)ccc1-n1cnc(C)c1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 1 thioether group, 2 sulfide groups, and 1 sulfone group.",CCC(C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1ccccc1)S(C)(=O)=O
AddComponent,Add a benzene ring to the molecule Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)CSc1ncn[nH]1.,Cc1ccc(-c2nn(C)c(=O)c3ccc(-c4ccccc4)cc23)cc1CNC(=O)CSc1ncn[nH]1
SubComponent,Substitute a CCCOc1c(Cl)cc(C=NNC(=O)c2ccccc2OC)cc1Cl in the molecule halo with a nitrile.,CCCOc1c(Cl)cc(C=NNC(=O)c2ccccc2OC)cc1C#N
DelComponent,Remove a benzene ring from the molecule C[NH+]=C(NCc1cccc(Cn2cncn2)c1)N1CC(C)(C)C1(C)C.,C[NH+]=C(NCCn1cncn1)N1CC(C)(C)C1(C)C
LogP,Please modify the molecule C[NH2+]C(Cc1cccnc1)Cc1ccc(Br)cc1Cl to decrease its LogP value.,C[NH2+]C(Cc1ccc(Br)cc1)Cc1cccnc1
MR,Modify the molecule CCOC(=O)COc1ccccc1C(=O)CN1C(=O)C(NC(=O)Nc2cccc(-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)N=C(c2ccccc2F)c2cccc(C)c21 to have a higher MR value.,CCOC(=O)COc1ccccc1C(=O)CN1C(=O)C(NC(=O)Nc2cccc(-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)N=C(c2ccccc2)c2cccc(C)c21
QED,Optimize the molecule Cc1nc2sc(C(=O)NC3COC3)c(N)c2c(C)c1Cl to have a lower QED value.,Cc1nc2sc(C(=O)NC3COC3c3ccccc3)c(N)c2c(C)c1Cl
AtomNum,"Please generate a molecule with 19 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc(Cn2ccnc2SCC(=O)Nc2cccc(Cl)c2)cc1
BondNum,"There is a molecule with 8 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1cccc(F)c1CCCc1ccc(N)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ester group, 1 thioether group, and 1 sulfide group.",CC=CC(C)(SC(=O)CC)C(=O)OCc1ccccc1
AddComponent,Modify the molecule Cc1csc(C(C#N)C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)n1 by adding a aldehyde.,Cc1nc(C(C#N)C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)sc1CC=O
SubComponent,Please substitute a halo in the molecule Cc1cn2c(C[NH+]3CCN(C(=O)c4ccco4)CC3)c(-c3ccc(Cl)cc3)nc2s1 with a thiol.,Cc1cn2c(C[NH+]3CCN(C(=O)c4ccco4)CC3)c(-c3ccc(S)cc3)nc2s1
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccc(NC(=S)N(C)C23CC4CC(CC(C4)C2)C3)cc1.,CCONC(=S)N(C)C12CC3CC(CC(C3)C1)C2
LogP,Modify the molecule COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(C(=O)c5cccc(Cl)c5)CC4)c(C)c3)c2c1 to have a lower LogP value.,COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(C(=O)c5cccc(NO)c5)CC4)c(C)c3)c2c1
MR,Please modify the molecule COCCN(CC1CCC[NH2+]1)C(=O)C(F)(F)F to increase its MR value.,CC(=O)C(F)(F)C(=O)N(CCOC)CC1CCC[NH2+]1
QED,Please optimize the molecule O=C(Nc1cccc(C(=O)N2CCC(CO)CC2)c1)c1ccc(-c2ccc(F)cc2)o1 to have a lower QED value.,O=C(Nc1cccc(C(=O)N2CCC(CI)CC2)c1)c1ccc(-c2ccc(F)cc2)o1
AtomNum,"The molecule has 13 carbon atoms, 3 nitrogen atoms, and 3 sulfur atoms.",CCc1ccc(Nc2nnc(SCCSC)s2)cc1
BondNum,"Please generate a molecule composed of 11 single bonds, 2 double bonds, 9 rotatable bonds, and 17 aromatic bonds.",O=S(=O)(c1ccccc1NCc1cccc(COCc2ccco2)c1)C(F)F
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, 1 sulfone group, and 1 borane group.",CC(C)(C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(C)(C)C)c1
AddComponent,Add a hydroxyl to the molecule Cc1c(CS(=O)(=O)[O-])ccc2c1C(=O)N(Cc1ccccc1-c1ccccc1)C2C(=O)NC(C)(C)C.,Cc1c(CS(=O)(=O)[O-])ccc2c1C(=O)N(Cc1ccccc1-c1ccccc1)C2C(=O)NC(C)(C)CO
SubComponent,Modify the molecule Cn1ccc(C2CCCN(C(=O)CCCl)C2)n1 by substituting a halo with a aldehyde.,CC(=O)CCC(=O)N1CCCC(c2ccn(C)n2)C1
DelComponent,Modify the molecule hydroxyl by removing a CC(O)c1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)CCC2c1sc(=O)[nH]c1[O-].,CCc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)CCC2c1sc(=O)[nH]c1[O-]
LogP,Modify the molecule CCC[NH2+]CCNC(=O)CSc1ccc(O)cc1 to decrease its LogP value.,CCC[NH2+]CCNC(=O)CSO
MR,Please modify the molecule Cn1cc(-c2cnc3[nH]cc(-c4nnc(Cc5cccc(F)c5F)o4)c3c2)cn1 to increase its MR value.,Cn1cc(-c2cnc3[nH]cc(-c4nnc(Cc5cccc(F)c5F)o4)c3c2-c2ccccc2)cn1
QED,Modify the molecule CC(C)(NC(=O)c1nc(OCC2CC2)ccc1Cl)c1ncon1 to decrease its QED value.,CC(Cc1ccccc1)(NC(=O)c1nc(OCC2CC2)ccc1Cl)c1ncon1
AtomNum,"The molecule has 16 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Cc1nc2n(n1)CCN(C(=O)C1CC3CCCC(C1)C3[NH3+])C2
BondNum,"Please generate a molecule composed of 9 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CNC(c1ccc(OC)c(F)c1)C(F)F
FunctionalGroup,The molecule contains and 1 ketone group.,Cc1nccn1CC(=O)c1cccnc1
AddComponent,Please add a amine to the molecule CC(C)(C)[NH2+]Cc1ccsc1Cl.,CC(C)(CN)[NH2+]Cc1ccsc1Cl
SubComponent,Please substitute a halo in the molecule O=S(=O)(Cl)ONc1ccccc1 with a thiol.,O=S(=O)(S)ONc1ccccc1
DelComponent,Modify the molecule benzene ring by removing a O=C(c1ccnc(C(=O)N(Cc2ccccc2-c2ccccc2)Cc2ccccc2-c2ccccc2)c1)N(Cc1ccccc1-c1ccccc1)Cc1ccccc1-c1ccccc1.,O=C(c1ccnc(C(=O)N(Cc2ccccc2)Cc2ccccc2-c2ccccc2)c1)N(Cc1ccccc1-c1ccccc1)Cc1ccccc1-c1ccccc1
LogP,Modify the molecule CNc1nc(NCC(C)C)cc(C(F)(F)F)n1 to have a higher LogP value.,Cc1nc(NCC(C)C)cc(C(F)(F)F)n1
MR,Please modify the molecule O=C(Nc1cccc2cnccc12)c1ncn[nH]1 to increase its MR value.,O=C(Nc1cc(O)cc2cnccc12)c1ncn[nH]1
QED,Optimize the molecule CC(C)c1ccc(F)c(CCC[NH3+])c1F to have a higher QED value.,CC(C)c1c(-c2ccccc2)cc(F)c(CCC[NH3+])c1F
AtomNum,"There is a molecule consisting of 14 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",Cc1nc2cc(C(=O)N3CC[NH2+]CC3)ccc2n1C
BondNum,"Please generate a molecule composed of 5 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",Cc1occc1C(=O)Cc1ccc(Br)cn1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, and 2 halo groups.",Cc1ncn(Cc2cc(Cl)ccc2N)c(=O)c1Br
AddComponent,Modify the molecule CCCC[NH+](CCCC)Cc1cccnc1NN by adding a amine.,CCCC[NH+](Cc1cccnc1NN)CC(N)CC
SubComponent,Modify the molecule halo by substituting a O=C(CSc1nc2c(sc3ncccc32)c(=O)n1CC1CCCO1)Nc1cc(F)ccc1F with a hydroxyl.,O=C(CSc1nc2c(sc3ncccc32)c(=O)n1CC1CCCO1)Nc1cc(O)ccc1F
DelComponent,Modify the molecule halo by removing a CC(CC(N)=[NH+]O)N(C)C(=O)c1ccc(F)c(F)c1F.,CC(CC(N)=[NH+]O)N(C)C(=O)c1ccc(F)cc1F
LogP,Please modify the molecule Cc1nc2c(CCCCNS(=O)(=O)c3ccccc3)ccc3[nH]c(=O)c1n32 to decrease its LogP value.,Cc1nc2c(CCCCN[SH](=O)=O)ccc3[nH]c(=O)c1n32
MR,Modify the molecule COc1ccc2oc(-c3ccc(C)cc3)nc2c1 to decrease its MR value.,COc1ccc2oc(C)nc2c1
QED,Modify the molecule COc1ccc(C2SCC(=O)N2Cc2ccc(F)c(F)c2F)cc1 to have a higher QED value.,COc1ccc(C2SCC(=O)N2Cc2ccc(NO)c(F)c2F)cc1
AtomNum,"There is a molecule with 24 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)c1ccc(C(C)(C)C)cc1
BondNum,"The molecule has 22 single bonds, 6 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",Cc1c(C)c(NC(=O)N(CC(=O)[O-])CC(=O)[O-])c(C)c(NC(=O)N(CC(=O)[O-])CC(=O)[O-])c1C
FunctionalGroup,"The molecule has 2 ketone groups, 1 amine group, and 2 halo groups.",CC(C)(C)OC(=O)NCCNc1ncc2c(c1[O-])C(=O)c1c(F)ccc(F)c1C2=O
AddComponent,Modify the molecule Cc1nc(=O)c(S(C)(=O)=O)c(C)[nH]1 by adding a benzene ring.,Cc1[nH]c(Cc2ccccc2)nc(=O)c1S(C)(=O)=O
SubComponent,Substitute a hydroxyl in the molecule OCc1nc(N2CCCC2C2CCCC2)ccc1Cl with a halo.,Clc1ccc(N2CCCC2C2CCCC2)nc1CBr
DelComponent,Please remove a CCOc1ccc2c(ccn2CC(=O)Nc2ccc(CC)cc2)c1 from the molecule amide.,CCOc1ccc2c(ccn2-c2ccc(CC)cc2)c1
LogP,Optimize the molecule C=CCNC(=O)CC1CCN(C(=O)Nc2cccc(OC)c2)CC1CC to have a lower LogP value.,C=CCNC(=O)CC1CCN(C(=O)Nc2cc(OC)ccc2O)CC1CC
MR,Please optimize the molecule CCc1ccc2occ(C[NH2+]CC3CCC(Nc4nc(N(C)C)c5ccccc5n4)CC3)c(=O)c2c1 to have a lower MR value.,CCc1ccc2occ(C[NH2+]CC3CCC(c4nc(N(C)C)c5ccccc5n4)CC3)c(=O)c2c1
QED,Modify the molecule COC(=O)C(OC(C)(C)C)c1c(C)cc2[nH+]c(-c3cccc(-c4ccc(F)cc4F)c3)cn2c1N1CCC(C)(C)CC1 to have a higher QED value.,COC(=O)C(OC(C)(C)C)c1c(C)cc2[nH+]c(-c3ccc(F)cc3F)cn2c1N1CCC(C)(C)CC1
AtomNum,"The molecule consists of 24 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",COc1ccc(C2C(C)C(c3ccccc3OC)=NN2c2cccc(Cl)c2)cc1F
BondNum,"The molecule contains 6 single bonds, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",CCOc1cc(C)nc(C)c1C#N
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 3 halo groups.",COc1cc(C=Nn2c(C3CCCCC3)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1OCC(=O)N1CCOCC1
AddComponent,Please add a hydroxyl to the molecule Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CC5C[NH+](C(O)OC(C)(C)C)C5)CC4)n3)ccc12.,Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CC5(O)C[NH+](C(O)OC(C)(C)C)C5)CC4)n3)ccc12
SubComponent,Substitute a halo in the molecule O=C(NC1CCCCC1)c1ccc(NCc2c(Cl)cccc2Cl)cc1 with a aldehyde.,CC(=O)c1cccc(Cl)c1CNc1ccc(C(=O)NC2CCCCC2)cc1
DelComponent,Modify the molecule CCc1nncn1CCNC(=[NH+]C)N1CC(C)OC(c2ccc(F)cc2)C1 by removing a amine.,CCc1nncn1CCNC(C)N1CC(C)OC(c2ccc(F)cc2)C1
LogP,Optimize the molecule Cc1cccc(NCCCc2ccccn2)c1 to have a higher LogP value.,Cc1cccc(NC(CCc2ccccn2)c2ccccc2)c1
MR,Modify the molecule O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccc(F)cc1 to have a higher MR value.,O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccc(C(=O)[OH])cc1
QED,Modify the molecule CC1CCCN(C(=O)C2CCN(C(=O)C(C)Oc3ccccc3Cl)CC2)C1 to decrease its QED value.,CC(=O)c1ccccc1OC(C)C(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1
AtomNum,"The molecule has 15 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",O=C(COc1ccccc1CCO)N1CCCCC1
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",C=CCNC(=O)c1ccc(NC2CCCC2)cc1
FunctionalGroup,The molecule contains and 1 halo group.,COc1nc(C(=O)[O-])nc2cccc(Cl)c12
AddComponent,Modify the molecule CC(Nc1cncc(Br)c1)c1cc(F)ccc1N1CCC(O)CC1 by adding a benzene ring.,CC(Nc1cncc(Br)c1)c1cc(F)ccc1N1CCC(O)C(c2ccccc2)C1
SubComponent,Please substitute a Cc1c(C(=O)Nc2ccc3[nH+]c(-c4ccc(F)cc4)cn3c2)cccc1[N+](=O)[O-] in the molecule halo with a nitro.,Cc1c(C(=O)Nc2ccc3[nH+]c(-c4ccc(NO)cc4)cn3c2)cccc1[N+](=O)[O-]
DelComponent,Remove a halo from the molecule O=C1C2CCCN2C(=O)c2ccc(Cl)cc2N1Cc1ccccc1Cl.,O=C1C2CCCN2C(=O)c2ccc(Cl)cc2N1Cc1ccccc1
LogP,Please modify the molecule CCc1ccc(C(C(=O)Nc2ccccc2C)N(CCO)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)cc1 to increase its LogP value.,CCc1ccc(C(C(=O)Nc2ccccc2C)N(CC)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)cc1
MR,Optimize the molecule C=CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(OC)cc1 to have a lower MR value.,C=CCn1c(OC)nnc1SCC(=O)N1CCN(c2ccccc2)CC1
QED,Modify the molecule CN(CC1CC1)c1nccc(C#N)n1 to decrease its QED value.,CN(CC1CC1)c1nccc(S)n1
AtomNum,"Please generate a molecule with 22 carbon atoms, 6 oxygen atoms, and 6 nitrogen atoms.",CC(C)CC([NH3+])C(=O)NC(CCCC[NH3+])C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)[O-])C(C)C
BondNum,"Please generate a molecule with 19 single bonds, 7 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",NC1=[NH+]C(=O)C2C(CNc3ccc(C(=O)NC(CCC=O)C(=O)[O-])cc3)=C[NH+]=C2N1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfone group.",CN(Cc1cccc(Br)c1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1
AddComponent,Modify the molecule CC(O)C(C)[NH+]1CCC(C)(C)C1 by adding a hydroxyl.,CC(O)C(CO)[NH+]1CCC(C)(C)C1
SubComponent,Modify the molecule O=C(CCOc1ccc(F)c(F)c1)C1CCC[NH2+]C1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(OCCC(=O)C2CCC[NH2+]C2)cc1F
DelComponent,Modify the molecule CCC(NC(=O)N(C)CC(C)(C)C)c1ccc(C)cc1 by removing a benzene ring.,CCC(C)NC(=O)N(C)CC(C)(C)C
LogP,Modify the molecule Clc1ccccc1-c1cccc2cnc(Nc3ccc(N4CC[NH2+]CC4)nc3)nc12 to decrease its LogP value.,ONc1ccccc1-c1cccc2cnc(Nc3ccc(N4CC[NH2+]CC4)nc3)nc12
MR,Modify the molecule CCC([NH2+]Cc1ccc(CO)cc1)c1cccc(Br)c1 to decrease its MR value.,CCC([NH2+]Cc1ccc(CO)cc1)c1cccc(NO)c1
QED,Optimize the molecule O=C(Nc1ccccc1CCC(F)(F)F)C(O)c1ccccc1 to have a lower QED value.,O=C(Nc1ccccc1CCC(F)(F)S)C(O)c1ccccc1
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",CC(C)(C)c1nnc(NN=Cc2ccc(O)cc2)n(N)c1=O
BondNum,"The molecule consists of 11 single bonds, 3 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",COc1ccc(NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, 1 amine group, and 2 halo groups.",CC1(O)CCCN(c2ccc(N)cc2C(F)F)CC1
AddComponent,Add a amine to the molecule CCONC(=O)c1ccc(CSc2nc(Cl)cc(N3CCCCC3)n2)cc1.,CCONC(=O)c1ccc(CSc2nc(Cl)cc(N3CCCCC3)n2)c(N)c1
SubComponent,Substitute a halo in the molecule CC1CN(C(C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2OC1CN(C)C(=O)Nc1cccc2ccccc12 with a carboxyl.,CC1CN(C(C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccc(C(=O)[OH])cc3)ccc2OC1CN(C)C(=O)Nc1cccc2ccccc12
DelComponent,Remove a CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(C)=O from the molecule amide.,CCOC(=O)c1cscc1-c1ccc2c(c1)CCCC2
LogP,Please modify the molecule O=S(=O)(Cc1ccc(Cl)cc1Cl)NC1CCOC2(CCSC2)C1 to decrease its LogP value.,O=S(=O)(Cc1ccccc1Cl)NC1CCOC2(CCSC2)C1
MR,Please optimize the molecule COc1ccc(C(CC(=O)NCCCn2cnc3ccccc32)NC(C)=O)cc1 to have a lower MR value.,COC(CC(=O)NCCCn1cnc2ccccc21)NC(C)=O
QED,Please modify the molecule CCOC(=O)C1CC([NH3+])Cc2ccc(-c3ccccc3)cc21 to decrease its QED value.,CCOC(=O)C1CC([NH3+])Cc2ccccc21
AtomNum,"The molecule is composed of 38 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",CCN(CC)C(=O)c1ccc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3C)CC2)c(C)c1
BondNum,"There is a molecule with 7 single bonds, 2 rotatable bonds, and 16 aromatic bonds.",COc1ccc2c(c1)nc(N)n2-c1cc(F)c(Br)cc1F
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 amide group, 2 halo groups, and 1 sulfone group.",O=C(Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)c1c(F)cccc1F
AddComponent,Please add a benzene ring to the molecule COc1ccc(C(=O)N2CCC(C)C2CO)cc1O.,COc1ccc(C(=O)N2CC(c3ccccc3)C(C)C2CO)cc1O
SubComponent,Please substitute a C[NH+](C)CCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] in the molecule halo with a aldehyde.,CC(=O)c1cc(NCCC[NH+](C)C)c([N+](=O)[O-])cc1C(F)(F)F
DelComponent,Modify the molecule amide by removing a O=C(NCC(c1ccco1)[NH+]1CCCCC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1.,FC(F)(F)c1nnc2ccc(N3CCC(CC(c4ccco4)[NH+]4CCCCC4)C3)nn12
LogP,Please modify the molecule CCOc1cccc(C=C2SC(=[NH+]C3CCCCC3)NC2=O)c1OC to increase its LogP value.,CCOc1cccc(CSC=[NH+]C2CCCCC2)c1OC
MR,Modify the molecule COc1ccccc1CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)cn1 to increase its MR value.,COc1ccccc1CNC(=O)c1ccc(N2CCN(C(=O)CO)CC2)cn1
QED,Please optimize the molecule OC1CCC2CN(CC(F)F)CC12 to have a lower QED value.,OC(F)CN1CC2CCC(O)C2C1
AtomNum,"There is a molecule composed of 12 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC1CN(OCc2ccccc2)C(=O)NC1=O
BondNum,"The molecule is composed of 9 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(O)C(C)Sc1ccc(CO)cc1F
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 2 amine groups.",C[NH+]=C(NCc1nc(-c2ccc(OC)cc2)n[nH]1)N1CCCC2(CNC(=O)C2)C1
AddComponent,Modify the molecule CC(=O)c1ccc(N(C)CC2CCC2)cc1N by adding a hydroxyl.,CC(=O)c1ccc(N(C)C(O)C2CCC2)cc1N
SubComponent,Modify the molecule Cc1cc(S(=O)(=O)NC(C[NH+](C)C)C(C)C)sc1CO by substituting a hydroxyl with a carboxyl.,Cc1cc(S(=O)(=O)NC(C[NH+](C)C)C(C)C)sc1CC(=O)[OH]
DelComponent,Modify the molecule halo by removing a CCOP(=O)(OCC)C(Nc1ncc(Br)cn1)P(=O)(OCC)OCC.,CCOP(=O)(OCC)C(Nc1ncccn1)P(=O)(OCC)OCC
LogP,Optimize the molecule Cc1ccc(F)cc1CC([NH3+])C1(N(C)C)CCCC1 to have a lower LogP value.,Cc1ccccc1CC([NH3+])C1(N(C)C)CCCC1
MR,Optimize the molecule CC(C)C(C(=O)NCC(F)F)N(C(=O)c1ccccc1)c1ccccc1 to have a lower MR value.,CC(C)C(C(=O)NCCF)N(C(=O)c1ccccc1)c1ccccc1
QED,Optimize the molecule C=C1C(O)CCC1(C)CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)C to have a lower QED value.,C=C1C(C)(CC=C2CCCC3(C)C2CCC3C(C)C=CC(C)C(C)C)CCC1(O)c1ccccc1
AtomNum,"There is a molecule composed of 19 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1ccccc1C(=O)NC(C(=O)N1CCCCC1C)C(C)C
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",Nc1ccc(Cl)c(SCc2ccc(CC(=O)[O-])cc2)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 1 nitro group.",O=C(NCc1ccccc1[N+](=O)[O-])c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
AddComponent,Add a benzene ring to the molecule CC(C(=O)[O-])C(=O)N(C)c1ccc[nH]1.,CC(C(=O)[O-])C(=O)N(C)c1cc(-c2ccccc2)c[nH]1
SubComponent,Please substitute a halo in the molecule Cc1ccc2nc(Cc3ccccc3Br)nn2c1 with a hydroxyl.,Cc1ccc2nc(Cc3ccccc3O)nn2c1
DelComponent,Please remove a amine from the molecule Cc1nn(C)c2ncc(CNc3cn[nH]c3)cc12.,Cc1nn(C)c2ncc(Cc3cn[nH]c3)cc12
LogP,Modify the molecule Cc1c(C)c2c(c(C)c1O)C(N=O)CC(C)(COc1ccc(Cc3sc(=O)[nH]c3[O-])cc1)O2 to increase its LogP value.,Cc1cc(C)c2c(c1C)OC(C)(COc1ccc(Cc3sc(=O)[nH]c3[O-])cc1)CC2N=O
MR,Please optimize the molecule CCC(=O)N1CC[NH+](C(C)C(=O)NC(C)C2CC3CCC2C3)C1 to have a lower MR value.,CCC(=O)N1CC[NH+](C(C)(C)C2CC3CCC2C3)C1
QED,Modify the molecule CCOC(=O)CN(C)C(=O)C[NH+]1CCOC(c2cc(F)c(Cl)cc2Cl)C1 to increase its QED value.,CCOC(=O)CN(C)C(=O)C[NH+]1CCOC(c2cc(C(=O)[OH])c(Cl)cc2Cl)C1
AtomNum,"The molecule consists of 25 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1cccc(N2CC[NH+](CC(=O)NC(C)c3ccc4ccccc4c3)CC2)c1
BondNum,"There is a molecule with 19 single bonds, 2 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C1CCN(C(=O)C[NH+](C)Cc2ccc(OCC)cc2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 ketone group.",Cc1cc(Cc2ccc(=O)[nH]n2)n(C)c1C(=O)c1ccccc1
AddComponent,Add a hydroxyl to the molecule COC(=O)C1C(CO)Cc2cc(OC)c(OC)c(OC)c2C1c1ccc(OCC=C(C)CCC=C(C)C)c(OC)c1.,COC(=O)C1(O)C(CO)Cc2cc(OC)c(OC)c(OC)c2C1c1ccc(OCC=C(C)CCC=C(C)C)c(OC)c1
SubComponent,Please substitute a nitrile in the molecule CC(C)n1c(C(C)(C)S(C)(=O)=O)nc2cc(C#N)ccc21 with a aldehyde.,CC(=O)c1ccc2c(c1)nc(C(C)(C)S(C)(=O)=O)n2C(C)C
DelComponent,Modify the molecule amide by removing a CC(N=[N+]=[N-])C1=C(C(=O)[O-])N2C(=O)CC2S1.,CC(N=[N+]=[N-])C1=C(C(=O)[O-])CS1
LogP,Modify the molecule CCCCCCCCOC(=O)C1(O)CC(O)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1 to have a higher LogP value.,CCCCCCCCOC(=O)C1(O)CC(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1
MR,Optimize the molecule CC(C)(CC[NH3+])[NH2+]CCc1ccc2c(c1)CCC2 to have a higher MR value.,CC(C)(CC[NH3+])[NH2+]C(CC=O)Cc1ccc2c(c1)CCC2
QED,Modify the molecule CC(C)(C)NC(=O)C1N(CCCO)C(=O)C2C(C(=O)NCc3ccccc3)C3OC21CC3Br to have a lower QED value.,CC(C)(C)NC(=O)C1N(CCCS)C(=O)C2C(C(=O)NCc3ccccc3)C3OC21CC3Br
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 3 fluorine atoms.",COc1cc(NC(C)=O)ccc1Nc1ncc(C(F)(F)F)c(NC2Cc3ccccc3C2NC(C)=O)n1
BondNum,"There is a molecule composed of 23 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C=CC(=O)N2CCc3cnc(N4CC[NH+](C5CCC5)CC4)nc3CC2)cc1
FunctionalGroup,"The molecule consists of 1 amine group, and 1 sulfone group.",CS(=O)(=O)N1CCc2cc(OCCCC3CCN(C4=[NH+]N=NC4)CC3)ccc2C1
AddComponent,Add a hydroxyl to the molecule CSc1ccccc1NC(=O)C(=O)NCC(c1ccc2c(c1)CCCN2C)[NH+]1CCCC1.,CSc1ccccc1NC(=O)C(=O)NCC(c1ccc2c(c1)CCCN2C)[NH+]1CCCC1O
SubComponent,Substitute a CCc1ccc([S-])c(C#N)c1CC(=O)OC in the molecule nitrile with a carboxyl.,CCc1ccc([S-])c(C(=O)[OH])c1CC(=O)OC
DelComponent,Modify the molecule amide by removing a COC(C)c1nnc(NC(=O)C[NH+](C)C)s1.,COC(C)c1nnc([NH+](C)C)s1
LogP,Please optimize the molecule Cc1cc(C(=O)N2CCCC([NH3+])C2)c2ccccc2n1 to have a lower LogP value.,Cc1cc(C(=O)N2CCCC([NH3+])C2)c2cccc(CC=O)c2n1
MR,Modify the molecule C=C1CN(c2cc(C(=N)c3cc(OC4(C)CC4)ccc3N)ncn2)CC[NH+]1CCF to have a higher MR value.,C=C1CN(c2cc(C(=N)c3cc(OC4(C)CC4)ccc3N)ncn2)CC[NH+]1CCS
QED,Please optimize the molecule CC(C)C(C(=O)OCn1ccc(Cc2ccc(Cl)cc2)c1)c1ccc(Br)cc1 to have a lower QED value.,CC(C)C(C(=O)OCn1ccc(Cc2ccc(NO)cc2)c1)c1ccc(Br)cc1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",O=C1CC2(CN1)CC(O)c1ccc(Cl)cc12
BondNum,"Please generate a molecule composed of 12 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",CC(C)(CCSCc1ccccc1)C(CO)CO
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 halo group.",CC1(C)O[B-](F)(COc2ccccc2)OC1(C)C
AddComponent,Modify the molecule COC(=O)C(Nc1cccnc1C(N)=S)c1ccccc1 by adding a hydroxyl.,COC(=O)C(Nc1cccnc1C(N)=S)c1cccc(O)c1
SubComponent,Modify the molecule CC1(C(=O)[O-])CC(C(=O)[O-])C(c2ccccc2)N1C(=O)c1ccc(C(F)(F)F)cc1 by substituting a halo with a carboxyl.,CC1(C(=O)[O-])CC(C(=O)[O-])C(c2ccccc2)N1C(=O)c1ccc(C(F)(F)C(=O)[OH])cc1
DelComponent,Please remove a benzene ring from the molecule CCOC(=O)c1ccc(NC(=O)N(CCC(C)C)Cc2nc(C(=O)OC)co2)cc1.,CCOC(=O)NC(=O)N(CCC(C)C)Cc1nc(C(=O)OC)co1
LogP,Optimize the molecule O=C([O-])C1CCC(B(O)O)C([N+](=O)[O-])C1 to have a lower LogP value.,N#CC1CC(C(=O)[O-])CC([N+](=O)[O-])C1B(O)O
MR,Modify the molecule O=C([O-])c1ccc(CN2C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)SC2=[NH+]c2ccccc2)cc1 to have a higher MR value.,O=C([O-])c1ccc(CN2C(=O)C(=Cc3ccc(OC(O)c4cccc(C(=O)[O-])c4)cc3)SC2=[NH+]c2ccccc2)cc1
QED,Please optimize the molecule CC1(C)[NH+]=C(N)[NH+]=C(N)N1c1ccc2c(c1)-c1ccccc1C2=O to have a higher QED value.,CC1(C)[NH+]=C(N)C(N)N1c1ccc2c(c1)-c1ccccc1C2=O
AtomNum,"There is a molecule with 12 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CNc1cc(N2CCOCC2CO)nc(COC)n1
BondNum,"The molecule has 12 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCCCn1c(C2CC2)nc(-c2ccc(C)cc2Br)c1N
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 hydroxyl group, 1 amide group, 1 amine group, and 3 halo groups.",O=C(CNc1ccccc1)NCC(O)c1cccc(C(F)(F)F)c1
AddComponent,Modify the molecule CCC1CC1Nc1nc2c(cc1C#N)CCCC2 by adding a nitrile.,CCC1CC1Nc1nc2c(cc1C#N)CC(C#N)CC2
SubComponent,Modify the molecule hydroxyl by substituting a CCC(CC)(CO)CNc1cc(OC)c(Br)cc1Br with a halo.,CCC(CC)(CBr)CNc1cc(OC)c(Br)cc1Br
DelComponent,Remove a amine from the molecule CCOC(=O)C(C#N)=C1NCC2(CNC(=C(C#N)C(=O)OCC)[NH2+]C2)C[NH2+]1.,CCOC(=O)C(C#N)=C1CC2(CNC(=C(C#N)C(=O)OCC)[NH2+]C2)C[NH2+]1
LogP,Optimize the molecule Cc1occc1CN(C)c1ncnc(N)c1C to have a lower LogP value.,Cc1occc1CN(CO)c1ncnc(N)c1C
MR,Please modify the molecule Cc1nccn1CC(=O)Nc1ccc(-c2ccc(C(=O)NC(C(=O)NO)C(C)O)cc2)cc1 to decrease its MR value.,Cc1nccn1CC(=O)Nc1ccc(C(=O)NC(C(=O)NO)C(C)O)cc1
QED,Please optimize the molecule CNC(=O)c1ccc(CNC(NCc2cc(F)ccc2F)=[NH+]C)cc1 to have a lower QED value.,CNC(=O)c1ccc(CNC(NCc2cc(C(=O)[OH])ccc2F)=[NH+]C)cc1
AtomNum,"The molecule has 16 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CCCOCC(=O)Nc1cc(C)cc(C#CCCO)c1
BondNum,"The molecule has 11 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",CCc1nsc(N2CCN(c3cccc(N)c3)CC2)n1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, 1 sulfide group, and 1 sulfone group.",O=S(=O)(NC1CCN(c2nccs2)C1)c1ccccc1
AddComponent,Add a benzene ring to the molecule Cc1ccc(C)c(Nc2nc(N)nc3sccc23)c1.,Cc1cc(Nc2nc(N)nc3sccc23)c(C)c(-c2ccccc2)c1
SubComponent,Substitute a COc1cc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)C2c2ccc(OCC(C)C)cc2)ccc1OCC(C)C in the molecule hydroxyl with a carboxyl.,COc1cc(C2=C(C(=O)[OH])C(=O)N(c3cccc(N(C)C)c3)C2c2ccc(OCC(C)C)cc2)ccc1OCC(C)C
DelComponent,Please remove a halo from the molecule CC(C)CN(C(C)C)C(C[NH3+])c1cccc(F)c1.,CC(C)CN(C(C)C)C(C[NH3+])c1ccccc1
LogP,Modify the molecule C[NH2+]Cc1cc(Cl)ccc1OCC(O)CO to have a higher LogP value.,OCC(O)COc1ccc(Cl)cc1C[NH2+]Cc1ccccc1
MR,Optimize the molecule CC(C)c1cccc(-c2ccc(NC(=O)C3=C(C(=O)[O-])CCC3)c(F)c2)c1 to have a higher MR value.,CC(C)c1cccc(-c2ccc(NC(=O)C3=C(C(=O)[O-])CCC3)c(C#N)c2)c1
QED,Please modify the molecule CC[NH2+]C(Cc1cnn(C)c1)c1cccc(C)c1Br to decrease its QED value.,CC[NH2+]C(Cc1cnn(C)c1)c1cccc(C)c1C(=O)[OH]
AtomNum,"There is a molecule composed of 19 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CCOc1ccccc1Nc1nnc(SCN2C(=O)c3ccccc3C2=O)s1
BondNum,"The molecule has 10 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",Cc1cc(Br)c(C(=O)c2cc3c(s2)CCSC3)cc1Br
FunctionalGroup,"The molecule has 1 benzene ring group, and 2 halo groups.",O=C(NCC1(C2=CC=C(c3cccnc3)CC2)CC[NH2+]CC1)Nc1cc(Cl)cc(Cl)c1
AddComponent,Modify the molecule NC(=O)c1ccccc1NCC(=O)N1CCCCC1CCC(=O)[O-] by adding a carboxyl.,NC(=O)c1ccccc1NCC(=O)N1C(CCC(=O)[O-])CCCC1C(=O)O
SubComponent,Please substitute a halo in the molecule Cn1ccc2c(C(=O)NCC3CCCCN3C(=O)c3nc(C4CC4)sc3-c3ccccc3F)cccc21 with a carboxyl.,Cn1ccc2c(C(=O)NCC3CCCCN3C(=O)c3nc(C4CC4)sc3-c3ccccc3C(=O)[OH])cccc21
DelComponent,Remove a benzene ring from the molecule CNc1ncc(C[NH+]2CCC(c3cc(=O)nc(-c4cccc(C)c4)[nH]3)CC2)cn1.,CNc1ncc(C[NH+]2CCC(c3cc(=O)nc(C)[nH]3)CC2)cn1
LogP,Optimize the molecule C[NH2+]CC1(C([NH2+]C)c2ccc(Cl)s2)CC1 to have a lower LogP value.,C[NH2+]CC1(C([NH2+]C)c2ccc(S)s2)CC1
MR,Modify the molecule CCC[NH+]1CCC(Nc2ncccc2C)CC1 to have a higher MR value.,CCC[NH+]1CCC(Nc2ncccc2C)(c2ccccc2)CC1
QED,Please modify the molecule CC[NH2+]C(c1ccnnc1)c1cccc(OC(F)(F)F)c1 to decrease its QED value.,CC[NH2+]C(c1cccc(OC(F)(F)F)c1)c1ccnnc1O
AtomNum,"The molecule has 15 carbon atoms, and 3 nitrogen atoms.",CCCN(C)c1nc2ccccc2cc1CC[NH3+]
BondNum,"There is a molecule consisting of 15 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",CCON=Cc1ccc(OC(c2ccc(Cl)nn2)C2CC[NH2+]CC2)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 halo groups.",CN1CCC([NH3+])C1c1cc(Cl)cc(Cl)c1
AddComponent,Add a aldehyde to the molecule N#Cc1cn2c3c(c(NCCCc4ccccn4)c(F)c(N)c3c1=O)OCC21CC1.,N#Cc1cn2c3c(c(NCCCc4ccccn4)c(F)c(N)c3c1=O)OCC21CC1CC=O
SubComponent,Please substitute a hydroxyl in the molecule COCc1ccccc1C(O)c1cncc(OC(C)C)c1 with a aldehyde.,CC(=O)C(c1cncc(OC(C)C)c1)c1ccccc1COC
DelComponent,Please remove a benzene ring from the molecule CSC#Cc1ccc(OCc2cc(COc3ccc(C#CSC)cc3)cc(COc3ccc(C#CSC)cc3)c2)cc1.,CSC#COCc1cc(COc2ccc(C#CSC)cc2)cc(COc2ccc(C#CSC)cc2)c1
LogP,Modify the molecule CC(=O)C1CC[NH+](C(C)C(C)O)CC1 to increase its LogP value.,CC(=O)C1CC[NH+](C(C)C(C)C(=O)[OH])CC1
MR,Modify the molecule CCC1CCN(c2cnnc(Cl)c2)CC1 to increase its MR value.,CCC1CCN(c2cnnc(NO)c2)CC1
QED,Please optimize the molecule CCC(C(=O)NCc1ccc(C#N)cc1)N(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C to have a higher QED value.,CCC(C(=O)NCC#N)N(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C
AtomNum,"The molecule contains 20 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)C)cc1Br
BondNum,"There is a molecule with 15 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCOc1ccc(NC2CC(C)(C)CC2C)cc1CO
FunctionalGroup,Please generate a molecule with and 2 halo groups.,FC1(F)CCc2ccc([As])cc2CC1
AddComponent,Modify the molecule CC(C)c1nc(CCNC(=O)COc2ccccc2)cs1 by adding a benzene ring.,CC(C)c1nc(CC(NC(=O)COc2ccccc2)c2ccccc2)cs1
SubComponent,Please substitute a Nc1ncccc1-c1n[nH]nc2ncc(Nc3ccc(O)cc3)c1-2 in the molecule hydroxyl with a halo.,Nc1ncccc1-c1n[nH]nc2ncc(Nc3ccc(F)cc3)c1-2
DelComponent,Please remove a COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nc(-c2ccccc2OC)ccc1=O from the molecule benzene ring.,COc1ccccc1-c1ccc(=O)n(CC(=O)N(OC)[N+](=O)[O-])n1
LogP,Please optimize the molecule CC[NH+]1CCCC(NC(C)CS(C)(=O)=O)C1 to have a lower LogP value.,CC[NH+]1CCCC(NC(CN)CS(C)(=O)=O)C1
MR,Modify the molecule CCC(C)C(=O)NCCC#N to decrease its MR value.,CCC(C)C(=O)NCCNO
QED,Please modify the molecule COc1cc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCCCC4)ccc3Cl)CC2)C(C)C)ccc1NC(=O)c1ccc(F)cc1 to increase its QED value.,COc1cc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)CC2)C(C)C)ccc1NC(=O)c1ccc(F)cc1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1cn(CCCC[NH2+]C(C)(C)C)c(=O)[nH]c1=O
BondNum,"Please generate a molecule composed of 13 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCNC(=O)c1ccc(CNC(=O)C2CC2C(=O)[O-])cc1
FunctionalGroup,The molecule is composed of and 1 amide group.,CC(C)C(CNC(=O)c1cccc2cccnc12)C(=O)[O-]
AddComponent,Modify the molecule C[N+](C(=O)Cc1ccccc1)(C1CCN(c2cc[nH+]cc2)CC1)C1CCc2ccc(OC(=O)[O-])cc21 by adding a hydroxyl.,C[N+](C(=O)Cc1ccccc1)(C1CCc2ccc(OC(=O)[O-])cc21)C1CCN(c2cc[nH+]cc2)CC1O
SubComponent,Substitute a O=C([O-])c1cc2cc(O)cc(Br)c2o1 in the molecule hydroxyl with a thiol.,O=C([O-])c1cc2cc(S)cc(Br)c2o1
DelComponent,Remove a halo from the molecule CC[NH2+]C(C)CC(=O)OCc1ccccc1F.,CC[NH2+]C(C)CC(=O)OCc1ccccc1
LogP,Please modify the molecule C=C(C[NH2+]C(C)C)CSc1ccc(Cl)cn1 to decrease its LogP value.,C=C(C[NH2+]C(C)C)CSc1ccccn1
MR,Please modify the molecule COc1ccc(-c2cc(N)ccc2O)cc1 to increase its MR value.,COc1ccc(-c2cc(N)ccc2C(=O)[OH])cc1
QED,Modify the molecule O=C(NCCc1ccc(F)cc1)c1ccnc(C(=O)NCCC2=CCCCC2)c1 to have a lower QED value.,ONc1ccc(CCNC(=O)c2ccnc(C(=O)NCCC3=CCCCC3)c2)cc1
AtomNum,"There is a molecule consisting of 24 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",COc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)C2c2ccc([O-])c([N+](=O)[O-])c2)c1OC
BondNum,"Please generate a molecule consisting 12 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cc1ncsc1C[NH2+]CC1CC[NH+](C)C1c1cccnc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",CC(C1CC1)N(C)C(=O)c1cccc(C=CC(=O)[O-])c1
AddComponent,Please add a hydroxyl to the molecule CCC1CC1N1CC(C)(CC)[NH2+]CC1C.,CCC1CC1N1C(C)C[NH2+]C(C)(CC)C1O
SubComponent,Please substitute a N#Cc1ccc(F)cc1CNCC(F)F in the molecule nitrile with a aldehyde.,CC(=O)c1ccc(F)cc1CNCC(F)F
DelComponent,Modify the molecule halo by removing a Cc1c(N2CCC(C(C)[NH3+])C2)c(F)cc2c(C(=O)[O-])cc(=O)n(C3CC3)c12.,Cc1c(N2CCC(C(C)[NH3+])C2)ccc2c(C(=O)[O-])cc(=O)n(C3CC3)c12
LogP,Modify the molecule CCC[NH2+]C(C)C(C)(C)CN1CC[NH+](C(C)CC)CC1 to have a lower LogP value.,CCC[NH2+]C(C)C(C)(C)CN1CC[NH+](C(C)CCO)CC1
MR,Please optimize the molecule [NH3+]CC(O)COc1ccccc1Br to have a lower MR value.,[NH3+]CCCOc1ccccc1Br
QED,Please optimize the molecule COC(=O)c1ccc(Br)c2[nH]c3c(c(=O)c12)CCCCCC3 to have a lower QED value.,COC(=O)c1ccc(Br)c2[nH]c3c(c(=O)c12)CCCC(N)CC3
AtomNum,"There is a molecule with 17 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC(C)Cc1c(C(=O)C2CC[NH2+]CC2)ccnc1OCC(N)=O
BondNum,"The molecule contains 12 single bonds, 1 double bond, and 9 rotatable bonds.",CSCC(C)[NH2+]CCCCCC(=O)[O-]
FunctionalGroup,"The molecule contains 2 amide groups, 3 halo groups, 2 thioether groups, and 4 sulfide groups.",O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)[O-])=C(C=CSc3cc(=O)c4ccc(C(F)(F)F)cc4s3)CSC12
AddComponent,Modify the molecule COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1OC by adding a hydroxyl.,COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)c(O)c1OC
SubComponent,Substitute a NC(=O)C1CCC[NH+](Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)C1 in the molecule halo with a nitro.,NC(=O)C1CCC[NH+](Cc2nc3scc(-c4ccc(NO)cc4)c3c(=O)[nH]2)C1
DelComponent,Remove a hydroxyl from the molecule CC(C)CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C.,CC(C)CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])OCCCOP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C
LogP,Modify the molecule O=C([O-])Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1 to have a lower LogP value.,O=CCc1cc(Cl)ccc1-n1nc(C(=O)Nc2ccc(CC(=O)[O-])cc2)nc1-c1ccccc1
MR,Modify the molecule N#Cc1cc(-c2ccccc2)ncc1N to increase its MR value.,Nc1cnc(-c2ccccc2)cc1S
QED,Modify the molecule O=C1OC(C(Cl)(Cl)Cl)C2(CC2)C(=O)C12CC2 to increase its QED value.,N#CC(Cl)(Cl)C1OC(=O)C2(CC2)C(=O)C12CC2
AtomNum,"The molecule contains 15 carbon atoms, and 3 oxygen atoms.",C=CCC(C(=O)OCCC(C)O)c1ccccc1
BondNum,"Please generate a molecule composed of 10 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cc1ncsc1C(C)Nc1cc(C(F)(F)F)ccc1Br
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 amine groups.",COCNC(=S)Nc1ccc2ncc(-c3cnn(Cc4ccc(OC)c(OC)c4)c3)nc2n1
AddComponent,Modify the molecule COC(=O)C1([NH2+]C(C)C)CCC(Sc2cc(C)nn2C)C1 by adding a nitrile.,COC(=O)C1([NH2+]C(C)CC#N)CCC(Sc2cc(C)nn2C)C1
SubComponent,Modify the molecule halo by substituting a CC1CCSC(=[NH+]CCC(F)F)N1 with a carboxyl.,CC1CCSC(=[NH+]CCC(F)C(=O)[OH])N1
DelComponent,Remove a benzene ring from the molecule O=C(NCc1ccccc1C[NH+]1CCOCC1)C1CC[NH+](Cc2nc(-c3cccs3)no2)CC1.,O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2nc(-c3cccs3)no2)CC1
LogP,Optimize the molecule CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCO to have a higher LogP value.,CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)NCC
MR,Modify the molecule O=S(=O)(NC1CCCCCC1)c1ccc(CCO)s1 to have a lower MR value.,CCc1ccc(S(=O)(=O)NC2CCCCCC2)s1
QED,Optimize the molecule FC(Cl)=Cc1cccc2ccccc12 to have a lower QED value.,FC=Cc1cccc2ccccc12
AtomNum,"The molecule is composed of 32 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",Cc1ccc(OCc2nnc(SCC(=O)Nc3ncc(Cc4cccc5ccccc45)s3)n2-c2ccccc2)cc1
BondNum,"The molecule contains 10 single bonds, 7 rotatable bonds, and 16 aromatic bonds.",COc1ccccc1-c1noc(C[NH2+]C(C)C(C)n2cccn2)n1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 1 sulfide group, and 1 sulfone group.",COc1ccc(C)cc1NC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1
AddComponent,Add a aldehyde to the molecule CCNC(=[NH+]CCOCCC(C)C)N1CCC(CC(=O)NC)CC1.,CCNC(=[NH+]C(CC=O)COCCC(C)C)N1CCC(CC(=O)NC)CC1
SubComponent,Modify the molecule halo by substituting a O=C(NCC(O)c1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)CCc2ccccc2)CC1 with a hydroxyl.,O=C(NCC(O)c1ccc(OC(O)(F)F)cc1)C1CCN(C(=O)CCc2ccccc2)CC1
DelComponent,Remove a amine from the molecule C[NH+]=C(NCC(C)C[NH+]1CCOCC1)N(C)CCc1ccc(OC)c(OC)c1.,COc1ccc(CCN(C)C(C)NCC(C)C[NH+]2CCOCC2)cc1OC
LogP,Please modify the molecule O=C(NC(Cc1ccccc1)C(=O)[O-])c1cccc2c1C(=O)N(c1ccccc1)C2 to decrease its LogP value.,O=C([O-])C(Cc1ccccc1)NC(=O)c1(-c2ccccc2)ccccC1
MR,Modify the molecule CC(=O)CCc1ccc(OCC2CCC(C)(C)O2)cc1 to have a lower MR value.,CC(=O)CCOCC1CCC(C)(C)O1
QED,Modify the molecule O=C(C1=C(O)C(=O)N(c2ccccc2)C1c1ccc(F)cc1)c1cc2cc(Br)ccc2o1 to decrease its QED value.,O=C(C1=CC(=O)N(c2ccccc2)C1c1ccc(F)cc1)c1cc2cc(Br)ccc2o1
AtomNum,"There is a molecule composed of 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(C)Cc1cccc(C(NN)C(C)S(C)(=O)=O)c1
BondNum,"The molecule consists of 8 single bonds, 1 double bond, 5 rotatable bonds, and 23 aromatic bonds.",COc1ccc(C)cc1Nc1cc(C(=O)Nc2cccc3cccnc23)ncn1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 halo group, and 1 sulfide group.",COc1ccc(Cl)cc1C(c1cc2ccccc2s1)N1CC[NH2+]CC1
AddComponent,Please add a amine to the molecule CC(C)c1cc(NC(=O)C2CC3CCC2C3)n[nH]1.,CC(C)c1cc(NC(=O)C2C3CCC(C3)C2N)n[nH]1
SubComponent,Modify the molecule COCCCOC(=O)c1cc(F)c(Br)cc1[N+](=O)[O-] by substituting a halo with a nitrile.,COCCCOC(=O)c1cc(C#N)c(Br)cc1[N+](=O)[O-]
DelComponent,Please remove a Cc1cc(C)nc(OC2CCCN(C(=O)Cc3noc4ccccc34)C2)n1 from the molecule amide.,Cc1cc(C)nc(OC2CCCC2c2noc3ccccc23)n1
LogP,Modify the molecule CCOC(C[NH3+])Cc1nc2c(F)c(F)ccc2[nH]1 to increase its LogP value.,CC(=O)c1c(F)ccc2[nH]c(CC(C[NH3+])OCC)nc12
MR,Modify the molecule CC(C)[Si]1(C(C)C)OCc2cc(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc(-c3ccc(Oc4ccccc4)cc3)c21 to decrease its MR value.,CC(C)[Si]1(C(C)C)OCc2cc(-c3ccc(-c4ccc(Cl)cc4)o3)nc(-c3ccc(Oc4ccccc4)cc3)c21
QED,Optimize the molecule CC(O)(CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)C(=O)[O-] to have a higher QED value.,CC(CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)C(=O)[O-]
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",C=CCOc1ccc(CNc2ccc(Br)cc2)cc1OCC
BondNum,"Please generate a molecule composed of 11 single bonds, 3 double bonds, 8 rotatable bonds, and 10 aromatic bonds.",CCC(C(=N)C(=O)NCCCn1ccnc1)=C(C)c1ccco1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 halo groups.",CC[NH2+]C(CC(CC)CC)c1ccc(F)cc1I
AddComponent,Modify the molecule CC(C)Oc1ccccc1C1C[NH2+]CCC1C by adding a benzene ring.,CC(C)Oc1ccccc1C1(c2ccccc2)C[NH2+]CCC1C
SubComponent,Substitute a hydroxyl in the molecule OCc1ncccc1C1CC[NH2+]1 with a nitrile.,N#CCc1ncccc1C1CC[NH2+]1
DelComponent,Modify the molecule benzene ring by removing a CCCC(C)C([NH3+])c1ccccc1OC(F)F.,CCCC(C)C([NH3+])OC(F)F
LogP,Please modify the molecule CCC(C)(COCCCCCC#N)C(=O)OC to increase its LogP value.,CCC(C)(COCC(CCCC#N)c1ccccc1)C(=O)OC
MR,Modify the molecule CC(Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1F to have a higher MR value.,CC(Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1
QED,Please modify the molecule Cc1cc(Cl)ccc1NCCOc1ccc(Cl)cc1 to increase its QED value.,Cc1ccccc1NCCOc1ccc(Cl)cc1
AtomNum,"Please generate a molecule composed of 25 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(-c2ccc(CCC(=O)Nc3ccc(C(=O)N4CCCC4)cc3)o2)cc1
BondNum,"The molecule contains 13 single bonds, 4 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CN(C(=O)c1cccc(C(=O)Nc2ccccc2F)n1)C1CCS(=O)(=O)C1
FunctionalGroup,"There is a molecule with 1 amide group, and 1 sulfide group.",COc1ccsc1C(=O)N1CCCCC1c1nc(=O)[nH][nH]1
AddComponent,Add a carboxyl to the molecule CC(C[NH3+])=NNC(=O)Cc1ccccc1.,CC(C[NH3+])=NNC(=O)Cc1ccccc1C(=O)O
SubComponent,Modify the molecule halo by substituting a OC1CCCCC1[NH2+]Cc1c[nH+]c2ccc(Br)cn12 with a carboxyl.,O=C([OH])c1ccc2[nH+]cc(C[NH2+]C3CCCCC3O)n2c1
DelComponent,Remove a CCCCCOc1ccc(-c2ccc(C(=O)NC3CC(O)C(O)NC(=O)C4C(O)C(C)CN4C(=O)C(C(C)O)NC(=O)C(C(O)C(O)c4ccc(O)cc4)NC(=O)C4CC(O)CN4C(=O)C(C(C)O)NC3=O)cc2)cc1 from the molecule benzene ring.,CCCCCOc1ccc(-c2ccc(C(=O)NC3CC(O)C(O)NC(=O)C4C(O)C(C)CN4C(=O)C(C(C)O)NC(=O)C(C(O)C(O)O)NC(=O)C4CC(O)CN4C(=O)C(C(C)O)NC3=O)cc2)cc1
LogP,Please modify the molecule CCNC(=O)CC[NH2+]C1CCCc2[nH]c(=O)ccc21 to increase its LogP value.,CCC[NH2+]C1CCCc2[nH]c(=O)ccc21
MR,Please modify the molecule CSC1CCC(Nc2nc(C)cc(C#N)n2)C1 to decrease its MR value.,CSC1CCC(Nc2nc(C)cc(F)n2)C1
QED,Please optimize the molecule Oc1c(O)c2c3ccccc3ccc2c2ccccc12 to have a higher QED value.,Oc1cc2ccccc2c2ccc3ccccc3c12
AtomNum,"Please generate a molecule with 25 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 sulfur atom.",CSc1nc2nc(C)c(CC(=O)N(CCc3ccccc3)Cc3ccccc3)c(C)n2n1
BondNum,"Please generate a molecule composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",CCN(CC)C(=O)C[n+]1csc2ccccc21
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 ester group, 2 amide groups, 1 nitro group, and 1 halo group.",CCCOc1c(Cl)cc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC
AddComponent,Add a hydroxyl to the molecule COC1(C)OCC(C)(C)[NH+]1CC=C(C)C.,COC1(C)OCC(C)(C)[NH+]1C(O)C=C(C)C
SubComponent,Please substitute a halo in the molecule CC(C)OCC(=O)CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1 with a nitrile.,CC(C)OCC(=O)CC1c2ccccc2C(=O)N1c1ccc2ccc(C#N)nc2n1
DelComponent,Modify the molecule FC(F)(F)c1cccc2c(-c3ccccn3)n(Cc3ccc(Cl)cc3)nc12 by removing a benzene ring.,FC(F)(F)c1cccc2c(-c3ccccn3)n(CCl)nc12
LogP,Please modify the molecule COc1cc2c(cc1OC)C(=O)N(CCOC1C(=O)SC(=O)N1Cc1ccccc1)CO2 to decrease its LogP value.,COc1cc2c(cc1OC)C(=O)N(CCOC1C(=O)SC(=O)N1C)CO2
MR,Please modify the molecule CC([NH2+]Cc1ccccc1C[NH+](C)C)C(C)(C)O to decrease its MR value.,CC(C)C(C)[NH2+]Cc1ccccc1C[NH+](C)C
QED,Please optimize the molecule CCCC1(C(=O)NC2CCc3nnnn3CC2)CC1 to have a lower QED value.,CCC1CC1C1CCc2nnnn2CC1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 3 sulfur atoms.",Cc1ccc(S(=O)(=O)Nc2ccc(OCC(N)=S)cc2)s1
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCCCN1C(=O)C[NH2+]C1c1ccccc1C(F)(F)F
FunctionalGroup,The molecule consists of and 2 halo groups.,CCC(C)C([NH2+]C)C1CCC(F)(F)CC1
AddComponent,Please add a benzene ring to the molecule CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OC(C)=O)c([N+](=O)[O-])c1.,CCOc1cc(C=Nn2c(CC(C)c3ccccc3)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OC(C)=O
SubComponent,Substitute a halo in the molecule CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc4cn[nH]c4c3)C2c2ccc(O)c(Br)c2)c1 with a carboxyl.,CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc4cn[nH]c4c3)C2c2ccc(O)c(C(=O)[OH])c2)c1
DelComponent,Please remove a hydroxyl from the molecule COC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(=O)C12C.,COC(=O)CCC(C)C1CCC2C3C(O)CC4CCCCC4(C)C3CC(=O)C12C
LogP,Modify the molecule CCNC(NCCCc1nnc(SC)n1C1CCCC1)=[NH+]Cc1ccccc1CC to have a lower LogP value.,CCNC(NCCCc1nnc(SC)n1C1CCC(O)C1)=[NH+]Cc1ccccc1CC
MR,Optimize the molecule COc1cccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3C)C2c2ccco2)c1 to have a higher MR value.,COc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)[OH])cc3C)C2c2ccco2)c1
QED,Please modify the molecule CCN(CCC[NH+](CC)CC)c1cccc(C(=O)[O-])n1 to decrease its QED value.,CCN(CCC(O)[NH+](CC)CC)c1cccc(C(=O)[O-])n1
AtomNum,"The molecule has 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1csc(CNC(=O)Cc2ccc(Cl)cc2)n1
BondNum,"There is a molecule composed of 16 single bonds, 4 double bonds, 7 rotatable bonds, and 24 aromatic bonds.",COc1cc(C(=O)OCc2ccccc2)ccc1S(=O)(=O)N1C(=O)C([NH3+])(c2ccccc2Cl)c2cc(Cl)ccc21
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, and 2 halo groups.",COc1cccc(C(CCc2c(Cl)cccc2Cl)=C(C)[NH2+]CCc2ccccc2)c1
AddComponent,Add a hydroxyl to the molecule CC(C)NC(=O)CNC(=O)c1sc(NC2CCC2)nc1N.,CC(C)NC(=O)C(O)NC(=O)c1sc(NC2CCC2)nc1N
SubComponent,Substitute a CN(C(=O)c1ccc(I)c(O)c1)c1ccncc1 in the molecule hydroxyl with a carboxyl.,CN(C(=O)c1ccc(I)c(C(=O)[OH])c1)c1ccncc1
DelComponent,Please remove a CCCC(=O)Nc1cccc(NCCc2ccc(C)cc2)c1C from the molecule amide.,CCc1cccc(NCCc2ccc(C)cc2)c1C
LogP,Please modify the molecule CC(=O)Nc1ccc(C)cc1S(=O)(=O)Cl to decrease its LogP value.,CC(=O)Nc1ccc(C)cc1S(=O)(=O)C(=O)[OH]
MR,Optimize the molecule COC(=O)c1nnn2c1NCCC2c1cnn(C)c1 to have a lower MR value.,COC(=O)c1nnn2c1CCC2c1cnn(C)c1
QED,Please modify the molecule Cc1[nH]c(C2(C#N)CC2)nc1-c1ccco1 to increase its QED value.,Cc1[nH]c(C2(C(=O)[OH])CC2)nc1-c1ccco1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",COCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC12CC2
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC(=O)CN(C)c1ccc(C2CC[NH+](C)CC2)nn1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 3 halo groups.",COCC1(CNC(=O)c2cc(F)c(Cl)cc2F)CCC[NH2+]1
AddComponent,Add a benzene ring to the molecule OC1CCCC1CCOc1cccc(Br)c1.,OC1(c2ccccc2)CCCC1CCOc1cccc(Br)c1
SubComponent,Modify the molecule nitrile by substituting a N#Cc1cc(-c2n[nH]c3c2CCc2ccccc2-3)ccn1 with a hydroxyl.,Oc1cc(-c2n[nH]c3c2CCc2ccccc2-3)ccn1
DelComponent,Remove a hydroxyl from the molecule Nc1ncnc2c1nc(Nc1ccc3c4c(cccc14)C(=O)c1ccccc1-3)n2C1CC(O)C(CO)O1.,Nc1ncnc2c1nc(Nc1ccc3c4c(cccc14)C(=O)c1ccccc1-3)n2C1CCC(CO)O1
LogP,Modify the molecule O=C(NC1CCC(C(F)F)CC1)N1CCC(n2cc(Cl)cn2)C1 to decrease its LogP value.,O=C(NC1CCC(C(F)F)CC1)N1CCC(n2cccn2)C1
MR,Optimize the molecule CN1CC[NH+](CCc2ccc(NC(=O)C3CC3c3ccc(Cl)c(Cl)c3)cc2)CC1 to have a higher MR value.,CN1CC[NH+](CCc2ccc(NC(=O)C3CC3c3ccc(S)c(Cl)c3)cc2)CC1
QED,Modify the molecule CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c1 to increase its QED value.,CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1
AtomNum,"The molecule has 36 carbon atoms, and 4 nitrogen atoms.",[C-]#[N+]c1cc2cc(-n3c4ccccc4c4ccccc43)c(C#N)cc2cc1-n1c2ccccc2c2ccccc21
BondNum,"There is a molecule consisting of 20 single bonds, 2 double bonds, and 4 rotatable bonds.",CCC1(CC)NC(=O)C(C)N(CC2(C)CCOCC2)C1=O
FunctionalGroup,"Please generate a molecule consisting 1 amide group, 1 amine group, and 3 halo groups.",CCN(CC(C)C(N)=S)C(=O)C1CCC(C(F)(F)F)CC1
AddComponent,Add a benzene ring to the molecule O=C(C[NH+]1CCN(c2ncccc2Cl)CC1)N1CCCc2ccccc21.,O=C(C[NH+]1CCN(c2ncccc2Cl)CC1)N1CCCc2cc(-c3ccccc3)ccc21
SubComponent,Substitute a hydroxyl in the molecule COc1cc(-c2cc(-c3ccco3)nc(-c3ccco3)c2)ccc1O with a halo.,COc1cc(-c2cc(-c3ccco3)nc(-c3ccco3)c2)ccc1I
DelComponent,Please remove a hydroxyl from the molecule Cc1nc(COc2ccc3ccc(O)cc3c2)no1.,Cc1nc(COc2ccc3ccccc3c2)no1
LogP,Modify the molecule CCCOc1ccc(Cl)cc1C[NH2+]CCCOC(C)C to have a lower LogP value.,CCCOC(Cl)[NH2+]CCCOC(C)C
MR,Optimize the molecule C[NH+](C)CCC1(c2ccccc2C(N)=O)CCC1 to have a lower MR value.,C[NH+](C)CCC1(C(N)=O)CCC1
QED,Modify the molecule CCCCCCCCOc1cnc(-c2ccc(-c3ccc(CCOCCC)cc3)cc2)nc1 to have a higher QED value.,CCCCCCCCOc1cnc(-c2ccc(CCOCCC)cc2)nc1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, and 6 oxygen atoms.",C=CC(=O)OC(CO)COC(=O)C12CC3(C)CC(C)(CC(O)(C3)C1)C2
BondNum,"The molecule is composed of 11 single bonds, 2 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",CCOC1=CC(=O)C(c2ccccc2)C(c2ccccc2)C1c1ccccc1
FunctionalGroup,The molecule consists of and 1 halo group.,CCCc1nc(=O)c2c([nH]1)CC[NH+](Cc1cncc(Br)c1)C2
AddComponent,Add a benzene ring to the molecule CCC(CCBr)CNC(=O)c1cnn2ccccc12.,CCC(CCBr)CNC(=O)c1c(-c2ccccc2)nn2ccccc12
SubComponent,Substitute a halo in the molecule CCCn1cnnc1C1CCC(C(F)(F)F)CC1 with a hydroxyl.,CCCn1cnnc1C1CCC(C(O)(F)F)CC1
DelComponent,Remove a amine from the molecule Cc1ccc2nc(-c3ccc(NC(=S)NC4CCCCCCCCCCC4)cc3)sc2c1.,Cc1ccc2nc(-c3ccc(C(=S)NC4CCCCCCCCCCC4)cc3)sc2c1
LogP,Modify the molecule CCC1(c2cccs2)OCC(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21 to have a lower LogP value.,CCC1(c2cccs2)OCC(=O)Nc2ccc(-c3cc(F)cc(NO)c3)cc21
MR,Optimize the molecule C[NH2+]CCc1nc2ccccc2n1CCCOc1ccc(OC)cc1 to have a higher MR value.,C[NH2+]CCc1nc2ccccc2n1CCCOc1ccc(OC)c(-c2ccccc2)c1
QED,Please optimize the molecule OC(C[NH2+]CC1CCCC1)c1cccc(OC(F)F)c1 to have a lower QED value.,N#CC(F)Oc1cccc(C(O)C[NH2+]CC2CCCC2)c1
AtomNum,"The molecule has 3 carbon atoms, 2 oxygen atoms, and 1 bromine atom.",COC(C)OBr
BondNum,"Please generate a molecule composed of 20 single bonds, 4 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCC(C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 sulfone group.",O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccoc1
AddComponent,Please add a benzene ring to the molecule CC(C)NC(=O)C1CC1C1CC1.,CC(C)(NC(=O)C1CC1C1CC1)c1ccccc1
SubComponent,Modify the molecule C[NH+](CCC(=O)[O-])Cc1nc(-c2cccc(Br)c2)no1 by substituting a halo with a carboxyl.,C[NH+](CCC(=O)[O-])Cc1nc(-c2cccc(C(=O)[OH])c2)no1
DelComponent,Remove a amide from the molecule NC(=O)CCNC(=O)c1cncs1.,CNC(=O)c1cncs1
LogP,Optimize the molecule COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)C4CCOCC4)n3)c2C)cc1 to have a higher LogP value.,COC(=O)c1ccc(-n2c(C)cc(-c3csc(C4CCOC4)n3)c2C)cc1
MR,Please modify the molecule O=C([O-])c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(=O)[nH]cc1Br to increase its MR value.,O=C([O-])c1c(-c2ccc[nH]c2=O)c2c3occc3c(S)cc2n1Cc1cc(=O)[nH]cc1Br
QED,Please modify the molecule COC(=O)C(=O)C1Cc2c(F)cccc2C1=O to decrease its QED value.,COC(=O)C(=O)C1Cc2ccccc2C1=O
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",COc1cccc(-c2ccc(=O)n(C3COCC3NC(=O)c3cc(C)nn3C)n2)c1
BondNum,"The molecule contains 6 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",C=CCCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1
FunctionalGroup,Please generate a molecule consisting and 1 hydroxyl group.,CC(C)[NH+](C)CC1(O)CC[NH2+]CC1
AddComponent,Add a aldehyde to the molecule COC(=O)CC1CCCCN1OC(=O)c1ccccc1.,COC(=O)C(CC=O)C1CCCCN1OC(=O)c1ccccc1
SubComponent,Modify the molecule halo by substituting a CC1(C)CCCC1C(=O)NCCCCI with a hydroxyl.,CC1(C)CCCC1C(=O)NCCCCO
DelComponent,Modify the molecule halo by removing a COCC(C)(C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1.,COCC(C)(C)NC(=O)Nc1cccc(C(=O)[O-])c1
LogP,Modify the molecule Fc1cc(C[NH2+]Cc2cn[nH]c2)cc(C(F)(F)F)c1 to have a lower LogP value.,Fc1cc(C[NH2+]Cc2cn[nH]c2)cc(C(F)F)c1
MR,Please optimize the molecule COc1cccc(C(O)CNC(=O)c2cc(C)c(C)cc2Cl)c1 to have a lower MR value.,COc1cccc(C(O)CNC(=O)c2ccc(C)c(C)c2)c1
QED,Modify the molecule C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3[nH]c(CO)cc3c2)nc1 to have a higher QED value.,Cc1cc2cc(Oc3ccc(-c4ccnn4COCC[Si](C)(C)C)cn3)ccc2[nH]1
AtomNum,"Please generate a molecule with 41 carbon atoms, 10 oxygen atoms, and 3 nitrogen atoms.",CCC1OC(=O)C(C)C(=O)C(C)C(OC2CC(O)C([NH+](C)C)C(C)O2)C(C)(OCC=Cc2cnc3ccccc3c2)CC(C)C(=NO)C(C)C(O)C1(C)O
BondNum,"There is a molecule consisting of 13 single bonds, 1 double bond, 7 rotatable bonds, and 16 aromatic bonds.",CCCC(C)n1c(CC)nc2c(-c3ccc(C(C)=NOC)cc3Cl)ccnc21
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 1 ester group, 1 amide group, 1 halo group, 1 thioether group, and 1 sulfide group.",CCOC(=O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(SC)cc3)cc2)c(Cl)c1
AddComponent,Add a benzene ring to the molecule O=C(NCc1ccncc1)NC(CO)Cc1ccccc1.,O=C(NCc1ccncc1)NC(CO)(Cc1ccccc1)c1ccccc1
SubComponent,Substitute a halo in the molecule [NH3+]CCc1cc(OCc2ccc(Cl)cc2Cl)ccc1Br with a hydroxyl.,[NH3+]CCc1cc(OCc2ccc(O)cc2Cl)ccc1Br
DelComponent,Modify the molecule CCOC(=O)Cn1c(=NC(=O)c2ccc(Cl)cc2)sc2cc(C)c(C)cc21 by removing a benzene ring.,CCOC(=O)Cn1c(=NC(=O)Cl)sc2cc(C)c(C)cc21
LogP,Please optimize the molecule CCC(C)C(=O)N(C)Cc1cc(C#CC[NH3+])cs1 to have a lower LogP value.,CC(CCN)C(=O)N(C)Cc1cc(C#CC[NH3+])cs1
MR,Please modify the molecule CS(=O)(=O)CC(=O)NCc1ccccc1Br to decrease its MR value.,CS(=O)(=O)CC(=O)NCc1ccccc1
QED,Please modify the molecule Cc1ccc(NC(=O)c2cc(Br)cnc2Cl)cc1O to increase its QED value.,Cc1ccc(NC(=O)c2cccnc2Cl)cc1O
AtomNum,"The molecule is composed of 6 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 bromine atom.",CN1C(=O)C(Br)C1(C)C
BondNum,"The molecule has 14 single bonds, 3 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",C=C(c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(c1ccc(N(C)C)cn1)=CCC2(C)C
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, and 1 sulfone group.",CC1CN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)CC1C(=O)[O-]
AddComponent,Add a amine to the molecule COc1cc2ccccc2cc1C(=O)N1CCC1.,COc1cc2c(N)cccc2cc1C(=O)N1CCC1
SubComponent,Substitute a nitrile in the molecule CCOc1ccc2c(c1)C(C)(CC#N)C(=O)N2C with a aldehyde.,CC(=O)CC1(C)C(=O)N(C)c2ccc(OCC)cc21
DelComponent,Remove a COc1c(I)ccc2c1C([NH3+])(CO)CCO2 from the molecule hydroxyl.,COc1c(I)ccc2c1C(C)([NH3+])CCO2
LogP,Please optimize the molecule COc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 to have a lower LogP value.,COc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3C#N)nc2c1
MR,Please modify the molecule CC(C)CC(C)OCC(O)CNc1cc(Br)ccc1Cl to decrease its MR value.,CC(C)CC(C)OCC(O)CNc1cc(C#N)ccc1Cl
QED,Please optimize the molecule O=S1(=O)CCC([NH2+]CCSC(F)(F)F)CC1 to have a higher QED value.,O=S1(=O)CCC([NH2+]C(CSC(F)(F)F)c2ccccc2)CC1
AtomNum,"The molecule has 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCCN(CCC)C(=O)C[NH+](CC)C1CCCCC1C[NH3+]
BondNum,"The molecule contains 13 single bonds, 9 rotatable bonds, and 6 aromatic bonds.",CCCCCCCC([NH2+]CC)c1cccc(Br)c1Cl
FunctionalGroup,There is a molecule with and 1 benzene ring group.,CCc1ccc(Cn2c(C[NH3+])c[nH+]c2C)cc1
AddComponent,Add a hydroxyl to the molecule CC(C)CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(NC(=O)C(CCCC[NH3+])NC(=O)C1CCCN1C(=O)CNC(=O)C([NH3+])CCCC[NH3+])C(C)C)C(C)O)C(=O)NC(Cc1ccccc1)C(=O)[O-].,CC(C)CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(NC(=O)C(CCCC[NH3+])NC(=O)C1CCCN1C(=O)CNC(=O)C([NH3+])CCCC[NH3+])C(C)C)C(C)O)C(=O)NC(Cc1cccc(O)c1)C(=O)[O-]
SubComponent,Substitute a CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCC[NH3+])NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C([NH3+])Cc1ccccc1)C(C)CC)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1ccccc1)C(N)=O in the molecule hydroxyl with a carboxyl.,CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCC[NH3+])NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(CC(=O)[OH])NC(=O)CNC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C([NH3+])Cc1ccccc1)C(C)CC)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(Cc1ccccc1)C(N)=O
DelComponent,Modify the molecule amide by removing a COc1cccc(Oc2ccc(NC(=O)C3CCC3C(=O)[O-])cc2)c1.,COc1cccc(Oc2ccc(C3(C(=O)[O-])CC3)cc2)c1
LogP,Modify the molecule CC(C)(C)CCS(=O)(=O)N1CCCC1CCCO to decrease its LogP value.,CC(C)(C)CCS(=O)(=O)N1C(CC=O)CCC1CCCO
MR,Optimize the molecule CCN1CCN(C(c2nc3ncc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2)C(c2nc3ncc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2)[NH+]2CCN(CC)CC2)CC1 to have a higher MR value.,CCN1CCN(C(c2nc3ncc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2)C(c2nc3ncc([N+](=O)[O-])cc3c(=O)n2-c2cccc(N)c2)[NH+]2CCN(CC)CC2)CC1
QED,Modify the molecule O=C(NCc1ccccc1Cl)C1CC(=O)N(c2cccc(-c3noc(-c4cccs4)n3)c2)C1 to have a lower QED value.,CC(=O)c1ccccc1CNC(=O)C1CC(=O)N(c2cccc(-c3noc(-c4cccs4)n3)c2)C1
AtomNum,"The molecule is composed of 14 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCOc1ccc(OCNC(=O)N(CC)CC)cc1
BondNum,"There is a molecule with 14 single bonds, 3 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(CCO)CC(F)F)cc1
FunctionalGroup,"Please generate a molecule with 6 hydroxyl groups, 1 sulfide group, and 3 sulfone groups.",CCN1C(=CC=CC=CC2=[N+](CCCCCC(=O)On3c(O)ccc3O)c3ccc4cc(SOOO)c(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2c1ccc1cc(S(=O)(=O)O)c(S(=O)(=O)O)cc21
AddComponent,Please add a hydroxyl to the molecule CC(Nc1cc(C[N+]2(S(=O)(=O)c3ccc(F)cc3)CCCC2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1.,CC(Nc1cc(C[N+]2(S(=O)(=O)c3ccc(F)cc3O)CCCC2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a COC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1)OC with a hydroxyl.,COC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(O)(F)F)c1)OC
DelComponent,Modify the molecule halo by removing a Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1C#N.,Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(S(=O)(=O)CF)cc2)c1C#N
LogP,Please modify the molecule C[NH2+]C(CSc1ccccc1)c1cncnc1 to decrease its LogP value.,C[NH2+]C(CSc1ccc(N)cc1)c1cncnc1
MR,Please optimize the molecule CN(C(=O)CBr)c1ccc(OCC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccccc2)C(O)C(=O)[N+]2(C(C)(C)C)CCCC2C(N)=O)cc1 to have a higher MR value.,CN(C(=O)CBr)c1ccc(OCC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccccc2)C(S)C(=O)[N+]2(C(C)(C)C)CCCC2C(N)=O)cc1
QED,Optimize the molecule COc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c2cccnc12 to have a higher QED value.,COc1ccc(NC(=O)Cc2c(C)nn(Cl)c2C)c2cccnc12
AtomNum,"There is a molecule with 22 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 fluorine atom.",CCc1cc(NCCc2coc(-c3ccc(F)cc3)n2)nc(-c2ccncc2)n1
BondNum,"There is a molecule composed of 10 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CNc1ccc(CCC2CCNC2=O)cc1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 halo group.",CC1(C)CCCCC1C(=O)NCCCCCI
AddComponent,Modify the molecule Cc1ccc(S(=O)(=O)OCC2C(NC(=O)OCc3ccccc3)CCN2C(=O)OCc2ccccc2)cc1 by adding a hydroxyl.,Cc1ccc(S(=O)(=O)OCC2C(NC(=O)OCc3ccccc3)CCN2C(=O)OCc2ccccc2)c(O)c1
SubComponent,Substitute a CCc1nc(C2CCC(C)(C)CC2)nc(N)c1Br in the molecule halo with a hydroxyl.,CCc1nc(C2CCC(C)(C)CC2)nc(N)c1O
DelComponent,Please remove a halo from the molecule CC([NH3+])Cc1nccc(Cl)n1.,CC([NH3+])Cc1ncccn1
LogP,Optimize the molecule CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OCC)c2)cc1 to have a higher LogP value.,CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3c(Cl)cc(Cl)cc3-c3ccccc3)c(OCC)c2)cc1
MR,Modify the molecule CC(C#N)(CC(=O)[O-])SC(=S)C(C)(C)C to increase its MR value.,CC(S)(CC(=O)[O-])SC(=S)C(C)(C)C
QED,Modify the molecule Cc1cc(Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)cc(C(=O)[O-])c1 to have a lower QED value.,O=C([O-])c1cc(Cc2ccccc2)cc(Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)c1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",Cc1[nH]n2c(C(C)(C)C)nnc2c1Oc1ccc(S(C)(=O)=O)cc1NS(C)(=O)=O
BondNum,"The molecule has 6 single bonds, 1 double bond, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",COc1c(I)ccc([N+](=O)[O-])c1C#N
FunctionalGroup,"The molecule consists of 1 amine group, 1 halo group, and 2 sulfide groups.",C=COCCn1c(Sc2nc3cccc(F)c3s2)nc2c(N)ncnc21
AddComponent,Add a hydroxyl to the molecule Cc1ccoc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1.,Cc1ccoc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1O
SubComponent,Please substitute a halo in the molecule Fc1ccc(CNc2nc(Cl)nnc2Cl)cc1Cl with a hydroxyl.,Oc1ccc(CNc2nc(Cl)nnc2Cl)cc1Cl
DelComponent,Modify the molecule benzene ring by removing a C[NH2+]C(c1cccc(Cl)c1)C1CCOC1.,C[NH2+]C(Cl)C1CCOC1
LogP,Please optimize the molecule COc1ccc(COC(C)CCO)cc1 to have a higher LogP value.,COc1ccc(COC(C)CCC#N)cc1
MR,Please modify the molecule CCCCCC(CC)(Pc1ccc(F)cc1C=NC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O to increase its MR value.,CC(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(CC)(CCCCC)Pc1ccc(F)cc1C=NC
QED,Please modify the molecule O=C(NCc1ccco1)C1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 to decrease its QED value.,O=C(NCc1ccco1)C1(C(=O)N2CCN(Cl)CC2)CC1
AtomNum,"The molecule is composed of 27 carbon atoms, 8 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
BondNum,"There is a molecule with 10 single bonds, 5 rotatable bonds, and 22 aromatic bonds.",Cc1ccccc1-c1nnc(Sc2ccnc(C(C)(C)C)n2)n1Cc1ccco1
FunctionalGroup,The molecule is composed of and 2 halo groups.,C=C(C)C1CC(=C(F)F)C[NH2+]1
AddComponent,Modify the molecule CCCCC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1=Cc1sc(N(CCCC)CCCC)nc1-c1c(OC)cccc1OC by adding a benzene ring.,CCCCC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1=Cc1sc(N(CCCC)C(CCC)c2ccccc2)nc1-c1c(OC)cccc1OC
SubComponent,Please substitute a halo in the molecule CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c[nH]ccc1=O with a thiol.,CN(Cc1ccc(S)cc1)S(=O)(=O)c1c[nH]ccc1=O
DelComponent,Modify the molecule benzene ring by removing a CCCCCC(=O)Nc1cccc(C2=NOC3(C2)CC(C(N)=O)N(C(=O)CC)C3)c1.,CCCCCC(=O)NC1=NOC2(C1)CC(C(N)=O)N(C(=O)CC)C2
LogP,Optimize the molecule Cc1sc(CCON)nc1-c1ccc(Cl)cc1 to have a lower LogP value.,Cc1sc(CCON)nc1Cl
MR,Please optimize the molecule Cn1nc(Br)c2c(Nc3cnn(-c4ncccn4)c3)ncnc21 to have a higher MR value.,Cn1nc(Br)c2c(Nc3cnn(-c4nccc(-c5ccccc5)n4)c3)ncnc21
QED,Modify the molecule CC(C)(C)c1nc(CSCc2ccc(Br)cc2)no1 to have a higher QED value.,CC(C)(C)c1nc(CSCc2ccc(C#N)cc2)no1
AtomNum,"The molecule contains 21 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 3 fluorine atoms.",CCOC(=O)COc1ccc(SCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)cc1C
BondNum,"The molecule consists of 12 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1CCC(Nc2ccc(CO)cc2)C(C)C1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, 1 halo group, and 1 sulfide group.",O=C(NNC(=O)C1CC=CCC1c1nc2ccccc2s1)c1ccc(F)cc1
AddComponent,Modify the molecule C=CCOC(=O)Nc1ccc(CCC(=O)[O-])cc1 by adding a benzene ring.,C=C(COC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1
SubComponent,Substitute a halo in the molecule CC(C)(C)C(F)(F)C(C)(C)C(F)(F)F with a hydroxyl.,CC(C)(C)C(O)(F)C(C)(C)C(F)(F)F
DelComponent,Please remove a benzene ring from the molecule COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CC[NH+](Cc1cccnc1)CC2.,COC(=O)c1c(OCF)cc(=O)n2c1CC[NH+](Cc1cccnc1)CC2
LogP,Optimize the molecule O=C1CC(N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2cccs2)C(=O)N1c1ccc(I)cc1 to have a higher LogP value.,O=C1CC(N(C(S)c2ccc3c(c2)OCO3)S(=O)(=O)c2cccs2)C(=O)N1c1ccc(I)cc1
MR,Please optimize the molecule CCC(N)C(OCc1cccc(Br)c1)C(F)(F)F to have a lower MR value.,CCC(N)C(OCBr)C(F)(F)F
QED,Modify the molecule O=C(NCc1ccccc1)c1sc(S(=O)(=O)c2ccccc2)nc1-c1ccccc1 to have a higher QED value.,O=C(NCc1ccccc1)c1sc([SH](=O)=O)nc1-c1ccccc1
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC(=O)Nc1ccc(C(O)C[NH2+]C(C)C)cc1F
BondNum,"Please generate a molecule composed of 13 single bonds, 4 triple bonds, 5 rotatable bonds, and 60 aromatic bonds.",C(#Cc1ccc(-c2ccc(C#Cc3cnc(-c4ncc(C#Cc5ccc(-c6ccc(C#Cc7ccc(-c8ccccn8)nc7)cn6)nc5)cn4)nc3)cn2)nc1)c1ccc(-c2ccccn2)nc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 hydroxyl group.",C=C(C)CN(C)c1ccc(C(C)[NH3+])c(O)c1
AddComponent,Please add a carboxyl to the molecule COc1cccc(C(O)C(=O)NC(C)c2ccccc2C)c1.,COc1cccc(C(O)C(=O)NC(CC(=O)O)c2ccccc2C)c1
SubComponent,Modify the molecule nitrile by substituting a CCCOc1ccc(C(C#N)N2CC[NH2+]CC2)cc1 with a hydroxyl.,CCCOc1ccc(C(O)N2CC[NH2+]CC2)cc1
DelComponent,Remove a hydroxyl from the molecule O=C([O-])CCCCC[NH2+]CC1(O)CCCC1.,O=C([O-])CCCCC[NH2+]CC1CCCC1
LogP,Optimize the molecule C[NH+]1CCCN(c2cccc(Cl)c2)CC1CO to have a lower LogP value.,CC(=O)c1cccc(N2CCC[NH+](C)C(CO)C2)c1
MR,Optimize the molecule Nc1ccc(F)cc1-c1ccc2ccccc2c1 to have a higher MR value.,Nc1ccc(F)c(CC=O)c1-c1ccc2ccccc2c1
QED,Modify the molecule COCC(C[NH3+])(C1CC1)N(C)C(C)c1ccc(Cl)cc1 to decrease its QED value.,CC(c1ccc(Cl)cc1)N(C)C(C[NH3+])(COCO)C1CC1
AtomNum,"Please generate a molecule with 20 carbon atoms, 6 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(O)C1C(=O)N2C(C(=O)[O-])=C(SC=CC(=O)OCC[NH+]=C(N)c3ccccn3)CC12
BondNum,"The molecule is composed of 7 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",CN(C(=O)Cc1ccccc1Br)c1ccc(N)nc1
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, and 1 amide group.",Cc1n[nH]c(C)c1CC(C)C(=O)NC1CCCCCC1CO
AddComponent,Modify the molecule COc1ccc(-c2ccc(OC(C)C)c(C(=O)NC3(CO)CCCc4[nH]c5cc(C(F)(F)F)ccc5c43)c2)cc1OC by adding a hydroxyl.,COc1ccc(-c2ccc(OC(C)C)c(C(=O)NC3(CO)CCCc4[nH]c5cc(C(F)(F)F)ccc5c43)c2)cc1OCO
SubComponent,Modify the molecule halo by substituting a COC(=O)c1ccc(C23CC4(C2)C(C[NH+](Cc2ccc(C(F)(F)F)cc2)C4c2ccccc2)C3c2ccc(C(F)(F)F)cc2)cc1 with a carboxyl.,COC(=O)c1ccc(C23CC4(C2)C(C[NH+](Cc2ccc(C(F)(F)C(=O)[OH])cc2)C4c2ccccc2)C3c2ccc(C(F)(F)F)cc2)cc1
DelComponent,Remove a CC(N)C[n+]1cc2cc(OCC(ON=C(C(=O)NC3C(=O)N(OS(=O)(=O)O)C3(C)C)c3csc(N)n3)C(=O)O)ccc2n1C from the molecule amide.,CC(N)C[n+]1cc2cc(OCC(ON=C(C(=O)NC(C)(C)OS(=O)(=O)O)c3csc(N)n3)C(=O)O)ccc2n1C
LogP,Please optimize the molecule COc1ccc(Br)cc1CNN to have a higher LogP value.,COc1ccc(Br)cc1CN
MR,Please modify the molecule CCCC[NH+](C)CCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 to increase its MR value.,CCCC[NH+](C)CC(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1
QED,Modify the molecule CCC(=O)C1=C(C)C=CC=C(CC)C1 to have a higher QED value.,CCC(=O)C1=C(C)C=CC(c2ccccc2)=C(CC)C1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",C[NH+]1CCN(C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)CC1
BondNum,"There is a molecule composed of 8 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",CCOc1cc(C=NNc2cc(C)nc3ccccc23)ccc1O
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, 1 halo group, 2 sulfide groups, and 1 sulfone group.",Cc1nc(CNS(=O)(=O)c2ccc(Cl)s2)sc1Cc1ccccc1
AddComponent,Add a amine to the molecule COC(=O)c1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1Cl.,COC(=O)c1c(Cl)ccc(S(=O)(=O)Nc2ccc(I)cc2)c1N
SubComponent,Please substitute a nitrile in the molecule COC(=O)C1=CC2(C)C3=CC(=O)C(C#N)=CC3(C#C[Si](C)(C)C)CCC2C(C)(C)C1=O with a halo.,COC(=O)C1=CC2(C)C3=CC(=O)C(Br)=CC3(C#C[Si](C)(C)C)CCC2C(C)(C)C1=O
DelComponent,Remove a hydroxyl from the molecule CC(O)C(C(=O)C1CC[NH2+]CC1)n1cc(C([NH3+])CCCC[NH3+])nn1.,CCC(C(=O)C1CC[NH2+]CC1)n1cc(C([NH3+])CCCC[NH3+])nn1
LogP,Please optimize the molecule CCCc1ccc(C(C)[NH+]2CCC(CC[NH2+]C)CC2)cc1 to have a lower LogP value.,CCCc1ccc(C(C)[NH+]2CCC(CC[NH2+]C)CC2)c(O)c1
MR,Please modify the molecule CCCN(CC)c1cc(C)ccc1C(N)=[NH2+] to decrease its MR value.,CCCN(CC)c1cc(C)ccc1CN
QED,Please optimize the molecule CC[NH2+]Cc1cc(Br)ccc1OCc1cccnc1OC to have a lower QED value.,CC[NH2+]Cc1cc(NO)ccc1OCc1cccnc1OC
AtomNum,"The molecule contains 21 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 3 fluorine atoms.",FC(F)(F)c1nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2ccccc2n1
BondNum,"The molecule has 19 single bonds, 4 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS(=O)(=O)C(C)(CC2CC2)C(N)=[NH+]1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amine groups, 1 sulfide group, and 1 sulfone group.",Cc1ccc(S(=O)(=O)NC(C)c2cccc(N)c2)s1
AddComponent,Add a amine to the molecule COc1ccccc1N1CC[NH+](CC(O)CN2C(=O)C=C(C[NH2+]C3CC3)C2=O)CC1.,COc1ccc(N)cc1N1CC[NH+](CC(O)CN2C(=O)C=C(C[NH2+]C3CC3)C2=O)CC1
SubComponent,Modify the molecule halo by substituting a FC(F)(F)COc1ccc(NCCCN2CC[NH2+]CC2)c(OCC(F)(F)F)c1 with a aldehyde.,CC(=O)C(F)(F)COc1ccc(NCCCN2CC[NH2+]CC2)c(OCC(F)(F)F)c1
DelComponent,Modify the molecule hydroxyl by removing a Cc1cc(C2[NH2+]CCCC2O)nc(C)n1.,Cc1cc(C2CCCC[NH2+]2)nc(C)n1
LogP,Please optimize the molecule CC(C)C(O)CNC(=O)CC(O)c1cccc(F)c1 to have a lower LogP value.,CC(C)C(O)CNC(=O)CC(O)c1cccc(O)c1
MR,Modify the molecule C=P1(O)OP(=O)([O-])OP(=O)(OP(=O)([O-])[O-])O1 to have a higher MR value.,C=P1(NO)OP(=O)([O-])OP(=O)(OP(=O)([O-])[O-])O1
QED,Optimize the molecule COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C3CCCCC3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 to have a lower QED value.,COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C3CCCCC3)C3=C2C(=O)CC(C)(C)C3)cc(NO)c1OCc1ccc(Cl)c(Cl)c1
AtomNum,"There is a molecule with 18 carbon atoms, 11 oxygen atoms, 5 nitrogen atoms, and 3 sulfur atoms.",CCN(C(=O)C(COC(=O)CCCON([O-])[O-])NC(C)=O)C1CN(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
BondNum,"Please generate a molecule composed of 7 single bonds, 3 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",O=C(CC(CS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amide groups.",CCC(C)C1C(=O)NC2(CCCCC2)C(=O)N1Cc1ccccc1
AddComponent,Modify the molecule CC(CNc1ccc(Cl)cc1I)C(=O)[O-] by adding a benzene ring.,O=C([O-])C(CNc1ccc(Cl)cc1I)Cc1ccccc1
SubComponent,Please substitute a COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1I in the molecule halo with a nitro.,COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1NO
DelComponent,Remove a CCCCCC(=O)N1CC2CCC([NH3+])CC2C1 from the molecule amide.,CCCCC1CC2CCC([NH3+])CC12
LogP,Optimize the molecule Cc1ccc(OCC2C[NH+](C)CCO2)c(N)n1 to have a higher LogP value.,Cc1ccc(OCC2C[NH+](C)CCO2)cn1
MR,Modify the molecule CC(=O)N1CC[NH+](Cc2cccc(CO)c2)CC1 to have a higher MR value.,CC(=O)N1CC[NH+](Cc2cccc(C(O)c3ccccc3)c2)CC1
QED,Please optimize the molecule CCC(=O)Nc1nc2ccc(CCC(=O)NCc3ccccc3F)cc2s1 to have a lower QED value.,CCC(=O)Nc1nc2ccc(CCC(=O)NCc3ccccc3C(=O)[OH])cc2s1
AtomNum,"There is a molecule composed of 38 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 2 chlorine atoms.",O=C1C2CC=C3C(CC4(Cl)C(=O)N(c5ccc(F)cc5)C(=O)C4(Cl)C3c3ccc4ccccc4c3O)C2C(=O)N1CCc1ccc(O)cc1
BondNum,"There is a molecule composed of 10 single bonds, 2 double bonds, 6 rotatable bonds, and 22 aromatic bonds.",COc1ccc(-c2cnn3c(C)cc(C)nc23)cc1S(=O)(=O)NCc1ccc(F)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amine group.",COCCCNc1[nH+]c(C)cn1-c1cccc(C)c1
AddComponent,Modify the molecule C[NH2+]C1CC[NH+](C2CCc3ccccc3C2)C(C)C1 by adding a benzene ring.,CC1CC([NH2+]Cc2ccccc2)CC[NH+]1C1CCc2ccccc2C1
SubComponent,Modify the molecule N#Cc1ccc(CCC(=O)N2CCCC2[NH3+])cc1 by substituting a nitrile with a carboxyl.,[NH3+]C1CCCN1C(=O)CCc1ccc(C(=O)[OH])cc1
DelComponent,Modify the molecule benzene ring by removing a CC(OC(=O)C(NC(=O)Cc1ccccc1)C(C)C)C(=O)N1c2ccccc2CC1C.,CC(=O)NC(C(=O)OC(C)C(=O)N1c2ccccc2CC1C)C(C)C
LogP,Optimize the molecule CC(Oc1ccccc1)c1nnc(NC(=O)Nc2ccc(F)cc2)s1 to have a lower LogP value.,CC(O)c1nnc(NC(=O)Nc2ccc(F)cc2)s1
MR,Please modify the molecule Cc1ccccc1-c1nc2cc(F)cc(Br)c2o1 to increase its MR value.,Cc1cccc(S)c1-c1nc2cc(F)cc(Br)c2o1
QED,Optimize the molecule Cc1ccc(Cl)c(C=CCOC(=O)C2CC2)c1 to have a higher QED value.,Cc1ccc(O)c(C=CCOC(=O)C2CC2)c1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCCCOc1cc(C[NH2+]C(C)CC)ccc1OC
BondNum,"Please generate a molecule with 10 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",COC1CC[NH2+]C(c2ccccc2C)C1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, 1 amine group, and 1 sulfone group.",NS(=O)(=O)c1ccc(NC(=O)c2cccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCC3)c2)cc1
AddComponent,Add a thiol to the molecule CCC(CCO)NC(=O)C=Cc1ccc(C(C)C)cc1.,CCC(CCO)NC(=O)C=Cc1ccc(C(C)C)cc1S
SubComponent,Substitute a halo in the molecule CC(C)CNC(=O)c1cc(-c2ccc(Cl)s2)[nH]c(=O)n1 with a nitro.,CC(C)CNC(=O)c1cc(-c2ccc(NO)s2)[nH]c(=O)n1
DelComponent,Please remove a amine from the molecule CN(C)C(=O)c1ccc(N)c(Nc2ccc(F)cc2Cl)c1.,CN(C)C(=O)c1ccc(N)c(-c2ccc(F)cc2Cl)c1
LogP,Modify the molecule COCCNC(=O)Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O to decrease its LogP value.,CC(=O)c1cccc(N2CCN(c3ccc(=O)n(CC(=O)NCCOC)n3)CC2)c1
MR,Optimize the molecule CC1(c2nc(C[NH2+]C3CC3)no2)CCCO1 to have a higher MR value.,CC1(c2nc(C[NH2+]C3CC3)no2)CC(N)CO1
QED,Please modify the molecule COc1ccc(C)cc1C(F)(F)CC(C)CC(=O)[O-] to decrease its QED value.,COc1ccc(C)cc1C(F)CC(C)CC(=O)[O-]
AtomNum,"The molecule consists of 19 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=C(C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1)N1CCCC1
BondNum,"There is a molecule with 44 single bonds, 8 double bonds, 27 rotatable bonds, and 24 aromatic bonds.",CCCCCN(CCCCN(CC1CC1CN(CCCCN(CC)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ester group, and 1 amide group.",CCOc1ccc(OCC(=O)OCC(=O)NCCOC)cc1
AddComponent,Please add a benzene ring to the molecule Cc1c(Cl)cccc1Nc1ccc(C(=O)Nc2ccc(F)cc2)cn1.,Cc1c(Cl)cccc1Nc1ccc(C(=O)Nc2ccc(F)c(-c3ccccc3)c2)cn1
SubComponent,Substitute a halo in the molecule Cc1cc(NC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)no1 with a carboxyl.,Cc1cc(NC(=O)C2CC(=O)N(c3ccc(C(=O)[OH])cc3)C2)no1
DelComponent,Modify the molecule benzene ring by removing a Cc1noc(C)c1Cn1nnc(C[NH3+])c1C=Cc1ccccc1.,C=Cc1c(C[NH3+])nnn1Cc1c(C)noc1C
LogP,Please modify the molecule Cc1ncoc1C(=O)N(C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 to decrease its LogP value.,Cc1ncoc1C(=O)N(C)CC1CC[NH+](CCc2ccc(C#N)cc2)CC1
MR,Please optimize the molecule OC1(c2cccnc2)CCC2(CCCC2)CC1 to have a lower MR value.,c1cncc(C2CCC3(CCCC3)CC2)c1
QED,Please optimize the molecule Cc1cc(C)cc(Cn2cc(I)c(C)cc2=O)c1 to have a higher QED value.,CCCn1cc(I)c(C)cc1=O
AtomNum,"The molecule contains 13 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",COCC[NH2+]CCCN1CC[NH+](C(C)C)CC1
BondNum,"There is a molecule composed of 6 single bonds, 5 rotatable bonds, and 34 aromatic bonds.",Fc1cc(Nc2nnc(-c3ccccc3)c3ccccc23)ccc1Oc1ccnc2ccccc12
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ketone group, and 1 amide group.",CC1(C)CC(=O)c2cc(C(=O)NCc3cccc(Cn4cccn4)c3)c(=O)[nH]c2C1
AddComponent,Modify the molecule Brc1ccc(C2N3CCCN23)cc1 by adding a amine.,Nc1cc(Br)ccc1C1N2CCCN12
SubComponent,Please substitute a hydroxyl in the molecule CC(C[NH+](C)C)OC(=O)c1cc(O)ccc1N with a carboxyl.,CC(C[NH+](C)C)OC(=O)c1cc(C(=O)[OH])ccc1N
DelComponent,Remove a amine from the molecule COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(NS(=O)(=O)CCCCl)CC1.,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(S(=O)(=O)CCCCl)CC1
LogP,Optimize the molecule COC(=O)OCC(C)(C)NC(=O)C(C(C)C)N1CCC1=O to have a lower LogP value.,COC(=O)OCC(C)(C)NC(=O)C(C(C)CC(=O)O)N1CCC1=O
MR,Please modify the molecule CCC1CCN(S(=O)(=O)c2cc(C[NH2+]C)ccc2Cl)CC1 to decrease its MR value.,CCC1CCN(S(=O)(=O)c2cc(C[NH2+]C)ccc2O)CC1
QED,Modify the molecule CCN(C(=O)c1ccc(F)cc1F)C(C)(C)C to have a higher QED value.,CCN(C(=O)c1ccc(C#N)cc1F)C(C)(C)C
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC(C)OCCN(C)S(=O)(=O)c1ccc(CCO)cc1
BondNum,"Please generate a molecule with 13 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCC1(CNC(=O)c2cc(C)c(C)c(S(=O)(=O)Cl)c2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 amine groups, and 1 halo group.",CCOC(C1CCCCC1)C(Cc1cccc(Cl)c1)NN
AddComponent,Please add a carboxyl to the molecule CCOC(=O)C(CCCCCOC(C)=O)(C(=O)OCC)C(=O)OCC.,CCOC(=O)C(CCCCCOC(C)=O)(C(=O)OCC)C(=O)OCCC(=O)O
SubComponent,Please substitute a halo in the molecule CCCC1CC=C(c2ccc(-c3ccc(OCC)nc3)c(Cl)c2F)CC1 with a aldehyde.,CC(=O)c1c(-c2ccc(OCC)nc2)ccc(C2=CCC(CCC)CC2)c1F
DelComponent,Remove a nitrile from the molecule COc1cc(Cl)c(C)cc1N1C(=O)C(Nc2ccccc2C#N)=C(Sc2ccc(C)cc2)C1=O.,COc1cc(Cl)c(C)cc1N1C(=O)C(Nc2ccccc2)=C(Sc2ccc(C)cc2)C1=O
LogP,Modify the molecule COCc1nn2c(ncc3c(=O)n(C(N)=S)ccc32)c1-c1ccc(F)cc1 to have a lower LogP value.,COCc1nn2c(ncc3c(=O)n(C(N)=S)ccc32)c1F
MR,Modify the molecule COC(=O)c1cc(C(F)(F)F)co1 to have a lower MR value.,COC(=O)c1cc(C(F)F)co1
QED,Please optimize the molecule CNC(=O)Cn1c(CO)c[nH+]c1SCC(=O)Nc1cc(C)cc(C)c1 to have a lower QED value.,CNC(=O)Cn1c(SCC(=O)Nc2cc(C)cc(C)c2)[nH+]c(-c2ccccc2)c1CO
AtomNum,"The molecule is composed of 15 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1cccc(-c2n[nH]c(-c3cc([N+](=O)[O-])ccc3[O-])n2)c1
BondNum,"The molecule is composed of 12 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",CCCC(C)CC([NH2+]CC)C(C)c1ccccc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 hydroxyl group.",Cc1noc(C2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1
AddComponent,Modify the molecule CC(C)(C)OC(=O)N1CCC(Nc2cccc(C(N)=O)c2)C1 by adding a benzene ring.,CC(C)(C)OC(=O)N1CCC(Nc2cccc(C(N)=O)c2)(c2ccccc2)C1
SubComponent,Please substitute a CC#CC(I)CCC in the molecule halo with a aldehyde.,CC(=O)C(C#CC)CCC
DelComponent,Remove a O=S(=O)(CC1C[NH+](C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1ccncc1 from the molecule halo.,O=S(=O)(CC1C[NH+](C(c2ccccc2)c2ccc(Cl)cc2)C1)c1ccncc1
LogP,Modify the molecule Oc1ccc(C2=[NH+]C(c3ccccc3)C(c3ccc(Br)cc3)N2)cc1 to have a higher LogP value.,N#Cc1ccc(C2=[NH+]C(c3ccccc3)C(c3ccc(Br)cc3)N2)cc1
MR,Modify the molecule CCCCN(CC)S(=O)(=O)c1ccc(C(=O)N=c2sc3cc(CC)ccc3n2CC(=O)OCC)cc1 to decrease its MR value.,CCCCN(CC)S(=O)(=O)C(=O)N=c1sc2cc(CC)ccc2n1CC(=O)OCC
QED,Please modify the molecule COc1ccc(NC(=O)NCc2cccc(CO)c2)cc1 to decrease its QED value.,COc1ccc(NC(=O)NCc2cccc(CI)c2)cc1
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 1 nitrogen atom, and 1 sulfur atom.",CC1CC[NH2+]C(C2CCCC2)CS1
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",O=C(c1ccc2c(n1)CCCC2)N1CCCC1CO
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ester group, and 1 amide group.",CCCCCCCCCC(=O)OC1c2ccccc2CCC1C[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1
AddComponent,Add a hydroxyl to the molecule O=c1cc(C[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2sccn12.,O=c1cc(C[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2sc(O)cn12
SubComponent,Please substitute a halo in the molecule CC(Nc1[nH]c2c(C3CC3)cnc(=O)c-2c2cc(Br)ccc12)C(C)(C)C with a thiol.,CC(Nc1[nH]c2c(C3CC3)cnc(=O)c-2c2cc(S)ccc12)C(C)(C)C
DelComponent,Modify the molecule benzene ring by removing a COc1cccc(S(OS(=O)(=O)c2ccc(C)cc2)(c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)c1.,COS(OS(=O)(=O)c1ccc(C)cc1)(c1ccc(OC(C)(C)C)cc1)c1ccc(OC(C)(C)C)cc1
LogP,Optimize the molecule Nc1csc2c(CBr)cc(Cl)cc12 to have a lower LogP value.,Nc1csc2c(CBr)cccc12
MR,Please optimize the molecule Cc1ccc(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)cc2[O-])c(C(=O)[O-])c1 to have a lower MR value.,Cc1ccc(NC(=O)c2nn(-c3ccc(S)cc3)c(=O)cc2[O-])c(C(=O)[O-])c1
QED,Modify the molecule N#Cc1nccnc1NCC1(O)CCCc2ccccc21 to increase its QED value.,N#Cc1nccnc1CC1(O)CCCc2ccccc21
AtomNum,"There is a molecule composed of 14 carbon atoms, and 2 nitrogen atoms.",CCC(CC)C(Cc1ccccc1C)NN
BondNum,"The molecule has 12 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",COCCNC(=O)CNC(=S)Nc1cc(C)cc(C)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 halo group, and 1 sulfone group.",O=S(=O)(c1ccc(OCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cc1)C1CC1
AddComponent,Modify the molecule CSCCCC[NH2+]Cc1cccc(OCC#N)c1 by adding a aldehyde.,CSCCC(CC=O)C[NH2+]Cc1cccc(OCC#N)c1
SubComponent,Modify the molecule hydroxyl by substituting a CCCCCOC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)nc1N with a halo.,CCCCCOC(=O)c1cn(C2OC(CCl)C(O)C2O)c(=O)nc1N
DelComponent,Modify the molecule CC(C)(C)C(=O)c1ccc(C(=O)c2ccc(Oc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1 by removing a benzene ring.,CC(C)(C)C(=O)c1ccc(C(=O)c2ccc(OOc3ccc(C(C)(C)C)cc3)cc2)cc1
LogP,Please optimize the molecule CCOC(=O)c1ccn(-c2ccc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2)n1 to have a higher LogP value.,CCOC(=O)c1ccn(-c2ccc(CNC(=O)c3ccc4ccccc4c3)cc2)n1
MR,Please modify the molecule Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)sc1C(=O)[O-] to decrease its MR value.,Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)sc1C(=O)[O-]
QED,Modify the molecule N#Cc1[nH]c(=O)cc(I)c1C(F)F to decrease its QED value.,O=c1cc(I)c(C(F)F)c[nH]1
AtomNum,"There is a molecule composed of 21 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 fluorine atoms.",COc1ccccc1C1C[NH2+]CCN1C(=O)C1CC1c1ccc(F)cc1F
BondNum,"The molecule contains 8 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",Cc1ccc(SC(C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ketone group, 1 ester group, and 2 halo groups.",COc1ccc(C(=O)OC(C)C(=O)c2ccc(Cl)cc2)cc1F
AddComponent,Modify the molecule CC(=O)OC(CCNC(=O)OC(C)(C)C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F by adding a hydroxyl.,CC(=O)OC(CCNC(=O)OC(C)(C)CO)C(=O)Oc1c(F)c(F)c(F)c(F)c1F
SubComponent,Substitute a halo in the molecule O=C1CCCc2nc(C[NH+]3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)sc21 with a aldehyde.,CC(=O)C(F)(F)c1ccccc1C(=O)N1CC[NH+](Cc2nc3c(s2)C(=O)CCC3)CC1
DelComponent,Modify the molecule CCCOCc1nc([O-])c(Br)c(=O)[nH]1 by removing a halo.,CCCOCc1nc([O-])cc(=O)[nH]1
LogP,Please modify the molecule Fc1cccc(C(=CC2CC[NH+](CCCCCCCCc3cccnc3)CC2)c2cccc(F)c2)c1 to decrease its LogP value.,O=CCC1CC(C=C(c2cccc(F)c2)c2cccc(F)c2)CC[NH+]1CCCCCCCCc1cccnc1
MR,Optimize the molecule Cc1nn(C)cc1C(C)Nc1cc(S(N)(=O)=O)ccc1Cl to have a higher MR value.,CC(=O)c1ccc(S(N)(=O)=O)cc1NC(C)c1cn(C)nc1C
QED,Optimize the molecule COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCc4ccccc4C3)c(=O)cc1C(NC(C)=O)CC2 to have a higher QED value.,COc1cc2c(c(OC)c1OC)-c1ccc(CCCC(=O)N3CCc4ccccc4C3)c(=O)cc1C(NC(C)=O)CC2
AtomNum,"The molecule has 20 carbon atoms, 3 oxygen atoms, and 1 iodine atom.",CCOC(=O)CCCCCOc1ccc([I+]c2ccccc2)cc1
BondNum,"The molecule has 13 single bonds, 2 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1C(=O)NCc1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 ketone group, and 1 sulfone group.",CCCOCc1c(C(=O)c2c[nH]n(C)c2=O)ccc2c1S(=O)(=O)CCC2(C)C
AddComponent,Modify the molecule OC(C[NH2+]Cc1ccccc1)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 by adding a benzene ring.,OC(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C([NH2+]Cc1ccccc1)c1ccccc1
SubComponent,Substitute a O=C(Nc1cc(Cl)c2c(c1Cl)C[NH2+]CC2)c1cccc(OCCBr)c1 in the molecule halo with a carboxyl.,O=C(Nc1cc(C(=O)[OH])c2c(c1Cl)C[NH2+]CC2)c1cccc(OCCBr)c1
DelComponent,Remove a halo from the molecule CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(COCC(F)(F)F)cc2)c1.,CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(COCC(F)F)cc2)c1
LogP,Modify the molecule O=C(NCC1CCC(O)[NH2+]1)c1ccc(NCC2(c3ncccc3F)CCC2)nn1 to increase its LogP value.,O=C(NCC1CCC[NH2+]1)c1ccc(NCC2(c3ncccc3F)CCC2)nn1
MR,Modify the molecule CC(O)C(NC(=O)c1c[nH+]c2n1C(C)(Cc1ccc(C#N)cc1)C(=O)N2c1cc(Cl)c(F)c(Cl)c1)C(=O)NC1(c2ccc(-c3cnn(C)c3)nn2)CC1 to increase its MR value.,CC(O)C(NC(=O)c1c[nH+]c2n1C(C)(Cc1ccc(C#N)cc1)C(=O)N2c1cc(Cl)c(F)c(Cl)c1)C(=O)NC1(c2ccc(-c3cn(C)nc3O)nn2)CC1
QED,Please modify the molecule COc1ccc(C(=O)NNC(=O)c2cc3sc4ccccc4c3s2)cc1 to increase its QED value.,COC(=O)NNC(=O)c1cc2sc3ccccc3c2s1
AtomNum,"There is a molecule consisting of 12 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",C=CC(C)[NH+]1CCC(C(=O)OCC)CC1
BondNum,"The molecule contains 9 single bonds, 2 double bonds, and 5 rotatable bonds.",CCCS(=O)(=O)NC(C)(C)CC
FunctionalGroup,"There is a molecule composed of 1 amide group, 1 halo group, 1 sulfide group, and 1 sulfone group.",O=C(CCn1cnc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
AddComponent,Please add a carboxyl to the molecule CCCCNC(=O)CCCC(C)(C)c1ccc2cc3ccccc3cc2c1.,CCCCNC(=O)CCC(C(=O)O)C(C)(C)c1ccc2cc3ccccc3cc2c1
SubComponent,Modify the molecule CCOC(=O)C(C)(C)C(=O)CN(CC)c1ccccc1F by substituting a halo with a nitro.,CCOC(=O)C(C)(C)C(=O)CN(CC)c1ccccc1NO
DelComponent,Modify the molecule hydroxyl by removing a CCC(=O)N(C)CC1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N(C(C)CO)CC1C.,CCC(=O)N(C)CC1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N(C(C)C)CC1C
LogP,Modify the molecule COc1cccc(C2[NH2+]CC(=O)N2CC(C)[NH+](C)C)c1 to have a lower LogP value.,COC1[NH2+]CC(=O)N1CC(C)[NH+](C)C
MR,Please modify the molecule CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCc3cc(C)ccc32)c1 to increase its MR value.,CCN(CC)S(=O)(=O)c1ccc(=O)n(C(C(=O)N2CCCc3cc(C)ccc32)c2ccccc2)c1
QED,Modify the molecule C[NH2+]CCCC(=O)Nc1ccccc1-n1cccn1 to decrease its QED value.,C[NH2+]CCC(C(=O)Nc1ccccc1-n1cccn1)c1ccccc1
AtomNum,"There is a molecule with 12 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 bromine atom.",CCN(C(C)COC)S(=O)(=O)c1cc(N)c(F)cc1Br
BondNum,"Please generate a molecule consisting 22 single bonds, 2 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",C[NH+]=C(NCc1nc(C(C)C)cs1)NCC1CCCCN1C(=O)OC(C)(C)C
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 amine groups, 4 halo groups, and 1 sulfone group.",CC(C(N)=S)S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1
AddComponent,Add a carboxyl to the molecule CCCCC(=O)NC(C#N)c1cccnc1.,CC(CCC(=O)NC(C#N)c1cccnc1)C(=O)O
SubComponent,Please substitute a C[NH+](C)CCC(=O)Nc1ccc(Br)cc1CO in the molecule halo with a carboxyl.,C[NH+](C)CCC(=O)Nc1ccc(C(=O)[OH])cc1CO
DelComponent,Remove a amide from the molecule COC(=O)c1cccc2[nH]c(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc(=O)c12.,COC(=O)c1cccc2[nH]c(C(=O)NCc3ccc4c(c3)O4)nc(=O)c12
LogP,Please optimize the molecule CCc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(Cl)c1CCl to have a lower LogP value.,CCc1nn(-c2ncc(C(F)(F)S)cc2Cl)c(Cl)c1CCl
MR,Optimize the molecule N#CCNC(=O)C1CC(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1C(=O)N1CCOCC1 to have a lower MR value.,N#CCC1(C(=O)N2CCOCC2)CC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1
QED,Optimize the molecule C#Cc1ccc(OC(=O)N2CCc3cc(-c4cc(C(=O)N(C)c5ccc(O)cc5)c(C)n4C)c(C(=O)N4Cc5ccccc5CC4C[NH+]4CCOCC4)cc3C2)cc1 to have a higher QED value.,C#Cc1ccc(OC(=O)N2CCc3cc(-c4cc(C(=O)N(C)c5ccccc5)c(C)n4C)c(C(=O)N4Cc5ccccc5CC4C[NH+]4CCOCC4)cc3C2)cc1
AtomNum,"The molecule contains 25 carbon atoms, and 8 nitrogen atoms.",CCn1c(-c2c(N)n(CCc3ccccc3)c3nc(C#N)c(C#N)nc23)nc2ccccc21
BondNum,"There is a molecule composed of 15 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[NH+](Cc1ccccc1)C2
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 1 amine group, 2 halo groups, 1 thioether group, and 1 sulfide group.",CSc1nccn1-c1cccc(C(=O)NCCNc2ncc(Cl)cc2Cl)c1
AddComponent,Modify the molecule CC(=O)c1ccc(Cc2ccc3ccccc3n2)cc1 by adding a benzene ring.,CC(=O)c1ccc(Cc2ccc3c(-c4ccccc4)cccc3n2)cc1
SubComponent,Please substitute a [NH3+]CCOc1cc(F)cc(F)c1Br in the molecule halo with a hydroxyl.,[NH3+]CCOc1cc(O)cc(F)c1Br
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(OCNC(=O)N(CC(C)C)CC(C)C)c(C)c1.,CCOCNC(=O)N(CC(C)C)CC(C)C
LogP,Optimize the molecule CCCC(C)(C)NC(=O)c1sc2nccc(C)c2c1N to have a higher LogP value.,CCCC(C)(Cc1ccccc1)NC(=O)c1sc2nccc(C)c2c1N
MR,Modify the molecule Cc1cc(C)cc(Nc2ccnc3ccc(Cl)cc23)c1 to increase its MR value.,Cc1cc(C)c(-c2ccccc2)c(Nc2ccnc3ccc(Cl)cc23)c1
QED,Optimize the molecule Cc1cccc(-c2nc3cc(N4CC(C(=O)[O-])CC4=O)ccc3o2)c1 to have a higher QED value.,Cc1cccc(-c2nc3cc(CCC(=O)[O-])ccc3o2)c1
AtomNum,"Please generate a molecule with 20 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1oc(-c2cccs2)nc1C(=O)NCc1ccccc1N1CCOCC1
BondNum,"Please generate a molecule consisting 18 single bonds, 4 double bonds, 1 triple bond, 9 rotatable bonds, and 5 aromatic bonds.",C#CC(CC)(CC)NC(=O)CSc1nnc(C2CCS(=O)(=O)C2)n1CC=C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amide groups, and 2 halo groups.",O=C1CCN(c2cccc(F)c2F)C(=O)C2(CCCC2)N1
AddComponent,Modify the molecule O=C([O-])c1cn(CC(=O)N2CCCC2CO)nn1 by adding a carboxyl.,O=C([O-])c1cn(CC(=O)N2C(CO)CCC2C(=O)O)nn1
SubComponent,Substitute a halo in the molecule Nc1ncc(-c2nc(N3CCOCC3)c3cc(-c4cccc(NS(=O)(=O)CCCF)c4F)cc(N4CCOCC4)c3n2)cn1 with a hydroxyl.,Nc1ncc(-c2nc(N3CCOCC3)c3cc(-c4cccc(NS(=O)(=O)CCCO)c4F)cc(N4CCOCC4)c3n2)cn1
DelComponent,Remove a benzene ring from the molecule COC(=O)C=Cc1ccc(SC(=O)N(C)C)c(F)c1.,COC(=O)C=C[SH](F)C(=O)N(C)C
LogP,Modify the molecule C[NH+]=C1NC(=O)C(c2ccc3c(c2)OCCO3)N1 to decrease its LogP value.,C[NH+]=C1NC(=O)C(c2cc(O)c3c(c2)OCCO3)N1
MR,Please optimize the molecule CC(N)(C#N)CCCOc1ccc(F)cc1F to have a higher MR value.,CC(N)(C#N)CCCOc1ccc(F)cc1
QED,Please modify the molecule O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3ccc4ncccc4c3)CC2)C1 to increase its QED value.,O=C(Nc1ccc(C(F)F)cc1)N1CCC2(CCN(C(=O)c3ccc4ncccc4c3)CC2)C1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC(C)CCOCC(=O)NC1CCCCC1
BondNum,"There is a molecule composed of 10 single bonds, 1 double bond, 7 rotatable bonds, and 15 aromatic bonds.",CC[NH+](CC)CCNC(=O)c1sc2ncccc2c1-n1cccc1
FunctionalGroup,The molecule has and 1 amide group.,Cc1noc(C2CN(C(=O)c3cccnc3N3CCCC3)C2)n1
AddComponent,Please add a benzene ring to the molecule CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)C(C)c2ccccc2)c1.,CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)C(C)c2ccccc2-c2ccccc2)c1
SubComponent,Substitute a halo in the molecule CC[As](C)Br with a nitro.,CC[As](C)NO
DelComponent,Please remove a CSc1ccc(C(O)Cc2c(F)cccc2Cl)cc1 from the molecule hydroxyl.,CSc1ccc(CCc2c(F)cccc2Cl)cc1
LogP,Please optimize the molecule CCCCCN(C)c1c(F)cc(C(N)=[NH2+])cc1F to have a higher LogP value.,CCCCCN(C)c1c(F)cc(C(N)=[NH2+])cc1S
MR,Please optimize the molecule Cc1c(F)cccc1CNc1ccc2sccc2c1 to have a higher MR value.,Cc1c(O)cccc1CNc1ccc2sccc2c1
QED,Optimize the molecule COc1cc2oc(=O)ccc2cc1C(C=C(C)C)c1c(OC)cc2c(c1[O-])c(=O)c1cccc(OC)c1n2C to have a lower QED value.,COc1cc2oc(=O)ccc2cc1C(C=C(C)C)c1c(OC)cc2c(c1[O-])c(=O)c1cccc(OCCC=O)c1n2C
AtomNum,"There is a molecule with 9 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",CCCC(CCl)Cc1nccs1
BondNum,"There is a molecule consisting of 12 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",OCC[NH2+]CCCN1c2ccccc2Sc2ccc(Cl)cc21
FunctionalGroup,"The molecule contains 1 ketone group, and 1 ester group.",CCOC(=O)C(C)(C)C(=O)C[NH+](CC(C)C)C(CC)CC
AddComponent,Add a carboxyl to the molecule Cn1c(-c2c[nH+]c(C3(N)CCC3)[nH]2)nc2cc(Br)ccc21.,NC1(c2[nH]c(-c3nc4cc(Br)ccc4n3CC(=O)O)c[nH+]2)CCC1
SubComponent,Modify the molecule Cc1cc(F)ccc1-c1cccc(C(=O)Nc2ccc(Oc3ccnc(NCC(C)(C)C[NH+](C)C)n3)c3ccccc23)c1 by substituting a halo with a carboxyl.,Cc1cc(C(=O)[OH])ccc1-c1cccc(C(=O)Nc2ccc(Oc3ccnc(NCC(C)(C)C[NH+](C)C)n3)c3ccccc23)c1
DelComponent,Remove a CSC(CO)C(C)NC(=O)c1cc(N)c(Cl)c(Cl)c1 from the molecule amine.,CSC(CO)C(C)NC(=O)c1ccc(Cl)c(Cl)c1
LogP,Optimize the molecule OC(O)c1ccncc1NCC1CCOc2cc(C3CCOCC3)ccc21 to have a higher LogP value.,N#CC(O)c1ccncc1NCC1CCOc2cc(C3CCOCC3)ccc21
MR,Modify the molecule CC(C)CC(NC(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCOCC1)C(N)=O to have a lower MR value.,CC(C)CC(NC(=O)C(C)CS(=O)(=O)N1CCOCC1)C(N)=O
QED,Please optimize the molecule CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)NCC4CCCO4)ccc3n2)CC1 to have a higher QED value.,CC[NH+]1CCN(c2cc(C)c3cc(CC(=O)NCC4CCCO4)ccc3n2)CC1
AtomNum,"The molecule contains 12 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",CN(c1cccc(F)c1)c1cncc(CO)n1
BondNum,"The molecule has 9 single bonds, 2 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",Cc1ncsc1C[NH2+]C1CC(=O)NC1=O
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, and 1 sulfone group.",Cc1ccc(O)c(C[NH2+]CCCS(C)(=O)=O)c1
AddComponent,Modify the molecule CCCC1CC(C[NH3+])(N(CC)Cc2ccncc2)CCO1 by adding a hydroxyl.,CCCC1CC(C[NH3+])(N(CC)Cc2ccnc(O)c2)CCO1
SubComponent,Modify the molecule halo by substituting a Cc1cccc(NS(=O)(=O)N2CCCCC2C[NH3+])c1Br with a aldehyde.,CC(=O)c1c(C)cccc1NS(=O)(=O)N1CCCCC1C[NH3+]
DelComponent,Modify the molecule amine by removing a CN1C(=O)CC(C)(c2cc(NC(=O)c3cnc4ccccc4n3)ccn2)[NH+]=C1N.,CN1C=[NH+]C(C)(c2cc(NC(=O)c3cnc4ccccc4n3)ccn2)CC1=O
LogP,Please optimize the molecule CC(C(=O)[O-])=C(C)C(=O)N1CCc2sccc2C1C1CC1 to have a lower LogP value.,CC(C(=O)[O-])=C(C)C(=O)N1CCc2sc(CC=O)cc2C1C1CC1
MR,Optimize the molecule COc1ccccc1CCNc1nccc(NC2CCCC2)n1 to have a lower MR value.,COCCNc1nccc(NC2CCCC2)n1
QED,Modify the molecule CC(C)(C)C(NC(=O)Nc1c(Cl)cccc1Cl)C(=O)[O-] to decrease its QED value.,CC(C)(C)C(NC(=O)Nc1c(Cl)ccc(O)c1Cl)C(=O)[O-]
AtomNum,"The molecule is composed of 24 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 1 sulfur atom.",CC=C(C(C#N)c1nc2ccc(C)nc2s1)N(C)COCc1ccc(CN(C)NC)cc1
BondNum,"Please generate a molecule consisting 10 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",CCOc1cc(Cl)c(C(O)c2cc(C)ccc2Br)cc1Cl
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 1 hydroxyl group.",COc1ccc(C#CC(C)(C)O)c(CCC[NH2+]CCc2ccc(OC)c(OC)c2)c1
AddComponent,Add a hydroxyl to the molecule C=C(C)COc1ccccc1C#CCCCCC.,C=C(C)COc1ccccc1C#CC(O)CCCC
SubComponent,Modify the molecule halo by substituting a CC(C)CCCC(Cc1cccc(Br)c1)NN with a carboxyl.,CC(C)CCCC(Cc1cccc(C(=O)[OH])c1)NN
DelComponent,Please remove a NC(=O)CC(CC[P+](=O)CO)C(=O)O from the molecule amide.,O=C(O)CCC[P+](=O)CO
LogP,Optimize the molecule CNS(=O)(=O)c1csc(-c2nc(C3C[NH+]4CCCC4(C)CO3)no2)c1 to have a lower LogP value.,CNS(=O)(=O)c1csc(-c2nc(C3C[NH+]4CCCC4(CC(=O)O)CO3)no2)c1
MR,Please optimize the molecule O=C([O-])NCCOc1cccc(CN(CCO)C(=O)Nc2ccc(-c3cn[nH]c3)cc2F)c1 to have a higher MR value.,CC(=O)c1cc(-c2cn[nH]c2)ccc1NC(=O)N(CCO)Cc1cccc(OCCNC(=O)[O-])c1
QED,Modify the molecule O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccccc2F)N1c1nnc(SCc2ccccc2)s1 to decrease its QED value.,O=C1c2oc3ccc(S)cc3c(=O)c2C(c2ccccc2F)N1c1nnc(SCc2ccccc2)s1
AtomNum,"Please generate a molecule composed of 8 carbon atoms, 2 oxygen atoms, and 1 sulfur atom.",COC(C)CSC(C)C(C)O
BondNum,"The molecule consists of 13 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(OC(=O)C(C)(C)c2ccc3c(c2)OCCO3)cc1
FunctionalGroup,"There is a molecule with 1 amide group, 1 amine group, and 2 halo groups.",CC1(C)Cc2c(c(C(=O)NC34CC5CC(CC(C5)C3)C4)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1
AddComponent,Modify the molecule C#CC(Br)CBr by adding a hydroxyl.,C#CC(Br)C(O)Br
SubComponent,Please substitute a halo in the molecule CN(c1cc(C(F)(F)F)ncn1)C1CN(c2ccc(C(C)(C)C)nn2)C1 with a hydroxyl.,CN(c1cc(C(O)(F)F)ncn1)C1CN(c2ccc(C(C)(C)C)nn2)C1
DelComponent,Please remove a benzene ring from the molecule CC(=O)N(CCC(=O)N1CCCC(C)C1)Cc1ccccc1.,CC(=O)N(C)CCC(=O)N1CCCC(C)C1
LogP,Please optimize the molecule FC(F)(F)c1cc(-c2ccc(Cl)cc2)cc(Cl)n1 to have a lower LogP value.,CC(=O)C(F)(F)c1cc(-c2ccc(Cl)cc2)cc(Cl)n1
MR,Modify the molecule CCN(Cc1ccccc1Cl)C(=O)CNC(=O)c1ccccc1C to have a lower MR value.,CCN(CCl)C(=O)CNC(=O)c1ccccc1C
QED,Optimize the molecule CC[NH+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1cccs1 to have a lower QED value.,CC(=O)c1cc(OC)c(NC(=O)C[NH+](CC)Cc2cccs2)cc1C
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 fluorine atoms.",CC1OCCC1C(Cc1ccc(F)c(F)c1)NN
BondNum,"The molecule consists of 26 single bonds, 4 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c1C
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 1 halo group.",Cc1ccc(-c2oc3ccc(C)cc3c(=O)c2OCc2cccc(Cl)c2)cc1
AddComponent,Please add a benzene ring to the molecule Cn1nc(C[NH+]2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)ccc1=O.,Cn1nc(C[NH+]2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)c(-c2ccccc2)cc1=O
SubComponent,Modify the molecule halo by substituting a CC(C)[NH+]=C(N)c1ccc(F)c(Br)c1 with a nitrile.,CC(C)[NH+]=C(N)c1ccc(C#N)c(Br)c1
DelComponent,Please remove a benzene ring from the molecule CCCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1.,CCCCOC(=O)NC(=O)c1cc([N+](=O)[O-])ccc1Br
LogP,Please modify the molecule O=C(CO[N+](=O)[O-])NNC(=O)c1ccc(NCC(O)CN2C(=O)C(=Cc3ccccc3O)SC2=[NH+]c2ccccc2)cc1 to increase its LogP value.,CC(=O)C(CNc1ccc(C(=O)NNC(=O)CO[N+](=O)[O-])cc1)CN1C(=O)C(=Cc2ccccc2O)SC1=[NH+]c1ccccc1
MR,Optimize the molecule COc1cc2ncn(CCCC(=O)Nc3ccccc3-n3cncn3)c(=O)c2cc1OC to have a higher MR value.,COc1cc2c(=O)n(CCCC(=O)Nc3ccccc3-n3cncn3)cnc2cc1OCO
QED,Please optimize the molecule CC(=O)NCCNC(=O)N1CCCC(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)C1 to have a higher QED value.,CCNC(=O)N1CCCC(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)C1
AtomNum,"The molecule consists of 30 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",CC(CCOc1ccc2c(c1)C13CCCCC1C(C2)N(C(=O)OCc1ccccc1)CC3)CC(=O)[O-]
BondNum,"There is a molecule with 7 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C=CC(=O)C=Cc2ccc(C)cc2)cc1
FunctionalGroup,Please generate a molecule consisting and 3 hydroxyl groups.,CCOCC1OC(CO)C(CO)C(O)C1C
AddComponent,Add a benzene ring to the molecule CC(C)(C)c1ccc(NC2CCc3c(F)cccc32)cc1.,CC(C)(C)c1ccc(NC2CCc3c(F)cccc32)cc1-c1ccccc1
SubComponent,Substitute a halo in the molecule CC(C)CCN(C)S(=O)(=O)c1cc(N)cc(Br)c1F with a thiol.,CC(C)CCN(C)S(=O)(=O)c1cc(N)cc(S)c1F
DelComponent,Modify the molecule CCOc1ccc(-c2[nH]nc3c2C(c2ccc(Cl)cc2)C(C#N)=C([NH3+])O3)c(OCC)c1 by removing a halo.,CCOc1ccc(-c2[nH]nc3c2C(c2ccccc2)C(C#N)=C([NH3+])O3)c(OCC)c1
LogP,Modify the molecule CC(Nc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ncn[nH]1 to decrease its LogP value.,CC(Nc1cc(NO)c(Cl)cc1[N+](=O)[O-])c1ncn[nH]1
MR,Please modify the molecule CCOc1ccc(C(=O)Nc2c(C)nc3c(C)cccn3c2=O)cc1 to decrease its MR value.,CCOC(=O)Nc1c(C)nc2c(C)cccn2c1=O
QED,Please optimize the molecule CC(C)(C)c1ccc(C[NH+]2CCC(CCC[NH3+])CC2)cc1 to have a lower QED value.,CC(C)(C)C[NH+]1CCC(CCC[NH3+])CC1
AtomNum,"There is a molecule with 33 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CC(C)(C)OC(=O)NC(CNc1cccc(Cl)c1)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)(CC(=O)[O-])CC(=O)NCCc1ccccc1F
FunctionalGroup,Please generate a molecule with and 1 hydroxyl group.,CCCn1cc[nH+]c1CC(O)C1(CC(C)C)CCCC1
AddComponent,Please add a hydroxyl to the molecule CCCC([NH3+])C#Cc1cccc(OCC)c1.,CCCC([NH3+])C#Cc1ccc(O)c(OCC)c1
SubComponent,Substitute a CCOC(=O)C=C(c1ccccc1Cl)c1cc2cnc(SC)nc2n1-c1c(F)cccc1F in the molecule halo with a nitro.,CCOC(=O)C=C(c1ccccc1NO)c1cc2cnc(SC)nc2n1-c1c(F)cccc1F
DelComponent,Modify the molecule amine by removing a COc1cc(-c2ccc3ncc(NS(=O)(=O)CCCl)nc3n2)ccc1O.,COc1cc(-c2ccc3ncc(S(=O)(=O)CCCl)nc3n2)ccc1O
LogP,Modify the molecule COc1cccc(NC(=O)c2cnc(NCCc3c[nH]c4ccccc34)nc2)c1 to increase its LogP value.,COc1cccc(NC(=O)c2cnc(NCCc3c[nH]c4ccccc34)nc2-c2ccccc2)c1
MR,Please optimize the molecule CCC1CCCCC1(C[NH3+])N(C)Cc1cnn(C)c1 to have a higher MR value.,CN(Cc1cnn(C)c1)C1(C[NH3+])CCCCC1CCS
QED,Please modify the molecule Clc1ccccc1N=C1P(c2ccccc2)C(=Nc2ccccc2Cl)P1c1ccccc1 to decrease its QED value.,CC(=O)c1ccccc1N=C1P(c2ccccc2)C(=Nc2ccccc2Cl)P1c1ccccc1
AtomNum,"Please generate a molecule with 9 carbon atoms, 4 nitrogen atoms, and 3 sulfur atoms.",CSc1nnc(SCCC(C)(C)C(N)=[NH2+])s1
BondNum,"The molecule has 28 single bonds, 10 rotatable bonds, and 10 aromatic bonds.",C[NH+](Cc1ncc[nH]1)Cc1nccn1CCCC[NH+]1CCC2(CC[NH+](C3CCCCC3)CC2)C1
FunctionalGroup,The molecule consists of and 1 amide group.,Cc1cnc(C[NH+]2CCCN(C(=O)C3CC3)CC2)o1
AddComponent,Add a hydroxyl to the molecule CCOc1cc2c(cc1C[NH+]1CC3CC(O)CN3CC1C)OCO2.,CCOc1cc2c(cc1C[NH+]1CC3CC(O)CN3CC1CO)OCO2
SubComponent,Substitute a COC(=O)C12CCCN1N=C([Si](C)(C)C)C2c1cc(OC)c(Br)cc1Br in the molecule halo with a thiol.,COC(=O)C12CCCN1N=C([Si](C)(C)C)C2c1cc(OC)c(S)cc1Br
DelComponent,Remove a benzene ring from the molecule N#CC1(NC(=O)CNC(=O)Cc2nc3ccc(-c4ccccc4)c(Cl)c3s2)CC1.,N#CC1(NC(=O)CNC(=O)Cc2nc3cccc(Cl)c3s2)CC1
LogP,Please modify the molecule C[NH+](CCCC[NH2+]C(C)(C)C)Cc1ccc(F)cc1 to decrease its LogP value.,C[NH+](CCCC[NH2+]C(C)(C)C)Cc1ccccc1
MR,Modify the molecule O=C(Nc1cccc(F)c1F)NC1CCc2nnnn2CC1 to have a higher MR value.,O=C(Nc1cccc(F)c1F)NC1CCn2nnnc2CC1O
QED,Optimize the molecule CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(CCO[P+](O)(O)OCc5ccc(OC6OCC(O)C(O)C6O)c(NC(=O)CCNC(=O)CCOCCN6C(=O)C=CC6=O)c5)CC4)cc3OC)c12 to have a lower QED value.,CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(CCO[P+](O)(O)OCc5ccc(OC6OCC(O)C(O)C6O)c(NC(=O)CCNC(=O)CCOCCN6C(=O)C=CC6=O)c5)CC4)cc3OCO)c12
AtomNum,"Please generate a molecule composed of 30 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cccc(C)c1N(Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1)S(C)(=O)=O
BondNum,"The molecule is composed of 15 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CC(=O)N(c1ccc(O)cc1)N1CCC(O)(Cc2ccc(Cl)cc2)CC1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 ester group, 1 amine group, and 1 sulfone group.",CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)NCCc3ccccc3)c2)on1
AddComponent,Please add a hydroxyl to the molecule CCCOc1ccc(-c2cc(C(C(=O)OCCCOP(=O)([O-])[O-])n3cnc4c3C=CN(c3cccc(F)c3F)N4)on2)c(C(F)(F)F)c1.,CC(O)COc1ccc(-c2cc(C(C(=O)OCCCOP(=O)([O-])[O-])n3cnc4c3C=CN(c3cccc(F)c3F)N4)on2)c(C(F)(F)F)c1
SubComponent,Substitute a hydroxyl in the molecule O=[As]c1ccc(O)c(NCS(=O)[O-])c1 with a thiol.,O=[As]c1ccc(S)c(NCS(=O)[O-])c1
DelComponent,Modify the molecule CCC(=O)OC1(NC(=O)Oc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 by removing a benzene ring.,CCC(=O)OC1(NC(=O)Oc2ccccc2)CCN(C(=O)OC)CC1
LogP,Please modify the molecule Nc1cccc2c1N(C1CCOC3(CCC3)C1)CC2 to decrease its LogP value.,Nc1cccc2c1N(C1(C(=O)O)CCOC3(CCC3)C1)CC2
MR,Please optimize the molecule C[NH2+]C(COc1ccccc1C(C)C)c1ccc(C)cc1 to have a higher MR value.,C[NH2+]C(COc1ccccc1C(C)C)c1ccc(C)cc1O
QED,Modify the molecule CCC(CC(=O)NCC1CN(c2ccccc2)C(=O)O1)c1ccc(F)cc1 to have a lower QED value.,CCC(CC(=O)NCC1CN(c2ccccc2)C(=O)O1)c1ccc(S)cc1
AtomNum,"The molecule is composed of 24 carbon atoms, and 7 oxygen atoms.",CC(=O)OC1CCC(C)C23CC(C(O)C(OC(=O)c4ccccc4)C12CO)C(C)(C)O3
BondNum,"There is a molecule composed of 24 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",CCC(C)CCC1(C)OB(c2ccc(OC(=O)N3Cc4ccc(OC)cc4C3)cc2)OC1(C)C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amine group.",CCn1cc(-c2cc(N)ccc2C)c(C)n1
AddComponent,Modify the molecule CC1CCCC(CNC(=O)NC(C(=O)[O-])C(C)O)C1 by adding a aldehyde.,CC1CCCC(CNC(=O)NC(C(=O)[O-])C(O)CCC=O)C1
SubComponent,Please substitute a hydroxyl in the molecule C=CCNC(=O)c1cnc(SC)nc1Nc1cccc(C(C)(C)O)n1 with a nitro.,C=CCNC(=O)c1cnc(SC)nc1Nc1cccc(C(C)(C)NO)n1
DelComponent,Remove a amide from the molecule CN(CC(=O)NCCS(=O)(=O)N1CCOCC1)S(=O)(=O)c1ccc(Br)cc1.,CN(CCS(=O)(=O)N1CCOCC1)S(=O)(=O)c1ccc(Br)cc1
LogP,Modify the molecule CCC12C=CCN(Cc3ccccc3)C(=O)C1C1C(=O)N(CCCCCCO)C3C(=O)N(c4ccccc4Cl)CC=CC13O2 to have a higher LogP value.,CCC12C=CC(c3ccccc3)N(Cc3ccccc3)C(=O)C1C1C(=O)N(CCCCCCO)C3C(=O)N(c4ccccc4Cl)CC=CC13O2
MR,Please optimize the molecule CC(C)CC1[NH2+]C(C)(C)CC(C)O1 to have a higher MR value.,CC(C)CC1[NH2+]C(C)(CC(=O)O)CC(C)O1
QED,Modify the molecule CC(C)(C)S(=O)(=O)CCC(N)=[NH+]O to have a higher QED value.,CC(C)(C)S(=O)(=O)CCC(=[NH+])N
AtomNum,"The molecule contains 13 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 bromine atoms.",CC1(NC(=O)c2ccc(Br)cc2Br)CCCOC1
BondNum,"There is a molecule composed of 12 single bonds, 5 rotatable bonds, and 24 aromatic bonds.",Cc1cc(O)ccc1N(c1ccc(O)cc1C)c1ccccc1Oc1c(C)ccc(O)c1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfone group.",Cc1nncn1CCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1
AddComponent,Please add a benzene ring to the molecule CN(Cc1ccccc1C#CC[NH3+])C(=O)C1CCC(=O)N1.,CN(Cc1ccccc1C#CC[NH3+])C(=O)C1(c2ccccc2)CCC(=O)N1
SubComponent,Please substitute a halo in the molecule COC(=O)c1nc(C)cc(Oc2c(C)cc(Br)cc2N)n1 with a nitrile.,COC(=O)c1nc(C)cc(Oc2c(C)cc(C#N)cc2N)n1
DelComponent,Remove a amine from the molecule CCN(CC)C(=O)c1ccc(Nc2ccc(C(C)C)cc2)nn1.,CCN(CC)C(=O)c1ccc(-c2ccc(C(C)C)cc2)nn1
LogP,Please optimize the molecule CCCCOCC1OC(S)C(OCCCC)C1O[N+](=O)[O-] to have a lower LogP value.,CCCCOCC1OC(O)C(OCCCC)C1O[N+](=O)[O-]
MR,Modify the molecule COC(=O)C1C2CN(c3cccc(Br)n3)C1CO2 to decrease its MR value.,COC(=O)C1C2CN(c3cccc(C#N)n3)C1CO2
QED,Please modify the molecule Cc1ccc(NN=C(C(=O)NN)S(=O)(=O)c2ccc(Cl)cc2)cc1 to decrease its QED value.,Cc1ccc(NN=C(C(=O)NN)S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccccc1
AtomNum,"Please generate a molecule with 22 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",O=C(CCNC(=O)C(F)(F)F)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1
BondNum,"There is a molecule with 19 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CC(c1ccc(F)cc1)N1CCCC(CCOC(N)=O)(c2ccc(F)cc2F)OC1=O
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, 1 amine group, and 2 nitro groups.",O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1
AddComponent,Add a thiol to the molecule COC1Cc2ccccc2C1Nc1ncnc(NC2CC(C)C(O)C2O)n1.,COC1Cc2ccccc2C1Nc1ncnc(NC2CC(C)(S)C(O)C2O)n1
SubComponent,Substitute a hydroxyl in the molecule O=C(NO)c1ccc(N(C(=O)c2cccc3ccccc23)c2ccccc2)s1 with a nitro.,ONNC(=O)c1ccc(N(C(=O)c2cccc3ccccc23)c2ccccc2)s1
DelComponent,Please remove a halo from the molecule Cc1c(Cl)nc(Br)c2ccccc12.,Cc1cnc(Br)c2ccccc12
LogP,Please optimize the molecule CC(O)C(=O)NC(C)C1([NH+]2CCOCC2)CCCC1 to have a higher LogP value.,CCC(=O)NC(C)C1([NH+]2CCOCC2)CCCC1
MR,Modify the molecule COC(C)OCC[NH+](CCOC(C)OC)CCOC(C)OC to increase its MR value.,COC(C)OCC[NH+](CCOC(C)OC)CCOC(CN)OC
QED,Please modify the molecule C[NH+]1CC(N2CC(C(=O)N3CCC(c4ccon4)CC3)CC2=O)C1 to increase its QED value.,C[NH+]1CC(CCC(=O)N2CCC(c3ccon3)CC2)C1
AtomNum,"The molecule consists of 16 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CCCCN(C)C(=O)c1ccc(NCc2cccnc2)nn1
BondNum,"Please generate a molecule with 16 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",O=C(c1csc(-c2ncn[nH]2)n1)N1CC[NH+](C2CCCCC2)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 nitrile group.",CCN(Cc1ccc(N(C)C)cc1)c1cccc(C#N)n1
AddComponent,Add a hydroxyl to the molecule COc1cc(-c2nnc(SCCOc3ccccc3)n2C2CCCCC2)cc(OC)c1OC.,COc1cc(-c2nnc(SCCOc3ccccc3)n2C2(O)CCCCC2)cc(OC)c1OC
SubComponent,Substitute a thiol in the molecule CC(C)CCCC(C)C1CCC2C3CC=C4CC(S)CCC4(C)C3CCC12C with a hydroxyl.,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
DelComponent,Remove a amide from the molecule Cc1cc(C(=O)Nc2cc(F)ccc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cc(C(=O)N3CCCC(C)C3)ccc2C)CC1.,Cc1cc(C(=O)Nc2cc(F)ccc2F)ccc1NC(=O)C[NH+]1CC2CCCC(C(=O)Nc3cc(C(=O)N4CCCC(C)C4)ccc3C)C2C1
LogP,Please modify the molecule CC(CN(C)C(=O)CCc1ccc2c(c1)OCO2)C(=O)[O-] to decrease its LogP value.,CC(CN(C)C(=O)CCc1ccc2c(c1O)OCO2)C(=O)[O-]
MR,Modify the molecule O=C([O-])C1CCC[NH+]1C(c1cccc2ccccc12)c1cccc2ccccc12 to increase its MR value.,O=C([O-])C1CCC[NH+]1C(c1cccc2ccccc12)c1cccc2c(S)cccc12
QED,Modify the molecule CC=C(C)C=CC1=NCc2c(C)c(F)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)c21 to have a higher QED value.,CC=C(C)C=CC1=NCc2c(C)c(C(=O)[OH])c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)c21
AtomNum,"There is a molecule consisting of 9 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COC(=O)CCNC(=O)c1ccnnc1
BondNum,"Please generate a molecule composed of 9 single bonds, 2 double bonds, 6 rotatable bonds, and 25 aromatic bonds.",CC(F)(F)c1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccco2)c2sccc23)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 amine group, 2 halo groups, and 1 sulfone group.",NC(=O)c1ccc(S(=O)(=O)NCC(F)(F)CO)cc1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCOC3=O)cc2)cc1.,COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CC(O)OC3=O)cc2)cc1
SubComponent,Substitute a halo in the molecule FC(F)(F)c1ccc(-c2nnn(Cc3nn[n-]n3)n2)cc1 with a thiol.,FC(F)(S)c1ccc(-c2nnn(Cc3nn[n-]n3)n2)cc1
DelComponent,Please remove a halo from the molecule C=CCn1c(C)nnc1SCCC(=O)Nc1cccc(Br)c1.,C=CCn1c(C)nnc1SCCC(=O)Nc1ccccc1
LogP,Modify the molecule CC(=O)c1ccc(N(Cc2noc(-c3ccccc3Cl)n2)S(C)(=O)=O)cc1 to have a lower LogP value.,CC(=O)c1ccc(N(Cc2noc(-c3ccccc3)n2)S(C)(=O)=O)cc1
MR,Modify the molecule CCOc1c(Br)cc(C[NH2+]C2CCSCC2)cc1Br to have a lower MR value.,CCOc1ccc(C[NH2+]C2CCSCC2)cc1Br
QED,Please modify the molecule CCc1c(NC(=O)NCc2ccc(F)c(CO)c2)cnn1CC(C)C to decrease its QED value.,CC(=O)c1ccc(CNC(=O)Nc2cnn(CC(C)C)c2CC)cc1CO
AtomNum,"The molecule consists of 22 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CCCCCCCNC(=O)Oc1nnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1
BondNum,"The molecule is composed of 5 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",CN(C)c1ccc(C=Nc2ccccc2)o1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 ester group, 1 amide group, 1 amine group, and 1 halo group.",COC(=O)c1ccc(Cl)c(Nc2nccc(C(=O)Nc3ccccc3)n2)c1
AddComponent,Please add a amine to the molecule O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)C12CC3CC(CC(C3)C1)C2.,NC1C2CC3CC1CC(C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1)(C3)C2
SubComponent,Substitute a halo in the molecule Cc1ncc(C(=O)N2CCC(O)(Cn3cnc4c(cnn4-c4ccc(OC5CCC(F)(F)CC5)cc4)c3=O)CC2)o1 with a aldehyde.,CC(=O)C1(F)CCC(Oc2ccc(-n3ncc4c(=O)n(CC5(O)CCN(C(=O)c6cnc(C)o6)CC5)cnc43)cc2)CC1
DelComponent,Remove a benzene ring from the molecule COc1ccc(CCNC(=O)N2CCOCC2C)cc1.,COCCNC(=O)N1CCOCC1C
LogP,Please optimize the molecule CCC(C)C(C)C1CCCC1O to have a higher LogP value.,CCC(C)C(C)C1CCCC1
MR,Please optimize the molecule CC(C)n1cc(-c2ccc3nc(N)sc3c2)cn1 to have a lower MR value.,CC(C)n1cc(-c2ccc3ncsc3c2)cn1
QED,Modify the molecule O=C(NCC(O)C1CC1)C1CCn2cc[nH+]c2C1 to have a higher QED value.,O=C(NCCC1CC1)C1CCn2cc[nH+]c2C1
AtomNum,"The molecule has 34 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CSCCC([NH3+])C(=O)Nc1cc(C(C)C)c(OS(=O)(=O)[N-]C(=O)Cc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
BondNum,"There is a molecule composed of 9 single bonds, 4 double bonds, 7 rotatable bonds, and 28 aromatic bonds.",O=C(N=Nc1c(O)[nH]c2ccccc12)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
FunctionalGroup,The molecule is composed of and 2 amide groups.,O=C1CC(C(=O)NCCC[NH+]2CCCCCC2)c2ccccc2N1
AddComponent,Please add a benzene ring to the molecule CC1CSCC1NC(=O)CC[NH3+].,CC1CSC(c2ccccc2)C1NC(=O)CC[NH3+]
SubComponent,Please substitute a CC(=O)NC1CCN(c2nc(NCc3cnc4ccccc4c3)c3cn(C(C)C)c(O)c3n2)C1 in the molecule hydroxyl with a thiol.,CC(=O)NC1CCN(c2nc(NCc3cnc4ccccc4c3)c3cn(C(C)C)c(S)c3n2)C1
DelComponent,Please remove a hydroxyl from the molecule CC(=O)CC(O)C[P+](C)(C)C.,CC(=O)CCC[P+](C)(C)C
LogP,Modify the molecule CCNC(NC1CCC(SC)C1)=[NH+]Cc1ccnc(N2CC[NH+](C)CC2)c1 to increase its LogP value.,CCNC(NC1CCC(SCc2ccccc2)C1)=[NH+]Cc1ccnc(N2CC[NH+](C)CC2)c1
MR,Optimize the molecule CN(C)c1cc(NC(=O)N(C)C2CC[NH+]3CCOC2C3)[nH+]cc1Br to have a lower MR value.,CN(C)c1cc(NC(=O)N(C)C2CC[NH+]3CCOC2C3)[nH+]cc1S
QED,Please optimize the molecule CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COC1OC(CS(=O)(=O)[O-])C(O)C(O)C1O to have a lower QED value.,CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COC1OC(CS(=O)(=O)[O-])C(S)C(O)C1O
AtomNum,"The molecule consists of 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",[NH3+]C1(COCc2ccn(C3CCCC3)n2)CCCCCC1
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",Cc1cccc(N(C)C(=O)N2CCC(C)CC2)c1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, 1 amide group, 2 amine groups, 2 thioether groups, and 1 sulfide group.",CCSCC(C)NC(=O)C1(C(N)=[NH+]O)CCCC1
AddComponent,Modify the molecule Cc1ncc(-c2cccc(-c3ncc(C(C=NCC(=O)N4CCCC4)=C[NH3+])cn3)c2)s1 by adding a aldehyde.,Cc1ncc(-c2cccc(-c3ncc(C(=C[NH3+])C(CC=O)=NCC(=O)N4CCCC4)cn3)c2)s1
SubComponent,Substitute a hydroxyl in the molecule COc1ccccc1-c1nnc(SCCCO)o1 with a nitro.,COc1ccccc1-c1nnc(SCCCNO)o1
DelComponent,Modify the molecule CCOc1ccc(C2=C([O-])C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 by removing a halo.,CCOc1ccc(C2=C([O-])C(=O)N(c3ccc(Cl)c(C(F)F)c3)C2=O)cc1
LogP,Optimize the molecule CC(NC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(C(N)=O)on1 to have a higher LogP value.,CC(c1cc(C(N)=O)on1)C1C2CC3CC(C2)C1C3
MR,Modify the molecule Cn1c(C2(C)CCC2)nc2ccc(Br)cc21 to decrease its MR value.,Cn1c(C2(C)CCC2)nc2ccc(NO)cc21
QED,Please optimize the molecule CCOC(=O)c1nnc(-c2cc(C)c(F)cc2F)o1 to have a lower QED value.,CCOC(=O)c1nnc(-c2c(F)cc(F)c(C)c2-c2ccccc2)o1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCCC(O)C([NH3+])Cc1ccccc1
BondNum,"The molecule is composed of 11 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCc1cccc(C(=O)NCCn2c(C(C)C)n[nH]c2=S)c1O
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 hydroxyl group, and 1 amide group.",CN(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)N(Cc1ccc(-c2ccccn2)cc1)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12
AddComponent,Add a aldehyde to the molecule COCc1cccc(CC(=O)NC(C)c2oc3ccccc3c2C)c1.,COCc1ccc(CC=O)c(CC(=O)NC(C)c2oc3ccccc3c2C)c1
SubComponent,Please substitute a Cc1noc(-c2ccnc(NCC(C)(O)CCC(C)C)c2)n1 in the molecule hydroxyl with a nitrile.,Cc1noc(-c2ccnc(NCC(C)(C#N)CCC(C)C)c2)n1
DelComponent,Remove a CC(C)(C)Oc1ccccc1OC1C=CCCC1 from the molecule benzene ring.,CC(C)(C)OOC1C=CCCC1
LogP,Modify the molecule C=CCc1ccc(OCC(=O)NCC(=O)N(CC)Cc2ccccc2)c(OC)c1 to increase its LogP value.,C=CCc1ccc(OCC(=O)NCC(=O)N(CC)Cc2cccc(-c3ccccc3)c2)c(OC)c1
MR,Please modify the molecule [NH3+]CC(Nc1ncnc2ccccc12)C1CC1 to increase its MR value.,[NH3+]CC(Nc1ncnc2ccccc12)C1CC1O
QED,Please optimize the molecule Cc1ccsc1C=C1Oc2c(cc3c(c2C)OC[NH+](C2CCCCC2)C3)C1=O to have a lower QED value.,Cc1ccsc1C=C1Oc2c(cc3c(c2C)OC[NH+](C2CCCC(N)C2)C3)C1=O
AtomNum,"The molecule is composed of 25 carbon atoms, 6 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",C[NH+]1CCC2(CC1)CC(CCNc1cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc1N)C2
BondNum,"The molecule consists of 8 single bonds, 3 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",CS(=O)(=O)c1ccc(CNC(=O)c2cccc(-n3cnc(Br)c3)n2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amide groups, and 2 halo groups.",CCOc1ccccc1C(=O)NCCCC(=O)N1CCCc2cc(F)cc(F)c21
AddComponent,Add a carboxyl to the molecule CCOC(=O)CC(O)C[NH+](CC)C(C)COC.,CCOC(=O)CC(O)(C[NH+](CC)C(C)COC)C(=O)O
SubComponent,Modify the molecule C=CC(=O)OCC[Si](C)(Cl)Cl by substituting a halo with a carboxyl.,C=CC(=O)OCC[Si](C)(Cl)C(=O)[OH]
DelComponent,Please remove a amide from the molecule CCOCCCN(CC(F)(F)F)C(=O)C1CCCC[NH2+]1.,CCOCCC(CC(F)(F)F)C1CCC[NH2+]1
LogP,Optimize the molecule CC(C)(C)OC(=O)NNC1CCC(NC(=O)OCc2ccccc2)CC1 to have a higher LogP value.,CC(C)(C)OC(=O)NC1CCC(NC(=O)OCc2ccccc2)CC1
MR,Modify the molecule O=[Si](O[SiH3])OCC(O)CO to have a lower MR value.,CC(O)CO[Si](=O)O[SiH3]
QED,Modify the molecule Cc1cc(C(F)(F)F)nn1CCC(=O)NC(C)c1ccccc1 to have a lower QED value.,Cc1cc(C(F)(F)F)nn1CC(C)c1ccccc1
AtomNum,"There is a molecule composed of 23 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",O=C1c2ccccc2C(=O)c2c1ccc1c2ncn2c(-c3ccccc3)nnc12
BondNum,"There is a molecule with 18 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",Cc1nc(C[NH+]2CCN(C(=O)c3sc(C4CCCC4)nc3C)CC2)no1
FunctionalGroup,Please generate a molecule consisting and 1 amine group.,CC1CCCC(N)(C[NH2+]CCCC2CC2)C1
AddComponent,Please add a carboxyl to the molecule Cn1c(=O)c2ccccc2n2c(SCC(=O)N3N=C(c4ccco4)CC3c3cccs3)nnc12.,Cn1c(=O)c2ccccc2n2c(SCC(=O)N3N=C(c4cc(C(=O)O)co4)CC3c3cccs3)nnc12
SubComponent,Substitute a thiol in the molecule CCCCCCN=C1C(S)=CN[NH2+]N1S with a halo.,CCCCCCN=C1C(F)=CN[NH2+]N1S
DelComponent,Modify the molecule Oc1ccc2nc(C3COc4ccccc4O3)[nH]c2c1 by removing a hydroxyl.,c1ccc2c(c1)OCC(c1nc3ccccc3[nH]1)O2
LogP,Please optimize the molecule Cc1oc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 to have a lower LogP value.,CC(=O)c1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)o2)cc1Cl
MR,Modify the molecule CC(C)(C)c1ccccc1COc1ccc(N)cn1 to decrease its MR value.,CC(C)(C)c1ccccc1COc1ccccn1
QED,Optimize the molecule C[NH2+]Cc1cc(NC(=O)OCC(C)c2ccc(C(Nc3ccc4[nH]cnc(=O)c4c3)C(=O)[O-])cc2)ccc1S(=O)(=O)C1CC1 to have a higher QED value.,C[NH2+]Cc1cc(NC(=O)OCC(C)c2ccc(C(C(=O)[O-])c3ccc4[nH]cnc(=O)c4c3)cc2)ccc1S(=O)(=O)C1CC1
AtomNum,"There is a molecule with 21 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCN(CC)c1ccc(C=C2N=C(c3ccccc3)OC2=O)c(OC)c1
BondNum,"There is a molecule consisting of 9 single bonds, 2 double bonds, 5 rotatable bonds, and 10 aromatic bonds.",CCOC(=O)C([NH2+]C)c1nc2ccc([N+](=O)[O-])cc2s1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, and 1 amide group.",O=C([O-])c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1
AddComponent,Please add a hydroxyl to the molecule Cn1ncc(CNc2ccc(F)cc2C#N)c1N.,Cn1ncc(CNc2c(O)cc(F)cc2C#N)c1N
SubComponent,Modify the molecule halo by substituting a O=C(c1ccc(CNNCc2cccc(C(=O)C(F)(F)F)c2)cc1)C(F)(F)F with a hydroxyl.,O=C(c1cccc(CNNCc2ccc(C(=O)C(F)(F)F)cc2)c1)C(O)(F)F
DelComponent,Modify the molecule COCCNc1ncc(-c2ccc(OC)c(Br)c2)s1 by removing a amine.,COCCc1ncc(-c2ccc(OC)c(Br)c2)s1
LogP,Modify the molecule Cc1noc(C)c1C[NH+]1CCN(C(=O)c2nc3nccc(C)n3n2)CC1 to increase its LogP value.,Cc1noc(C)c1C[NH+]1CCC(n2n3c(C)ccnc3n-2)C1
MR,Please modify the molecule Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)NC(C)C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4C)CC3)c2C)c(F)c1 to increase its MR value.,Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)NC(C)C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4C)CC3)c2C)c(C#N)c1
QED,Modify the molecule Cc1noc(C)c1COc1cccc(C(=O)NC(C)C[NH+]2CC(C)CC(C)C2)c1 to decrease its QED value.,Cc1noc(C)c1COc1cccc(C(=O)NC(C)(N)C[NH+]2CC(C)CC(C)C2)c1
AtomNum,"Please generate a molecule composed of 35 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",COC(=O)c1ccc2c(-c3nc4ccc(C(=O)N(CCC(C)C)CCC(C)C)cc4n3CCC[NH+]3CCCC3)c[nH]c2c1
BondNum,"Please generate a molecule composed of 11 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",O=S(=O)(NCCNc1cc(Cl)nc(C2CC2)n1)c1ccccc1
FunctionalGroup,Please generate a molecule with and 1 halo group.,[NH3+]C1(c2nc3ccc(Cl)cc3o2)CCCC1
AddComponent,Add a hydroxyl to the molecule Cn1cncc1C(NN)c1ccc(Cl)cc1F.,Cn1c(C(NN)c2ccc(Cl)cc2F)cnc1O
SubComponent,Please substitute a hydroxyl in the molecule O=C(NO)c1nc(-c2cccnc2)sc1C1CCCCO1 with a nitrile.,N#CNC(=O)c1nc(-c2cccnc2)sc1C1CCCCO1
DelComponent,Modify the molecule CC(=O)Nc1ccc(O)c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 by removing a amide.,CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccccc1O
LogP,Please optimize the molecule CC1(C)CCC[NH2+]C1C(=O)Nc1ccc(I)cc1 to have a higher LogP value.,CC1(C)CCC(c2ccccc2)[NH2+]C1C(=O)Nc1ccc(I)cc1
MR,Please optimize the molecule CCCc1cc(N(C)C2CCCC2C[NH3+])ncn1 to have a higher MR value.,CN(c1cc(CCCc2ccccc2)ncn1)C1CCCC1C[NH3+]
QED,Please optimize the molecule Fc1cccc(Sc2nc(Cl)nc(-n3cncn3)n2)c1 to have a higher QED value.,FSc1nc(Cl)nc(-n2cncn2)n1
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 fluorine atoms.",CCC1C(=O)NC(=O)C[NH+]1CC(=O)c1ccc(F)c(F)c1
BondNum,"The molecule has 13 single bonds, 2 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCc1cccc(CC)c1NC(=O)CSc1n[nH]c(=O)n1C1CC1
FunctionalGroup,"The molecule contains 4 benzene ring groups, and 2 sulfide groups.",Cc1ccccc1N(c1ccc2sc3ccccc3c2c1)c1c(C)cc(-c2cc(C)c(N(c3ccc4sc5ccccc5c4c3)c3ccccc3C)c(C)c2)cc1C
AddComponent,Add a benzene ring to the molecule C=CCc1occ(C)c1CC(C)C.,C=CCc1occ(C)c1C(c1ccccc1)C(C)C
SubComponent,Modify the molecule halo by substituting a O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCC1CC1 with a nitrile.,N#Cc1ccc(-c2noc(CCCC(=O)NCC3CC3)n2)cc1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(C=CC(=O)N2CCC(Oc3cnccn3)C2)cc1.,COC=CC(=O)N1CCC(Oc2cnccn2)C1
LogP,Please modify the molecule C=C(C)C#C[Si](C)(c1ccccc1)c1ccccc1 to decrease its LogP value.,C=C(C)C#C[Si](C)c1ccccc1
MR,Please optimize the molecule O=C(NC1CC2CCC(C1)N2S(=O)(=O)N1CC2CCC(C1)[NH+]2CCO)c1cc(C2CC2)on1 to have a lower MR value.,CC[NH+]1C2CCC1CN(S(=O)(=O)N1C3CCC1CC(NC(=O)c1cc(C4CC4)on1)C3)C2
QED,Modify the molecule CCC(CC)(CO)CNC(=O)c1n[nH]c2c1C[NH2+]CC2 to have a lower QED value.,CCC(CO)(CNC(=O)c1n[nH]c2c1C[NH2+]CC2)C(C)O
AtomNum,"The molecule has 28 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 fluorine atoms.",CC(C)(C)CC(C)(C)c1ccc(-c2ccc(C(=O)Oc3cc(F)c(C#N)c(F)c3)cc2)cc1
BondNum,"Please generate a molecule composed of 11 single bonds, 2 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",O=C(NCC1(CCO)CCC1)c1csc(=O)[nH]1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",C=C(C)COc1ccc(C(=O)NCC[NH+](C)C)cc1
AddComponent,Modify the molecule CC(C)C(CC[NH3+])c1ccc2c(c1)COCC2 by adding a nitrile.,CC(C)C(CC[NH3+])c1cc2c(cc1C#N)CCOC2
SubComponent,Please substitute a hydroxyl in the molecule O=C(CCc1nc(-c2cccs2)no1)NCC1C[NH2+]CC1O with a thiol.,O=C(CCc1nc(-c2cccs2)no1)NCC1C[NH2+]CC1S
DelComponent,Please remove a hydroxyl from the molecule OCC#Cc1ccsc1CSc1ccc2c(c1)CCC2.,CC#Cc1ccsc1CSc1ccc2c(c1)CCC2
LogP,Modify the molecule CC(C)Oc1nc(NC2(C)CCC2)ccc1N to have a higher LogP value.,CC(C)Oc1nc(C2(C)CCC2)ccc1N
MR,Modify the molecule FC(F)CSC(I)CS to have a lower MR value.,N#CCC(I)SCC(F)F
QED,Please optimize the molecule CSC1CCC(NC(=O)C(C)(N)C(F)(F)F)CC1 to have a lower QED value.,CSC1CCC(NC(=O)C(C)(N)C(F)(F)C#N)CC1
AtomNum,"There is a molecule composed of 10 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC(O)CNN=C1CCCCCC1
BondNum,"Please generate a molecule with 16 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(NCC(O)COC2CCCC(C)C2)c(C)c1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ketone group, and 3 halo groups.",CCN(c1cc(OC)cc(OC)c1)c1cc(N2CC[NH2+]CC2)ccc1C(=O)C(F)(F)F
AddComponent,Add a hydroxyl to the molecule CCCCCCCCCC(=O)C1C(=O)N(C(=O)Nc2ccccc2)c2ccc(Br)cc21.,CCC(O)CCCCCCC(=O)C1C(=O)N(C(=O)Nc2ccccc2)c2ccc(Br)cc21
SubComponent,Substitute a COc1ccc(CNc2nc(Cl)ncc2N)cn1 in the molecule halo with a nitro.,COc1ccc(CNc2nc(NO)ncc2N)cn1
DelComponent,Remove a CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1C from the molecule halo.,CCC(C)NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cc(C(F)F)ccc3Cl)CC2)c1C
LogP,Optimize the molecule Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NC(=O)CCC(=O)OC3CN(n4on4OC(C)N4C(=O)c5ccccc5C4=O)C3)cc2)cc1 to have a higher LogP value.,Cc1ccc(-c2c(-c3ccccc3)c(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NC(=O)CCC(=O)OC3CN(n4on4OC(C)N4C(=O)c5ccccc5C4=O)C3)cc2)cc1
MR,Modify the molecule CC(C)Cn1nc(OCc2ccccc2Cl)c(C#N)c1N to have a higher MR value.,CC(=O)c1c(OCc2ccccc2Cl)nn(CC(C)C)c1N
QED,Modify the molecule CCCCC1(C)NC(=O)N(CC(=O)OCc2ccc(Cl)c(Cl)c2)C1=O to decrease its QED value.,CCCCC1(C)NC(=O)N(CC(=O)OCc2ccc(C(=O)[OH])c(Cl)c2)C1=O
AtomNum,"The molecule is composed of 13 carbon atoms, 4 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, 1 chlorine atom, and 1 bromine atom.",Fc1cc(Cl)c(-n2c(-c3ccncc3)n[nH]c2=S)c(Br)c1
BondNum,"The molecule has 18 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",O=C(CCC1CCOCC1)NC1CCCN(c2ccccc2)C1=O
FunctionalGroup,"The molecule is composed of 2 hydroxyl groups, 2 amine groups, and 1 sulfone group.",Nc1ccc2cc(C(O)CS(=O)(=O)CC(O)c3ccc4cc(N)ccc4c3)ccc2c1
AddComponent,Modify the molecule COCC(C)(O)C1CC1(C)C by adding a benzene ring.,COCC(C)(O)C1CC1(C)Cc1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule CC1CCN(C(=O)NC2CCCC2C(N)=[NH+]O)CC1 with a thiol.,CC1CCN(C(=O)NC2CCCC2C(N)=[NH+]S)CC1
DelComponent,Modify the molecule benzene ring by removing a CC(C)(C)[Si](CC1C=C(c2ccccc2)C(C(=O)c2ccccc2)C1)(c1ccccc1)c1ccccc1.,CC(C)(C)[Si](CC1C=C(c2ccccc2)C(C(=O)c2ccccc2)C1)c1ccccc1
LogP,Modify the molecule Cc1ccc(CN(C)c2nc(NN)nc3[nH]ncc23)cc1 to have a higher LogP value.,Cc1ccc(CN(C)c2nc(N)nc3[nH]ncc23)cc1
MR,Optimize the molecule CC(C)C1C[NH2+]C2(CCCC2)CN1c1ccc(Cl)cc1Br to have a higher MR value.,CC(C)C1C[NH2+]C2(CCCC2)CN1c1ccc(C(=O)[OH])cc1Br
QED,Please modify the molecule O=C(NCC(F)(F)F)OC1(CCCC[NH+]2CCN(C(=O)C(=O)c3cccc(Cl)c3)CC2)c2ccccc2-c2ccccc21 to decrease its QED value.,O=C(NCC(O)(F)F)OC1(CCCC[NH+]2CCN(C(=O)C(=O)c3cccc(Cl)c3)CC2)c2ccccc2-c2ccccc21
AtomNum,"The molecule consists of 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1nc2cc3c(cc2n1CC(C)C#N)OCCO3
BondNum,"The molecule contains 6 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)N(O)c1cc(F)cc(F)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ester group, and 2 halo groups.",C=CC1CCOC(=O)C1c1ccc(F)c(F)c1
AddComponent,Add a amine to the molecule Cc1cccc(C)c1C(=O)Nc1cc(N)ccc1Cl.,Cc1cccc(C)c1C(=O)Nc1cc(N)c(N)cc1Cl
SubComponent,Substitute a halo in the molecule Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)sc1C with a nitrile.,Cc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)c(C)s2)sc1C
DelComponent,Remove a amide from the molecule O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1nnc2ccccn12.,Clc1ccccc1-c1cnc(CCc2nnc3ccccn23)o1
LogP,Modify the molecule CCCc1nc2ccccn2c1C(=O)NCc1ccccc1 to have a lower LogP value.,CCCc1nc2ccccn2c1C(=O)NC
MR,Modify the molecule CCC1C[NH2+]C(C)(C)CN1c1cccc(OC(F)(F)F)c1 to increase its MR value.,CCC1C[NH2+]C(C)(C)CN1c1cccc(OC(F)(F)C#N)c1
QED,Please optimize the molecule CCC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 to have a higher QED value.,CCC(C(=O)NC1CCCC1)C(Cc1ccccc1)c1ccc(Cl)c(Cl)c1
AtomNum,"There is a molecule with 16 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)[NH+]1CCCC1c1cccnc1N1CCOCC1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)(C#N)COc1ccc(C(C)(C)C)cc1
FunctionalGroup,The molecule is composed of and 3 halo groups.,COC(Cl)COc1cc2nncc(Cl)c2cc1Br
AddComponent,Modify the molecule O=C(Nc1ccc(N2CCCC2=O)c(F)c1)C1CCc2cccnc21 by adding a carboxyl.,O=C(Nc1ccc(N2C(=O)CCC2C(=O)O)c(F)c1)C1CCc2cccnc21
SubComponent,Modify the molecule Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(CO)cc3O)n2)c(C)c1 by substituting a hydroxyl with a aldehyde.,CC(=O)Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1
DelComponent,Modify the molecule [NH3+]Cc1noc(C2CCC(F)(F)C2)n1 by removing a halo.,[NH3+]Cc1noc(C2CCC(F)C2)n1
LogP,Modify the molecule O=C(NC(Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1)c1cccs1 to increase its LogP value.,O=C(NC(Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1-c1ccccc1)c1cccs1
MR,Optimize the molecule CCC(C)c1ccccc1NC(=S)Nc1ccc(F)cc1 to have a higher MR value.,CCC(C)c1ccccc1NC(=S)Nc1ccccc1
QED,Modify the molecule CC(=O)CCN(CC(=O)[O-])C(=O)CCCCCCCCCCCCCCCCC(=O)[O-] to have a higher QED value.,CC(=O)CCC(CCCCCCCCCCCCCCC(=O)[O-])CC(=O)[O-]
AtomNum,"The molecule contains 19 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCn1nnc2ccc(-c3noc(CCc4cccc(OC)c4)n3)cc21
BondNum,"There is a molecule consisting of 18 single bonds, 13 rotatable bonds, and 6 aromatic bonds.",CCCCOC(C)OC(C)OC(C)OC(C)ONc1ccccc1
FunctionalGroup,The molecule contains and 1 amide group.,CC(Oc1cccc2c1CCCC2)C(=O)NC1CC(C)(C)Oc2ccccc21
AddComponent,Modify the molecule CCSCC([NH3+])C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(C)=O)C(C)CC)C(C)SC)C(C)SC)C(C)C by adding a benzene ring.,CCSCC([NH3+])C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(C)=O)C(C)C(C)c1ccccc1)C(C)SC)C(C)SC)C(C)C
SubComponent,Modify the molecule Cc1ccc(N(CC(=O)Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 by substituting a halo with a thiol.,Cc1ccc(N(CC(=O)S)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1
DelComponent,Remove a CC(C)(C)OC(=O)N1CCC(OCc2ccccc2)CC1C(N)=[NH+]O from the molecule amine.,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2)CC1C(N)O
LogP,Please modify the molecule CC(C)N1C(=O)C(=O)NC1=[N+]=C(NC(=O)OCCOCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 to decrease its LogP value.,CC(C)N1C(=O)C(=O)NC1=[N+]=C(NC(=O)OCCOCc1ccccc1)Nc1ccc(O)c(Cl)c1
MR,Modify the molecule O=C(Nc1ccccn1)c1ccc([N+](=O)[O-])c(F)c1 to have a higher MR value.,O=[SH]c1ccc(C(=O)Nc2ccccn2)cc1F
QED,Please optimize the molecule C#Cc1cccc(N(CCS(=O)(=O)c2ccccc2)C(=O)C(Cl)Cl)c1 to have a lower QED value.,C#Cc1ccc(N)c(N(CCS(=O)(=O)c2ccccc2)C(=O)C(Cl)Cl)c1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COC(=O)C1COCCN1C(=O)N1CCC(C)CC1
BondNum,"Please generate a molecule consisting 17 single bonds, 3 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",COc1ccc(C)cc1NC(=O)N1CC2CC(NS(=O)(=O)c3cccs3)C1C2
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ketone group, 1 amide group, 1 amine group, and 1 sulfone group.",CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2c2ccncc2)c(OCC)c1
AddComponent,Please add a benzene ring to the molecule [NH3+]C(c1ccccc1)C(NS(=O)(=O)c1c(-c2ccccc2)cccc1-c1ccccc1)c1ccccc1.,[NH3+]C(c1ccccc1)C(NS(=O)(=O)c1c(-c2ccccc2)cccc1-c1ccccc1)c1ccccc1-c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule COC(=O)c1cc(C[NH2+]CC(C)C)ccc1O with a nitrile.,COC(=O)c1cc(C[NH2+]CC(C)C)ccc1C#N
DelComponent,Remove a amine from the molecule NS(=O)(=O)c1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1.,O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCc1ccc([SH](=O)=O)cc1
LogP,Modify the molecule Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)N1CCN(c2ccccc2)CC1 to decrease its LogP value.,Cc1cc(-c2nnco2)c(C)n1CC(=O)N1CCN(c2ccccc2)CC1
MR,Please modify the molecule CCCCCCNS(=O)(=O)c1cc(C[NH2+]C)n(C2CC2)c1 to decrease its MR value.,CCCCCCS(=O)(=O)c1cc(C[NH2+]C)n(C2CC2)c1
QED,Please optimize the molecule Cc1ccc2occ(CN(Cc3ccccc3)C(=O)CN(CCC(C)C)C(=O)COc3ccccc3)c(=O)c2c1 to have a higher QED value.,Cc1ccc2occ(CN(C)C(=O)CN(CCC(C)C)C(=O)COc3ccccc3)c(=O)c2c1
AtomNum,"The molecule consists of 35 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(C)c1ccc2c(c1)C(=N)CC1C(C)(C(=O)NC(Cc3ccccc3)C(=O)Nc3ccccc3)CCCC21C
BondNum,"Please generate a molecule with 3 single bonds, 1 rotatable bond, and 16 aromatic bonds.",Cc1ccc2cc(-c3ccc(N)nc3)sc2c1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 3 amide groups.",CCOc1ccc(CC(=O)NC2CCCCN(CC(=O)Nc3cccc(C[NH3+])c3)C2=O)cc1
AddComponent,Please add a hydroxyl to the molecule [O-][P+]([O-])([O-])c1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc([P+]([O-])([O-])[O-])c3ccccc23)c2ccccc12.,[O-][P+]([O-])([O-])c1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3O)cc([P+]([O-])([O-])[O-])c3ccccc23)c2ccccc12
SubComponent,Modify the molecule CC(C)(C)Nc1nc(Nc2cccc(Br)c2)cc(-c2ccccn2)n1 by substituting a halo with a thiol.,CC(C)(C)Nc1nc(Nc2cccc(S)c2)cc(-c2ccccn2)n1
DelComponent,Please remove a O=C([O-])c1cccc(Sc2cccc(C(=O)[O-])c2)c1 from the molecule benzene ring.,O=C([O-])Sc1cccc(C(=O)[O-])c1
LogP,Please modify the molecule COc1cccc(OC)c1OCC(=O)NCc1ccc(Cl)cc1Cl to increase its LogP value.,COc1cccc(OC)c1OCc1ccc(Cl)cc1Cl
MR,Optimize the molecule CCC(CC[NH3+])(OCC[NH3+])C(=O)[S-] to have a higher MR value.,CCC(CC[NH3+])(OCC([NH3+])c1ccccc1)C(=O)[S-]
QED,Modify the molecule O=C1NC(C(=O)[O-])C2CCCC12 to have a higher QED value.,O=C([O-])C1NC(=O)C2(c3ccccc3)CCCC12
AtomNum,"Please generate a molecule with 33 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 silicon atom.",CC[Si](CC)(CC)OC(C)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(C#CCSc3nc4ccccc4s3)C(C)C12
BondNum,"The molecule contains 12 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)OC(=O)c1ccccc1OCCC[NH+](C)C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 1 amine group, 1 halo group, and 2 sulfide groups.",O=C(Nc1cccc(Nc2nc(-c3ccccn3)cs2)c1)c1ccc(Cl)s1
AddComponent,Please add a hydroxyl to the molecule COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4c[nH+]c5cc(CCC(C)(C)O)ccn45)c3)no2)C1.,COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4c(O)[nH+]c5cc(CCC(C)(C)O)ccn45)c3)no2)C1
SubComponent,Please substitute a halo in the molecule CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 with a aldehyde.,CC(=O)c1ccc(CN(Cc2ccc(N(CC)CC)cc2OS(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)c2cccc(F)c2)cc1
DelComponent,Remove a amide from the molecule CC(C)C(NC(=O)C([NH2+]Cc1ccccc1)C(O)C(Cc1ccccc1)NC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C)C(=O)NCc1ccccc1.,CC(C)N(Cc1ccccc1)C(=O)C([NH2+]Cc1ccccc1)C(O)C(Cc1ccccc1)NC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C
LogP,Modify the molecule CCc1ccc(-c2nn(C)c(N)c2-c2ccc(Br)cc2)s1 to have a lower LogP value.,CC(=O)c1ccc(-c2c(-c3ccc(CC)s3)nn(C)c2N)cc1
MR,Modify the molecule Cc1ncnc2c1CC(=O)N2C to have a lower MR value.,Cc1cc(C)ncn1
QED,Please optimize the molecule CCC(c1ccccc1O)N(C)c1ccc(C)cc1C to have a lower QED value.,CCC(c1ccccc1O)N(C)c1c(C)cc(C)cc1-c1ccccc1
AtomNum,"The molecule consists of 23 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C
BondNum,"There is a molecule composed of 5 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",COC(=O)Oc1cccc(I)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 1 sulfone group.",COc1cc(NC(=O)CCS(=O)(=O)N2CCCCC2)cc(OC)c1OC
AddComponent,Modify the molecule COc1ccccc1C[NH+](C)CC1(C[NH3+])CCCC(C)C1 by adding a benzene ring.,COc1ccccc1C(c1ccccc1)[NH+](C)CC1(C[NH3+])CCCC(C)C1
SubComponent,Substitute a halo in the molecule Cc1c(NN)nc(C(C)C)nc1Nc1ccc(Br)cc1Cl with a nitrile.,Cc1c(NN)nc(C(C)C)nc1Nc1ccc(C#N)cc1Cl
DelComponent,Please remove a hydroxyl from the molecule C=CC(=O)OCC(O)CC(CC)(CC)Oc1ccc(C(C)c2ccc(OCC(O)CC(C)(CC)OC(=O)C=C)c(C)c2)cc1C.,C=CC(=O)OCC(O)CC(CC)(CC)Oc1ccc(C(C)c2ccc(OCCCC(C)(CC)OC(=O)C=C)c(C)c2)cc1C
LogP,Modify the molecule CCOC(=O)C=C(CC(C)(C)C)c1ccncc1Cl to have a lower LogP value.,CCOC(=O)C=C(CC(C)(C)C)c1ccncc1
MR,Please optimize the molecule CC(C)CCCC([NH3+])c1ccc(Br)cc1 to have a lower MR value.,CC(C)CCCC([NH3+])Br
QED,Modify the molecule CC1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)c1ccco1 to decrease its QED value.,CC1(C(=O)Nc2ccc3c(c2-c2ccccc2)OCO3)CCN1C(=O)c1ccco1
AtomNum,"Please generate a molecule with 39 carbon atoms, 9 oxygen atoms, and 2 nitrogen atoms.",CC(C)Oc1c(C=O)cc(OCc2ccccc2)c2c1CC1CC3C([NH+](C)C)c4onc(OCc5ccccc5)c4C(=O)C3(O)C(=O)C1=C2[O-]
BondNum,"Please generate a molecule composed of 18 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(-c2ccc(Cl)c(F)c2)cc1C1C(=O)C2ON(C)C(C)(C)C2C1=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 halo group.",COc1ccc(Cn2ccc(C(=O)[O-])cc2=O)cc1F
AddComponent,Modify the molecule C=C(CC)CC(=O)C(C)(C)[NH+]1CCOCC1 by adding a benzene ring.,C=C(CC)CC(=O)C(C)(C)[NH+]1CCOCC1c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(C([NH3+])C2COC(C)C2)cc1Cl with a aldehyde.,CC(=O)c1cc(C([NH3+])C2COC(C)C2)ccc1C
DelComponent,Remove a O=C(c1cc(Br)cc2c1OCC2)c1c(Cl)cccc1Cl from the molecule halo.,O=C(c1ccccc1Cl)c1cc(Br)cc2c1OCC2
LogP,Modify the molecule COc1cc(C2C3=CCn4c(=O)n(CCc5nc6cc(OC)c(OC)cc6n(C)c5=O)c(=O)n4C3CC3C(=O)N(Nc4ncc(C(F)(F)F)cc4Cl)C(=O)C32c2ccc(Cl)cc2)ccc1O to increase its LogP value.,CC(=O)c1ccc(C2C3=CCn4c(=O)n(CCc5nc6cc(OC)c(OC)cc6n(C)c5=O)c(=O)n4C3CC3C(=O)N(Nc4ncc(C(F)(F)F)cc4Cl)C(=O)C32c2ccc(Cl)cc2)cc1OC
MR,Please modify the molecule O=C(c1ccc2c(c1)NCC2)c1cccc2cnccc12 to increase its MR value.,O=C(c1cc2c(cc1-c1ccccc1)CCN2)c1cccc2cnccc12
QED,Modify the molecule CC(=O)Nc1c(OCc2ccccc2)ccc2c1N(C)C(C(C)C)C(=O)NC(CO)C2 to increase its QED value.,CC(=O)Nc1c(OCc2ccccc2)ccc2c1N(C)C(CO)(C(C)C)C2
AtomNum,"Please generate a molecule composed of 26 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",COc1ccc2nccc(C3CN(C4CC[NH+](Cc5ccc(C)c(F)c5)CC4)C(=O)O3)c2c1
BondNum,"The molecule consists of 20 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",NC(=O)CCC1CCCN(C(=O)C2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",CC(C)(C(=O)NCC(Cc1ccccc1)C(=O)[O-])C1CCCC1
AddComponent,Please add a hydroxyl to the molecule O=C1C=C(c2ccccc2)OC1C(=O)c1ccccc1.,O=C1C=C(c2ccccc2)OC1C(=O)c1cccc(O)c1
SubComponent,Modify the molecule hydroxyl by substituting a O=C(Nc1cc(O)c(O)c(O)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 with a nitro.,ONc1cc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(O)c1O
DelComponent,Modify the molecule benzene ring by removing a CSc1ccc(C(=O)CCC(=O)OC(C)C(=O)NC(=O)NC(C)C)cc1.,CSC(=O)CCC(=O)OC(C)C(=O)NC(=O)NC(C)C
LogP,Modify the molecule FC(F)(Sc1cccc(CCc2[nH]cc[nH+]2)c1)C1CCCCC1 to have a lower LogP value.,FC(S)(Sc1cccc(CCc2[nH]cc[nH+]2)c1)C1CCCCC1
MR,Please optimize the molecule C=CCN(C(=O)C(CS)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccc2ccccc2c1)c1ccc(O)c(C)c1 to have a lower MR value.,C=CCN(C(=O)C(CS)NC(=O)OC(C)(C)C)C(OC)C(=O)Nc1ccc2ccccc2c1
QED,Please modify the molecule O=CC1CCc2cncn2C1 to increase its QED value.,Nc1ncc2n1CC(C=O)CC2
AtomNum,"There is a molecule with 18 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1ccccc1-c1cc(NC(=O)C2CCC(C)O2)n(CCO)n1
BondNum,"Please generate a molecule consisting 14 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",COC(=O)c1cnc(OC)c(C2(F)CC(OCc3ccccc3)C2)c1
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,C[NH2+]C1(C)CC[NH+](C(c2ccccc2)c2ccco2)CC1
AddComponent,Modify the molecule CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CCC(O)CC4(C)C3CCC12C by adding a hydroxyl.,CC(C)C(C)C(O)C(O)C(C)C1CC(O)C2C3CC(=O)C4CCC(O)CC4(C)C3CCC12C
SubComponent,Substitute a halo in the molecule CCOCCCN1C(=O)C[NH2+]C1c1ccc(F)cc1 with a thiol.,CCOCCCN1C(=O)C[NH2+]C1c1ccc(S)cc1
DelComponent,Remove a amide from the molecule CC(C)C1C(=O)NC1C[Si](C)(C)C.,CC(C)CC[Si](C)(C)C
LogP,Please modify the molecule CC(Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 to decrease its LogP value.,CC(Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(-c2ccccc2)nc2sccn12
MR,Modify the molecule N#Cc1cc2cc(CC(=O)[O-])c(Br)cc2s1 to increase its MR value.,O=C([O-])Cc1cc2cc(C(=O)[OH])sc2cc1Br
QED,Optimize the molecule OCc1cnc(F)c(CBr)c1OC(F)(F)F to have a lower QED value.,OCc1cnc(F)c(C(Br)c2ccccc2)c1OC(F)(F)F
AtomNum,"The molecule is composed of 24 carbon atoms, 4 oxygen atoms, 8 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",COC(=O)C(=C[NH3+])N(N)c1ncc(NC(=O)c2cnn(-c3cccc4c(OC)nccc34)c2C(F)(F)F)cc1Cl
BondNum,"There is a molecule composed of 6 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",NNC(=O)c1ccncc1C(=O)NN
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 1 amide group, and 1 sulfide group.",CC(O)CNC(=O)Cc1csc(CC[NH3+])n1
AddComponent,Modify the molecule CCCc1ncc(C(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])n1 by adding a hydroxyl.,CCCc1ncc(C(=O)c2ccc(C)c(C)c2O)c(C(=O)[O-])n1
SubComponent,Please substitute a halo in the molecule O=C(C[n+]1cccc(O)c1)Nc1c(F)cccc1F with a aldehyde.,CC(=O)c1cccc(F)c1NC(=O)C[n+]1cccc(O)c1
DelComponent,Modify the molecule amine by removing a CCCCCCOc1ccc(C2Oc3ccccc3C3C=C(c4cccs4)NN32)cc1.,CCCCCCOc1ccc(C2Oc3ccccc3C3C=C(c4cccs4)N32)cc1
LogP,Please modify the molecule CCNC(NCCNC(=O)c1ccccc1)=[NH+]CCC(O)c1ccccc1 to decrease its LogP value.,CCNC(NCCNC(=O)c1cccc(C(=O)O)c1)=[NH+]CCC(O)c1ccccc1
MR,Modify the molecule O=C(Nc1nn(Cc2ccc(F)cc2)cc1Br)c1ccc(F)cc1 to have a higher MR value.,O=C(Nc1nn(Cc2ccc(F)cc2)cc1Br)c1ccc(F)c(O)c1
QED,Please optimize the molecule CCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 to have a lower QED value.,CCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1ccc(CN)c([N+](=O)[O-])c1
AtomNum,"There is a molecule composed of 10 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",Nc1cccnc1NC(=O)c1ccoc1Br
BondNum,"Please generate a molecule composed of 18 single bonds, 3 double bonds, and 5 rotatable bonds.",CCOC(=O)CN(C(=O)N1CCOC(C(=O)[O-])C1)C(C)C
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 ketone groups, 1 amide group, and 1 sulfone group.",CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1
AddComponent,Please add a hydroxyl to the molecule O=S(=O)(c1c[nH+]c2n1CCC2)N1CCSCC1c1nccs1.,O=S(=O)(c1c[nH+]c2n1CCC2)N1CCSCC1c1ncc(O)s1
SubComponent,Modify the molecule Oc1ccc(-c2c3c(nn2-c2ccccc2)CCCCCCCCCC3)cc1 by substituting a hydroxyl with a nitrile.,N#Cc1ccc(-c2c3c(nn2-c2ccccc2)CCCCCCCCCC3)cc1
DelComponent,Please remove a amine from the molecule COc1cc(O)c2c(c1C)C(=O)OCCCCC(=S)NC(C(=O)[O-])CSC2.,COc1cc(O)c2c(c1C)C(=O)OCCCCC(=S)C(C(=O)[O-])CSC2
LogP,Optimize the molecule CC1(C(=O)Nc2cc(I)ccc2Cl)CC1 to have a lower LogP value.,CC1(C(=O)Nc2cc(S)ccc2Cl)CC1
MR,Modify the molecule Fc1ccc(C[NH+]2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1F to have a higher MR value.,Fc1cccc(C[NH+]2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)c1
QED,Please optimize the molecule Cl[SiH2]CBr to have a higher QED value.,N#C[SiH2]CBr
AtomNum,"The molecule has 13 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCCCCCCC(=O)CCCC(C)[NH3+]
BondNum,"The molecule has 19 single bonds, 1 double bond, 9 rotatable bonds, and 6 aromatic bonds.",C[NH+]=C(NCCC(C)c1ccc(OC)cc1)NCC(C1CC1)[NH+](C)C
FunctionalGroup,"The molecule contains 1 amine group, and 1 sulfide group.",COc1ccnc(Nc2cccc(-c3cnc(N4CCOCC4)s3)n2)c1
AddComponent,Modify the molecule CS(=O)(=O)C(Cl)(Cl)S(=O)(=O)Oc1ccccc1 by adding a benzene ring.,CS(=O)(=O)C(Cl)(Cl)S(=O)(=O)Oc1cccc(-c2ccccc2)c1
SubComponent,Substitute a halo in the molecule CCCCCc1c(-c2ccc(Cl)cc2)ncn1CCc1ccccc1OC with a thiol.,CCCCCc1c(-c2ccc(S)cc2)ncn1CCc1ccccc1OC
DelComponent,Modify the molecule benzene ring by removing a COCCc1ccccc1Nc1ncc[nH]1.,COCCNc1ncc[nH]1
LogP,Optimize the molecule O=C(CCn1c(=O)c2cccn2c2ccccc21)Nc1ccc(F)cc1 to have a lower LogP value.,O=C(CCn1c(=O)c2cccn2c2ccccc21)NF
MR,Please modify the molecule CC(C)(C)NC(=O)OC1CCC(CC#N)(n2cc(C(N)=O)c(Nc3ccccc3)n2)CC1 to increase its MR value.,CC(C)(C)NC(=O)OC1CCC(CC(=O)[OH])(n2cc(C(N)=O)c(Nc3ccccc3)n2)CC1
QED,Modify the molecule OCC1CCCCN1CC[NH2+]Cc1cc(-c2ccccc2)no1 to have a higher QED value.,CC1CCCCN1CC[NH2+]Cc1cc(-c2ccccc2)no1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",CC1(C(=O)[O-])CCN(C(=O)C2CC2c2ccc(Br)cc2)C1
BondNum,"The molecule is composed of 26 single bonds, 5 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CN1CC=CC2OC34C=CCN(c5ccccc5Cl)C(=O)C3N(C(CO)c3ccccc3)C(=O)C4C2C1=O
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ketone group, and 1 amine group.",CC(=O)c1ccc(Nc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1
AddComponent,Modify the molecule Cc1nc(C[NH+]2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cs1 by adding a benzene ring.,Cc1nc(C[NH+]2CCN(S(=O)(=O)c3ccc(CC(C)C)c(-c4ccccc4)c3)CC2)cs1
SubComponent,Modify the molecule halo by substituting a COc1cc(F)cc2sc(C(=O)[O-])cc12 with a carboxyl.,COc1cc(C(=O)[OH])cc2sc(C(=O)[O-])cc12
DelComponent,Modify the molecule benzene ring by removing a CCC(Cc1ccccc1)[NH2+]CC1CCSCC1.,CCC(C)[NH2+]CC1CCSCC1
LogP,Optimize the molecule O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc(Cl)ccc1Cl to have a higher LogP value.,CC(=O)c1ccccc1N1CCN(S(=O)(=O)CCCNC(=O)c2cc(Cl)ccc2Cl)CC1
MR,Modify the molecule CCOc1ccc(-c2cccnc2C)cc1 to decrease its MR value.,CCOc1cccnc1C
QED,Optimize the molecule CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(O)cc2c1=O to have a higher QED value.,CC(C)NC(=O)Cn1c(Cl)cn2cc(O)cc2c1=O
AtomNum,"The molecule consists of 11 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",NC(=O)C1CCN(c2cccc(N)c2[N+](=O)[O-])C1
BondNum,"Please generate a molecule composed of 15 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",CCC1CN(C(=O)NC(C)c2ncnn2C)CCCO1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ester group, 1 amide group, and 1 nitrile group.",Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(CC#N)cc3)c3ccccc3n2)o1
AddComponent,Add a amine to the molecule Cc1c(C(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)cccc1[N+](=O)[O-].,Cc1c(C(=O)Nc2cc3c4c(c2)C(N)CCN4C(=O)CC3)cccc1[N+](=O)[O-]
SubComponent,Please substitute a halo in the molecule O=C(CCl)Nc1ccc(Oc2ccc(Cl)cc2)cc1 with a aldehyde.,CC(=O)CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
DelComponent,Remove a O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1ccc2ccc(Br)cc2c1 from the molecule halo.,O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1ccc2ccccc2c1
LogP,Modify the molecule CCC([NH3+])C(CO)N(C)CC1CC1 to have a higher LogP value.,CCC([NH3+])C(C)N(C)CC1CC1
MR,Optimize the molecule CCC1CSC(=[NH+]C2CCC2C)N1 to have a higher MR value.,CCC1CSC(=[NH+]C2(O)CCC2C)N1
QED,Please optimize the molecule O=C(Nc1cccc(OC(F)F)c1)c1ccc(OCc2nc(C3CC3)cs2)cc1 to have a higher QED value.,O=C(Nc1cccc(OC(O)F)c1)c1ccc(OCc2nc(C3CC3)cs2)cc1
AtomNum,"Please generate a molecule composed of 63 carbon atoms, and 6 oxygen atoms.",CCC=CCC=CCC=CCC=CCCCCC(=O)OC(COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)COC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC
BondNum,"The molecule consists of 13 single bonds, and 4 rotatable bonds.",CC1(C)CCC(C[NH3+])(OCCO)C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, 2 halo groups, and 1 sulfide group.",Cc1nc(C(C)Nc2cccc(OC(F)F)c2)c(C)s1
AddComponent,Add a amine to the molecule CCC(C)CCCc1ccc(-c2ccc(-c3ccccc3)cc2)c(F)c1F.,CC(N)C(C)CCCc1ccc(-c2ccc(-c3ccccc3)cc2)c(F)c1F
SubComponent,Substitute a CC(=O)N1CCN(CCS(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccc3ccccc3c2)CC1 in the molecule halo with a nitro.,CC(=O)N1CCN(CCS(=O)(=O)N(Cc2ccc(OC(F)(F)NO)cc2)c2ccc3ccccc3c2)CC1
DelComponent,Remove a halo from the molecule CCC(C(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)c1ccccc1.,CCC(C(=O)N(Cc1ccccc1)Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)c1ccccc1
LogP,Modify the molecule CCC(CC)(CO)NC(=O)c1ccc(CC[NH3+])cc1 to have a higher LogP value.,CCC(CC)(CS)NC(=O)c1ccc(CC[NH3+])cc1
MR,Modify the molecule Clc1ccccc1-c1cccc(C[NH+](Cc2cccc(-c3ccccc3)n2)Cc2cccc(-c3ccccc3)n2)n1 to have a lower MR value.,c1ccc(-c2cccc(C[NH+](Cc3cccc(-c4ccccc4)n3)Cc3cccc(-c4ccccc4)n3)n2)cc1
QED,Modify the molecule CC1CCCC([NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C1 to have a lower QED value.,CC1CCCC([NH+]2CCN(C(=O)COCl)CC2)C1
AtomNum,"Please generate a molecule consisting 27 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, 1 fluorine atom, and 1 chlorine atom.",CCCOc1ccc(C2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1OC
BondNum,"Please generate a molecule composed of 20 single bonds, 2 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",O=C(NCC(CC[NH2+]C1CCCC1)c1cccc(-c2cccc([N+](=O)[O-])c2)c1)Nc1cc(Cl)cc(Cl)c1
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,Cc1noc(CNC(=O)N2CC(=O)NC3CCCCC32)n1
AddComponent,Please add a benzene ring to the molecule CC1=NCC2(C[NH+]3CCC2C3)O1.,CC1=NCC2(C[NH+]3CC(c4ccccc4)C2C3)O1
SubComponent,Please substitute a halo in the molecule N#Cc1nc(C[NH3+])cc(Cl)c1C(F)F with a carboxyl.,N#Cc1nc(C[NH3+])cc(C(=O)[OH])c1C(F)F
DelComponent,Remove a amine from the molecule CCNc1cc(S(=O)(=O)N2CCCC(C)(OC)C2)ccn1.,CCc1cc(S(=O)(=O)N2CCCC(C)(OC)C2)ccn1
LogP,Please optimize the molecule Nc1ccc(-c2nnc3ccc(N4CC[NH2+]CC4)cn23)cc1 to have a higher LogP value.,Nc1ccc(-c2nnc3ccc(N4CC[NH2+]CC4)cn23)c(-c2ccccc2)c1
MR,Please modify the molecule CCOC(=O)C=CSC=C(c1ccccc1)N1CCn2c(C(=O)c3ccccc3)cc(C(=O)OCC)c21 to decrease its MR value.,CCOC(=O)C=CSC=C(c1ccccc1)N1CCn2c(C=O)cc(C(=O)OCC)c21
QED,Modify the molecule CC1(C)C2C[NH2+]CC2C[NH+]1CCCOc1ccc(Cl)cc1 to decrease its QED value.,CC1(C)C2C[NH2+]CC2(c2ccccc2)C[NH+]1CCCOc1ccc(Cl)cc1
AtomNum,"The molecule is composed of 13 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 2 fluorine atoms, and 1 chlorine atom.",O=C([O-])c1cc(Cl)ccc1Nc1cc(F)cc(F)c1
BondNum,"The molecule consists of 13 single bonds, 2 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(OCC(=O)N(CCC(=O)OC)Cc2ccncc2)cc1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 5 amide groups, and 2 halo groups.",CC(=O)Nc1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4cccc(F)c4)cc3C)CC2)C(C)C)cc1Cl
AddComponent,Add a aldehyde to the molecule CCCCCCSP(=S)(OC(C)(C)C)OC(C)(C)C.,CCCCCCSP(=S)(OC(C)(C)C)OC(C)(C)CCC=O
SubComponent,Please substitute a halo in the molecule [NH3+]CC(O)c1cc2ccoc2c(Br)c1O with a nitrile.,N#Cc1c(O)c(C(O)C[NH3+])cc2ccoc12
DelComponent,Remove a Cc1ccc(F)cc1NC(=O)c1ccc(C)c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cc(C(=O)N4CCOCC4)ccc3C)CC2)c1 from the molecule benzene ring.,Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(C)NC(=O)C1CC[NH+](C(C)C(=O)N(C)C(=O)Nc2cc(F)ccc2C)CC1
LogP,Please modify the molecule S=c1ccnc(CSc2ccc(Br)cc2)[nH]1 to decrease its LogP value.,S=c1ccnc(CSBr)[nH]1
MR,Optimize the molecule NC(=O)c1cn(C2(C[NH3+])CC[NH+](Cc3cccc4[nH]ccc34)CC2)nc1Nc1ccc(F)cc1 to have a lower MR value.,NC(=O)c1cn(C2(C[NH3+])CC[NH+](Cc3cccc4[nH]ccc34)CC2)nc1-c1ccc(F)cc1
QED,Please optimize the molecule C#CCOc1cccc2c1C(=O)OC(c1ccccc1)(c1ccccc1)O2 to have a higher QED value.,C#CCOc1cccc2c1C(=O)OC(c1ccccc1)O2
AtomNum,"There is a molecule with 28 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",C=Cc1cc(-c2nc3c(C)cc(OCCOC(=O)Nc4ccc(OC)nc4)cc3s2)c2ncc(OC)nc2c1
BondNum,"There is a molecule composed of 16 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cc(C(N)=[NH+]O)ccc1C[NH+]1CCN2CCCC2C1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 hydroxyl group, 1 ester group, 1 amide group, and 1 sulfide group.",CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)C2c2cccc(OC)c2OC)cc1
AddComponent,Add a benzene ring to the molecule Cc1ccc(C(C)N(C)C(=O)Cc2noc3ccccc23)cc1.,Cc1ccc(C(C)(c2ccccc2)N(C)C(=O)Cc2noc3ccccc23)cc1
SubComponent,Please substitute a O=C(NC(CO)Cc1ccccc1)C1CSC[NH2+]1 in the molecule hydroxyl with a carboxyl.,O=C([OH])CC(Cc1ccccc1)NC(=O)C1CSC[NH2+]1
DelComponent,Please remove a CCCNC(=O)CNC(=[NH+]C)N1CCC(C(=O)OCC)CC1 from the molecule amine.,CCCNC(=O)CNC(C)N1CCC(C(=O)OCC)CC1
LogP,Modify the molecule CCOC(=O)C(F)N1C(=O)C2CCCC2C1=O to decrease its LogP value.,CC(=O)C(C(=O)OCC)N1C(=O)C2CCCC2C1=O
MR,Please modify the molecule CCNC(NC1CCN(c2cc(Cl)ccc2OC)C1)=[NH+]CCCc1cn[nH]c1C to increase its MR value.,CCNC(NC1CCN(c2cc(NO)ccc2OC)C1)=[NH+]CCCc1cn[nH]c1C
QED,Optimize the molecule COc1ccc(OCCCC(=O)OCCCN2C(=O)C(C)(C)Nc3ccccc32)cc1 to have a lower QED value.,COc1ccc(OCCCC(=O)OCCCN2C(=O)C(C)(C)c3ccccc32)cc1
AtomNum,"The molecule consists of 15 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",COc1ccccc1C(=O)Nc1cccc(C#N)c1
BondNum,"There is a molecule composed of 22 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC1C(c2ccc(CN(C)C(=O)C3CC3)c(Br)c2)=NOC1(c1cc(Cl)cc(Cl)c1)C(F)(F)F
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",Cc1cc(-c2ccc(Cl)cc2)c(CO)c(C)n1
AddComponent,Please add a benzene ring to the molecule CCCc1noc(N)c1-c1cccc(C(F)(F)F)c1.,CCCc1noc(N)c1-c1cc(C(F)(F)F)ccc1-c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CCCc1cc(N2CCC([NH2+]CC(O)c3cccs3)CC2)nc2sc(C(N)=O)c(N)c12 with a halo.,CCCc1cc(N2CCC([NH2+]CC(I)c3cccs3)CC2)nc2sc(C(N)=O)c(N)c12
DelComponent,Remove a amide from the molecule COc1cc(C2SCC(=O)Nc3[nH]ncc32)ccc1OCc1c(C)noc1C.,COc1cc(C2Sc3[nH]ncc32)ccc1OCc1c(C)noc1C
LogP,Modify the molecule COc1ccc(CCCCc2ccc(C)cc2)cc1-c1ccc(O)c2c1CC1(C)CC3(C)CC(C)=C(C(C)=O)C(=O)C3(O)C(=O)C1=C2[O-] to have a higher LogP value.,COc1ccc(CCCCc2ccc(C)cc2)cc1-c1ccc(S)c2c1CC1(C)CC3(C)CC(C)=C(C(C)=O)C(=O)C3(O)C(=O)C1=C2[O-]
MR,Modify the molecule Fc1c(Cl)cccc1NCc1nc(C2CC2)no1 to have a higher MR value.,Clc1cccc(NCc2nc(C3CC3)no2)c1
QED,Modify the molecule CC(C)[NH2+]Cc1cn(Cc2csc(C(C)C)n2)cn1 to decrease its QED value.,CC(Cc1ccccc1)[NH2+]Cc1cn(Cc2csc(C(C)C)n2)cn1
AtomNum,"There is a molecule composed of 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",Cc1ccc(C(=O)C(=O)Nc2cccc(Cl)c2)cc1
BondNum,"The molecule is composed of 8 single bonds, 1 rotatable bond, and 12 aromatic bonds.",Fc1cc(F)c(-c2ccc3c(c2)NCC3)cc1F
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ester group, 2 amide groups, 1 thioether group, and 1 sulfide group.",CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CSc2ccc(C(C)(C)C)cc2)CC1
AddComponent,Add a hydroxyl to the molecule CN(CC[NH+](C)C)c1cccnc1C(N)=S.,CN(CC[NH+](C)CO)c1cccnc1C(N)=S
SubComponent,Modify the molecule Fc1cccc(-c2cnn(-c3ccc(Cl)cc3Cl)c2)c1 by substituting a halo with a thiol.,Sc1cccc(-c2cnn(-c3ccc(Cl)cc3Cl)c2)c1
DelComponent,Modify the molecule amide by removing a CN(c1ccc2c(c1)CC(=O)N2)C1CCCC1[NH3+].,CN(c1ccccc1)C1CCCC1[NH3+]
LogP,Modify the molecule CC(C)c1cc2c(cc1C(=O)C#N)OCO2 to decrease its LogP value.,CC(C)c1cc2c(cc1C(=O)C#N)OC(C(=O)O)O2
MR,Modify the molecule CCC(C)NC(=O)CCNc1cc(C(=O)[O-])cc(C)n1 to have a lower MR value.,CCC(C)NC(=O)CCc1cc(C(=O)[O-])cc(C)n1
QED,Modify the molecule Cc1c(C#N)c(Br)c(Br)n1COC(=O)C(C)(C)C to have a higher QED value.,Cc1c(O)c(Br)c(Br)n1COC(=O)C(C)(C)C
AtomNum,"The molecule contains 12 carbon atoms, 6 nitrogen atoms, and 2 fluorine atoms.",Fc1cc(F)cc(CCNc2ccc3nnnn3n2)c1
BondNum,"There is a molecule consisting of 20 single bonds, 12 rotatable bonds, and 12 aromatic bonds.",CCCCCCCc1ccc(-c2ccc(CCC3CCC(CCC)CC3)cc2)nc1
FunctionalGroup,Please generate a molecule with and 2 amide groups.,CN(C)C(=O)CCN(C)C(=O)c1ccc2c(c1)CCCO2
AddComponent,Add a hydroxyl to the molecule Cc1cc(C)n(CCC[NH+](C)Cc2cnn(-c3cccc(F)c3)c2)n1.,Cc1cc(C)n(CCC[NH+](C)Cc2cnn(-c3ccc(O)c(F)c3)c2)n1
SubComponent,Please substitute a CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)NC(=O)C([NH3+])Cc1ccccc1)C(=O)[O-] in the molecule hydroxyl with a nitro.,CC(NC(=O)C(Cc1ccc(NO)cc1)NC(=O)C(C)NC(=O)C([NH3+])Cc1ccccc1)C(=O)[O-]
DelComponent,Remove a hydroxyl from the molecule Cc1ccc(N2CCC(O)C(F)C2)nn1.,Cc1ccc(N2CCCC(F)C2)nn1
LogP,Modify the molecule O=[N+]([O-])c1c(Cl)ncnc1Oc1ccccc1CO to decrease its LogP value.,O=[N+]([O-])c1c(S)ncnc1Oc1ccccc1CO
MR,Please modify the molecule Cc1c(Cn2ccc3c2CCCC3O)cccc1[N+](=O)[O-] to decrease its MR value.,Cc1(O[O-])c(Cn2ccc3c2CCCC3O)ccc-1
QED,Please optimize the molecule CC(=O)Nc1c(O)ccc2ncccc12 to have a lower QED value.,O=C(CO)Nc1c(O)ccc2ncccc12
AtomNum,"The molecule consists of 17 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",Cc1cc(C)c(C2(CC3CCC[NH2+]3)COC2)c(C)c1
BondNum,"The molecule contains 17 single bonds, 4 double bonds, 7 rotatable bonds, and 23 aromatic bonds.",O=C(NC(Cc1ccc(O)cc1)C1=CN=CC1)c1cc(C(=O)[O-])c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, 1 amine group, and 1 sulfide group.",CNc1nc(N2CCC(CO)C2)c2ccsc2n1
AddComponent,Modify the molecule COc1ccc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)NN3C(=O)CSC3c3ccc(Cl)cc3)cn4C3CC3)CC2)cc1 by adding a benzene ring.,COc1ccc(N2CCN(c3cc4c(c(-c5ccccc5)c3F)c(=O)c(C(=O)NN3C(=O)CSC3c3ccc(Cl)cc3)cn4C3CC3)CC2)cc1
SubComponent,Modify the molecule halo by substituting a O=C(NCCCCC(F)(F)F)c1cc(F)cc2[nH]c(=S)[nH]c12 with a aldehyde.,CC(=O)C(F)(F)CCCCNC(=O)c1cc(F)cc2[nH]c(=S)[nH]c12
DelComponent,Please remove a benzene ring from the molecule CCc1cnc(CCNC(NCC(=O)NCc2ccc(OC)cc2)=[NH+]C)s1.,CCc1cnc(CCNC(NCC(=O)NCOC)=[NH+]C)s1
LogP,Modify the molecule O=C(NC1CC[NH+](C2CCSCC2)CC1)c1cn[nH]c1C1CCCCC1 to have a lower LogP value.,c1n[nH]c-1(C1CCCCC1)C1CC[NH+](C2CCSCC2)CC1
MR,Please optimize the molecule Cn1cc(Br)c2cc(C(C#N)CN)ccc21 to have a lower MR value.,CC(C#N)c1ccc2c(c1)c(Br)cn2C
QED,Optimize the molecule O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1ccc(Cl)cc1 to have a higher QED value.,Clc1ccc(Sc2nnc(-c3ccco3)n2Cc2ccco2)cc1
AtomNum,"The molecule consists of 13 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",C=CCC([NH3+])C(=O)NC1CC(OCC)C1(C)C
BondNum,"There is a molecule consisting of 14 single bonds, 7 rotatable bonds, and 5 aromatic bonds.",CCC[NH2+]C(C)c1ncc(CCC2CCCO2)o1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 halo group.",CCCn1c(C)ccc1-c1ccc(F)cc1
AddComponent,Please add a carboxyl to the molecule [NH3+]C(c1cc(F)cc(F)c1)c1nnc(CC(=O)[O-])o1.,[NH3+]C(c1nnc(CC(=O)[O-])o1)c1cc(F)cc(F)c1C(=O)O
SubComponent,Please substitute a CC(C)(C)[Si](C)(C)OCCC(CCO[Si](C)(C)C(C)(C)C)On1cnc2c(Cl)nc(NC=O)nc21 in the molecule halo with a hydroxyl.,CC(C)(C)[Si](C)(C)OCCC(CCO[Si](C)(C)C(C)(C)C)On1cnc2c(O)nc(NC=O)nc21
DelComponent,Modify the molecule Cc1cc(C)c(C[NH3+])c(N2CCc3ccc(F)cc32)n1 by removing a halo.,Cc1cc(C)c(C[NH3+])c(N2CCc3ccccc32)n1
LogP,Optimize the molecule CC(=O)N(C)CC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2 to have a higher LogP value.,CCC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2
MR,Modify the molecule CCCCCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C=Nc3ccc(Cc4ccc(N=Cc5ccc(OC(=O)c6ccc(OCCCCCCCCCCCCCCCC)cc6)cc5)cc4)cc3)cc2)cc1 to decrease its MR value.,CCCCCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C=NCc3ccc(N=Cc4ccc(OC(=O)c5ccc(OCCCCCCCCCCCCCCCC)cc5)cc4)cc3)cc2)cc1
QED,Modify the molecule O=S(=O)(c1ccc(SCC(O)CO)cc1)C(F)F to have a lower QED value.,O=S(=O)(c1ccc(SCC(I)CO)cc1)C(F)F
AtomNum,"There is a molecule with 18 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",COc1cc(OC)cc(C(=O)NNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1
BondNum,"Please generate a molecule with 12 single bonds, 2 rotatable bonds, and 10 aromatic bonds.",c1ccc2sc(C[NH+]3CCN4CCC3CC4)nc2c1
FunctionalGroup,"The molecule has 1 hydroxyl group, 1 nitro group, 1 halo group, and 1 sulfide group.",O=[N+]([O-])c1ccc(Cl)c2c(O)csc12
AddComponent,Modify the molecule CCOC(=O)C1(C(=O)OCC)C=C(C(=O)OC)C[NH2+]1 by adding a carboxyl.,CCOC(=O)C1(C(=O)OCC)[NH2+]CC(C(=O)OC)=C1C(=O)O
SubComponent,Substitute a halo in the molecule O=C(Cc1cc2c(cc1Br)OCCO2)Nc1cc(Cl)ccc1-n1cncn1 with a aldehyde.,CC(=O)c1cc2c(cc1CC(=O)Nc1cc(Cl)ccc1-n1cncn1)OCCO2
DelComponent,Remove a OCc1ccccc1Sc1nnc2ccccn12 from the molecule hydroxyl.,Cc1ccccc1Sc1nnc2ccccn12
LogP,Modify the molecule O=C(CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCC(O)CC1 to decrease its LogP value.,ONC1CCN(C(=O)CC2c3ccccc3C(=O)N2c2ccc3ccc(Cl)nc3n2)CC1
MR,Modify the molecule COc1ccc(C2CCCCCN2C(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1 to have a lower MR value.,COc1ccc(C2CCCCC2n2c(-c3cccs3)n[nH]c2=S)cc1
QED,Optimize the molecule COc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(Br)cc2C)s1 to have a lower QED value.,COc1ccccc1Nc1nnc(SC(O)C(=O)Nc2ccc(Br)cc2C)s1
AtomNum,"The molecule contains 20 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",Cc1cc(C(=O)NC2CC(=O)N(C)C2c2ccc(Cl)cc2)nn1C(C)(C)C
BondNum,"The molecule consists of 17 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CNS(=O)(=O)c1cccc(CNC(NCc2ccc(C[NH+]3CCCC3)cc2)=[NH+]C)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 amine groups.",Nc1ccc(-c2c[nH+]c3n2CCC3)cc1N
AddComponent,Add a aldehyde to the molecule CCn1c(C(C)[NH2+]Cc2ccccc2Br)nc2ccccc21.,CCn1c(C(C)[NH2+]Cc2ccccc2Br)nc2c(CC=O)cccc21
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ccc(NC(=O)C(=O)NCc2ccc(C(O)c3cccs3)s2)c(C)c1 with a aldehyde.,CC(=O)C(c1cccs1)c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2C)s1
DelComponent,Please remove a O=C(C1CCCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCOCC1 from the molecule amide.,O=C(C1CCC2CCN(c3nc4ccccc4o3)CC2C1)N1CCOCC1
LogP,Please modify the molecule C=C(C)c1cccc(C(C)(C)N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(C(C)(C)c6cccc(C(=C)C)c6)C7=O)cc5)cc4)cc3C2=O)c1 to decrease its LogP value.,C=C(C)c1cccc(C(C)(C)N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(C(C)(C)C(=C)C)C7=O)cc5)cc4)cc3C2=O)c1
MR,Please optimize the molecule [NH3+]C(c1ccc(C2CCC2)cc1)c1cc(F)c(Cl)cc1F to have a higher MR value.,[NH3+]C(c1ccc(C2CCC2)cc1)c1ccc(Cl)c(F)c1
QED,Please modify the molecule CCN(Cc1ccccn1)c1cccc(F)c1C(C)O to decrease its QED value.,CC(=O)C(C)c1c(F)cccc1N(CC)Cc1ccccn1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COc1cccc(NC(=O)C[NH+](C)C(C)C(=O)N2CCOCC2)c1
BondNum,"There is a molecule consisting of 10 single bonds, 3 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",Cc1cc(CNS(=O)(=O)Cc2ccccc2)n(C)c1C(=O)c1ccc(Cl)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 4 hydroxyl groups, 1 amide group, and 2 amine groups.",O=C([O-])CCCCC(=O)Nc1ccccc1NC1=[NH+]C(CO)C(O)C(O)C1O
AddComponent,Please add a benzene ring to the molecule CC(O)C1CC[NH+](Cc2c[nH+]c3ccc(Br)cn23)C1.,CC(O)C1C[NH+](Cc2c[nH+]c3ccc(Br)cn23)CC1c1ccccc1
SubComponent,Modify the molecule FC(F)c1cc2sccc2c(Br)c1I by substituting a halo with a hydroxyl.,OC(F)c1cc2sccc2c(Br)c1I
DelComponent,Modify the molecule halo by removing a COc1cccc2cc(COC3CN(C(=O)OCC[Si](C)(C)C)CCC3c3ccc(F)cc3)ccc12.,COc1cccc2cc(COC3CN(C(=O)OCC[Si](C)(C)C)CCC3c3ccccc3)ccc12
LogP,Modify the molecule Cc1ccc2c(c1)Oc1sc3c(O)cccc3c1CN2 to have a lower LogP value.,Cc1ccc2c(c1)Oc1sc3c(O)cccc3c1C2
MR,Modify the molecule COC(=O)CCCC#CCC#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C to decrease its MR value.,COC(=O)CCCC#CCC#CCCO[Si](c1ccccc1)C(C)(C)C
QED,Modify the molecule O=C(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)c1cccc(Oc2ccc(F)cc2)c1 to have a lower QED value.,O=C(Nc1ccc(Oc2ccc(-n3nccc3O)nn2)cc1)c1cccc(Oc2ccc(F)cc2)c1
AtomNum,"The molecule has 24 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",CC(=O)c1ccc(NC(=O)C(C)OC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1
BondNum,"Please generate a molecule consisting 12 single bonds, 2 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",Nc1ccc(NC(=O)c2c(Cl)c(Cl)c(C(=O)Nc3ccc(N)cc3)c(Cl)c2Cl)cc1
FunctionalGroup,"The molecule consists of 2 ester groups, and 1 amide group.",COC1CCC(=O)N2C(C3CC(C)C(=O)O3)CCC2C12CC(C)C(=O)O2
AddComponent,Add a amine to the molecule O=C(NC1CC1)C1CC(=O)N(c2ccc3c(c2)CCC3)C1.,NC1CC1NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
SubComponent,Please substitute a O=c1ccn(Br)c(=O)[nH]1 in the molecule halo with a carboxyl.,O=C([OH])n1ccc(=O)[nH]c1=O
DelComponent,Modify the molecule benzene ring by removing a Cc1noc(C)c1C(=O)N1CCC(n2cc(-c3ccccc3)nn2)C1.,Cc1noc(C)c1C(=O)N1CCC(n2ccnn2)C1
LogP,Modify the molecule Cc1cc(F)ccc1CNc1cccc(Cl)c1 to decrease its LogP value.,Cc1cc(NO)ccc1CNc1cccc(Cl)c1
MR,Optimize the molecule COc1cccc(OC(C[NH3+])c2ccc(Cl)cc2)c1 to have a higher MR value.,[NH3+]CC(Oc1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1
QED,Please modify the molecule O=S(=O)(c1ccc(CO)cc1)N1CCCCCC1 to decrease its QED value.,Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",CNc1nc(NCC(C)C(C)C)nc(N2CCOCC2)n1
BondNum,"There is a molecule composed of 45 single bonds, 9 double bonds, 13 rotatable bonds, and 22 aromatic bonds.",C=C(C=CC(CC)N(c1ccc(C(C)(C)C)cc1)c1ccc2c(C3=CC=CCC3)c3cc(N(C4=CCC(C(C)(C)C)C=C4)C4CC=C(C(C)(C)C)CC4)ccc3c(C(C=CCC)=CC)c2c1)C(C)(C)C
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 hydroxyl group, 2 amine groups, and 1 sulfone group.",O=C([O-])c1cc(S(=O)(=O)NCCc2ccccc2)ccc1NCCO
AddComponent,Modify the molecule O=C(NC1CCCCCC1)N1CCC(c2ccncn2)CC1 by adding a hydroxyl.,O=C(NC1CCCCCC1O)N1CCC(c2ccncn2)CC1
SubComponent,Please substitute a halo in the molecule Cn1c2c(c3ccc(Cl)cc31)CCCC2C[NH3+] with a nitrile.,Cn1c2c(c3ccc(C#N)cc31)CCCC2C[NH3+]
DelComponent,Remove a COc1ccc(C[NH2+]C2CC3CCC2C3)cc1Br from the molecule benzene ring.,COC(Br)[NH2+]C1CC2CCC1C2
LogP,Please modify the molecule CCC(C)[NH2+]C=C(C#N)C(=O)Nc1ccc(OC)c(OC)c1 to increase its LogP value.,CCC(C)[NH2+]C(C#N)c1ccc(OC)c(OC)c1
MR,Please optimize the molecule O=C(CSc1nc(Cl)cc(N2CCC(Cc3ccccc3)CC2)n1)NC(Cc1ccccc1)c1ccccc1 to have a lower MR value.,Clc1cc(N2CCC(Cc3ccccc3)CC2)nc(SC(Cc2ccccc2)c2ccccc2)n1
QED,Please modify the molecule CCCCC=C(Sc1ccccc1)[Se]c1ccccc1 to increase its QED value.,CCCCC=C(S)[Se]c1ccccc1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, and 3 oxygen atoms.",CC1(C)CCCC2(C)C1=CCC1C(=O)c3ccoc3C(=O)C12
BondNum,"Please generate a molecule consisting 17 single bonds, 2 double bonds, 6 rotatable bonds, and 22 aromatic bonds.",COC(=O)c1c(-c2ccc(N(C)C)cc2)ccc(-c2cc(C)c3cc(C(C)C)ccc(C)c2-3)c1C(=O)OC
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",O=C(Cn1c(Cc2cccc3ccccc23)nc2ccccc21)NCc1ccccc1
AddComponent,Modify the molecule CCOC(=O)CCC(=O)NC(=S)Nc1ccc(OCCc2ccccc2)cc1 by adding a hydroxyl.,CCOC(=O)CCC(=O)NC(=S)Nc1ccc(OCCc2ccccc2O)cc1
SubComponent,Substitute a halo in the molecule O=C(Cc1ccc(F)cc1)N1CCCC(CO)C1 with a aldehyde.,CC(=O)c1ccc(CC(=O)N2CCCC(CO)C2)cc1
DelComponent,Remove a COC(=O)CCCC=CCC1C(O)CC(O)C1C=CC(O)C#Cc1ccc(Cl)cc1 from the molecule halo.,COC(=O)CCCC=CCC1C(O)CC(O)C1C=CC(O)C#Cc1ccccc1
LogP,Please modify the molecule CCC(C)(C)n1nnnc1C(c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCN(c2ccc(F)cc2)CC1 to decrease its LogP value.,CCC(C)(C)n1nnnc1C(c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCN(c2ccc(NO)cc2)CC1
MR,Optimize the molecule C#CCOCCC(=O)N1CCC(CC)(CO)CC1 to have a lower MR value.,C#CCOC1CCC(CC)(CO)CC1
QED,Optimize the molecule O=[N+]([O-])c1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1Cl to have a lower QED value.,ONc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-]
AtomNum,"The molecule consists of 7 carbon atoms, 2 oxygen atoms, and 1 sulfur atom.",COC(=O)c1ccc(C)s1
BondNum,"There is a molecule consisting of 8 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",Nc1c(CC(=O)[O-])cc(Cl)nc1C(F)F
FunctionalGroup,The molecule consists of and 2 amine groups.,Cc1nc(Nc2ccc3c(c2)CCCCCCCCCC3)nc(N)c1C=N
AddComponent,Modify the molecule CC(CO)(CO)Nc1c(N)c[nH+]c2ccc(Br)cc12 by adding a benzene ring.,CC(CO)(CO)Nc1c(N)c[nH+]c2cc(-c3ccccc3)c(Br)cc12
SubComponent,Modify the molecule halo by substituting a O=C(CCc1ncc(-c2ccccc2F)o1)NCCN1C(=O)SC(=Cc2cccnc2)C1=O with a aldehyde.,CC(=O)c1ccccc1-c1cnc(CCC(=O)NCCN2C(=O)SC(=Cc3cccnc3)C2=O)o1
DelComponent,Modify the molecule thiol by removing a SCCC(S)CCCCC[NH+]1CCOCCOCCOCCOCCOCC1.,SCCCCCCCC[NH+]1CCOCCOCCOCCOCCOCC1
LogP,Optimize the molecule Cc1ccc(C)c(C(=O)c2cccc(O[P+](=O)O)c2)c1 to have a higher LogP value.,Cc1ccc(Cc2ccccc2)c(C(=O)c2cccc(O[P+](=O)O)c2)c1
MR,Please optimize the molecule CCCCOCC1OC(OCCCC)(C(F)(F)CNCCCCC(NC(=O)OCc2ccccc2)C(=O)NCC(=O)NCC(=O)OCCCC)C(OCCCC)C(OCCCC)C1OCCCC to have a lower MR value.,CCCCOCC1OC(OCCCC)(C(F)CNCCCCC(NC(=O)OCc2ccccc2)C(=O)NCC(=O)NCC(=O)OCCCC)C(OCCCC)C(OCCCC)C1OCCCC
QED,Modify the molecule Cn1nc(CCNC(=O)NC2CCC(C)(C)CC2)c2ccccc21 to have a lower QED value.,Cn1nc(CCNC(=O)NC2CCC(C)(C)CC2O)c2ccccc21
AtomNum,"There is a molecule with 42 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 fluorine atom.",Cc1ccc(NC(=O)c2ccc(NC(=O)C(C)[NH+]3CCC(C(=O)N4CCCC4C(=O)Nc4ccccc4C(=O)N4CCCC(C)C4)CC3)c(C)c2)cc1F
BondNum,"There is a molecule with 21 single bonds, 3 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",C[NH+]1CCC(C(=O)Nc2cc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)c(CI)c3)ccn2)CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",Cn1cccc1C(O)CCNC(=O)Nc1ccccc1Cl
AddComponent,Add a carboxyl to the molecule COCCCCOC1CCCCN1c1ccc(-c2nn3cc(-c4ccc(C(=O)[O-])cc4)[nH+]c3s2)cc1.,COCC(CCOC1CCCCN1c1ccc(-c2nn3cc(-c4ccc(C(=O)[O-])cc4)[nH+]c3s2)cc1)C(=O)O
SubComponent,Substitute a Cc1cc(F)ccc1C(Cc1cc(Cl)ccc1F)NN in the molecule halo with a carboxyl.,Cc1cc(C(=O)[OH])ccc1C(Cc1cc(Cl)ccc1F)NN
DelComponent,Please remove a benzene ring from the molecule CCCCCCOc1ccc(C(C#N)=Cc2ccc(OC(=O)CCCCCC(=O)Oc3ccc(C=C(C#N)c4ccc(OCCCCCC)cc4)cc3)cc2)cc1.,CCCCCCOc1ccc(C(C#N)=COC(=O)CCCCCC(=O)Oc2ccc(C=C(C#N)c3ccc(OCCCCCC)cc3)cc2)cc1
LogP,Modify the molecule CCC(C)NC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 to have a higher LogP value.,CCC(C)OC(=O)c1oc2ccccc2c1CSC1CCCCC1
MR,Modify the molecule CCC(C)N1CC(C(=O)OC)CC1=O to increase its MR value.,CCC(CO)N1CC(C(=O)OC)CC1=O
QED,Modify the molecule C=C(C)C(=O)OCC(=O)OC(C)C(C)(F)F to increase its QED value.,C=C(C)C(=O)OCC(=O)OC(C)C(C)(F)C(=O)[OH]
AtomNum,"There is a molecule composed of 12 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COC(=O)c1ccc(N)cc1S(=O)(=O)NC1CNC(=O)C1
BondNum,"The molecule has 10 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",CCNc1nc(OC)nc(C2CCc3cccnc32)n1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 2 hydroxyl groups, and 1 ester group.",CC=CC(=O)OCCCC[Si](O)(O)c1ccccc1
AddComponent,Add a hydroxyl to the molecule CC(C)(C)C(CCO)[NH2+]CC(O)CO.,CC(C)(C)C(CCO)[NH2+]CC(O)C(O)O
SubComponent,Please substitute a hydroxyl in the molecule Cc1ccc(F)c(C(O)c2snnc2C(C)(C)C)c1 with a aldehyde.,CC(=O)C(c1cc(C)ccc1F)c1snnc1C(C)(C)C
DelComponent,Remove a halo from the molecule COc1nc(N2CCCC(C)CC2)ncc1Br.,COc1ccnc(N2CCCC(C)CC2)n1
LogP,Please modify the molecule O=C1C(Nc2ccc(Cl)cc2Cl)=C(Cl)C(=O)c2ncccc21 to decrease its LogP value.,ONc1ccc(NC2=C(Cl)C(=O)c3ncccc3C2=O)c(Cl)c1
MR,Modify the molecule O=C(Cl)C1(C(=O)Cl)C=CC(C=Cc2ccccc2)=CC1 to have a lower MR value.,O=CC1(C(=O)Cl)C=CC(C=Cc2ccccc2)=CC1
QED,Modify the molecule COCc1ccc(OC)cc1CC1CCC[NH2+]C1 to have a lower QED value.,COCc1ccc(OC)cc1CC1CCC[NH2+]C1O
AtomNum,"There is a molecule composed of 19 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COCCOc1cc(C(=O)Nc2ccc(CC(C)C(=O)[O-])cc2)ccn1
BondNum,"There is a molecule consisting of 14 single bonds, 12 rotatable bonds, and 23 aromatic bonds.",COCC[NH2+]CCCOc1cccc(Nc2nccc(-c3c[nH+]c(-c4cccc(C)c4)[nH]3)n2)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 halo group, and 1 nitrile group.",CC1=C(C)CC([I+]c2ccccc2)=C(C#N)C1
AddComponent,Modify the molecule CC(C)(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1 by adding a amine.,CC(C)(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1c1cccc(N)c1
SubComponent,Substitute a halo in the molecule O=c1c2ccccc2nc(C=Cc2ccc([N+](=O)[O-])o2)n1-c1cccc(Cl)c1 with a nitro.,ONc1cccc(-n2c(C=Cc3ccc([N+](=O)[O-])o3)nc3ccccc3c2=O)c1
DelComponent,Modify the molecule benzene ring by removing a CCC(C)C([NH3+])C(=O)Cc1cccc(O)c1.,CCC(C)C([NH3+])C(=O)CO
LogP,Please modify the molecule C#Cc1ccc([Si](C)(C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 to decrease its LogP value.,C#Cc1ccc([Si](C)(C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1
MR,Optimize the molecule CC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(Br)c1 to have a higher MR value.,CC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(S)c(Br)c1
QED,Modify the molecule C=CCN1C(=O)CSc2nnc(COc3ccccc3Cl)n21 to decrease its QED value.,CC(=O)c1ccccc1OCc1nnc2n1N(CC=C)C(=O)CS2
AtomNum,"There is a molecule with 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CCN(C(=O)c1cc(Cl)ccc1O)C1CCCCC1C[NH3+]
BondNum,"There is a molecule consisting of 18 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",O=C(Cc1csc(NC(=O)N2CCN(c3ccccn3)CC2)n1)Nc1ccc2c(c1)OCO2
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",Cc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CC[NH+](C(C)C)CC2)cc(C)c1O
AddComponent,Please add a aldehyde to the molecule C1CCC(C2NC(C34CC5CC(CC(C5)C3)C4)=[NH+]C2C2CCCCC2)CC1.,O=CCC1CCCCC1C1NC(C23CC4CC(CC(C4)C2)C3)=[NH+]C1C1CCCCC1
SubComponent,Substitute a CCOC(=O)CCNC(=O)C(c1ccc(C)c(C)c1)N(C(=O)C(CS)NC(=O)OC(C)(C)C)C(C)C in the molecule thiol with a hydroxyl.,CCOC(=O)CCNC(=O)C(c1ccc(C)c(C)c1)N(C(=O)C(CO)NC(=O)OC(C)(C)C)C(C)C
DelComponent,Remove a halo from the molecule C=CCCC(NC(=O)COc1ccc(Br)cc1)C(=O)[O-].,C=CCCC(NC(=O)COc1ccccc1)C(=O)[O-]
LogP,Optimize the molecule O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F to have a higher LogP value.,O=c1[nH]c(=O)n(C2CCC(CO)O2)cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
MR,Please modify the molecule c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5)c5c(c4-c4ccccc4)-c4cccc6cccc-5c46)c3)n2)cc1 to decrease its MR value.,c1ccc(-c2ccnc(-c3cccc(-c4cc(-c5ccccc5)c5c(c4-c4ccccc4)-c4cccc6cccc-5c46)c3)n2)cc1
QED,Modify the molecule C[NH+](C)CCNC(=O)c1ccc(-c2nccs2)cc1 to decrease its QED value.,C[NH+](C)CCNC(=O)c1nccs1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 1 nitrogen atom, and 1 sulfur atom.",CC[NH2+]Cc1ccccc1SCc1ccccc1
BondNum,"Please generate a molecule composed of 18 single bonds, 1 double bond, 1 triple bond, and 5 rotatable bonds.",C#CCC1C(C)C(CC(C)C(CC)=C(C)C)C(C)P1C
FunctionalGroup,The molecule is composed of and 1 hydroxyl group.,CCCOCC1(O)CCCCC1CC
AddComponent,Please add a amine to the molecule CCCCC(OC1CC2CCC(C1)[NH+]2CCCC)c1ccccc1.,CCCCC(OC1CC2CCC(C1)[NH+]2CCC(C)N)c1ccccc1
SubComponent,Modify the molecule halo by substituting a CNc1ccc(Cn2ccc(C(F)(F)F)n2)cn1 with a hydroxyl.,CNc1ccc(Cn2ccc(C(O)(F)F)n2)cn1
DelComponent,Please remove a hydroxyl from the molecule CC(C#CC(O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)=Cc1ccccc1.,CC(C#CCc1ccccc1NS(=O)(=O)c1ccc(C)cc1)=Cc1ccccc1
LogP,Modify the molecule O=C([O-])CC[NH2+]Cc1ccc(N2CCC[NH2+]CC2)cc1 to have a lower LogP value.,O=C([O-])CC[NH2+]CN1CCC[NH2+]CC1
MR,Modify the molecule Cc1nn(C)c(N(C)CC(C)C#N)c1C=CC(=O)[O-] to decrease its MR value.,CCCN(C)c1c(C=CC(=O)[O-])c(C)nn1C
QED,Please optimize the molecule CC([NH2+]CCN(C)C(C)C)c1ccc(N(C)C)cc1 to have a lower QED value.,CC([NH2+]CCN(C)C(C)C)c1ccc(N(C)C)c(O)c1
AtomNum,"The molecule is composed of 30 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",C[NH+]1CCC([NH+]2CCC3(CC2)CC(c2cccc(O)c2)c2ccc(OC4CCCC4)cc2O3)CC1
BondNum,"There is a molecule composed of 18 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",C[NH+]=C(NCCc1ccc(Cl)nc1)NCc1ccccc1C[NH+]1CCCC(C)C1
FunctionalGroup,"The molecule contains 1 benzene ring group, 20 hydroxyl groups, 3 amide groups, and 3 halo groups.",[NH3+]CC(=O)Nc1c(Br)c(C(=O)N(CC(O)C(O)C(O)C(O)CO)CC(O)C(O)C(O)C(O)CO)c(Br)c(C(=O)N(CC(O)C(O)C(O)C(O)CO)CC(O)C(O)C(O)C(O)CO)c1Br
AddComponent,Please add a carboxyl to the molecule Cc1cccc(N2CC[NH+](CCCNC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)CC2)c1.,Cc1cccc(N2CC[NH+](CCCNC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)CC2)c1C(=O)O
SubComponent,Modify the molecule halo by substituting a COc1cc(C)c(F)c(C(N)C(F)(F)F)c1 with a aldehyde.,CC(=O)c1c(C)cc(OC)cc1C(N)C(F)(F)F
DelComponent,Modify the molecule Cc1c(N)ncnc1NC(CO)Cc1ccccc1 by removing a hydroxyl.,Cc1c(N)ncnc1NC(C)Cc1ccccc1
LogP,Modify the molecule CC(C(=O)NC(C[NH3+])C1CC1)C(F)(F)F to decrease its LogP value.,CC(C(=O)NC(C[NH3+])C1CC1)C(F)(F)S
MR,Please modify the molecule NNc1ccc(=O)n(S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 to increase its MR value.,NNc1ccc(=O)n(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1
QED,Optimize the molecule CCNc1nc2cc(OC)c(OC)cc2nc1NCCc1ccncc1 to have a lower QED value.,CCNc1nc2cc(OC)c(OCc3ccccc3)cc2nc1NCCc1ccncc1
AtomNum,"There is a molecule with 19 carbon atoms, 1 nitrogen atom, and 1 chlorine atom.",CCC1CCC(C[NH2+]C2CC2)C(Cc2ccc(Cl)cc2)C1
BondNum,"Please generate a molecule composed of 16 single bonds, 1 double bond, and 7 rotatable bonds.",O=C([O-])CSCC[NH+]1CCCN(CCS)CC1
FunctionalGroup,"Please generate a molecule consisting 4 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1NC(=O)C(NC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1)C(C)C
AddComponent,Please add a benzene ring to the molecule CCC(C)N(C(=O)C(CO)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccccc1C)c1c(C)cccc1C.,Cc1ccccc1NC(=O)C(c1c(C)cccc1C)N(C(=O)C(CO)NC(=O)OC(C)(C)C)C(C)C(C)c1ccccc1
SubComponent,Modify the molecule CCC1CN(C(=NC#N)N2CC(N3CCCC3=O)C(c3ccc(Cl)cc3)=N2)C1 by substituting a halo with a nitrile.,CCC1CN(C(=NC#N)N2CC(N3CCCC3=O)C(c3ccc(C#N)cc3)=N2)C1
DelComponent,Remove a amine from the molecule CCNC(NCC1(c2ccccc2)CC1)=[NH+]Cc1ccc(OC)cc1.,CCNC(CC1(c2ccccc2)CC1)=[NH+]Cc1ccc(OC)cc1
LogP,Modify the molecule COCCn1c(-c2ccccc2O)cc(=O)[nH]c1=S to increase its LogP value.,CC(=O)c1ccccc1-c1cc(=O)[nH]c(=S)n1CCOC
MR,Modify the molecule CC(C)(C)OC(=O)C1CC2(CC(=O)N(c3cccc(Cl)c3)C2)CN1C(=O)OC(C)(C)C to decrease its MR value.,CC(C)(C)OC(=O)C1CC2(CC(=O)N(Cl)C2)CN1C(=O)OC(C)(C)C
QED,Modify the molecule CCCCOc1ccccc1-c1cn[nH]c(=O)c1CO to have a lower QED value.,CCCCOc1ccccc1-c1cn[nH]c(=O)c1CNO
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CSc1ccc(-c2noc(COC3CCN(C(=O)OC(C)(C)C)CC3)n2)c(F)c1
BondNum,"There is a molecule with 15 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C(C)[NH2+]CCC2CCC(C)CC2)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ester group, 1 amine group, 1 halo group, 1 thioether group, and 1 sulfide group.",CCOC(=O)c1cnc(CSc2cccc(F)c2)nc1N
AddComponent,Please add a thiol to the molecule C=NC=CC(C(=O)[O-])=C(C)Nc1nn(CCC2CCCC2)c2ccc(F)cc12.,CC(Nc1nn(CCC2CCCC2)c2ccc(F)cc12)=C(C=CN=CS)C(=O)[O-]
SubComponent,Please substitute a halo in the molecule CC(C)(C)C(Cn1ccnc1)NC(=O)c1ccc(Cl)nc1 with a hydroxyl.,CC(C)(C)C(Cn1ccnc1)NC(=O)c1ccc(O)nc1
DelComponent,Modify the molecule amide by removing a O=C(NC1CCCN(C2CCCCC2)C1=O)NC1C2C[NH2+]CC21.,O=C(NC1C2C[NH2+]CC21)N(C1CCCCC1)C1CC1
LogP,Modify the molecule C=C1CCC[NH+](C(C=CC2=NC(C(C=C3C(CCC)=C=C(C)C(C)=CC3C)=NC)=CC(=O)C(=C)C2)=CC)CC1 to have a lower LogP value.,C=C1CCC[NH+](C(C=C(O)C2=NC(C(C=C3C(CCC)=C=C(C)C(C)=CC3C)=NC)=CC(=O)C(=C)C2)=CC)CC1
MR,Modify the molecule O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cc(Br)ccc1OCc1ccc(F)cc1 to decrease its MR value.,ONc1ccc(OCc2ccc(F)cc2)c(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c1
QED,Please optimize the molecule CC[NH+](CCOc1ccccc1C#N)CC(N)=O to have a lower QED value.,CC[NH+](CCOc1ccccc1)CC(N)=O
AtomNum,"There is a molecule with 24 carbon atoms, 6 oxygen atoms, and 4 nitrogen atoms.",COCCCNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)n(Cc2ccc(C)cc2)c1=O
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 21 aromatic bonds.",CC(C)(O)Cn1cc(-c2ccc(-c3cnn4cccc(C#CC(C)(C)C(N)=O)c34)cc2)cn1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 hydroxyl group, 1 amide group, 1 amine group, and 1 sulfone group.",CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2O)c1
AddComponent,Add a hydroxyl to the molecule CC(C)Oc1ccc(NC(=O)C(=O)NCC(C)c2ccccc2)cc1.,CC(C)Oc1ccc(NC(=O)C(=O)NCC(C)c2ccccc2O)cc1
SubComponent,Substitute a halo in the molecule CN(Cc1ccccc1Br)C(=O)c1ccc2[nH]ccc2c1 with a hydroxyl.,CN(Cc1ccccc1O)C(=O)c1ccc2[nH]ccc2c1
DelComponent,Modify the molecule benzene ring by removing a CCC[NH2+]C(c1ccc(Cl)cc1)c1ccc(CCC)cc1.,CCC[NH2+]C(Cl)c1ccc(CCC)cc1
LogP,Modify the molecule CCOC(=O)Cn1c(=NC(=O)CSCC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)sc2cc(Br)ccc21 to increase its LogP value.,CCOC(=O)Cn1c(=NC(=O)CSc2sc(C(=O)OCC)c(C)c2C(=O)OCC)sc2cc(Br)ccc21
MR,Modify the molecule CC1(C)C(C(=O)Nc2ccc(F)c(Cl)c2)C1(C)C to increase its MR value.,CC1(C)C(C(=O)Nc2cccc(Cl)c2)C1(C)C
QED,Modify the molecule CC1(C)CN(c2nc(N)ns2)CC1O to increase its QED value.,CC(=O)C1CN(c2nc(N)ns2)CC1(C)C
AtomNum,"The molecule consists of 20 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC(=O)NCc1cccc(C2CCCN2C(=O)CC2(O)CCCCC2)n1
BondNum,"There is a molecule with 14 single bonds, 1 double bond, 6 rotatable bonds, and 23 aromatic bonds.",COc1ccc(CN2C(=O)c3[nH]nc(-c4cc(Cl)ccc4O)c3C2c2ccc(OC)cc2)cc1
FunctionalGroup,"There is a molecule consisting of 1 ester group, and 1 amide group.",CCOC(=O)Cn1ccc2cc(NC(=O)C3([NH3+])CCOCC3)ccc21
AddComponent,Add a benzene ring to the molecule c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6c5)ccc43)c2)cc1.,c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)cc54)n3)c2)cc1
SubComponent,Substitute a halo in the molecule CC(C)Nc1cnnc(NCc2ccc(Cl)cc2)n1 with a aldehyde.,CC(=O)c1ccc(CNc2nncc(NC(C)C)n2)cc1
DelComponent,Remove a amine from the molecule CNCC[NH2+]CCN(C)CC[NH2+]CCN.,CCC[NH2+]CCN(C)CC[NH2+]CCN
LogP,Please modify the molecule N#CCC(N)c1cc(C(F)(F)F)cs1 to decrease its LogP value.,NC(CO)c1cc(C(F)(F)F)cs1
MR,Please modify the molecule CCOC(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccc(C#CC[NH+]3CCCCC3)cc21 to increase its MR value.,CCOC(=O)Cn1c(CCc2cccc(S)c2F)cc(=O)c2ccc(C#CC[NH+]3CCCCC3)cc21
QED,Please optimize the molecule CC(C)C(C)(O)C1(C)CNCC[NH2+]1 to have a lower QED value.,CC(C)C(C)(O)C1(C)[NH2+]CCNC1O
AtomNum,"Please generate a molecule with 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",CC(=CCNc1cccc(C)c1Br)C(=O)[O-]
BondNum,"Please generate a molecule composed of 14 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]C(C)c1ccc(OC)c(C[NH+](C)CC(C)C)c1
FunctionalGroup,The molecule contains and 1 sulfone group.,CC(C)c1cc(C(=O)[O-])cc(N(C)CCS(C)(=O)=O)n1
AddComponent,Please add a thiol to the molecule C[NH+]=C(NCCCOc1ccccc1C)N1CCN(c2ccccn2)CC1.,C[NH+]=C(NCCC(S)Oc1ccccc1C)N1CCN(c2ccccn2)CC1
SubComponent,Modify the molecule nitrile by substituting a N#Cc1cccc(C(=O)Nc2ccc3nc(SCc4cccnc4)sc3c2)c1 with a hydroxyl.,O=C(Nc1ccc2nc(SCc3cccnc3)sc2c1)c1cccc(O)c1
DelComponent,Please remove a CC(C)(C)c1cc(NC2CCC(N3C(=O)CCC3=O)CC2)nc(C(C)(C)C)n1 from the molecule amine.,CC(C)(C)c1cc(C2CCC(N3C(=O)CCC3=O)CC2)nc(C(C)(C)C)n1
LogP,Modify the molecule ClCC1(C[NH2+]CC2OCCc3ccccc32)CCCCC1 to have a lower LogP value.,OCC1(C[NH2+]CC2OCCc3ccccc32)CCCCC1
MR,Please modify the molecule CC1(C)CCC1Nc1ncccc1F to increase its MR value.,CC1(C)CCC1Nc1nc(N)ccc1F
QED,Modify the molecule Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n(-c3ccccc3Cl)n2)o1 to increase its QED value.,Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n(-c3ccccc3)n2)o1
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 bromine atom.",CC1(C(=O)NCC2CCCCC2Br)CCCC1
BondNum,"The molecule contains 16 single bonds, 2 double bonds, 9 rotatable bonds, and 29 aromatic bonds.",CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1C(C)C
FunctionalGroup,The molecule has and 1 ketone group.,O=C1c2ccccc2C2Cc3cc4ccccc4cc3CC12
AddComponent,Modify the molecule C[Si](C)(C)C#CC#CI by adding a benzene ring.,C[Si](C)(C#CC#CI)Cc1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 with a aldehyde.,CC(=O)c1cc(F)cc(C(=O)NCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1
DelComponent,Modify the molecule O=C(Nc1nnc(CCSc2ccccc2)o1)C1CCCN1S(=O)(=O)c1ccc(F)cc1 by removing a halo.,O=C(Nc1nnc(CCSc2ccccc2)o1)C1CCCN1S(=O)(=O)c1ccccc1
LogP,Modify the molecule CC(C)CNC(=O)C(C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O to have a lower LogP value.,CC(C)CNC(=O)C(C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2cccc(C(=O)O)c2C1=O
MR,Modify the molecule COc1ccc(C(CNC(=O)NCCCn2nc(C)cc2C)[NH+](C)C)cc1 to decrease its MR value.,COC(CNC(=O)NCCCn1nc(C)cc1C)[NH+](C)C
QED,Please optimize the molecule COCC1=[NH+]C(=O)C2C=CC=CC2=N1 to have a lower QED value.,COCC12C=CC=CC1=N2
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CC1[NH2+]CCCC1NC(=O)N1C2C=C(c3ccnn3C)CC1CC2
BondNum,"Please generate a molecule with 15 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Fc1cnc(N2CCC3(CC2)CC(Nc2ncccn2)CO3)nc1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, 3 amine groups, and 2 halo groups.",C[NH+]=C(NCCc1cc(Br)ccc1F)NC1CCN(C(=O)C2CCCC2)C1
AddComponent,Please add a carboxyl to the molecule NC(=[NH+]O)c1nccn1-c1nncs1.,NC(=[NH+]O)c1nccn1-c1nnc(C(=O)O)s1
SubComponent,Substitute a COc1ccc2c(c1Br)C(=O)N(CC1(c3cc4ncccc4o3)[NH2+]C(O)NC1=O)C2 in the molecule hydroxyl with a carboxyl.,COc1ccc2c(c1Br)C(=O)N(CC1(c3cc4ncccc4o3)[NH2+]C(C(=O)[OH])NC1=O)C2
DelComponent,Remove a benzene ring from the molecule CCCCC(O)=Cc1ccn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c(=O)n1.,CCCCC(O)=Cc1ccn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC=O)c(=O)n1
LogP,Please modify the molecule O=Cc1ccc(S(=O)(=O)NCCCO)cc1 to increase its LogP value.,O=Cc1ccc(S(=O)(=O)NCCCS)cc1
MR,Please optimize the molecule CN(CC1CC[NH+](C)C1)c1ncc(CO)c2ccccc12 to have a higher MR value.,CC(=O)Cc1cnc(N(C)CC2CC[NH+](C)C2)c2ccccc12
QED,Please modify the molecule CCOc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCOc1cc(C)ccc1C to increase its QED value.,CCOc1cc(CC(C(=S)S)c2ccccc2)ccc1OCCOc1cc(C)ccc1C
AtomNum,"The molecule has 11 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)CS(=O)(=O)N1Cc2[nH]cnc2CC1C(=O)[O-]
BondNum,"The molecule is composed of 17 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(-n2cccn2)c(C(=O)N2C3CC(C3)C(C)C2COc2ccc(F)cc2)n1
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 hydroxyl groups, 3 amide groups, 1 thioether group, and 1 thiol group.",[NH3+]C(Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CS)C(=O)[O-]
AddComponent,Modify the molecule c1nc2c(cc1CN1CC[NH2+]CC1)CCOC2 by adding a benzene ring.,c1ccc(-c2nc3c(cc2CN2CC[NH2+]CC2)CCOC3)cc1
SubComponent,Modify the molecule nitrile by substituting a N#Cc1cn[nH]c1SCc1ccccc1 with a carboxyl.,O=C([OH])c1cn[nH]c1SCc1ccccc1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(NC(=O)c2cccc3[nH]ncc23)cc1C.,CCNC(=O)c1cccc2[nH]ncc12
LogP,Modify the molecule CCCOc1ccc(C(=O)NCC(=O)NN=Cc2cccc(Cl)c2)cc1 to decrease its LogP value.,CCCOc1ccc(C(=O)NCC(=O)NN=CCl)cc1
MR,Optimize the molecule CCOC(=O)c1c(-n2c(C)cc(C(=O)CCl)c2C)sc2c1CCCC2 to have a higher MR value.,CCOC(=O)c1c(-n2c(C)cc(C(=O)CS)c2C)sc2c1CCCC2
QED,Please optimize the molecule Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)cccc2c1=O to have a lower QED value.,Cc1c(-c2cccc(C(=O)O)c2)oc2c(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)cccc2c1=O
AtomNum,"There is a molecule with 24 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(Br)cc1F
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 8 rotatable bonds, and 5 aromatic bonds.",CC(C)(CC(=O)[O-])CC(=O)NCCCn1cccn1
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 1 amide group, 2 amine groups, 3 halo groups, and 1 sulfone group.",Cc1c(-c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCN2
AddComponent,Add a benzene ring to the molecule CCCCC(C)C=CCC(C)C=CCO.,CCCCC(C)C=CCC(C)C=C(CO)c1ccccc1
SubComponent,Substitute a halo in the molecule COc1ccc(CC2(CBr)CC3CC3C2)cc1F with a nitro.,COc1ccc(CC2(CNO)CC3CC3C2)cc1F
DelComponent,Remove a halo from the molecule Fc1cc2[nH]c3c(c2c(F)c1F)COCC3.,Fc1cc(F)c2c3c([nH]c2c1)CCOC3
LogP,Optimize the molecule CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2C)c(C(=O)OCC)c1C to have a lower LogP value.,CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)C(F)(F)F)n2C)c(C(=O)OCC)c1C
MR,Modify the molecule O=C(NC1CC1)C(O)c1ccc2c(c1)OCCO2 to have a lower MR value.,OC1(c2ccc3c(c2)OCCO3)CC1
QED,Modify the molecule CCOC(=O)c1c(NC(=O)CSc2cccc(NC(=O)C(=Cc3c[nH]c4ccccc34)NC(=O)c3ccccc3)c2)sc2c1CCN(C(=O)OC(C)(C)C)C2 to increase its QED value.,CCOC(=O)c1c(NC(=O)CSc2cccc(NC(=O)C(=Cc3c[nH]c4ccccc34)NC=O)c2)sc2c1CCN(C(=O)OC(C)(C)C)C2
AtomNum,"The molecule has 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CS(=O)(=O)c1ccc(-c2nccn2-c2cccc3c2CCC3)cc1
BondNum,"There is a molecule consisting of 20 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(S(=O)(=O)OCC(O)C(O)C2OC(O)(C(=O)[O-])CC(O)C2C)cc1
FunctionalGroup,"There is a molecule composed of 1 ketone group, 1 ester group, and 1 sulfide group.",COC(=O)c1nc(-c2ccccn2)sc1C(C)=O
AddComponent,Modify the molecule CN(CC1CCCCC1O)C(=O)c1cccc(Cl)c1Cl by adding a nitrile.,CN(CC1CCC(C#N)CC1O)C(=O)c1cccc(Cl)c1Cl
SubComponent,Modify the molecule halo by substituting a Cc1ccc(C(=C2CC2)c2ccc(F)cc2)cc1 with a nitrile.,Cc1ccc(C(=C2CC2)c2ccc(C#N)cc2)cc1
DelComponent,Modify the molecule amine by removing a Cn1c(N)nc2ncn(C(=O)[O-])c2c1=O.,Cn1cnc2ncn(C(=O)[O-])c2c1=O
LogP,Please modify the molecule Cc1ccc(OCC(=O)Nc2ccc(Nc3cc(Cl)ccc3C)nc2)cc1 to decrease its LogP value.,Cc1ccc(OCC(=O)Nc2ccc(-c3cc(Cl)ccc3C)nc2)cc1
MR,Modify the molecule C#CCN(CC)S(=O)(=O)c1cc(C[NH2+]C)ccc1F to have a higher MR value.,C#CCN(CC)S(=O)(=O)c1cccc(C[NH2+]C)c1
QED,Modify the molecule Cc1ncccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 to have a lower QED value.,Cc1ncccc1NC(=O)NC(=O)C1CC1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCC(C)CC(=O)C1(C(C)C)CC[NH2+]C1
BondNum,"Please generate a molecule composed of 13 single bonds, 2 double bonds, 1 triple bond, and 1 rotatable bond.",C#CCN1C(=O)[NH+]=C(N)C12CCCCC2
FunctionalGroup,Please generate a molecule consisting and 1 hydroxyl group.,CC(C)=CC1OC2C(OC3=CCC4(C)C5(C)c6[nH]c7cccc(CC8OC8(C)C)c7c6CC5CCC4(O)C34OC24)C(C)(C)O1
AddComponent,Modify the molecule C=C(C)C[NH+](C)CC(C)(CC)C[NH3+] by adding a hydroxyl.,CCC(C)(C[NH3+])C[NH+](C)CC(C)=CO
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ccc(C(C)(C)CNC(=O)NC(C)CO)cc1 with a nitrile.,Cc1ccc(C(C)(C)CNC(=O)NC(C)CC#N)cc1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(S(=O)(=O)OCC2Cc3cc(F)cc(-c4cccnc4)c3O2)cc1.,CS(=O)(=O)OCC1Cc2cc(F)cc(-c3cccnc3)c2O1
LogP,Modify the molecule CCB(CC)C1CCCCC1C(OCCOC)C(C)(C)C to decrease its LogP value.,CCB(CCO)C1CCCCC1C(OCCOC)C(C)(C)C
MR,Modify the molecule O=C(Nc1ccccc1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1I to have a lower MR value.,O=C(Nc1ccccc1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1S
QED,Modify the molecule CC(CCc1ccco1)Nc1ccc2c(c1)OCCCO2 to decrease its QED value.,CC(CCc1ccco1)c1ccc2c(c1)OCCCO2
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",O=C([O-])CC1C[NH+](C2CCc3cc(Br)ccc3C2)C1
BondNum,"The molecule is composed of 11 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCC(C)(O)COc1cc(F)cc(C[NH2+]C)c1
FunctionalGroup,"The molecule is composed of 1 amide group, 1 halo group, and 1 sulfide group.",CCC(C)CN(C)C(=O)c1sccc1Br
AddComponent,Please add a aldehyde to the molecule C#CC(CC)NC(=O)C1(C[NH3+])CCCC1.,C#CC(NC(=O)C1(C[NH3+])CCCC1)C(C)CC=O
SubComponent,Modify the molecule halo by substituting a CCOC(=O)C(C)(C)ON1CC1(C(F)(F)F)C(F)(F)F with a carboxyl.,CCOC(=O)C(C)(C)ON1CC1(C(F)(F)F)C(F)(F)C(=O)[OH]
DelComponent,Remove a benzene ring from the molecule CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)cc1.,CCOc1ccc(CN(C)C(=O)S(=O)(=O)N2CCCCC2C)cc1
LogP,Please modify the molecule CC[NH+](CC#Cc1ccc2[nH]c3c(c2c1)C[NH+]1CC(CC(C(C)(F)F)C1)CC3(C(=O)OC)c1cc2c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C3(CC)C=CC[NH+]4CCC21C43)Cc1ccccc1 to decrease its LogP value.,CC[NH+](Cc1ccccc1)C(C#Cc1ccc2[nH]c3c(c2c1)C[NH+]1CC(CC(C(C)(F)F)C1)CC3(C(=O)OC)c1cc2c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C3(CC)C=CC[NH+]4CCC21C43)C(=O)O
MR,Please modify the molecule N#Cc1nc(C2CCOCC2)ccc1N to decrease its MR value.,Nc1ccc(C2CCOCC2)nc1
QED,Modify the molecule Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 to have a higher QED value.,Cc1nc(-c2ccc(O)c(Br)c2)ccc1C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1
AtomNum,"The molecule consists of 11 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CN(CCO)C(=O)c1ccc2nc(N)sc2c1
BondNum,"The molecule consists of 17 single bonds, and 5 rotatable bonds.",CC1CC(C)CC([NH2+]CC2(CCO)CC2)C1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, and 1 nitro group.",CC1=NC(C)N=C(c2ccccc2[N+](=O)[O-])C1C(=O)OC(C)C
AddComponent,Please add a benzene ring to the molecule CN1CC[NH+](CCC(=O)NN)C(C)(C)C1=O.,CN1C(=O)C(C)(C)[NH+](CCC(=O)NN)CC1c1ccccc1
SubComponent,Substitute a halo in the molecule O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)cc2)c(Br)c1 with a nitro.,ONc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Br)cc1
DelComponent,Please remove a amine from the molecule CN1C(=O)c2cccc3c(S(=O)(=O)NC4CCCCCC4)ccc1c23.,CN1C(=O)c2cccc3c(S(=O)(=O)C4CCCCCC4)ccc1c23
LogP,Optimize the molecule CCOc1ccc(C(Nc2ccccc2)C(=O)OC)cc1 to have a lower LogP value.,CCOc1ccc(C(Nc2ccccc2)C(=O)OCO)cc1
MR,Please optimize the molecule COc1ccc(C[NH2+]CCC(C)C[NH3+])c(OC)c1C to have a lower MR value.,COCC([NH2+]CCC(C)C[NH3+])OC
QED,Modify the molecule COc1ccc(S(=O)(=O)CCNC(=O)c2ccc(S(=O)(=O)c3ccc(C[NH3+])s3)cc2)cc1 to increase its QED value.,COS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)c2ccc(C[NH3+])s2)cc1
AtomNum,"The molecule consists of 26 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 2 fluorine atoms.",CCC1CC(=O)N(C(NC(=O)N2C=CN=CC2)c2ccccc2)N=C1c1ccc(OC(F)F)c(OC)c1
BondNum,"The molecule contains 11 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)CN(CC(C)C)C(=O)c1ncccc1O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 3 amine groups.",CNC(=O)CNc1ncc(-c2cccc(CNC(=O)[NH+]=C(N)N)c2)cn1
AddComponent,Add a carboxyl to the molecule COc1ccc2c(c1)C13CCCCC1C(C2)C(C(C)C1CC1)CC3.,COc1ccc2c(c1)C13CCCCC1C(C2)C(C(C)C1CC1C(=O)O)CC3
SubComponent,Modify the molecule CCCCCCCCSc1ccc(CC(C)(C)O)cc1 by substituting a hydroxyl with a carboxyl.,CCCCCCCCSc1ccc(CC(C)(C)C(=O)[OH])cc1
DelComponent,Modify the molecule benzene ring by removing a O=[N+]([O-])c1ccc([O-])c(C=NN2CCN(N=Cc3cc([N+](=O)[O-])ccc3[O-])CC2)c1.,O=[N+]([O-])C([O-])=NN1CCN(N=Cc2cc([N+](=O)[O-])ccc2[O-])CC1
LogP,Modify the molecule CN(Cc1ccccc1F)c1cc(Cl)ccc1C[NH3+] to have a higher LogP value.,CC(=O)c1ccccc1CN(C)c1cc(Cl)ccc1C[NH3+]
MR,Please optimize the molecule C[NH2+]C(c1scc(C)c1Cl)c1nccn1C to have a lower MR value.,C[NH2+]C(c1cc(C)cs1)c1nccn1C
QED,Modify the molecule Cc1nn(CCO)c(C)c1CN(CCC#N)CC1CC1 to decrease its QED value.,Cc1nn(CCO)c(C)c1CN(CCC(=O)[OH])CC1CC1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",O=[N+]([O-])c1ccc2c3c1ccc1cccc(c13)C1OC21
BondNum,"There is a molecule with 10 single bonds, 1 double bond, and 12 aromatic bonds.",C1=CN2c3c(cccc3N3c4ccccc4CC23)O1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amine group.",CC(C)(C)[NH2+]C1CCN(c2ccc(N)cc2)C1
AddComponent,Modify the molecule CN(CCC(=O)[O-])C(=O)NCC1CCCc2ccccc21 by adding a benzene ring.,CN(CCC(=O)[O-])C(=O)NCC1(c2ccccc2)CCCc2ccccc21
SubComponent,Please substitute a halo in the molecule CC1(C(=O)[O-])CCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl with a thiol.,CC1(C(=O)[O-])CCCN1C(=O)CCNc1ncc(C(F)(F)S)cc1Cl
DelComponent,Please remove a CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3Cl)C2c2c(C)[nH]c3ccccc23)cc1 from the molecule halo.,CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3)C2c2c(C)[nH]c3ccccc23)cc1
LogP,Please modify the molecule O=C([O-])NCC1CC[NH+](C2CN(S(=O)(=O)C(c3ccccc3)c3ccccc3)C2)CC1 to decrease its LogP value.,O=C([O-])NCC1CC[NH+](C2CN(S(=O)(=O)Cc3ccccc3)C2)CC1
MR,Optimize the molecule [NH3+]C1(c2ccc(-c3nc4c(=O)cccc-4[nH]c3-c3ccccc3)cc2)CCC1 to have a higher MR value.,[NH3+]C1(c2ccc(-c3nc4c(=O)cccc-4[nH]c3-c3ccccc3)c(O)c2)CCC1
QED,Modify the molecule CC1CCCC(Oc2ccncc2C[NH2+]C(C)C)C1 to have a lower QED value.,CC1CCCC(Oc2cc(N)ncc2C[NH2+]C(C)C)C1
AtomNum,"The molecule is composed of 7 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",O=[N+]([O-])c1ccc(Cn2cncn2)o1
BondNum,"Please generate a molecule with 10 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",CC(C)(CNC(=O)c1ccc(F)c(F)c1)c1c[nH]c2cc(Cl)ccc12
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, and 2 amine groups.",Cc1ccccc1NCC(O)CN(C)N
AddComponent,Add a amine to the molecule COc1cc2nccc(Oc3ccc4cc(NC(=O)c5ccc(Cl)cc5OC)ccc4c3)c2cc1OC.,COc1cc2nccc(Oc3ccc4cc(NC(=O)c5ccc(Cl)cc5OC)c(N)cc4c3)c2cc1OC
SubComponent,Please substitute a halo in the molecule COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N(C)CC5CCCO5)nc34)c2)cc1C(F)(F)F with a carboxyl.,COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N(C)CC5CCCO5)nc34)c2)cc1C(F)(F)C(=O)[OH]
DelComponent,Please remove a amide from the molecule CCNC(=O)C(C)[NH2+]Cc1ccc2c(c1)OCCO2.,CCC[NH2+]Cc1ccc2c(c1)OCCO2
LogP,Please modify the molecule CCC1OC(C)OC(C(C)C(C)=C(C)C(C)OC(=O)C(O)C(NC(=O)c2ccccc2)c2ccccc2)C1(C)C to increase its LogP value.,CCC1OC(C)OC(C(C)C(C)=C(C)C(C)OC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)C1(C)C
MR,Optimize the molecule CCOc1cc(C=NNC(=O)CC(=O)Nc2ccc(C)c(C)c2)cc(I)c1OC(C)C to have a lower MR value.,CCOc1cc(C=NNC(=O)CC(=O)Nc2ccc(C)c(C)c2)cc(S)c1OC(C)C
QED,Please modify the molecule C=Cc1cccc(O)c1OC(F)(F)F to increase its QED value.,C=Cc1cccc(O)c1OC(F)(F)C(=O)[OH]
AtomNum,"The molecule has 72 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 phosphorus atom.",O=P(c1ccccc1)(c1ccccc1)N1C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C713
BondNum,"The molecule has 14 single bonds, 8 rotatable bonds, and 11 aromatic bonds.",CCCc1noc(C[NH+](Cc2ccc(C(C)C)cc2)C2CC2)n1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, and 1 sulfide group.",CCC(=O)N(CCc1ccccc1)c1nc(-c2ccc(OC)cc2)cs1
AddComponent,Please add a hydroxyl to the molecule Cc1nn(C)c2ncc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)cc12.,Cc1nn(C)c2ncc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)c(O)c12
SubComponent,Modify the molecule halo by substituting a Cl[Sb]1n2c3c4ccccc4c2N=C2N=C(N=c4c5ccccc5c(n41)=NC1=NC(=N3)c3ccccc31)c1ccccc12 with a aldehyde.,CC(=O)[Sb]1n2c3c4ccccc4c2N=C2N=C(N=c4c5ccccc5c(n41)=NC1=NC(=N3)c3ccccc31)c1ccccc12
DelComponent,Modify the molecule CCC(CO)N(CC(=O)Nc1cc(C)no1)c1ccccc1 by removing a amide.,CCC(CO)N(c1ccccc1)c1cc(C)no1
LogP,Modify the molecule [NH3+]C1CCC(C[NH2+]C2C3C4CCC(C4)C23)CC1 to increase its LogP value.,[NH3+]C1CCC(C[NH2+]C2C3C4CCC(c5ccccc5)(C4)C23)CC1
MR,Optimize the molecule O=S1(=O)c2cccc3cccc(c23)N1CCn1cc(Br)cn1 to have a lower MR value.,O=C([OH])c1cnn(CCN2c3cccc4cccc(c34)S2(=O)=O)c1
QED,Modify the molecule COc1ccc(OC)c2c1CCN(CC(=O)[O-])C2=O to have a lower QED value.,COc1ccc2(OC)-c1CC2CC(=O)[O-]
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC1CC2CC(C(=O)NCCCNC(=O)c3ccc(F)cc3)(C1)CC(C)C2OO
BondNum,"There is a molecule with 17 single bonds, 2 double bonds, 12 rotatable bonds, and 17 aromatic bonds.",CCc1csc(C(CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])c1
FunctionalGroup,"The molecule consists of 4 benzene ring groups, 1 ketone group, and 2 sulfide groups.",CC(C)(C)[Si](OC1=C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)SC(=C2c3ccccc3C(=O)c3ccccc32)S1)(c1ccccc1)c1ccccc1
AddComponent,Add a hydroxyl to the molecule CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)OCC(Cl)(Cl)Cl)C(NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C.,CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)OCC(Cl)(Cl)Cl)C(NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)CO
SubComponent,Modify the molecule halo by substituting a Cc1cccnc1-c1cc(C[NH+]2CCC3(C=CC4(OO4)N3c3cccc(F)c3)CC2C)ccc1F with a nitrile.,Cc1cccnc1-c1cc(C[NH+]2CCC3(C=CC4(OO4)N3c3cccc(C#N)c3)CC2C)ccc1F
DelComponent,Remove a halo from the molecule CC(C)CC(CC#N)c1cc(F)ccc1F.,CC(C)CC(CC#N)c1ccccc1F
LogP,Please modify the molecule O=C1CC2CCC(CN1)[NH+]2Cc1ccccc1Cn1cccn1 to increase its LogP value.,O=C1CC2CCC(C(c3ccccc3)N1)[NH+]2Cc1ccccc1Cn1cccn1
MR,Please optimize the molecule O=C(CN1CC(=O)Oc2ccccc21)Nc1ccccc1Br to have a lower MR value.,O=C1CN(c2ccccc2Br)c2ccccc2O1
QED,Optimize the molecule CCC(CCO)NC(=O)c1cnn(-c2ccccc2Cl)c1 to have a lower QED value.,CCC(O)(CCO)NC(=O)c1cnn(-c2ccccc2Cl)c1
AtomNum,"Please generate a molecule composed of 25 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 5 fluorine atoms.",COc1ccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)NC(=O)C(F)(F)F)cc1F
BondNum,"Please generate a molecule with 12 single bonds, 4 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",CCn1c(-c2ccc(Cl)cc2)c(C(=O)C(=O)NC2=CC(=O)OC2)c2ccccc21
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 2 halo groups, and 1 sulfide group.",O=C(Nc1ccc(Br)cc1F)c1cc(-c2cccs2)nc2ccccc12
AddComponent,Please add a hydroxyl to the molecule COc1ccccc1C=CCN(CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)CC(C)(C)C.,CC(C)(C)CC(=O)N(CC=Cc1ccccc1OCO)CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1
SubComponent,Substitute a halo in the molecule O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1Br with a carboxyl.,O=C(NN=Cc1ccc(OCc2ccccc2C(=O)[OH])cc1)c1ccccc1Br
DelComponent,Modify the molecule nitrile by removing a CC(C)(CCC#N)C[NH2+]C(C)(CNC(=O)OC(C)(C)C)C1CC1.,CCC(C)(C)C[NH2+]C(C)(CNC(=O)OC(C)(C)C)C1CC1
LogP,Optimize the molecule Cn1nnc(CC(NN)c2ccc(C(F)(F)F)cn2)n1 to have a higher LogP value.,Cn1nnc(CC(N)c2ccc(C(F)(F)F)cn2)n1
MR,Please optimize the molecule CC(C)(C)[NH2+]CC1CC2CCCCC2N1 to have a lower MR value.,CC(C)(C)[NH2+]CC1CC2CCCCC21
QED,Optimize the molecule [NH3+]C1(c2ccc(-n3ncc4c3CCC4)cc2)CC1 to have a lower QED value.,[NH3+]C1(n2ncc3c2CCC3)CC1
AtomNum,"There is a molecule consisting of 54 carbon atoms, and 23 oxygen atoms.",CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(OC8OC(CO)C(O)C(O)C8O)C7(C)CCC56C)C4(C)CO)OC(C(=O)[O-])C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
BondNum,"The molecule is composed of 8 single bonds, 3 double bonds, 6 rotatable bonds, and 21 aromatic bonds.",COc1ccc2nc(N(N=Cc3ccco3)C(=O)C=Cc3ccccc3)sc2c1
FunctionalGroup,"The molecule is composed of 1 amide group, and 1 sulfone group.",CCC1(C)[NH2+]C(C(C)C)N(C2CCS(=O)(=O)C2)C1=O
AddComponent,Please add a carboxyl to the molecule Cc1ccnc(Nc2ccc(C(=O)[O-])c(C)c2)n1.,Cc1ccnc(Nc2cc(C)c(C(=O)[O-])cc2C(=O)O)n1
SubComponent,Please substitute a hydroxyl in the molecule CCC(C)C(NC(=O)C(CO)NC(=O)C(NC(=O)C([NH3+])CCSC)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)[O-])C(C)C with a nitrile.,CCC(C)C(NC(=O)C(CC#N)NC(=O)C(NC(=O)C([NH3+])CCSC)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)[O-])C(C)C
DelComponent,Remove a nitrile from the molecule COCc1c(C#N)nnn1-c1cc(OC)ccc1OC.,COCc1cnnn1-c1cc(OC)ccc1OC
LogP,Please modify the molecule O=C(Cc1ccccn1)N1CCC2CCC(C1)[NH2+]2 to increase its LogP value.,c1ccc(C2CC3CCC(C2)[NH2+]3)nc1
MR,Please optimize the molecule CCC(CC)N(CCO)C(=O)c1cc(N)ccc1C to have a lower MR value.,CCC(CC)N(CCO)C(=O)c1ccccc1C
QED,Please modify the molecule CC1CCC(N(C)c2ncnc(Cl)c2N)CC1 to decrease its QED value.,CC1CCC(N(C)c2cc(Cl)ncn2)CC1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 chlorine atoms.",CCc1cc(OC(C[NH3+])c2cccc(Cl)c2)ccc1Cl
BondNum,"The molecule has 11 single bonds, 7 rotatable bonds, and 17 aromatic bonds.",CCn1c(COc2ccc(F)c(Cl)c2)nnc1SCc1ccc(F)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 halo groups.",CC[NH2+]C(c1cccc(F)c1F)C(OCC)C(C)(C)C
AddComponent,Add a hydroxyl to the molecule Cc1ccn(CC(=O)N2CCCN(C)c3ccc(F)cc32)c(=O)c1.,Cc1ccn(CC(=O)N2CCCN(C)c3ccc(F)c(O)c32)c(=O)c1
SubComponent,Substitute a halo in the molecule COCc1cccc(OCC(=O)c2ccc(F)c(F)c2)c1 with a carboxyl.,COCc1cccc(OCC(=O)c2ccc(C(=O)[OH])c(F)c2)c1
DelComponent,Remove a halo from the molecule O=C=NC(F)(F)c1ccc(Cl)s1.,O=C=NC(F)(F)c1cccs1
LogP,Modify the molecule COC(=O)c1ccc2c(O)csc2c1Br to increase its LogP value.,COC(=O)c1ccc2c(S)csc2c1Br
MR,Modify the molecule O=C(Nc1ccccc1-c1cn2ccsc2[nH+]1)c1c[nH]c(=O)[nH]1 to decrease its MR value.,O=C(Nc1cn2ccsc2[nH+]1)c1c[nH]c(=O)[nH]1
QED,Optimize the molecule CCC1=C([NH+](C)C2CC2)N(CC)C(NC(=O)Nc2ccc(C)c(C(F)(F)F)c2)S1 to have a lower QED value.,CCC1=C([NH+](C)C2CC2)N(CC)C(NC(=O)Nc2ccc(C)c(C(F)(F)C(=O)[OH])c2)S1
AtomNum,"The molecule contains 15 carbon atoms, and 2 nitrogen atoms.",CNc1cccc(C([NH3+])c2ccc(C)cc2)c1
BondNum,"There is a molecule composed of 10 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",S=C(NCCc1cccc(Cl)c1)NCCc1cccc(Cl)c1
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,COc1ccc(C#CC2c3c(cc4c(c3OC)OCO4)CC[NH+]2C)cc1
AddComponent,Modify the molecule CC=C(C)C(=O)Nc1cccc(-n2cccc2)c1 by adding a carboxyl.,CC=C(C)C(=O)Nc1cccc(-n2cccc2C(=O)O)c1
SubComponent,Please substitute a halo in the molecule O=C(NCC(F)(F)F)Nc1cccc(-c2c[nH+]c3cc(C(=O)Cc4nccs4)ccn23)c1 with a aldehyde.,CC(=O)C(F)(F)CNC(=O)Nc1cccc(-c2c[nH+]c3cc(C(=O)Cc4nccs4)ccn23)c1
DelComponent,Modify the molecule CCNC(=[NH+]CCNC(=O)c1ccco1)N1CCC(Oc2ccccc2)CC1 by removing a benzene ring.,CCNC(=[NH+]CCNC(=O)c1ccco1)N1CCC(O)CC1
LogP,Modify the molecule COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c(OCCOCCO)c(OC)c1 to have a higher LogP value.,CCOCCOc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc(OC)cc1OC
MR,Modify the molecule COc1ccc(C2CC[NH+](CC3CCC(NC(=O)C=Cc4ccc(Cl)c(Cl)c4)C3)CC2O)cc1 to increase its MR value.,COc1ccc(C2CC[NH+](CC3CCC(NC(=O)C=Cc4ccc(S)c(Cl)c4)C3)CC2O)cc1
QED,Modify the molecule CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 to have a higher QED value.,CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1
AtomNum,"The molecule is composed of 17 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 1 sulfur atom.",CCCn1c(SCc2nc(C(C)(C)C)no2)nnc1-c1ccncc1
BondNum,"Please generate a molecule consisting 10 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",CC(NC(=O)c1ccoc1)C(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, and 3 halo groups.",Cc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1
AddComponent,Add a aldehyde to the molecule CC(=O)N1CCN(C(=O)CCNC(=O)N2CCCC3CCCC32)CC1.,CC(=O)N1CCN(C(=O)CCNC(=O)N2CCCC3CCCC32)CC1CC=O
SubComponent,Please substitute a hydroxyl in the molecule CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])[nH]n2)c(O)c1 with a carboxyl.,CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])[nH]n2)c(C(=O)[OH])c1
DelComponent,Modify the molecule halo by removing a Cc1cc(C(O)CNC(=O)c2ccccc2)ccc1F.,Cc1cccc(C(O)CNC(=O)c2ccccc2)c1
LogP,Optimize the molecule O=C(Nc1cc(-n2cnnn2)ccc1F)NC1CCOC2(CCSCC2)C1 to have a lower LogP value.,O=C(Nc1cc(-n2cnnn2)ccc1O)NC1CCOC2(CCSCC2)C1
MR,Modify the molecule CCC(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[NH+]1CCCC1 to have a higher MR value.,CCC(CNC(=O)C1CCN(C(=O)c2ccc(S)cc2)CC1)[NH+]1CCCC1
QED,Please modify the molecule CC([NH2+]Cc1ccc(Br)c(N)c1)C1CCOC1 to decrease its QED value.,CC([NH2+]Cc1ccc(Br)c(N)c1)C1COCC1c1ccccc1
AtomNum,"There is a molecule composed of 25 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",Nc1cccc(-c2ccc(CC[NH+]3CCC(NC(=O)Cc4ccc(F)cc4)C3)cc2)n1
BondNum,"There is a molecule composed of 11 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C=C2SC(=O)N(Cc3cccc(C)c3)C2=O)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 ester group, and 1 halo group.",CCCCC(C(=O)OC)=C(c1ccccc1)c1ccc(F)cc1
AddComponent,Add a hydroxyl to the molecule COC(=O)c1sccc1S(=O)(=O)NCC[NH+]1CCN(C(=O)c2ccsc2)CC1.,COC(=O)c1sccc1S(=O)(=O)NCC[NH+]1CCN(C(=O)c2csc(O)c2)CC1
SubComponent,Please substitute a Cn1ncc(Cl)c1C1CCCCC1Cl in the molecule halo with a thiol.,Cn1ncc(S)c1C1CCCCC1Cl
DelComponent,Modify the molecule COC(=O)Nc1cccc(CO)c1COc1ccc(C)cc1F by removing a hydroxyl.,COC(=O)Nc1cccc(C)c1COc1ccc(C)cc1F
LogP,Please modify the molecule CCn1cc(S(=O)(=O)N2CC(CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)F)cc32)c(=O)[nH]1 to decrease its LogP value.,CCn1cc(S(=O)(=O)N2CC(CNC(C)=O)Oc3ccc(NC(=O)OC(C)(C)C(F)(F)NO)cc32)c(=O)[nH]1
MR,Optimize the molecule C=CCN(C(=O)c1cc(COc2c(F)cccc2F)on1)C1CCS(=O)(=O)C1 to have a higher MR value.,C=CCN(C(=O)c1cc(COc2c(F)ccc(C#N)c2F)on1)C1CCS(=O)(=O)C1
QED,Modify the molecule COc1ccc(-c2nc(C(=O)NC3(C[NH3+])CCCC3)cs2)cc1 to decrease its QED value.,COc1nc(C(=O)NC2(C[NH3+])CCCC2)cs1
AtomNum,"The molecule has 11 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CC(C)([NH3+])CSCC(=O)NC1(C)CCS(=O)(=O)C1
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C(C[NH+]1CCCCC1)NNC(=S)Nc1ccc(I)cc1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)NC(=O)O2
AddComponent,Add a amine to the molecule CCOc1ccccc1-c1nnc(CC[NH3+])s1.,CCOc1ccccc1-c1nnc(C(N)C[NH3+])s1
SubComponent,Modify the molecule halo by substituting a CC=Cc1ccc(OCC(=O)NCc2ccc(OCC(F)(F)F)cc2)c(OC)c1 with a carboxyl.,CC=Cc1ccc(OCC(=O)NCc2ccc(OCC(F)(F)C(=O)[OH])cc2)c(OC)c1
DelComponent,Remove a amine from the molecule CC1CCCN(S(=O)(=O)NCC2CCCC2[NH3+])C1.,CC1CCCN(S(=O)(=O)CC2CCCC2[NH3+])C1
LogP,Modify the molecule CC1=NCC(c2ccc(F)nc2)=C([NH+]2CCC(C)(C)CC2)C1(F)C(OC(C)(C)C)C(=O)[O-] to decrease its LogP value.,CC1=NCC(c2ccc(F)nc2)=C([NH+]2CCC(C)(C)CC2)C1(F)C(OC(C)(C)CO)C(=O)[O-]
MR,Please optimize the molecule O=C(C1CCCN(C(=O)C2CC2)C1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 to have a higher MR value.,NC1(C(=O)N2CCCC(C(=O)N3CC=C(c4ccc5c(c4)OCCO5)CC3)C2)CC1
QED,Modify the molecule CCn1c(CNC(=O)c2nc3cc[nH]c3nc2N)[n+](CC)c2ccc(CCCNC(=O)OC(C)(C)C)cc21 to decrease its QED value.,CCn1c(CNC(=O)c2nc3cc[nH]c3nc2N)[n+](CC)c2ccc(CCCNC(=O)OC(C)(C)CO)cc21
AtomNum,"There is a molecule consisting of 14 carbon atoms, and 2 nitrogen atoms.",CCCC(C[NH2+]C1CC1)N(C)C(C)C(C)C
BondNum,"The molecule contains 20 single bonds, 1 double bond, 2 rotatable bonds, and 5 aromatic bonds.",O=C(NC1CCC2CCCC2C1)N1CCOCC1c1ncn[nH]1
FunctionalGroup,"The molecule is composed of 1 amine group, and 3 halo groups.",CNc1nc2c(Cl)cc(Cl)c(Cl)c2cc1C(C)C
AddComponent,Modify the molecule COc1ccc2ccccc2c1C1=C(C)C(C2C(=O)Nc3ccc(Br)c(C)c32)c2ccccc21 by adding a benzene ring.,COc1ccc2c(-c3ccccc3)cccc2c1C1=C(C)C(C2C(=O)Nc3ccc(Br)c(C)c32)c2ccccc21
SubComponent,Please substitute a hydroxyl in the molecule CSC(CO)C(C)Nc1nnc2ccccc2n1 with a halo.,CSC(CF)C(C)Nc1nnc2ccccc2n1
DelComponent,Remove a amide from the molecule CN(CC(=O)Nc1nc2cc(F)c(F)cc2s1)S(=O)(=O)c1ccc2ccccc2c1.,CN(c1nc2cc(F)c(F)cc2s1)S(=O)(=O)c1ccc2ccccc2c1
LogP,Modify the molecule Cc1ccccc1-n1c(=O)n(Cc2ccccc2)c(=O)c2c1ncn2C(C)c1ccccc1 to have a lower LogP value.,Cc1ccccc1-n1c(=O)n(C)c(=O)c2c1ncn2C(C)c1ccccc1
MR,Modify the molecule C#CC[NH2+]C(COS(=O)c1ccc([N+](=O)[O-])cc1)(NC(=O)OC(C)(C)C)C(=O)OC to have a higher MR value.,COC(=O)C(COS(=O)c1ccc([N+](=O)[O-])cc1)(NC(=O)OC(C)(C)C)[NH2+]CC#CO
QED,Please optimize the molecule CCCC1(NC(=O)NCC(CC(C)C)C(=O)[O-])CCOC1 to have a lower QED value.,CCCC1(NC(=O)NCC(C(=O)[O-])C(C(=O)O)C(C)C)CCOC1
AtomNum,"There is a molecule composed of 38 carbon atoms, 6 oxygen atoms, 4 nitrogen atoms, 3 sulfur atoms, and 3 fluorine atoms.",COC(=O)NC(C(=O)Nc1cccc(F)c1SCC(CO)N(CC1CC(F)(F)C1)S(=O)(=O)c1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1
BondNum,"The molecule has 8 single bonds, 3 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCn1cc(Br)cc1C(=O)NCCN=[N+]=[N-]
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, and 2 amide groups.",COc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCc3ccco3)cc2)cc1
AddComponent,Modify the molecule COCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1F by adding a benzene ring.,COCCN(CC(F)(F)F)S(=O)(=O)c1c(F)cc(F)cc1-c1ccccc1
SubComponent,Modify the molecule C=CC(C#CC#Cc1ccc(NC(=O)C[NH+](C)C)cc1)=CC=CC(=O)NC(C(=O)NO)C(C)O by substituting a hydroxyl with a nitrile.,C=CC(C#CC#Cc1ccc(NC(=O)C[NH+](C)C)cc1)=CC=CC(=O)NC(C(=O)NC#N)C(C)O
DelComponent,Please remove a hydroxyl from the molecule CCC(CC)Oc1cc(C)c2n[n+](CC(=O)c3cc(OCCCCO)c(OC)c(C(C)(C)C)c3)c(N)n2n1.,CCCCOc1cc(C(=O)C[n+]2nc3c(C)cc(OC(CC)CC)nn3c2N)cc(C(C)(C)C)c1OC
LogP,Modify the molecule CCCC(=O)N(CCC(=C=O)[NH+]1CCC(c2ccc(C)c(NC(=O)c3ccc(OC)cc3)c2C)CC1)c1ccccc1 to have a lower LogP value.,CCCC(=O)N(c1ccccc1)C(CC(=C=O)[NH+]1CCC(c2ccc(C)c(NC(=O)c3ccc(OC)cc3)c2C)CC1)C(=O)O
MR,Modify the molecule Cc1ccc(Nc2cccc(F)c2C)c(C#N)c1 to have a lower MR value.,Cc1c(F)cccc1N(C)C#N
QED,Modify the molecule C=CCOC(=O)NCCCC1NC(=O)C(CC(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=O)OCC=C)NC(=O)C(CC(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)NC1=O to have a lower QED value.,C=CCOC(=O)NCCCC1NC(=O)C(CC(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)(CC(C)C)NC(=O)C(CCCNC(=O)OCC=C)NC(=O)C(CC(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)NC1=O
AtomNum,"There is a molecule consisting of 12 carbon atoms, 2 oxygen atoms, and 3 fluorine atoms.",CCCC(O)C(=O)c1cccc(C(F)(F)F)c1
BondNum,"There is a molecule with 4 single bonds, 1 rotatable bond, and 12 aromatic bonds.",Oc1ccc(Br)cc1-c1ccc(F)cc1
FunctionalGroup,"The molecule is composed of 1 ester group, and 1 amide group.",CCOC(=O)CCC[NH2+]CC(=O)N1CCCCCCC1
AddComponent,Please add a benzene ring to the molecule CC(CNC=S)c1ccc(C(C)CNC=S)cc1.,CC(CNC=S)c1ccc(C(C)C(NC=S)c2ccccc2)cc1
SubComponent,Modify the molecule hydroxyl by substituting a CCCCCCOC1C(O)C(COSC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1n1cnc2c(N)ncnc21 with a aldehyde.,CC(=O)C1C(COSC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(n2cnc3c(N)ncnc32)C1OCCCCCC
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(CNc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccn2)cc1.,COCNc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccn1
LogP,Please modify the molecule CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCC(C)C to increase its LogP value.,CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCC(C)Cc1ccccc1
MR,Please modify the molecule COc1ccc(Cl)cc1C(O)c1cccc(OC2CC2)c1 to increase its MR value.,CC(=O)C(c1cccc(OC2CC2)c1)c1cc(Cl)ccc1OC
QED,Please optimize the molecule Cc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccco2)cc1Br to have a lower QED value.,O=C(C=Cc1ccco1)NC(=S)NNC(=O)c1ccc(CO)c(Br)c1
AtomNum,"There is a molecule with 21 carbon atoms, 3 oxygen atoms, and 6 nitrogen atoms.",CC(C)Cn1nnc2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2c1=O
BondNum,"The molecule consists of 8 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(Cl)s2)c1C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, and 6 halo groups.",CCNC(c1ccc(F)c(C)c1)C(F)(F)C(F)(F)F
AddComponent,Add a nitrile to the molecule CC(C)(C)OC(=O)NCCOc1ccc(CSC(=O)C(C)(C)C)c(CSC(=O)C(C)(C)C)c1.,CC(C)(C)OC(=O)NC(C#N)COc1ccc(CSC(=O)C(C)(C)C)c(CSC(=O)C(C)(C)C)c1
SubComponent,Substitute a halo in the molecule CC(C)C([NH3+])CC(=O)N(C)Cc1ccc(OC(F)F)cc1 with a carboxyl.,CC(C)C([NH3+])CC(=O)N(C)Cc1ccc(OC(F)C(=O)[OH])cc1
DelComponent,Remove a hydroxyl from the molecule CC(C)c1ccc(COc2ccc(Br)cc2C(C)O)cc1.,CCc1cc(Br)ccc1OCc1ccc(C(C)C)cc1
LogP,Please optimize the molecule CCCCCCOC(=O)Oc1ccccc1C(=O)Oc1nccnc1-c1cccc(OCC(C)CC)c1 to have a lower LogP value.,CCCCCCOC(=O)Oc1ccccc1C(=O)Oc1nccnc1OCC(C)CC
MR,Optimize the molecule CC(=O)Oc1cnc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1N(C)CC(=O)NC1CCCC1 to have a higher MR value.,CC(=O)Oc1cnc(Cc2ccc(NC(=O)c3ccc4cccc(CC=O)c4c3)cc2)nc1N(C)CC(=O)NC1CCCC1
QED,Modify the molecule CC(C)CCCOC(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(C)C to have a higher QED value.,CC(C)CCCOC(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)C(C)C
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(Nc2cncc3ccccc23)cc1OC
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1CC(C(=O)Nc2ccc(Br)cc2C(=O)[O-])CO1
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, and 1 ketone group.",CC1=NOC(C(O)C(C)C2CCC3C4CC(=O)C5CCCCC5(C)C4CCC23C)C1
AddComponent,Modify the molecule CCOC(=O)C([NH3+])CCSCCCC1CCCO1 by adding a benzene ring.,CCOC(=O)C([NH3+])C(CSCCCC1CCCO1)c1ccccc1
SubComponent,Please substitute a nitrile in the molecule C=C(C[NH2+]CCC)COc1c(C#N)oc2ccccc12 with a hydroxyl.,C=C(C[NH2+]CCC)COc1c(O)oc2ccccc12
DelComponent,Remove a benzene ring from the molecule CCOP(=O)(OCC)c1ccccc1Cn1c(=O)ccn(C2CCCO2)c1=O.,CCOP(=O)(Cn1c(=O)ccn(C2CCCO2)c1=O)OCC
LogP,Modify the molecule CCNC(=NCC(c1cccs1)[NH+]1CCOC(C)C1)N1CCC(CC(=O)NC)CC1 to increase its LogP value.,CCNC(=NCC(c1sccc1-c1ccccc1)[NH+]1CCOC(C)C1)N1CCC(CC(=O)NC)CC1
MR,Optimize the molecule CNC(CCCOC)C(F)(F)F to have a higher MR value.,CNC(CCCOC)(c1ccccc1)C(F)(F)F
QED,Please modify the molecule Cn1c(SCc2cccc(F)c2)nnc1-c1cccs1 to decrease its QED value.,Cn1c(SCc2cccc(S)c2)nnc1-c1cccs1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC1CCCN(C(=O)c2cccc(C(=O)NCc3ccccc3)c2)C1
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, and 8 rotatable bonds.",COCCCNC(=O)C(C)OCC(C)(C)[NH3+]
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",Cc1ccc(C(NC(=O)C(C)C2CCOCC2)C(=O)[O-])cc1C
AddComponent,Add a hydroxyl to the molecule CC(O)C1C(=O)N2C(C(=O)[O-])=C(SC3C[NH2+]C(C(=O)NC4C[NH2+]C4)C3)C(C)C12.,CC1C(SC2C[NH2+]C(C(=O)NC3C[NH2+]C3)C2)=C(C(=O)[O-])N2C(=O)C(C(O)CO)C12
SubComponent,Substitute a CCC(C(=O)N1CCCC2CCCC21)C(N)=[NH+]O in the molecule hydroxyl with a nitro.,CCC(C(=O)N1CCCC2CCCC21)C(N)=[NH+]NO
DelComponent,Please remove a amine from the molecule CCNC(NC1CCN(C(=O)C(C)C)CC1)=[NH+]CCCOC1CCCc2ccccc21.,CCNC(CCCOC1CCCc2ccccc21)NC1CCN(C(=O)C(C)C)CC1
LogP,Modify the molecule CC(C)(C)OC(=O)N1CCCC1c1ccccc1-c1cncn1C1CC1 to decrease its LogP value.,CC(C)(C)OC(=O)N1CCCC1c1cncn1C1CC1
MR,Modify the molecule CN1C(=O)C(C)(C(CC(=O)c2ccccc2)c2ccccc2)c2ccccc21 to have a lower MR value.,CN1C(=O)C(C)(CCC(=O)c2ccccc2)c2ccccc21
QED,Modify the molecule CC(CC(=O)O)ON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3cc(N)nc(N)[n+]3C)CSC12)c1csc(N)n1 to increase its QED value.,CC(CC(=O)O)ON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3cc(N)nc[n+]3C)CSC12)c1csc(N)n1
AtomNum,"The molecule consists of 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(C)(CN1CCC[NH2+]C(c2ccccc2)C1)S(C)(=O)=O
BondNum,"Please generate a molecule composed of 12 single bonds, 1 double bond, and 5 rotatable bonds.",NC(=O)OCC[NH2+]CC1CCSC1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 5 amide groups, and 1 halo group.",COc1ccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)NCC(C)C)cc3C)CC2)cc1NC(=O)c1cccc(F)c1
AddComponent,Add a benzene ring to the molecule C=C(C)C(=O)OCC(O)COc1ccccc1C(C)(C)c1ccccc1OCC(O)COC(=O)C(=C)C.,C=C(C)C(=O)OCC(O)COc1ccccc1C(C)(C)c1ccccc1OCC(O)(COC(=O)C(=C)C)c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CC1(C)OB(c2cc(C3(O)CC3)ncc2O)OC1(C)C with a nitrile.,CC1(C)OB(c2cc(C3(C#N)CC3)ncc2O)OC1(C)C
DelComponent,Please remove a C[NH+](CCC(=O)NCc1cccs1)CCc1ccccn1 from the molecule amide.,C[NH+](CCc1ccccn1)CCc1cccs1
LogP,Please modify the molecule CCCCCC(C)[NH2+]C1CCCC1(C)CO to increase its LogP value.,CCCCCC(C)[NH2+]C1CCCC1(C)C
MR,Modify the molecule Cc1nc(Nc2ccc(C)c(C)c2)cc(N2CCC(C)CC2)n1 to decrease its MR value.,CCNc1cc(N2CCC(C)CC2)nc(C)n1
QED,Modify the molecule CCCC(CC(=O)OC(C)(C)C)C(=O)NC1CC2C=[N+](CCCCCCNC1=O)c1ccccc12 to have a lower QED value.,CCCC(CC(=O)OC(C)(C)C)C(=O)NC1C(=O)NCCCCCC[N+]2=CC(c3ccccc32)C1c1ccccc1
AtomNum,"There is a molecule consisting of 23 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCNC(NCC(C)[NH+]1CCOCC1)=[NH+]Cc1ccc(C(=O)N2CCCCC2)cc1
BondNum,"Please generate a molecule with 51 single bonds, 11 double bonds, 31 rotatable bonds, and 22 aromatic bonds.",CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)N1CCCC1C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CC(N)=O)C(N)=O
FunctionalGroup,"Please generate a molecule composed of 1 ketone group, and 1 sulfone group.",CCC1CC(=O)C2CN1C(=O)N2OS(=O)(=O)[O-]
AddComponent,Modify the molecule c1cc(-c2ccc3c(c2)C[NH2+]CC3)c2cc[nH]c2n1 by adding a hydroxyl.,Oc1c(-c2ccnc3[nH]ccc23)ccc2c1C[NH2+]CC2
SubComponent,Please substitute a Nc1ncnc(N2CCS(=O)CC2)c1Cl in the molecule halo with a hydroxyl.,Nc1ncnc(N2CCS(=O)CC2)c1O
DelComponent,Remove a benzene ring from the molecule O=CCc1ccc(OCCCO)cc1.,O=CCOCCCO
LogP,Please optimize the molecule OCc1nnn(-c2cc(Cl)cc(Cl)c2)c1-c1ccco1 to have a lower LogP value.,OCc1nnn(-c2cc(Cl)cc(Cl)c2)c1-c1cc(O)co1
MR,Please optimize the molecule Cc1ccc(OC(C)C(=O)NCCc2cn3ccccc3[nH+]2)cc1 to have a higher MR value.,CC(Oc1ccc(CO)cc1)C(=O)NCCc1cn2ccccc2[nH+]1
QED,Please optimize the molecule Cc1ccc(-n2c(SCC(=O)N(CC3CCCO3)C3CCS(=O)(=O)C3)nc3ccccc32)cc1 to have a higher QED value.,Cn1c(SCC(=O)N(CC2CCCO2)C2CCS(=O)(=O)C2)nc2ccccc21
AtomNum,"The molecule contains 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, 3 fluorine atoms, and 1 chlorine atom.",O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2c(C(F)(F)F)cccc2s1
BondNum,"There is a molecule with 29 single bonds, 4 double bonds, 9 rotatable bonds, and 11 aromatic bonds.",Cc1nnc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCC(C)CC4)ccc3C)CC2)s1
FunctionalGroup,The molecule has and 1 benzene ring group.,CC(C)C([NH3+])Cc1ccc(-c2cccnc2)cc1
AddComponent,Modify the molecule CCCCC([NH3+])(CCCC)C1(c2ccccc2)CC[NH+](CCC(c2ccccc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 by adding a hydroxyl.,CCCCC([NH3+])(CCCC)C1(c2ccccc2O)CC[NH+](CCC(c2ccccc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
SubComponent,Please substitute a halo in the molecule CCOC(=O)CN(CCOC)C(=O)c1cc(Br)cc(Br)c1 with a aldehyde.,CC(=O)c1cc(Br)cc(C(=O)N(CCOC)CC(=O)OCC)c1
DelComponent,Remove a benzene ring from the molecule CC(=O)NCCNC(=O)Cc1ccc(NC(C)=O)cc1.,CC(=O)NCCNC(=O)CNC(C)=O
LogP,Please modify the molecule Cc1ncc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)s1 to decrease its LogP value.,Cc1ncc(CNC(=O)c2cnn(-c3ccc(O)cc3)c2C(C)C)s1
MR,Modify the molecule C[NH2+]Cc1ccc(N2CCNC(=O)C2C)cc1Br to decrease its MR value.,C[NH2+]Cc1ccc(N2CCNC(=O)C2C)cc1O
QED,Modify the molecule CCNc1c(N)c[nH+]c2sc3c(=O)n(C4CCCCC4)cnc3c12 to have a higher QED value.,CCNc1cc[nH+]c2sc3c(=O)n(C4CCCCC4)cnc3c12
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CCc1cc(N(C)CC)ncc1-c1nc(CC)c(NC(CC)CC)nc1OC
BondNum,"The molecule is composed of 12 single bonds, 3 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",CN(C)C(=O)c1cc(NC(=O)C=Cc2ccc(Oc3cccnc3)c(F)c2)ccc1Cl
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, 1 amide group, and 1 sulfide group.",CC(C)CN(C)C(=O)c1ccc(C#CCO)s1
AddComponent,Modify the molecule Nc1ccc(-n2nnc(S(=O)(=O)c3ccccc3Br)c2-c2ccccc2)cc1 by adding a hydroxyl.,Nc1ccc(-n2nnc(S(=O)(=O)c3ccc(O)cc3Br)c2-c2ccccc2)cc1
SubComponent,Modify the molecule CC1(C)c2cc3c(cc2C(C)(C)N1O)C1=[N+]2C3=Nc3c4cc5c(cc4c4n3C23n2c(c6cc7c(cc6c2=NC2=[N+]3C(=N4)c3cc4c(cc32)C(C)(C)N(O)C4(C)C)C(C)(C)N(O)C7(C)C)=N1)C(C)(C)N(O)C5(C)C by substituting a hydroxyl with a carboxyl.,CC1(C)c2cc3c(cc2C(C)(C)N1O)C1=[N+]2C3=Nc3c4cc5c(cc4c4n3C23n2c(c6cc7c(cc6c2=NC2=[N+]3C(=N4)c3cc4c(cc32)C(C)(C)N(C(=O)[OH])C4(C)C)C(C)(C)N(O)C7(C)C)=N1)C(C)(C)N(O)C5(C)C
DelComponent,Remove a amide from the molecule CCOC(=O)C1CCCN(C(=O)c2c(C)nc3c(Br)cc(C)cn23)C1.,CCOC(=O)C1CCCC1c1(C)nc2c(Br)cc(C)cn2-1
LogP,Modify the molecule Fc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2ccnc(NCCc3ccncc3)c2)c1 to increase its LogP value.,Fc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2ccnc(NCCc3ccncc3-c3ccccc3)c2)c1
MR,Please optimize the molecule Cc1cc(Nc2ccc(Cl)c3cccnc23)nc(NN)n1 to have a lower MR value.,Cc1cc(Nc2cccc3cccnc23)nc(NN)n1
QED,Please optimize the molecule COCC[NH2+]C(C)C(C)c1c(Cl)cnn1CC[NH+](C)C to have a lower QED value.,COCC[NH2+]C(C)C(C)c1c(Cl)c(O)nn1CC[NH+](C)C
AtomNum,"Please generate a molecule with 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",Nc1cccc(OCCSc2ccc(F)cc2)c1
BondNum,"There is a molecule composed of 15 single bonds, 3 double bonds, 9 rotatable bonds, and 23 aromatic bonds.",O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1
FunctionalGroup,The molecule consists of and 1 benzene ring group.,C=CCCc1ccc(NC(=O)OCc2ccccc2)c(=O)[nH]1
AddComponent,Please add a hydroxyl to the molecule N=C1C=NC2=CN=C[N+]2([NH3+])C1.,N=C1C=NC2=CN=C(O)[N+]2([NH3+])C1
SubComponent,Substitute a hydroxyl in the molecule CCCNc1nc(C)nc(N2CCCC(O)C2)c1C with a aldehyde.,CC(=O)C1CCCN(c2nc(C)nc(NCCC)c2C)C1
DelComponent,Remove a benzene ring from the molecule NC(=O)NC(CC(=O)NCc1ccccc1Cl)c1ccccc1.,NC(=O)NC(CC(=O)NCCl)c1ccccc1
LogP,Optimize the molecule CCNC(=NCC(c1ccco1)[NH+]1CCCCC1)NC1CCC(O)CC1 to have a higher LogP value.,CCNC(=NCC(c1ccco1)[NH+]1CCCCC1)NC1CCC(S)CC1
MR,Please modify the molecule O=C([O-])CN(CC(=O)N1CCC(O)(CC2CCCC2)CC1)C1CCCCC1[NH+](CC(=O)[O-])CC(=O)N1CCC(O)(CC2CCCC2)CC1 to increase its MR value.,NC1CN(C(=O)CN(CC(=O)[O-])C2CCCCC2[NH+](CC(=O)[O-])CC(=O)N2CCC(O)(CC3CCCC3)CC2)CCC1(O)CC1CCCC1
QED,Modify the molecule O=C(NCc1ccc(F)c(CO)c1)C1=Cc2cc(F)ccc2OC1 to decrease its QED value.,O=C(NCc1ccc(C(=O)[OH])c(CO)c1)C1=Cc2cc(F)ccc2OC1
AtomNum,"Please generate a molecule with 19 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CC1CC2CC(O)(C1)CC(C)C2Nc1c(C(N)=O)c[nH+]c2[nH]ccc12
BondNum,"There is a molecule consisting of 17 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCOc1cc(C=CC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1OC
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 hydroxyl group, 3 amide groups, 2 thioether groups, and 1 sulfide group.",CCOc1ccc(NC(=O)C2C3C(=O)N(C(CO)C(C)CC)C(C(=O)Nc4ccc(N(CC)CC)cc4)C34CCC2(C)S4)cc1
AddComponent,Modify the molecule CCOC(=O)C(Cc1cn(C)c2ccc(OC)cc12)N=Cc1ccccc1 by adding a carboxyl.,CCOC(=O)C(Cc1cn(C)c2ccc(OC)cc12)N=Cc1ccc(C(=O)O)cc1
SubComponent,Modify the molecule COCC[NH+](Cc1cccc(C(N)=S)c1F)C(C)C by substituting a halo with a aldehyde.,CC(=O)c1c(C[NH+](CCOC)C(C)C)cccc1C(N)=S
DelComponent,Remove a amide from the molecule Cc1ccc(NC(=O)C([NH3+])CC2CCCCC2)nc1.,Cc1ccc(C([NH3+])C2CCCCC2)nc1
LogP,Please modify the molecule CC1CC(C)CC(C(=O)C2COCC[NH2+]2)C1 to increase its LogP value.,CC1CC(C(=O)C2COCC[NH2+]2)CC(C)C1c1ccccc1
MR,Please optimize the molecule CSc1ccc(C=CC(=O)OCc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1 to have a lower MR value.,CSc1ccc(C=CC(=O)OCc2ncnc(Nc3ccc(C)cc3)n2)cc1
QED,Optimize the molecule CC(NC(=O)C1CCC(=O)N1)c1ccccc1Br to have a lower QED value.,CC(NC(=O)C1CCC(=O)N1)c1cc(O)ccc1Br
AtomNum,"There is a molecule with 21 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",O=S(=O)(c1ccc(F)cc1)N1CCCCC1c1noc(COCc2ccccc2)n1
BondNum,"The molecule consists of 2 single bonds, 2 double bonds, 2 rotatable bonds, and 10 aromatic bonds.",O=C=NCc1cccc2oncc12
FunctionalGroup,There is a molecule with and 3 halo groups.,C=CC1(F)CC1(F)Br
AddComponent,Please add a benzene ring to the molecule COC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1.,COC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2-c2ccccc2)CC1
SubComponent,Please substitute a halo in the molecule CCCC(C)(C)[NH2+]Cc1ccc(Br)c(Br)c1 with a hydroxyl.,CCCC(C)(C)[NH2+]Cc1ccc(O)c(Br)c1
DelComponent,Modify the molecule CCC(C)(CC)NS(=O)(=O)c1cccc(CO)c1 by removing a benzene ring.,CCC(C)(CC)NS(=O)(=O)CO
LogP,Modify the molecule CCC(CO)N(CC(C)C(=O)OC)C(=O)C=Cc1cccc(OC)c1 to decrease its LogP value.,CCC(CNO)N(CC(C)C(=O)OC)C(=O)C=Cc1cccc(OC)c1
MR,Please optimize the molecule CCn1nc(COc2c(C)cccc2C)c2ccccc21 to have a higher MR value.,CCn1nc(COc2c(C)ccc(C(=O)O)c2C)c2ccccc21
QED,Modify the molecule COc1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1Cl to have a lower QED value.,COc1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1O
AtomNum,"The molecule consists of 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",C[NH2+]CCN(C)C(=O)CNC(=O)CCC1CCCC1
BondNum,"The molecule has 89 single bonds, 8 double bonds, 24 rotatable bonds, and 35 aromatic bonds.",C[NH2+]C(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC(C)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)[O-])NC(=O)C(NC=O)C(OC3CC(C)([NH3+])C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(OC3OC(C[NH2+]CCSCc4ccco4)C(O)C(O)C3O)C(O)C2O)Oc2ccc(cc2Cl)C1O
FunctionalGroup,"There is a molecule consisting of 2 amide groups, 2 thioether groups, and 1 sulfide group.",CC1CN(C(=O)C(=O)N2CC[NH2+]CC2)CCS1
AddComponent,Please add a aldehyde to the molecule [NH3+]C1(C(=O)N2CCN(C(=O)c3ccc(C4Nc5ccccc5S4)cc3)CC2)CCC1.,[NH3+]C1(C(=O)N2CCN(C(=O)c3ccc(C4Nc5ccccc5S4)cc3)CC2CC=O)CCC1
SubComponent,Substitute a halo in the molecule CCC[NH2+]C(c1c(F)cc(Br)cc1F)C1CCOCC1 with a aldehyde.,CC(=O)c1cc(Br)cc(F)c1C([NH2+]CCC)C1CCOCC1
DelComponent,Remove a amide from the molecule CCN(Cc1cccc2c1OCCO2)C(=O)C(C)NS(=O)(=O)c1cccs1.,CCN(C(C)c1cccc2c1OCCO2)S(=O)(=O)c1cccs1
LogP,Please modify the molecule CC=C(CCCC)OCC(O)C(S)C(O)CO to decrease its LogP value.,CC=C(CCCC)OCC(O)C(C(=O)[OH])C(O)CO
MR,Optimize the molecule CCC(CCO)[NH2+]CC(C)CO to have a lower MR value.,CCC(CC)[NH2+]CC(C)CO
QED,Please optimize the molecule COc1ccc(CC[NH2+]CC(O)CO)cc1 to have a higher QED value.,COc1ccc(CC[NH2+]CC(C#N)CO)cc1
AtomNum,"The molecule has 9 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",Cc1onc2c(NC(=O)[O-])c(F)ccc12
BondNum,"There is a molecule composed of 19 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",O=C(NC1CCCCCCC1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 halo group.",CCOCC(C)(C)CNC(=O)N1CCCC1Cc1cccc(F)c1
AddComponent,Add a amine to the molecule O=C(Nc1cccc(Cl)c1)Nc1nn(Cc2ccccc2Cl)cc1Br.,Nc1ccc(Cl)c(Cn2cc(Br)c(NC(=O)Nc3cccc(Cl)c3)n2)c1
SubComponent,Please substitute a halo in the molecule CC(=O)N1CCC(C(=O)N(C)CC(CC[NH+]2CCC(C(=O)N(C)C)([NH+]3CCCCC3)CC2)c2ccc(Cl)c(Cl)c2)CC1 with a nitro.,CC(=O)N1CCC(C(=O)N(C)CC(CC[NH+]2CCC(C(=O)N(C)C)([NH+]3CCCCC3)CC2)c2ccc(NO)c(Cl)c2)CC1
DelComponent,Please remove a COc1cccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)c1O from the molecule amine.,COc1cccc(C[NH+]2CCC(S(C)(=O)=O)CC2)c1O
LogP,Please modify the molecule Oc1ccc(O)c2c(OC3OCC(O)C(O)C3O)cccc12 to increase its LogP value.,Oc1ccc(I)c2cccc(OC3OCC(O)C(O)C3O)c12
MR,Modify the molecule CCc1cccc(C)c1Nc1nncc(Nc2ccccc2OC)n1 to decrease its MR value.,CCc1cccc(C)c1Nc1nncc(-c2ccccc2OC)n1
QED,Modify the molecule CNc1cc(F)ccc1NC(C)C to have a lower QED value.,CNc1ccccc1NC(C)C
AtomNum,"The molecule contains 5 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",NS(=O)(=O)c1ccc(C[NH3+])s1
BondNum,"The molecule consists of 14 single bonds, 3 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",COc1ccc(CC(=O)NN=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1
FunctionalGroup,The molecule is composed of and 2 amine groups.,CCC(C)C(NN)c1cncc(OC)c1
AddComponent,Please add a benzene ring to the molecule CCCCCCCCCCCCCCCCCCC1COC(COCCCCCCCC[n+]2ccsc2)C1.,CCCCCCCCCCC(CCCCCCCC1COC(COCCCCCCCC[n+]2ccsc2)C1)c1ccccc1
SubComponent,Substitute a nitrile in the molecule COc1cccc(-c2nc(C(N)=O)c(Nc3ccc(N4CCC([NH+]5CCN(C)CC5)CC4)cc3)nc2NC2CCN(C(=O)OC(C)(C)C)C2)c1C#N with a carboxyl.,COc1cccc(-c2nc(C(N)=O)c(Nc3ccc(N4CCC([NH+]5CCN(C)CC5)CC4)cc3)nc2NC2CCN(C(=O)OC(C)(C)C)C2)c1C(=O)[OH]
DelComponent,Modify the molecule CC(C)c1ccc2c(c1)c(Sc1ccccc1)c(C(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 by removing a benzene ring.,CC(C)c1ccc2c(c1)c(Sc1ccccc1)c(C(C)C(=O)[O-])n2CCl
LogP,Please optimize the molecule Cc1cc(-c2nc(C)n(C)c(=O)c2-c2ccc(F)cc2)ccn1 to have a lower LogP value.,Cc1cc(-c2nc(C)n(C)c(=O)c2F)ccn1
MR,Modify the molecule C[NH+]1CCc2[nH]c(C3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc(=O)c2C1 to have a higher MR value.,C[NH+]1CCc2[nH]c(C3CCCN(C(=O)Cc4ccccc4)C3)nc(=O)c2C1
QED,Optimize the molecule O=C([O-])CC1=[NH+]C(=S)N=N1 to have a higher QED value.,O=C([O-])CC1N=NC1=S
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 fluorine atoms.",C=CC1[NH2+]CCc2c(OC(F)F)cccc21
BondNum,"The molecule is composed of 6 single bonds, 4 rotatable bonds, and 17 aromatic bonds.",CCN(c1cccc2ccccc12)N(C)c1ccccc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, and 1 amine group.",NNC(=O)CC(c1ccccc1)c1ccccc1
AddComponent,Modify the molecule COc1ccc2c(c1)c(C1C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N1c1cc(F)ccc1F)cn2C by adding a hydroxyl.,COc1ccc2c(c1)c(C1C(c3ccc(OCO)c(OC)c3)=C(O)C(=O)N1c1cc(F)ccc1F)cn2C
SubComponent,Please substitute a nitrile in the molecule CC(C)N(C(=O)COc1ccccc1C#N)C(C)C with a nitro.,CC(C)N(C(=O)COc1ccccc1NO)C(C)C
DelComponent,Please remove a benzene ring from the molecule C=CC(C[Sn](CCCC)(CCCC)CCCC)C(O)c1ccccc1.,C=CC(CO)C[Sn](CCCC)(CCCC)CCCC
LogP,Modify the molecule ICC1CO[Si]2(c3ccccc3)CCCC12 to decrease its LogP value.,ICC1CO[Si]2CCCC12
MR,Modify the molecule CNC(=O)N1CCC(NC(=O)CCOC)C1 to decrease its MR value.,CNC(=O)N1CCC(COC)C1
QED,Please modify the molecule COCC(=O)NC1C[NH+](Cc2cccc(OCCO)c2)CC1O to increase its QED value.,COC1C[NH+](Cc2cccc(OCCO)c2)CC1O
AtomNum,"The molecule consists of 15 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCCOCCCNS(=O)(=O)c1ccccc1NCC
BondNum,"Please generate a molecule composed of 27 single bonds, 10 rotatable bonds, and 17 aromatic bonds.",COc1ccc2c(c1)CCC1C2CCC2(C)C1CCC2(O)c1cn(CCCCCOCc2ccccc2)nn1
FunctionalGroup,"There is a molecule consisting of 2 amine groups, and 3 halo groups.",CN(C)Nc1nc(C(F)(F)F)ccc1C(N)=S
AddComponent,Please add a hydroxyl to the molecule C=C(c1ccccc1)c1ccc(CC)cc1Nc1ccc(C)cc1.,C=C(c1ccccc1)c1ccc(CC)cc1Nc1ccc(C)c(O)c1
SubComponent,Please substitute a COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1F in the molecule halo with a hydroxyl.,COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1O
DelComponent,Remove a amide from the molecule Cc1noc(C[NH+]2CCN(C(=O)C3CCSCC3)CC2)n1.,Cc1noc(C[NH+]2CCC3CSCCC3C2)n1
LogP,Please optimize the molecule CCc1cnn(C2CCC(O)CC2)c1 to have a lower LogP value.,NCCc1cnn(C2CCC(O)CC2)c1
MR,Optimize the molecule Nc1ncn(CC2CCCC2(F)F)n1 to have a lower MR value.,Nc1ncn(CC2CCCC2F)n1
QED,Please optimize the molecule CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c(F)c1 to have a higher QED value.,CC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c(F)c1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc(C[NH+]2CCOCC2)cc1NC(C)c1cccc(CO)c1
BondNum,"Please generate a molecule consisting 13 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",C[NH2+]CC1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, and 1 amine group.",COc1ccc(C(=O)Nc2cc(N3CCOCC3)c(C)cc2N)cc1
AddComponent,Modify the molecule COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4cccc(Br)c4)c(OC)c3)C2=O)cc1 by adding a benzene ring.,COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4cccc(Br)c4)c(OC)c3-c3ccccc3)C2=O)cc1
SubComponent,Modify the molecule hydroxyl by substituting a CCCCCCOc1ccc(N2C(=O)C(O)=C(c3cccs3)C2c2ccc(OCCCCC)c(OC)c2)cc1 with a nitro.,CCCCCCOc1ccc(N2C(=O)C(NO)=C(c3cccs3)C2c2ccc(OCCCCC)c(OC)c2)cc1
DelComponent,Modify the molecule benzene ring by removing a Nc1cncc(Nc2cccc(Oc3ccccc3)c2)n1.,Nc1cncc(NOc2ccccc2)n1
LogP,Please modify the molecule N#CC(CN)c1c(Cl)nc2ncccn12 to decrease its LogP value.,NCCc1c(Cl)nc2ncccn12
MR,Modify the molecule CSCC[NH2+]CC(=O)NC1CCCCCC1 to have a lower MR value.,CSCC[NH2+]C1CCCCCC1
QED,Modify the molecule CCc1nn2c(C)c(CC(=O)[O-])c(C)nc2c1S(=O)(=O)c1cccc(F)c1 to decrease its QED value.,CCc1nn2c(C)c(CC(=O)[O-])c(C)nc2c1S(=O)(=O)c1cccc(S)c1
AtomNum,"There is a molecule consisting of 30 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCCCc1ccc(N2CC(C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc3)CC2=O)cc1
BondNum,"The molecule has 7 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CCCOc1cccn(CCC)c1=O
FunctionalGroup,The molecule consists of and 1 sulfide group.,O=c1cc([O-])n(-c2nc3ccccc3s2)[nH]1
AddComponent,Please add a benzene ring to the molecule CC1CN(S(=O)(=O)CCOCC2CCCC2)CCS1(=O)=O.,O=S1(=O)CCN(S(=O)(=O)CCOCC2CCCC2)CC1Cc1ccccc1
SubComponent,Substitute a halo in the molecule CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1N1CCN(c2ccc(F)cc2)CC1 with a nitrile.,CCN(CC)C(=O)c1c[nH+]c2ccc(C#N)cc2c1N1CCN(c2ccc(F)cc2)CC1
DelComponent,Modify the molecule CC(C)(c1cccc(-c2ccc(F)nc2)n1)c1ccn(-c2ccccc2)n1 by removing a halo.,CC(C)(c1cccc(-c2cccnc2)n1)c1ccn(-c2ccccc2)n1
LogP,Optimize the molecule CSCCC(C)N(C)c1nc2c(s1)CCCC2O to have a lower LogP value.,CSCCC(C)N(C)c1nc2c(s1)CCCC2NO
MR,Modify the molecule Cc1ccc(C#Cc2ccc(S(=O)(=O)N3CCCC3C(=O)NO)cc2)cc1 to have a lower MR value.,CC#Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NO)cc1
QED,Please modify the molecule O=C(NCC(F)F)c1cn[nH]c1 to decrease its QED value.,N#CC(F)CNC(=O)c1cn[nH]c1
AtomNum,"The molecule is composed of 12 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COCCNC(=O)C(C)[NH2+]CCOC(C)(C)C
BondNum,"Please generate a molecule consisting 15 single bonds, 1 double bond, and 9 rotatable bonds.",COC(=O)C(C)(C)C[NH2+]CCOCCC(C)C
FunctionalGroup,"The molecule has 2 benzene ring groups, and 6 halo groups.",O=CNC(NC=O)[NH+]1CCCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1
AddComponent,Modify the molecule CCc1ccc(C2[NH2+]C(CC)C(=O)N2CC)cc1 by adding a carboxyl.,CCc1ccc(C2[NH2+]C(CC)C(=O)N2C(C)C(=O)O)cc1
SubComponent,Substitute a nitro in the molecule C[NH+](CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCc2ccccc21 with a thiol.,C[NH+](CC(=O)Nc1cccc([SH]=O)c1)C1CCc2ccccc21
DelComponent,Please remove a O=C(Nc1cccc(CS(=O)C2CCOCC2)c1)C1CC1c1ccc(F)c(F)c1 from the molecule benzene ring.,O=C(NCS(=O)C1CCOCC1)C1CC1c1ccc(F)c(F)c1
LogP,Optimize the molecule Cc1ccc(SCCCC(=O)N(Cc2ccccc2)c2nc3c(C(F)(F)F)cccc3s2)cc1 to have a lower LogP value.,Cc1ccc(SCCCC(=O)N(Cc2ccccc2)c2nc3c(C(F)(F)S)cccc3s2)cc1
MR,Modify the molecule COc1cc(CC(=O)Nc2cccc3c(=O)n(CC4CCOCC4)ccc23)cc(OC)c1 to decrease its MR value.,COc1cc(OC)cc(-c2cccc3c(=O)n(CC4CCOCC4)ccc23)c1
QED,Please modify the molecule C[NH+](C)C=C1CC(c2cccc(C(C)(C)C)c2)CCC1=O to decrease its QED value.,C[NH+](C)C=C1CC(C(C)(C)C)CCC1=O
AtomNum,"There is a molecule with 37 carbon atoms, 12 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)COc1cc(C(C)C)ccc1CCNS(=O)(=O)c1cc(C=NC(=O)OC([NH3+])OC(=O)C(C)(C)OC(C)=O)ccc1OCc1ccccc1
BondNum,"There is a molecule consisting of 10 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CSc1ccccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 amine group.",CCC1CNC(=O)c2cc(-c3ccnc(N)n3)n(CC)c21
AddComponent,Please add a benzene ring to the molecule COc1ccc(Cc2nc3scc(-c4ccc5ccccc5c4)c3c(=O)[nH]2)cc1OC.,COc1ccc(Cc2nc3scc(-c4ccc5ccccc5c4)c3c(=O)[nH]2)cc1OCc1ccccc1
SubComponent,Modify the molecule halo by substituting a CC1CC[NH2+]C(C(=O)Nc2c(F)cc(Br)cc2F)C1 with a carboxyl.,CC1CC[NH2+]C(C(=O)Nc2c(F)cc(Br)cc2C(=O)[OH])C1
DelComponent,Remove a CC(C)(C)OC(=O)N1CC2CC1CN2C(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C from the molecule benzene ring.,COC(=O)NC(C(=O)N1CC2CC1CN2C(=O)OC(C)(C)C)C(C)(C)C
LogP,Please modify the molecule Cc1ccc2c(CC(=O)N3CC(CO)OCC3C)c[nH]c2c1 to increase its LogP value.,Cc1ccc2c(CC(=O)N3CC(CS)OCC3C)c[nH]c2c1
MR,Please modify the molecule COC(=O)CC(=O)OCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O to increase its MR value.,COC(=O)CC(=O)OCC(OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)c1ccccc1
QED,Modify the molecule Cn1c(N)nc(Br)c1-c1cc(F)ccc1F to have a lower QED value.,Cn1cnc(Br)c1-c1cc(F)ccc1F
AtomNum,"There is a molecule composed of 19 carbon atoms, 4 nitrogen atoms, and 1 fluorine atom.",C=C([NH3+])C(=CC(F)=C(C)[NH3+])C(=C)Nc1cccc2c1C=NC2CC
BondNum,"The molecule has 8 single bonds, 3 rotatable bonds, and 15 aromatic bonds.",c1cc(C[NH2+]C2CCc3ncnn3C2)c2[nH]ccc2c1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 hydroxyl group, and 2 halo groups.",CCOc1ccc(-c2cc(O)cc(F)c2)c(Cl)c1
AddComponent,Add a hydroxyl to the molecule CC[NH2+]CC(C)Sc1nc2ccc(C)cc2[nH]1.,CC[NH2+]C(O)C(C)Sc1nc2ccc(C)cc2[nH]1
SubComponent,Substitute a halo in the molecule CC1CCC(N(C)C(=O)CNC(=O)NCc2ccc(F)cc2)CC1 with a nitro.,CC1CCC(N(C)C(=O)CNC(=O)NCc2ccc(NO)cc2)CC1
DelComponent,Modify the molecule amide by removing a CCOc1ccccc1N(CCCC(=O)Nc1ccc(OC)cc1)S(C)(=O)=O.,CCOc1ccccc1N(CCc1ccc(OC)cc1)S(C)(=O)=O
LogP,Optimize the molecule CCC(C(=O)NC(C)c1ccccc1)N1C(=O)CC(c2cccc(F)c2)NC1=O to have a lower LogP value.,CCC(C(=O)NC(C)c1ccccc1C(=O)O)N1C(=O)CC(c2cccc(F)c2)NC1=O
MR,Optimize the molecule CC(CO)CCCNC(=O)C1C2CCCCC21 to have a higher MR value.,CC(CCCNC(=O)C1C2CCCCC21)CC(=O)[OH]
QED,Please modify the molecule CN(CCCNC(=O)NC(c1ccc(F)cc1)C1CCCO1)c1ccccc1 to decrease its QED value.,CN(CCCNC(=O)NC(N)(c1ccc(F)cc1)C1CCCO1)c1ccccc1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",O=[N+]([O-])c1ccc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)cc1
BondNum,"The molecule has 54 single bonds, 8 double bonds, and 14 rotatable bonds.",C=CCN(N)C(=O)C(=O)C(CC1CCC1)NC(=O)C1C2CCC3(CC3)C2CN1C(=O)C(NC(=O)NC(CN1C(=O)CC(C)(C)CC1=O)C(C)(C)C)C1CCCCC1
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, 1 amine group, and 2 halo groups.",Cc1cn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3C[NH2+]C3)n2)nc1CO
AddComponent,Please add a carboxyl to the molecule CCC[NH2+]C(C)c1csc(NC(=O)C2OCCC2C)n1.,CCC[NH2+]C(C)c1csc(NC(=O)C2OCCC2(C)C(=O)O)n1
SubComponent,Substitute a halo in the molecule Cc1ccccc1C(=O)C1C(c2sccc2C)C(C(=O)N2CC[NH2+]CC2)N(C(=O)c2ccccc2)C1c1c(C)nn(C)c1Cl with a hydroxyl.,Cc1ccccc1C(=O)C1C(c2sccc2C)C(C(=O)N2CC[NH2+]CC2)N(C(=O)c2ccccc2)C1c1c(C)nn(C)c1O
DelComponent,Please remove a halo from the molecule C=C1C(Cl)=CC(C)=C(c2nn(C)c(C(C)=O)c2Cl)N1C.,C=C1C(Cl)=CC(C)=C(c2cc(C(C)=O)n(C)n2)N1C
LogP,Optimize the molecule CC(CC[NH+](C)C)NC(=O)C1CC1 to have a higher LogP value.,CCC(C)CC[NH+](C)C
MR,Please modify the molecule CCN(CC(C)(C)O)c1ccc(S(=O)(=O)NC2CC2)cc1 to increase its MR value.,CCN(CC(C)(C)S)c1ccc(S(=O)(=O)NC2CC2)cc1
QED,Optimize the molecule O=C(N1CCC(F)(F)C1)N1CCCC1C1CC[NH2+]CC1 to have a lower QED value.,O=C(N1CCC(F)(S)C1)N1CCCC1C1CC[NH2+]CC1
AtomNum,"The molecule consists of 22 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",CC(NC(=O)C[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)c1ccccc1
BondNum,"There is a molecule composed of 8 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",CCC(NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(Br)cc1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 ester group, 1 amide group, and 3 halo groups.",COC(=O)c1cc(Cl)c(OCC2CCC(=O)N2c2ccc(Cl)cc2)cc1F
AddComponent,Modify the molecule COCCNC(=O)Cc1ccc(C(C)(C)C)cc1 by adding a benzene ring.,COCCNC(=O)Cc1ccc(C(C)(C)Cc2ccccc2)cc1
SubComponent,Modify the molecule halo by substituting a CC(C)C(C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 with a aldehyde.,CC(=O)c1ccc(C(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1
DelComponent,Please remove a amide from the molecule CC(COC(=O)NC(CCCCNC(N)=O)C(=O)N1CCCC1)c1ccccc1N=O.,CC(COC(=O)NC1CCC1CCCCNC(N)=O)c1ccccc1N=O
LogP,Please optimize the molecule Cc1ccc(N)cc1C(=O)NC1(C)CCCC1 to have a higher LogP value.,Cc1ccccc1C(=O)NC1(C)CCCC1
MR,Optimize the molecule CCCC(CNC(=O)c1ccc(SC)o1)C(=O)[O-] to have a higher MR value.,CSc1ccc(C(=O)NCC(CC(C)O)C(=O)[O-])o1
QED,Modify the molecule Cc1cc(C=C(C#N)C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c(C)n1CCC(C)C to increase its QED value.,Cc1cc(C=C(C#N)C(=O)OCC(=O)NCc2ccccc2)c(C)n1CCC(C)C
AtomNum,"The molecule consists of 14 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CN(C(=O)Nc1ccc(C(=O)[O-])cc1Cl)C1CCCC1
BondNum,"The molecule contains 9 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CNc1ccc([N+](=O)[O-])c(Oc2cccc(C(C)C)c2)n1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 2 amide groups, 2 halo groups, 2 thioether groups, and 1 sulfide group.",O=C(c1ccccc1Cl)N1CCC2(CC1)SCCN2C(=O)c1cccc(F)c1
AddComponent,Add a benzene ring to the molecule Cc1nc(N(Cc2ccco2)CC2CCCO2)c([N+](=O)[O-])[nH]1.,Cc1nc(N(Cc2ccco2)CC2OCCC2c2ccccc2)c([N+](=O)[O-])[nH]1
SubComponent,Please substitute a CC(C)(O)c1ccc2c(c1)N(c1ccnc(N)n1)CC2 in the molecule hydroxyl with a carboxyl.,CC(C)(C(=O)[OH])c1ccc2c(c1)N(c1ccnc(N)n1)CC2
DelComponent,Please remove a Cc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)[O-])c3)C2C(=O)c2ccccc2F)cc1 from the molecule hydroxyl.,Cc1ccc(C2=CC(=O)N(c3cccc(C(=O)[O-])c3)C2C(=O)c2ccccc2F)cc1
LogP,Modify the molecule C=C(C)CCc1c2c(O)c3c(O)c(CCC(=C)C)c(OCC)cc3oc-2cc(=O)c1OC to have a lower LogP value.,C=C(C)CCc1c2c(O)c3c(O)c(CCC(=C)C)c(OCC)cc3oc-2c(C(=O)O)c(=O)c1OC
MR,Please optimize the molecule CC(=O)c1cccc(NC(=O)C(C)Sc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1 to have a higher MR value.,CC(=O)c1cccc(NC(=O)C(C)Sc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)c1
QED,Please modify the molecule Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C2=NS(=O)(=O)c3ccccc32)cc1 to increase its QED value.,Cc1ccc(NS(C)(=O)=O)c(C2=NS(=O)(=O)c3ccccc32)c1
AtomNum,"There is a molecule consisting of 26 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",CC(C)(C)S(=O)(=O)C1=C(C[NH+](CCCCCCO)CC2CCCC2S(=O)(=O)C(C)(C)C)CC=C1
BondNum,"Please generate a molecule consisting 12 single bonds, 4 rotatable bonds, and 16 aromatic bonds.",Cc1cc(-c2cn[nH]c2)cc(C2CC[NH+](Cc3ccnn3C)CC2)n1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 sulfone group.",Cc1ccc(S(=O)(=O)[O-])c(C2CC[NH+](C)C2)c1
AddComponent,Please add a hydroxyl to the molecule CCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(C)C(=O)c1ccc(Cl)c(Cl)c1.,CN(C(=O)c1ccc(Cl)c(Cl)c1)C(CCO)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1
SubComponent,Please substitute a halo in the molecule Cc1cc(Nc2ccc(Br)cc2)n2ncc(-c3ccc(Cl)cc3)c2n1 with a hydroxyl.,Cc1cc(Nc2ccc(O)cc2)n2ncc(-c3ccc(Cl)cc3)c2n1
DelComponent,Modify the molecule amide by removing a CCC1(C(=O)NCC(N2CC[NH2+]CC2)C(F)(F)F)CCC1.,CCC1CC1CC(N1CC[NH2+]CC1)C(F)(F)F
LogP,Please modify the molecule CCCCCC(Cc1ccn(C)n1)[NH2+]CCC to decrease its LogP value.,CCCCC(O)C(Cc1ccn(C)n1)[NH2+]CCC
MR,Optimize the molecule Cc1cccc(CN2C(=O)C3(SCCN3C(=O)Nc3cccc(F)c3)c3cc(C)ccc32)c1 to have a higher MR value.,Cc1cccc(C(c2ccccc2)N2C(=O)C3(SCCN3C(=O)Nc3cccc(F)c3)c3cc(C)ccc32)c1
QED,Modify the molecule CCn1cc(N)c(C(=O)NC2(C)CCCCC2)n1 to increase its QED value.,CCn1ccc(C(=O)NC2(C)CCCCC2)n1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 1 nitrogen atom, 1 fluorine atom, and 1 bromine atom.",Fc1cc(Br)ccc1C[NH2+]C1CCCc2ccccc21
BondNum,"The molecule contains 16 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",COc1ccc(C(F)(F)C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)cc1
FunctionalGroup,"The molecule is composed of 4 benzene ring groups, 1 amine group, and 1 halo group.",Clc1ccccc1Nc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
AddComponent,Modify the molecule C#CC(OC1CCCCO1)C(C)(C)CCOCCOCCC(C)(C)CO[Si](C)(C)C(C)(C)C by adding a hydroxyl.,C#CC(OC1CCCCO1)C(C)(C)CCOCCOCCC(C)(CO)CO[Si](C)(C)C(C)(C)C
SubComponent,Please substitute a CCn1ccc(CN(C)C(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)n1 in the molecule halo with a nitrile.,CCn1ccc(CN(C)C(=O)c2cc3nc(C)cc(C(F)(F)C#N)n3n2)n1
DelComponent,Modify the molecule amine by removing a S=C(Nc1nc(-c2ccccc2)nc2ccccc12)NC1CCCCC1.,S=C(Nc1nc(-c2ccccc2)nc2ccccc12)C1CCCCC1
LogP,Please optimize the molecule C[NH2+]C1(C)CCN(C(=O)c2ccc(C)cc2O)CC1 to have a higher LogP value.,C[NH2+]C1(C)CCN(C(=O)c2ccc(C)cc2S)CC1
MR,Please optimize the molecule FC(F)(F)c1nnc(C[NH+]2CCN(CCn3cnc4ccccc43)CC2)o1 to have a lower MR value.,FC(F)c1nnc(C[NH+]2CCN(CCn3cnc4ccccc43)CC2)o1
QED,Please optimize the molecule CC(OC(N)=O)c1cccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)n1 to have a lower QED value.,CC(OC(N)=O)c1cccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3S)cc2C(N)=O)n1
AtomNum,"The molecule contains 20 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",COc1ccccc1-c1cc(C(=O)NC2(Cn3nccn3)CCCCC2)[nH]n1
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",[NH3+]CCc1nc(C(=O)NCc2ccc(F)c(Cl)c2)cs1
FunctionalGroup,"Please generate a molecule consisting 2 sulfide groups, and 2 disulfide groups.",S=c1sc2sssc=2c1=S
AddComponent,Please add a amine to the molecule O=C1C(Cc2ccccc2)CCC2C=CN(c3ccccc3)N1C2.,Nc1ccccc1CC1CCC2C=CN(c3ccccc3)N(C2)C1=O
SubComponent,Modify the molecule halo by substituting a COCC([NH2+]C(C)c1ccc(Cl)c(F)c1)C(C)C with a hydroxyl.,COCC([NH2+]C(C)c1ccc(O)c(F)c1)C(C)C
DelComponent,Please remove a CNc1snc(C)c1C(=O)NOCc1ccccc1 from the molecule benzene ring.,CNc1snc(C)c1C(=O)NOC
LogP,Please modify the molecule CCC12C(CC(Cc3ccc(F)c(C)c3)C1(C#N)C(=O)C[NH3+])C2C(=O)[O-] to decrease its LogP value.,CCC12C(CC(Cc3ccc(NO)c(C)c3)C1(C#N)C(=O)C[NH3+])C2C(=O)[O-]
MR,Modify the molecule COc1ccc(Cl)cc1-n1c(SCc2cccc(C#N)c2)nnc1-c1cc2occc2n1C to decrease its MR value.,COc1ccc(O)cc1-n1c(SCc2cccc(C#N)c2)nnc1-c1cc2occc2n1C
QED,Modify the molecule CCCN(Cc1[nH]c(-c2ccc3cc(-c4ccc(-c5c[nH+]c(CN(CCC)C(=O)C(c6ccccc6)[NH+](CC)C6CC6)[nH]5)cc4)ccc3c2)c[nH+]1)C(=O)CNC(=O)OC to have a lower QED value.,CCCN(Cc1[nH]c(-c2cc(C(=O)O)c3cc(-c4ccc(-c5c[nH+]c(CN(CCC)C(=O)C(c6ccccc6)[NH+](CC)C6CC6)[nH]5)cc4)ccc3c2)c[nH+]1)C(=O)CNC(=O)OC
AtomNum,"The molecule contains 23 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CN(C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C1CCS(=O)(=O)C1
BondNum,"Please generate a molecule composed of 5 single bonds, 3 rotatable bonds, and 10 aromatic bonds.",CC[NH2+]Cc1cc2c(O)cccc2o1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 1 halo group.",CCC[SiH]1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1
AddComponent,Modify the molecule CC([NH3+])(C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 by adding a hydroxyl.,CC([NH3+])(C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2O)C1)c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule CNCC[NH2+]CCNC(=O)CC1CC(=O)Oc2cc(O)ccc21 with a nitrile.,CNCC[NH2+]CCNC(=O)CC1CC(=O)Oc2cc(C#N)ccc21
DelComponent,Remove a halo from the molecule O=c1[nH]c2cc(Cl)ccc2n1CC1CCC[NH2+]1.,O=c1[nH]c2ccccc2n1CC1CCC[NH2+]1
LogP,Modify the molecule CP(=O)(Oc1ccccc1)N1CCNC1=O to decrease its LogP value.,CP(=O)(O)N1CCNC1=O
MR,Modify the molecule CCCCOC1COC(C2=CCC(OC(F)(F)C(F)(F)C(F)(F)CF)C=C2)OC1 to increase its MR value.,CCCCOC1COC(C2=CCC(OC(F)(C#N)C(F)(F)C(F)(F)CF)C=C2)OC1
QED,Optimize the molecule C[NH+]1CCc2ccc(NC(=O)C([NH3+])CNC(=O)c3ccccc3)cc2CC1 to have a lower QED value.,C[NH+]1CCc2ccc(NC(=O)C([NH3+])CNC(=O)c3cccc(O)c3)cc2CC1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 4 fluorine atoms.",O=C(NC(c1ccc(F)cc1)C(F)(F)F)c1cnn(Cc2ccccc2)c1
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, and 2 rotatable bonds.",COC(=O)C1C[NH+]=C(C2CCOCC2)N1
FunctionalGroup,The molecule contains and 1 amide group.,CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc2c(c1)Cc1cccc(c1)C[NH+](CC1CC1)CCCCCO2
AddComponent,Add a benzene ring to the molecule C=CCCCCC(=O)N(Cc1ccccc1F)C1C=C(C(=O)NCCO)C2c3ccccc3OC2C1O.,C=CCCCCC(=O)N(Cc1ccccc1F)C1C=C(C(=O)NCCO)C2c3ccccc3OC2(c2ccccc2)C1O
SubComponent,Modify the molecule halo by substituting a CCOc1cc(C=NNC(=O)COc2ccccc2C(C)C)cc(Br)c1O with a nitrile.,CCOc1cc(C=NNC(=O)COc2ccccc2C(C)C)cc(C#N)c1O
DelComponent,Please remove a CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c(C)[nH]1 from the molecule halo.,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)F)c3)cc2)c(C)[nH]1
LogP,Please modify the molecule c1ccc(C2CCCCC2[NH2+]CC2CCC2)cc1 to decrease its LogP value.,O=C(O)C1(C[NH2+]C2CCCCC2c2ccccc2)CCC1
MR,Modify the molecule COCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])cn1 to have a higher MR value.,COCCN(CC(=O)[O-])c1ccc([SH]=O)cn1
QED,Please modify the molecule Cc1nc(N)sc1-c1nc(-c2ccccn2)no1 to decrease its QED value.,Cc1ncsc1-c1nc(-c2ccccn2)no1
AtomNum,"The molecule has 10 carbon atoms, 2 oxygen atoms, and 2 fluorine atoms.",CC(=CC(=O)[O-])c1ccc(F)cc1F
BondNum,"There is a molecule composed of 22 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+](CC3CC3)C3CC3)CC2)cc1C
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 ester group, and 1 nitro group.",CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)cc1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCCc6ccccc65)nc34)n2)cc1.,Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5c6ccccc6CCC5O)nc34)n2)cc1
SubComponent,Substitute a halo in the molecule CNC(=O)C1OC(n2cnc3c(NCc4cc(Cl)ccc4OCC(=O)N4CCCC4)ncnc32)C(O)C1N=[N+]=[N-] with a thiol.,CNC(=O)C1OC(n2cnc3c(NCc4cc(S)ccc4OCC(=O)N4CCCC4)ncnc32)C(O)C1N=[N+]=[N-]
DelComponent,Modify the molecule benzene ring by removing a CC1(C)C(c2ccccc2)=Cc2ccc3nc(-n4c5ccc(-c6ccc7c(c6)Oc6ccccc6O7)cc5c5c6ccccc6ccc54)nc(-c4ccccc4)c3c21.,CC1(C)C(c2ccccc2)=Cc2ccc3nc(-n4c5ccc(-c6ccc7c(c6)Oc6ccccc6O7)cc5c5c6ccccc6ccc54)ncc3c21
LogP,Please modify the molecule CCc1ccc(S(=O)(=O)NC2CCCN(c3ccc(-c4ccccc4)c(S(C)(=O)=O)c3F)C2=O)cc1 to decrease its LogP value.,CCc1ccc(S(=O)(=O)NC2CCCN(c3ccc(-c4ccccc4)c(S(C)(=O)=O)c3NO)C2=O)cc1
MR,Optimize the molecule CCc1nc(N2CCN(c3ccccn3)CC2)sc1C[NH3+] to have a higher MR value.,CCc1nc(N2CCN(c3cccc(N)n3)CC2)sc1C[NH3+]
QED,Please optimize the molecule CCCCC(=O)NN=C(C)CC(=O)Nc1cc(OC)ccc1OC to have a lower QED value.,CCCCC(=O)NN=C(C)CC(=O)Nc1c(OC)ccc(OC)c1C(=O)O
AtomNum,"Please generate a molecule with 13 carbon atoms, 1 oxygen atom, and 9 fluorine atoms.",CC1(C(F)(F)F)C2C=CC(C2)C1CC(O)(C(F)(F)F)C(F)(F)F
BondNum,"The molecule has 5 single bonds, 1 triple bond, 2 rotatable bonds, and 16 aromatic bonds.",Cc1cc(C#N)ccc1Cn1ccc2cc(Br)ccc21
FunctionalGroup,"The molecule has 1 ester group, 3 amide groups, and 1 sulfide group.",Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C)c1C
AddComponent,Modify the molecule Cn1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc2ccccc21 by adding a benzene ring.,Cn1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc2cccc(-c3ccccc3)c21
SubComponent,Substitute a halo in the molecule C[NH2+]C(CSCC(C)C)Cc1cc(F)cc(F)c1 with a nitrile.,C[NH2+]C(CSCC(C)C)Cc1cc(F)cc(C#N)c1
DelComponent,Please remove a CC(C)C(NC(=O)Cn1cc(C(=O)[O-])nn1)c1cccc(C(F)(F)F)c1 from the molecule halo.,CC(C)C(NC(=O)Cn1cc(C(=O)[O-])nn1)c1cccc(C(F)F)c1
LogP,Please modify the molecule Cc1nc(C[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)oc1C to decrease its LogP value.,Cc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)oc1C
MR,Modify the molecule Brc1cc(I)c2c(c1)C(I)CCN2 to decrease its MR value.,Sc1cc(I)c2c(c1)C(I)CCN2
QED,Modify the molecule CC(=O)C(c1ccc(S(C)(=O)=O)cc1)[NH+](C)C to have a lower QED value.,CC(=O)C(c1ccc(S(C)(=O)=O)c(C(=O)O)c1)[NH+](C)C
AtomNum,"The molecule has 19 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Cc1[nH]ncc1-c1cnc(CC2CCCN(C(=O)C(C)(C)C)C2)cn1
BondNum,"The molecule consists of 5 single bonds, 2 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",CS(=O)(=O)NC(c1ccsc1)c1cccs1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 1 halo group.",ClCc1ncc2c(c1OCc1ccccc1)COC2c1ccccc1
AddComponent,Please add a hydroxyl to the molecule CN(C(=O)OC(C)(C)C)c1cc(CSc2ncccc2C(=O)Nc2cccc(Cl)c2)ccn1.,CC(C)(C)OC(=O)N(CO)c1cc(CSc2ncccc2C(=O)Nc2cccc(Cl)c2)ccn1
SubComponent,Modify the molecule CCC(=CCOc1ccc(C(C)=O)c(F)c1)C(=O)OC by substituting a halo with a aldehyde.,CC(=O)c1cc(OCC=C(CC)C(=O)OC)ccc1C(C)=O
DelComponent,Please remove a COC(=O)c1cc2c(c(OC)c1)NCCC2 from the molecule amine.,COC(=O)c1cc2c(c(OC)c1)CCC2
LogP,Modify the molecule Cc1nc(C2(NC(=O)c3ccc(C(F)(F)F)nc3)CCCC2)no1 to decrease its LogP value.,Cc1nc(C2(NC(=O)c3ccc(C(F)(F)S)nc3)CCCC2)no1
MR,Optimize the molecule C=CCNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(=O)[O-])NC(=O)CNC(=O)C(CCC[NH+]=C(N)N)NC(=O)CNC(=O)C([NH3+])C(C)C to have a lower MR value.,C=CCNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(=O)[O-])NC(=O)CNC(=O)C(CCC[NH+]=CN)NC(=O)CNC(=O)C([NH3+])C(C)C
QED,Modify the molecule CC(C)(C)c1nc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)on2)no1 to decrease its QED value.,CC(C)(C)c1nc(CCNC(=O)c2cc(-c3ccc(O)cc3)on2)no1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(C)(C)S(=O)(=O)CCN1CCC(C#N)CC1
BondNum,"The molecule is composed of 21 single bonds, 3 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C)c(C)c3)C2c2cccc(OC(C)C)c2)cc1C(C)C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 nitro group, 1 halo group, and 1 sulfide group.",CCc1ccc(COc2ccc([N+](=O)[O-])cc2CBr)s1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(C)OC3(CCOC3)C2)cc1C.,Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(C)OC3(COC(O)C3)C2)cc1C
SubComponent,Modify the molecule halo by substituting a Cn1nc(-c2cn(-c3c(F)cccc3F)c(=O)c3c(N)n[nH]c23)cc1N1CCCC1C[NH+](C)C with a nitrile.,Cn1nc(-c2cn(-c3c(F)cccc3C#N)c(=O)c3c(N)n[nH]c23)cc1N1CCCC1C[NH+](C)C
DelComponent,Please remove a amide from the molecule CC(=O)Nc1ccc(NC(=O)c2ocnc2-c2ccccc2)cc1.,CC(=O)Nc1ccc(-c2(-c3ccccc3)nco-2)cc1
LogP,Optimize the molecule O=C(CCC1CCCO1)c1ccc(OC(F)F)cc1 to have a lower LogP value.,O=C(CCC1CCCO1)OC(F)F
MR,Optimize the molecule Cc1[nH]c2ccc(=O)c(=O)c=2oc1O to have a higher MR value.,Cc1[nH]c2ccc(=O)c(=O)c=2oc1C#N
QED,Please modify the molecule CCN(CCc1ccccc1)C(=O)c1ccoc1 to decrease its QED value.,CCN(CC)C(=O)c1ccoc1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 2 oxygen atoms, and 1 bromine atom.",BrCCc1ccc(COCCOCc2ccccc2)cc1
BondNum,"There is a molecule composed of 13 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC1=C(C)C(C)(C(O)c2ccc(C(=O)c3ccccc3)cc2)C(C)=C1C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 1 halo group.",Cc1ccc(NC(=O)C2CCC([NH3+])C2)c(Br)c1
AddComponent,Modify the molecule C1CC(SCC[NH2+]C(C2CC2)C2CC2)CC[NH2+]1 by adding a benzene ring.,c1ccc(C(CSC2CC[NH2+]CC2)[NH2+]C(C2CC2)C2CC2)cc1
SubComponent,Substitute a halo in the molecule O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1nc(Cn2cc(I)cn2)no1 with a hydroxyl.,O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1nc(Cn2cc(O)cn2)no1
DelComponent,Remove a halo from the molecule Cc1cc(C(=O)NCC=CC[NH3+])ccc1Cl.,Cc1cccc(C(=O)NCC=CC[NH3+])c1
LogP,Modify the molecule CC1CC(Cl)CN1S(=O)(=O)C1CC1 to decrease its LogP value.,CC1CC(NO)CN1S(=O)(=O)C1CC1
MR,Modify the molecule CC(C)(C)C1=CC=C(N(c2ccccc2)c2ccc(-c3cc4c5c(c3)c3cc(-c6ccc(N(c7ccccc7)c7ccc(C(C)(C)C)cc7)cc6)cc6c3n5-c3c(cccc3C4(C)C)C6(C)C)c3ccccc23)CC1 to decrease its MR value.,CC(C)(C)C1=CC=C(Nc2ccc(-c3cc4c5c(c3)c3cc(-c6ccc(N(c7ccccc7)c7ccc(C(C)(C)C)cc7)cc6)cc6c3n5-c3c(cccc3C4(C)C)C6(C)C)c3ccccc23)CC1
QED,Optimize the molecule [N-]=[N+]=Nc1ccc(C(=O)C([NH3+])CC2(N)[NH+]=C[NH+]=C3C2=NCN3C2CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)cc1 to have a higher QED value.,[N-]=[N+]=Nc1ccc(C(=O)C([NH3+])CC2(N)[NH+]=C[NH+]=C3C2=NCN3C2CCC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)cc1
AtomNum,"Please generate a molecule composed of 9 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 sulfur atom.",C=CC(C)Sc1cccc[n+]1[O-]
BondNum,"There is a molecule with 19 single bonds, 3 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",COC(=O)c1ccc2c(=O)n(CC[NH+]3CCOCC3)c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc2c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ester group, and 1 nitrile group.",[C-]#[N+]C1(C#N)C(CC)C(C(=O)OCC)=CCC1c1ccccc1
AddComponent,Modify the molecule Cn1cc(CNC(=O)COc2ccccc2)ccc1=O by adding a hydroxyl.,O=C(COc1ccccc1)NCc1ccc(=O)n(CO)c1
SubComponent,Please substitute a CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(C[NH+]3CCC(C(C)(C)O)CC3)nc2n1 in the molecule hydroxyl with a nitro.,CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(C[NH+]3CCC(C(C)(C)NO)CC3)nc2n1
DelComponent,Please remove a benzene ring from the molecule c1ccc(-c2cc3nc(-n4c5ccc(-c6cccc7c8c9ccccc9ccc8n(-c8nc(-c9ccccc9)c9c(ccc%10ccccc%109)n8)c67)cc5c5cc6ccccc6cc54)nc(-c4ccccc4)c3s2)cc1.,c1ccc(-c2nc(-n3c4ccc(-c5cccc6c7c8ccccc8ccc7n(-c7nc(-c8ccccc8)c8c(ccc9ccccc98)n7)c56)cc4c4cc5ccccc5cc43)nc3ccsc23)cc1
LogP,Modify the molecule COc1cccc(NC(=O)CN(C(C)=O)c2ccc(C(C)(C)C)cc2)c1 to increase its LogP value.,COc1ccc(S)c(NC(=O)CN(C(C)=O)c2ccc(C(C)(C)C)cc2)c1
MR,Please optimize the molecule CCCCCCCCSc1cccc(N)c1C to have a lower MR value.,CCCCCCCCSc1ccccc1C
QED,Please optimize the molecule C=CC=CC1=C(C)N(c2ccccc2)c2ccccc2C12c1ccccc1-c1nc(-c3ccccc3)nc(-c3cccnc3)c12 to have a higher QED value.,C=CC=CC1=C(C)N(c2ccccc2)c2ccccc2C12c1ccccc1-c1nc(-c3ccc(O)cc3)nc(-c3cccnc3)c12
AtomNum,"There is a molecule consisting of 20 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",C=CCCCCCN(C)C(NCC)=[NH+]Cc1ccccc1S(=O)(=O)N(C)C
BondNum,"The molecule has 7 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",COC(=O)c1ccc2nnc(COc3ccccc3O)n2c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ester group, and 3 halo groups.",CCOC(=O)C(=C(Cl)Cl)c1ccc(Cl)c(OC)c1
AddComponent,Please add a nitrile to the molecule CCc1nn(CC)c(CC(NN)C2CCC(CC)C2)c1Cl.,CCc1nn(CC)c(CC(C#N)(NN)C2CCC(CC)C2)c1Cl
SubComponent,Please substitute a halo in the molecule CC1CCC(=O)C(CC(F)F)C1 with a carboxyl.,CC1CCC(=O)C(CC(F)C(=O)[OH])C1
DelComponent,Please remove a halo from the molecule Cc1ccc(CCNC(=O)NC(F)(F)F)cc1.,Cc1ccc(CCNC(=O)NC(F)F)cc1
LogP,Modify the molecule COc1cc(-c2cc(C(=O)[O-])on2)cc(Cl)c1C1CC1 to have a lower LogP value.,COc1cc(-c2cc(C(=O)[O-])on2)ccc1C1CC1
MR,Please modify the molecule COC(=O)C1(Nc2ccc(C3=CC(=C4C(=O)Nc5ccc(F)cc54)OC3(C)C)cn2)CC1 to decrease its MR value.,COC(=O)C1(Nc2ccc(C3=CC4(OC3(C)C)c3ccc(F)cc34)cn2)CC1
QED,Please optimize the molecule O=C(Nc1cccc(Cn2cccn2)c1)C1CC(=O)N(Cc2cccc(F)c2)C1 to have a lower QED value.,O=C(Nc1cccc(Cn2cccn2)c1)C1CC(=O)N(Cc2cccc(F)c2)C1O
AtomNum,"The molecule has 12 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",OC1CN(c2ncc(C[NH2+]C3CC3)cn2)CC1O
BondNum,"The molecule has 15 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",OC12CCCCC1C[NH+](Cc1cccc(F)c1)CC2
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 5 hydroxyl groups, and 1 ester group.",O=C(OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O)c1ccc(O)cc1
AddComponent,Modify the molecule Cc1[nH]c(C(C)(C)[NH3+])nc(=O)c1C(C)C by adding a benzene ring.,Cc1[nH]c(C(C)(C)[NH3+])nc(=O)c1C(C)Cc1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(SC(F)(F)F)cc1 with a nitrile.,N#CC(F)(F)Sc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1
DelComponent,Please remove a benzene ring from the molecule CCC(CCc1ccc(C2CCCC2F)cc1)[NH+](CC)Cc1ccccc1.,CCC(CCC1CCCC1F)[NH+](CC)Cc1ccccc1
LogP,Please optimize the molecule COc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3)C2c2ccc(OCC(C)C)cc2)c(OC)c1 to have a higher LogP value.,COc1ccc(C2=CC(=O)N(c3cccc(C)c3)C2c2ccc(OCC(C)C)cc2)c(OC)c1
MR,Modify the molecule CN(CCCCCBr)C(=O)c1cncc(Br)c1 to have a higher MR value.,CN(CCCCCBr)C(=O)c1cc(Br)cnc1O
QED,Optimize the molecule COc1cc2c(Cl)c(N)cnc2cc1OCCC[NH+]1CCCCC1 to have a higher QED value.,COc1cc2cc(N)cnc2cc1OCCC[NH+]1CCCCC1
AtomNum,"Please generate a molecule with 44 carbon atoms, 8 oxygen atoms, 7 nitrogen atoms, 3 sulfur atoms, and 1 chlorine atom.",COc1cc(C)c(S(=O)(=O)NC(N)=NCCCC(NC(=O)C(Cc2ccc(Cl)cc2)NC(=O)C(Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)C(=O)c2nccs2)c(C)c1C
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CN(C)C(=O)c1ccc(CCC(=O)NC2CCCC2)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 halo group.",COC1(OC)CC(C(=O)[O-])(c2ccc(Br)cc2)C1
AddComponent,Modify the molecule N#Cc1ccc(Nc2nccc3n[nH]c(=O)n23)cc1 by adding a carboxyl.,N#Cc1ccc(Nc2nccc3n[nH]c(=O)n23)cc1C(=O)O
SubComponent,Modify the molecule halo by substituting a CS(=O)(=O)c1ccc(-c2nn(Cc3cccnc3)c(=S)cc2-c2ccc(Cl)cc2)cc1 with a carboxyl.,CS(=O)(=O)c1ccc(-c2nn(Cc3cccnc3)c(=S)cc2-c2ccc(C(=O)[OH])cc2)cc1
DelComponent,Modify the molecule C=C(C)C(=O)NCCCc1nc2ccccc2n1CCOc1ccccc1C(C)C by removing a benzene ring.,C=C(C)C(=O)NCCCc1nc2ccccc2n1CCOC(C)C
LogP,Modify the molecule COCC(O)C[NH2+]Cc1ccc(O)cc1 to have a higher LogP value.,COCC(C[NH2+]Cc1ccc(O)cc1)C(=O)[OH]
MR,Modify the molecule O=C(CCC(=O)N1CCCOC1)NC1CCCC1 to decrease its MR value.,O=C(CC1CCCO1)NC1CCCC1
QED,Please modify the molecule O=C(C1CCCCC1)N1CCC(Cn2nc(-c3ccco3)ccc2=O)CC1 to increase its QED value.,O=c1ccc(-c2ccco2)nn1CC1CCC(C2CCCC2)C1
AtomNum,"The molecule contains 28 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 1 bromine atom.",COc1cc(C2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc(Br)c1OCc1ccc(C)cc1
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, and 1 halo group.",OC1CC(C[NH2+]Cc2cc(Br)cc3c2OCC3)C1
AddComponent,Add a benzene ring to the molecule CON=C(C)c1c(C)cccc1-c1cccc(Cl)c1.,CON=C(C)c1c(Cc2ccccc2)cccc1-c1cccc(Cl)c1
SubComponent,Modify the molecule halo by substituting a Cc1ccccc1CC[NH2+]C=C(C#N)C(=O)NCc1ccc(Cl)cc1 with a thiol.,Cc1ccccc1CC[NH2+]C=C(C#N)C(=O)NCc1ccc(S)cc1
DelComponent,Please remove a amide from the molecule CSc1nc(NC(=O)CC(=O)[O-])nn1C.,CSc1nc(C(=O)[O-])nn1C
LogP,Please modify the molecule C=CCNC(=O)c1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 to decrease its LogP value.,C=CCNC(=O)NC(=O)C1([NH3+])CCOCC1
MR,Optimize the molecule O=C(NCCN1C(=O)SC(=Cc2ccc(F)cc2)C1=O)c1cccc(-n2cccc2)c1 to have a higher MR value.,O=C(NCCN1C(=O)SC(=Cc2ccc(F)cc2)C1=O)c1cccc(-n2cccc2C(=O)O)c1
QED,Modify the molecule O=C(CCc1cccnc1)NCC(O)COc1ccc(F)c(F)c1 to decrease its QED value.,O=C(CCc1cccnc1)NCCCOc1ccc(F)c(F)c1
AtomNum,"Please generate a molecule with 19 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CN(C)C(=O)CCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1
BondNum,"The molecule has 14 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 22 aromatic bonds.",CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)C2c2cn(C)c3ccccc23)cc1
FunctionalGroup,The molecule is composed of and 1 amide group.,CCC1CN(C(=O)CCC2CC[NH2+]CC2)CC(C)O1
AddComponent,Add a carboxyl to the molecule O=C([O-])c1cc(S(=O)(=O)N2CCSCC2)ccc1I.,O=C([O-])c1c(I)ccc(S(=O)(=O)N2CCSCC2)c1C(=O)O
SubComponent,Modify the molecule CCC(O)CC[NH2+]C(C)c1ccc(F)cc1Cl by substituting a hydroxyl with a nitrile.,CCC(C#N)CC[NH2+]C(C)c1ccc(F)cc1Cl
DelComponent,Please remove a hydroxyl from the molecule Cn1cc(CCC2=CC(O)CC(C)(C)C2)cn1.,Cn1cc(CCC2=CCCC(C)(C)C2)cn1
LogP,Modify the molecule Cn1nc(C(=O)N2CCN(c3ccc4c(c3)CC[NH+](C3CCCC3)CC4)CC2)c2ccccc21 to decrease its LogP value.,Cn1nc(C(=O)N2CCN(c3ccc4c(c3)CC[NH+](C3CCC(CC=O)C3)CC4)CC2)c2ccccc21
MR,Optimize the molecule CS(=O)(=O)Nc1ccc(C(=O)N(CCO)C2CC2)cc1 to have a higher MR value.,CS(=O)(=O)Nc1ccc(C(=O)N(CCS)C2CC2)cc1
QED,Modify the molecule CC1CCCCOC(CN(C)C(=O)Nc2ccc3c(c2)OCO3)C(C)CN(C(C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O1 to decrease its QED value.,CC1CCCCOC(CN(C)C(=O)Nc2ccc3c(c2)OCO3)C(C)CN(C(C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(C(=O)[OH])cc3)ccc2O1
AtomNum,"The molecule consists of 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",CC(C)SCC([NH3+])Cc1cc(Cl)cc2c1OCC2
BondNum,"The molecule is composed of 15 single bonds, 1 triple bond, 6 rotatable bonds, and 5 aromatic bonds.",CCCNC1(C#N)CCC(n2nc(CC)cc2CC)C1
FunctionalGroup,"There is a molecule consisting of 2 ketone groups, and 2 sulfide groups.",O=C1C=C(Sc2cccs2)C(=O)c2ccccc21
AddComponent,Modify the molecule COC(=O)N1CCCN(C(=O)c2ccccn2)CC1 by adding a hydroxyl.,COC(=O)N1CCCN(C(=O)c2ccccn2)C(O)C1
SubComponent,Modify the molecule halo by substituting a Cc1cc(C(=O)COCCCC(F)(F)F)c(C)n1C with a nitrile.,Cc1cc(C(=O)COCCCC(F)(F)C#N)c(C)n1C
DelComponent,Remove a amine from the molecule Cc1ccc2c(NCCNc3nc(Cl)nc(NCCNc4cc[nH+]c5cc(Cl)ccc45)n3)cc[nH+]c2c1.,Cc1ccc2c(CCNc3nc(Cl)nc(NCCNc4cc[nH+]c5cc(Cl)ccc45)n3)cc[nH+]c2c1
LogP,Modify the molecule C=C=CC(C)C(O)C1C(=O)CCC2C1C2(C)C to have a higher LogP value.,C=C=CC(C)C(Cl)C1C(=O)CCC2C1C2(C)C
MR,Please optimize the molecule C[NH2+]CCN(C)c1ncnc2sc(C)c(C)c12 to have a higher MR value.,Cc1sc2ncnc(N(C)CC[NH2+]CCC=O)c2c1C
QED,Modify the molecule Fc1ccc(Oc2ncnc3ccsc23)cc1F to increase its QED value.,N#Cc1ccc(Oc2ncnc3ccsc23)cc1F
AtomNum,"Please generate a molecule with 23 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(CNC(=O)CNC(=O)C(NC(=O)c2ccc(C)cc2)C(C)C)cc1
BondNum,"The molecule is composed of 12 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",Cc1oc(C[NH2+]C2CC2)cc1COc1cc(Br)ccc1F
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 hydroxyl group, and 1 amine group.",CCCn1c(=O)c2c(nc(Cc3ccccc3)n2CC[NH2+]CC(C)O)n(CCc2ccc(N)cc2)c1=O
AddComponent,Modify the molecule O=C=NC=C(N=C=O)C1CCCCC1 by adding a benzene ring.,O=C=NC(=C(N=C=O)C1CCCCC1)c1ccccc1
SubComponent,Please substitute a O=C(c1cccc(Cl)c1)N1CCC(Oc2nc3ccccc3s2)CC1 in the molecule halo with a thiol.,O=C(c1cccc(S)c1)N1CCC(Oc2nc3ccccc3s2)CC1
DelComponent,Remove a CC1(C(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)OC(=O)C(O)C(O)C(=O)OC(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C2(C)COc3cc(Cl)ccc3O2)COc2cc(Cl)ccc2O1 from the molecule halo.,CC1(C(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)OC(=O)C(O)C(O)C(=O)OC(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C2(C)COc3cc(Cl)ccc3O2)COc2ccccc2O1
LogP,Please optimize the molecule O=C1CN(S(=O)(=O)c2cncc(Br)c2)CN1CC(F)(F)F to have a lower LogP value.,O=C1CN(S(=O)(=O)c2cncc(Br)c2)CN1CC(F)F
MR,Please optimize the molecule CCCCCN1C(=O)C(O)=C(C(=O)C(C)C)C1c1cccc(OCC)c1 to have a lower MR value.,CCCCCN1C(=O)C(O)=C(C(=O)C(C)C)C1OCC
QED,Modify the molecule CCNc1nc(C(=O)[O-])nc2nc[nH]c12 to have a lower QED value.,CC(N)Nc1nc(C(=O)[O-])nc2nc[nH]c12
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)C1CCCN(C(=S)NCC(C)C)C1
BondNum,"There is a molecule composed of 9 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",CCOc1cccc(N)c1C(=O)NCCc1ccccn1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amine group, 2 halo groups, and 1 sulfone group.",Cc1cccc(S(=O)(=O)Cc2ccc(F)c(Br)c2)c1N
AddComponent,Add a hydroxyl to the molecule C1=Nc2ccccc2C2C1=Cc1ccccc12.,OC1=C2C=Nc3ccccc3C2c2ccccc21
SubComponent,Substitute a [NH3+]C(c1cncnc1)c1cc(Cl)cc(Br)c1 in the molecule halo with a carboxyl.,[NH3+]C(c1cncnc1)c1cc(Br)cc(C(=O)[OH])c1
DelComponent,Modify the molecule benzene ring by removing a O=C(COc1ccccc1-c1cnc[nH]1)c1ccncc1.,O=C(COc1cnc[nH]1)c1ccncc1
LogP,Please optimize the molecule O=C(c1cc(-c2ccccc2)on1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 to have a lower LogP value.,O=C(O)C1CC(Cn2c(COc3ccccc3)nc3ccccc32)CCN1C(=O)c1cc(-c2ccccc2)on1
MR,Modify the molecule CCC1CN(Cc2nc(C)cs2)CCC[NH2+]1 to have a higher MR value.,CCC1(C#N)CN(Cc2nc(C)cs2)CCC[NH2+]1
QED,Modify the molecule CCCCCCCCc1cnc(-c2ccc(OCC(O)CC)cc2)nc1 to decrease its QED value.,CCCCCCCCc1cnc(-c2ccc(OCCCC)cc2)nc1
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCC(N(C)C)[NH+](CCCO)CCCO
BondNum,"There is a molecule with 18 single bonds, 2 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",Cc1cnc2c(c1)cc(C(F)(F)F)n2CC1(O)CCN(S(=O)(=O)C(C)C)CC1
FunctionalGroup,The molecule consists of and 1 sulfoxide group.,CS(=O)c1nncn1CC1CCC1
AddComponent,Add a thiol to the molecule CCOC(=O)c1ccc(N2CC[NH+](CC(=O)NC(C)c3ccc(CC)cc3)CC2)nc1.,CCOC(=O)c1ccc(N2CC[NH+](CC(=O)NC(C)c3ccc(CC)cc3S)CC2)nc1
SubComponent,Please substitute a hydroxyl in the molecule CCOC(=O)C1(CCCCO)CCC(C)C1O with a nitrile.,CCOC(=O)C1(CCCCC#N)CCC(C)C1O
DelComponent,Modify the molecule halo by removing a CC1CC(C)C(C)N(C(C)(C[NH3+])Cc2ccc(F)cc2)C1.,CC1CC(C)C(C)N(C(C)(C[NH3+])Cc2ccccc2)C1
LogP,Please modify the molecule O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1nc(-c2ccccc2)cs1 to decrease its LogP value.,O=C(Cc1nc(-c2ccccc2)cs1)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
MR,Optimize the molecule Cc1ccccc1CCC(=O)Cc1cc(Br)cs1 to have a lower MR value.,Cc1ccccc1CCC(=O)Cc1cc(S)cs1
QED,Optimize the molecule O=C(C1CCCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCN(c2nc3ccccc3s2)CC1 to have a higher QED value.,O=C(C1CCCCN1S(=O)(=O)c1ccc(O)s1)N1CCN(c2nc3ccccc3s2)CC1
AtomNum,"There is a molecule consisting of 27 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CC(C1CCC(O)CC1)C1CC=C(c2cnc(NC(O)(O)O)c3oc(-c4cccc5nnsc45)cc23)C=N1
BondNum,"The molecule is composed of 17 single bonds, 2 double bonds, 2 rotatable bonds, and 10 aromatic bonds.",C(=CC1OC1=C1C2CC3CC(C2)CC1C3)c1nc2ccccc2s1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 amine group, and 1 sulfone group.",Cc1ccc(S(=O)(=O)NCC2Oc3ccccc3NC2=O)cc1C
AddComponent,Modify the molecule CCC(C#N)S(=O)(=O)NCC(O)C(F)(F)F by adding a carboxyl.,CCC(C#N)S(=O)(=O)NC(C(=O)O)C(O)C(F)(F)F
SubComponent,Modify the molecule Cc1cc(C)cc(N(CC(C)C)NC(=O)c2cc(COc3cc(F)ccc3F)ccc2CCC(=O)[O-])c1 by substituting a halo with a carboxyl.,Cc1cc(C)cc(N(CC(C)C)NC(=O)c2cc(COc3cc(C(=O)[OH])ccc3F)ccc2CCC(=O)[O-])c1
DelComponent,Remove a hydroxyl from the molecule OC1C=C(c2ccccc2F)C=CS1.,Fc1ccccc1C1=CCSC=C1
LogP,Modify the molecule CCCCC(=O)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1 to increase its LogP value.,CCCCC(=O)Nc1ccc(N2Cc3nc4ccccc4n3C(CC=O)C2)cc1
MR,Please modify the molecule CN(CCc1nc(-c2cccc(F)c2)n[nH]1)C1CCS(=O)(=O)C1 to increase its MR value.,CN(CCc1nc(-c2ccccc2)n[nH]1)C1CCS(=O)(=O)C1
QED,Modify the molecule CCCc1c(NCC)ncnc1N(C)C(CC)CC to decrease its QED value.,CCCc1c(CC)ncnc1N(C)C(CC)CC
AtomNum,"The molecule is composed of 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",O=C1N=C2c3ccccc3OCC2C(c2ccc(O)c(Br)c2)N1
BondNum,"Please generate a molecule composed of 44 single bonds, and 9 rotatable bonds.",CCC(C)OC1C2(C)C(CCCCC(C)C)C3CCCC(C)C3C(O)C2C(C)C2(C)C(O)C(C(C)O)C(C)CC12C
FunctionalGroup,"There is a molecule consisting of 1 amine group, 1 halo group, and 1 nitrile group.",CCNC1(C#N)CCC(n2nc(C)c(Cl)c2C)C1
AddComponent,Modify the molecule CC1(O)CCC[NH+](CC(=O)c2ccc(Br)s2)C1 by adding a carboxyl.,CC1(O)CCC[NH+](CC(=O)c2ccc(Br)s2)C1C(=O)O
SubComponent,Please substitute a FC(F)(F)c1cc(-c2ccccc2-c2ccc3c(c2)sc2cc(-c4ccccc4-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc23)cc(C(F)(F)F)c1 in the molecule halo with a carboxyl.,O=C([OH])C(F)(F)c1cc(-c2ccccc2-c2ccc3c(c2)sc2cc(-c4ccccc4-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc23)cc(C(F)(F)F)c1
DelComponent,Remove a halo from the molecule O=c1nc(-c2ccnc(C(F)(F)F)c2)[nH]c(C2CCOCC2)c1Cl.,O=c1nc(-c2ccnc(C(F)F)c2)[nH]c(C2CCOCC2)c1Cl
LogP,Optimize the molecule COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4OC)c(Cl)c3)c2cc1OC to have a lower LogP value.,COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4OC)c(S)c3)c2cc1OC
MR,Modify the molecule CCN(C(=O)C[NH2+]CC1(N(C)C)CCCC1)C1CC1 to increase its MR value.,CCN(C(=O)C[NH2+]C(S)C1(N(C)C)CCCC1)C1CC1
QED,Modify the molecule Cc1cnccc1C[NH2+]Cc1ccccc1C#N to have a lower QED value.,Cc1cnccc1C[NH2+]CC#N
AtomNum,"There is a molecule consisting of 22 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 3 fluorine atoms.",C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(OC(F)(F)F)cc3)[nH]2)CC1
BondNum,"The molecule contains 10 single bonds, 6 rotatable bonds, and 10 aromatic bonds.",CC[NH+](CC)CCNc1nc(Cl)nc2sc(C)cc12
FunctionalGroup,Please generate a molecule composed of and 2 benzene ring groups.,Cc1cc(P2(=Nc3ccc(C(C)C)cc3)CCCCC2)c2[nH]c3c(P4(=Nc5ccc(C(C)C)cc5)CCCCC4)cc(C)cc3c2c1
AddComponent,Modify the molecule COCCCN(CC(=O)N(CCOC)Cc1cccn1C)S(=O)(=O)c1cccc2cccnc12 by adding a benzene ring.,COCCCN(CC(=O)N(CCOC)C(c1ccccc1)c1cccn1C)S(=O)(=O)c1cccc2cccnc12
SubComponent,Please substitute a CCC(c1[nH]c(-c2ccc3cc(-c4ccc(-c5c[nH+]c(C6CC7(CC7)CN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)cc4)ccc3c2)c[nH+]1)N(CCC#N)C(=O)C(NC(=O)OC)C(C)(C)C in the molecule nitrile with a nitro.,CCC(c1[nH]c(-c2ccc3cc(-c4ccc(-c5c[nH+]c(C6CC7(CC7)CN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)cc4)ccc3c2)c[nH+]1)N(CCNO)C(=O)C(NC(=O)OC)C(C)(C)C
DelComponent,Remove a amine from the molecule Cc1cccnc1CNS(=O)(=O)c1cc(C(=O)[O-])sc1Br.,Cc1cccnc1CS(=O)(=O)c1cc(C(=O)[O-])sc1Br
LogP,Optimize the molecule COCCn1c(SCC(=O)N2CCCC(C)C2)nnc1-c1cccc(C)c1 to have a higher LogP value.,COCCn1c(SC2CCC(C)C2)nnc1-c1cccc(C)c1
MR,Modify the molecule CC(C)(CC(=O)[O-])n1cc(C#N)cn1 to increase its MR value.,CC(CO)(CC(=O)[O-])n1cc(C#N)cn1
QED,Optimize the molecule CC1CCC(C)N1c1nc(=O)nc(Nc2ccc3ncsc3c2)[nH]1 to have a higher QED value.,CC1CCC(C)N1c1nc(=O)nc(-c2ccc3ncsc3c2)[nH]1
AtomNum,"There is a molecule with 21 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(CNC(=O)c1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1
BondNum,"There is a molecule consisting of 7 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC(C)OC(=O)Nc1cncc(Br)c1
FunctionalGroup,"The molecule has 1 ester group, 1 amide group, and 1 sulfide group.",CCCOC(=O)c1c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)sc2c1CCCCC2
AddComponent,Add a benzene ring to the molecule O=c1ccc2cc(OCC(O)C[NH+]3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2[nH]1.,O=c1ccc2cc(OCC(O)C[NH+]3CCN(c4ccc(C(F)(F)F)cc4)C(c4ccccc4)C3)ccc2[nH]1
SubComponent,Modify the molecule halo by substituting a Cc1ncc(C2CCC(CI)O2)s1 with a carboxyl.,Cc1ncc(C2CCC(CC(=O)[OH])O2)s1
DelComponent,Modify the molecule CNS(=O)(=O)CC(=O)N1CCC(c2cc3c(-c4cc(F)ccc4OC)c(C#N)cnc3[nH]2)CC1 by removing a halo.,CNS(=O)(=O)CC(=O)N1CCC(c2cc3c(-c4ccccc4OC)c(C#N)cnc3[nH]2)CC1
LogP,Please modify the molecule O=C([O-])c1ccc(I)c(OCc2ncccn2)c1 to decrease its LogP value.,O=C([O-])c1cccc(OCc2ncccn2)c1
MR,Please optimize the molecule COc1ccc2c(c1)C(CC(=O)c1cccc(NC(=O)c3c(Cl)cc(Cl)cc3Cl)c1)=NC(C)(C)C2 to have a higher MR value.,COc1ccc2c(c1)C(CC(=O)c1cccc(NC(=O)c3c(Cl)cc(Cl)cc3NO)c1)=NC(C)(C)C2
QED,Please optimize the molecule NC(=[NH2+])c1ccc2cc(CS(=O)(=O)OC(=O)c3ccc(OCc4ccccc4)cc3)ccc2c1 to have a lower QED value.,NC(=[NH2+])c1ccc2cc(C(O)S(=O)(=O)OC(=O)c3ccc(OCc4ccccc4)cc3)ccc2c1
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 sulfur atoms.",CCCn1cc[nH+]c1CC(O)C1SCCSC1CC
BondNum,"The molecule consists of 7 single bonds, 2 double bonds, 3 rotatable bonds, and 21 aromatic bonds.",Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1cccs1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amine group.",Cc1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nc2)cc1C
AddComponent,Modify the molecule C[Si](C)(C)CCOCn1ccc2c(NC3CCCCC3)c(S(C)(=O)=O)c[nH+]c21 by adding a thiol.,C[Si](C)(CS)CCOCn1ccc2c(NC3CCCCC3)c(S(C)(=O)=O)c[nH+]c21
SubComponent,Please substitute a nitrile in the molecule Cn1c(C([NH3+])c2ccc(C#N)cc2)nc2cc(C(C)(C[NH3+])C(=O)N3CCCC3)ccc21 with a halo.,Cn1c(C([NH3+])c2ccc(I)cc2)nc2cc(C(C)(C[NH3+])C(=O)N3CCCC3)ccc21
DelComponent,Modify the molecule NC(=O)Nc1ccc(C(=O)NCC2(O)CCCCC2)cc1 by removing a hydroxyl.,NC(=O)Nc1ccc(C(=O)NCC2CCCCC2)cc1
LogP,Modify the molecule CCOCCCOc1cc(C(N)=[NH+]O)ccc1C to increase its LogP value.,CCOCCCOc1cc(C(=[NH+])N)ccc1C
MR,Modify the molecule CC1CC(Oc2ccc(Cc3cc(Br)ccc3Cl)cc2)CC1C to have a lower MR value.,CC1CC(Oc2ccc(Cc3cc(C#N)ccc3Cl)cc2)CC1C
QED,Modify the molecule CC=c1ccc2c(c1C1=CC(OCCO[Si](C)(C)C)=CC1)C=c1ccccc1=2 to have a lower QED value.,CC=c1ccc2c(c1C1=C(C(=O)O)C(OCCO[Si](C)(C)C)=CC1)C=c1ccccc1=2
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCNc1nc(N)c(C(=O)N(CC)CCO)s1
BondNum,"There is a molecule with 7 single bonds, 2 double bonds, 5 rotatable bonds, and 15 aromatic bonds.",Cn1c(SCC(=O)NN=Cc2ccco2)nc2ccccc21
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 amide groups, and 1 halo group.",O=C(C[NH+]1CCN(C(=O)c2cc3ccccc3nc2N2CCCC2)CC1)Nc1ccc(F)cc1
AddComponent,Please add a benzene ring to the molecule CN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2ccsc21.,CN1C(=O)N(Cc2cccc(-c3ccccc3)c2)S(=O)(=O)c2ccsc21
SubComponent,Please substitute a nitrile in the molecule CC(C)c1cccc(C(C)C)c1Nc1cnnc(Nc2ccccc2C#N)n1 with a carboxyl.,CC(C)c1cccc(C(C)C)c1Nc1cnnc(Nc2ccccc2C(=O)[OH])n1
DelComponent,Please remove a C[NH+]=C(NCC1CC(=O)N(CCc2ccccc2)C1)NCC1CCCO1 from the molecule amine.,CC(NCC1CC(=O)N(CCc2ccccc2)C1)NCC1CCCO1
LogP,Optimize the molecule O=S1(=O)CCCCC1c1nc(N2CCC[NH2+]CC2)n[nH]1 to have a lower LogP value.,O=S1(=O)CCCCC1c1nc(N2CC[NH2+]CC(O)C2)n[nH]1
MR,Please modify the molecule O=C(c1ccc(F)cc1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 to increase its MR value.,O=C(O)c1cc(C(=O)C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)ccc1F
QED,Please optimize the molecule CCN(Cc1ccccc1)CC([NH3+])c1cnn(C)c1 to have a lower QED value.,CCN(C)CC([NH3+])c1cnn(C)c1
AtomNum,"The molecule consists of 21 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",Cc1nc2c(SCC(=O)NC3CCCCC3)nnc(-c3ccc4c(c3)OCO4)c2s1
BondNum,"Please generate a molecule with 16 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",Cc1nccn1-c1ccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)nn1
FunctionalGroup,"Please generate a molecule composed of 2 ester groups, and 1 halo group.",COC(=O)C(C(=O)OC)=P(Br)(C(C)C)C(C)(C)C
AddComponent,Please add a hydroxyl to the molecule COCC1(c2cccc(C3(C[NH3+])CC3)c2)CC1.,COCC1(c2cc(O)cc(C3(C[NH3+])CC3)c2)CC1
SubComponent,Please substitute a halo in the molecule CC(=O)Cc1ccc(Br)cc1CC(=O)[O-] with a nitrile.,CC(=O)Cc1ccc(C#N)cc1CC(=O)[O-]
DelComponent,Modify the molecule Cc1cccc(OCC(=O)NN2C(=O)c3ccccc3NC2c2ccc(Br)o2)c1 by removing a amine.,Cc1cccc(OCC(=O)NN2C(=O)c3ccccc3C2c2ccc(Br)o2)c1
LogP,Modify the molecule CCCC1CC=CCCCCC(=NOCC(=O)N2CCCCC2)Cc2cc(O)cc([O-])c2C(=O)O1 to have a higher LogP value.,CCCC1CC=CCCCCC(=NOCC(=O)N2CCCCC2c2ccccc2)Cc2cc(O)cc([O-])c2C(=O)O1
MR,Optimize the molecule Cn1c(C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc(=O)n(C)c1=O to have a lower MR value.,Cn1c(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)cc(=O)n(C)c1=O
QED,Please modify the molecule CC(COCc1ccccc1)(COCc1ccccc1)OCc1ccccc1 to decrease its QED value.,CC(COCc1ccccc1)(OCc1ccccc1)C(OCc1ccccc1)c1ccccc1
AtomNum,"Please generate a molecule with 20 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCOc1ccc(NC(=O)NCC(O)c2ccc3c(c2)CCN3C)cc1
BondNum,"There is a molecule composed of 18 single bonds, 4 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1Br
FunctionalGroup,The molecule contains and 2 benzene ring groups.,CC(CCc1ccccc1OCC1CO1)Cc1ccccc1
AddComponent,Modify the molecule CCCCCCN(C(=O)C(CS)NC(=O)OC(C)(C)C)C(C(=O)NC(C)C)c1ccc(CC)cc1 by adding a thiol.,CCCCCCN(C(=O)C(CS)NC(=O)OC(C)(C)C)C(C(=O)NC(C)C)c1ccc(CCS)cc1
SubComponent,Substitute a halo in the molecule CC[NH+](CC)CCOc1c(F)cc(F)cc1S(=O)(=O)Cl with a aldehyde.,CC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1OCC[NH+](CC)CC
DelComponent,Remove a CCCCCCOc1ccc(S(=O)(=O)c2ccc(OCCCCCCOC(=O)c3cc(OCCCCCCOc4ccc(-c5ccc(C#N)cc5)cc4)cc(C(=O)[O-])c3)cc2)cc1 from the molecule benzene ring.,CCCCCCOc1ccc(S(=O)(=O)OCCCCCCOC(=O)c2cc(OCCCCCCOc3ccc(-c4ccc(C#N)cc4)cc3)cc(C(=O)[O-])c2)cc1
LogP,Please modify the molecule COc1ccc(C2CCC[NH+]2CC(O)COc2ccc(C#N)cc2)c(OC)c1 to increase its LogP value.,COc1ccc(C2CCC[NH+]2CCCOc2ccc(C#N)cc2)c(OC)c1
MR,Please optimize the molecule CCOC(=O)[N-]C(=O)C(C#N)=CNc1ccc(CC)cc1 to have a lower MR value.,CCOC(=O)[N-]C(=O)C(C#N)=Cc1ccc(CC)cc1
QED,Modify the molecule [O-]c1c(F)ccc(CN2CC[NH2+]CC2)c1F to decrease its QED value.,[O-]c1c(O)ccc(CN2CC[NH2+]CC2)c1F
AtomNum,"There is a molecule composed of 15 carbon atoms, 2 oxygen atoms, 1 fluorine atom, and 2 chlorine atoms.",O=C(c1cc2ccccc2o1)c1cc(F)c(Cl)cc1Cl
BondNum,"The molecule consists of 10 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",Cc1cc(Br)cc(N)c1NC(=O)CCC(C)C
FunctionalGroup,"Please generate a molecule composed of 1 amide group, and 3 halo groups.",O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCNC1=O
AddComponent,Modify the molecule [NH3+]C1CCC(c2c(F)cc3c(=O)c4c(=O)[nH]sc4n(-c4ccc(F)cc4)c3c2Cl)CC1 by adding a carboxyl.,[NH3+]C1CCC(c2c(F)cc3c(=O)c4c(=O)[nH]sc4n(-c4ccc(F)c(C(=O)O)c4)c3c2Cl)CC1
SubComponent,Modify the molecule Nc1c(-c2ccccc2)nsc1C(=O)NCc1ccccc1F by substituting a halo with a nitro.,Nc1c(-c2ccccc2)nsc1C(=O)NCc1ccccc1NO
DelComponent,Please remove a hydroxyl from the molecule Cc1ccc(NC(=O)NCC(C)(O)c2ccc3c(c2)OCO3)cc1C.,Cc1ccc(NC(=O)NCC(C)c2ccc3c(c2)OCO3)cc1C
LogP,Please modify the molecule O=C(CSc1nnc(NC2CC2)s1)c1ccc(F)cc1 to decrease its LogP value.,O=C(CSc1nnc(NC2CC2)s1)c1ccccc1
MR,Modify the molecule CCNC(NCCCOCC1CC1)=[NH+]CCCc1ccccc1 to have a higher MR value.,CCNC(NCCCOCC1CC1)=[NH+]CCCc1cccc(-c2ccccc2)c1
QED,Please optimize the molecule CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)OCCOCC(=O)NCc1ccc(B(O)O)cc1F)OC(=O)CCCCCCCCCCCCCCCCC to have a lower QED value.,CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)OCCOCC(=O)NCc1ccc(B(O)O)cc1F)OC(=O)CCCCCCCCCCCCCCCCCO
AtomNum,"There is a molecule consisting of 29 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1cc(C(=O)Nc2cc(F)ccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
BondNum,"The molecule is composed of 17 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",COc1cccc(C(=O)NCC2CCC(c3cc(C(N)=O)c4ccccc4n3)CC2)c1OC
FunctionalGroup,The molecule consists of and 2 amine groups.,CC(Nc1ccc(N)c2ccncc12)C1CC1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(C(=O)CSc2[nH+]cc(CO)n2Cc2ccccc2C(F)(F)F)cc1.,COc1ccc(C(=O)CSc2[nH+]cc(CO)n2Cc2ccccc2C(F)(F)F)cc1O
SubComponent,Please substitute a halo in the molecule Nc1noc(-c2cccc3ccccc23)c1I with a nitro.,Nc1noc(-c2cccc3ccccc23)c1NO
DelComponent,Please remove a benzene ring from the molecule CCC(C1=CC=CCC1)C(c1ccccc1)c1ccc(CCC[NH+](C)C)cc1.,CCC(Cc1ccc(CCC[NH+](C)C)cc1)C1=CC=CCC1
LogP,Optimize the molecule CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 to have a lower LogP value.,CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2N)cc1
MR,Modify the molecule O=C(C1C[NH2+]C1)N1CCc2ccc(F)cc2C1 to have a higher MR value.,O=C(C1C[NH2+]C1)N1CCc2ccc(O)cc2C1
QED,Optimize the molecule CCS(=O)(=O)CCCC(O)COCC(F)(F)F to have a lower QED value.,CC(=O)C(CCCS(=O)(=O)CC)COCC(F)(F)F
AtomNum,"The molecule has 13 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)(C)c1ncc(OC2CCC[NH2+]C2)cn1
BondNum,"The molecule consists of 21 single bonds, 1 double bond, and 4 rotatable bonds.",CC(C)[NH+]1CCOC(C[NH+]2C3CCC2C(C(=O)[O-])C3)C1
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,CCOc1ncccc1C(=O)N(CC)CCN(C)c1nc(C)cc(C)n1
AddComponent,Add a hydroxyl to the molecule CC(Cc1cc(F)ccc1Br)C(Cl)c1ccccc1.,CC(Cc1cc(F)c(O)cc1Br)C(Cl)c1ccccc1
SubComponent,Please substitute a halo in the molecule CCc1sc2ccc(C(=O)[O-])cc2c1CCl with a hydroxyl.,CCc1sc2ccc(C(=O)[O-])cc2c1CO
DelComponent,Please remove a COc1ccc(C2OCC(C)C(C(C)C#CC(O)CC(O[Si](C)(C)C(C)(C)C)C(C)C3OC(c4ccc(OC)cc4)OCC3C)O2)cc1 from the molecule hydroxyl.,COc1ccc(C2OCC(C)C(C(C)C#CCCC(O[Si](C)(C)C(C)(C)C)C(C)C3OC(c4ccc(OC)cc4)OCC3C)O2)cc1
LogP,Modify the molecule COC(=O)c1c(Cl)cccc1CCCBr to have a lower LogP value.,COC(=O)C(Cl)CCBr
MR,Optimize the molecule CC1CCN(C(=O)c2cncc(NCCc3ccc(Cl)cc3)c2)CC1 to have a higher MR value.,CC(=O)c1ccc(CCNc2cncc(C(=O)N3CCC(C)CC3)c2)cc1
QED,Optimize the molecule [NH2+]=C(C[N+](=O)[O-])N1CCCCC1 to have a lower QED value.,[NH2+]=C(C[N+](=O)[O-])N1CCCCC1O
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 5 oxygen atoms, 1 sulfur atom, and 2 chlorine atoms.",CC(C)(O)CCS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl
BondNum,"Please generate a molecule consisting 14 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",COc1cncc(CNC(=O)C2Cc3ccccc3OC2C(F)F)c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, 2 halo groups, and 2 nitrile groups.",CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCC#N
AddComponent,Add a benzene ring to the molecule O=C(CNC(=O)c1cccs1)NC1(C(=O)[O-])CCCCCC1.,O=C(CNC(=O)c1sccc1-c1ccccc1)NC1(C(=O)[O-])CCCCCC1
SubComponent,Please substitute a halo in the molecule Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Br)ccc1Cl with a nitrile.,N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(N)c2)c(Br)c1
DelComponent,Modify the molecule Clc1cc(NCCCn2ccnn2)nc(C2CC2)n1 by removing a halo.,c1cn(CCCNc2ccnc(C3CC3)n2)nn1
LogP,Modify the molecule CC(=O)c1ccc(N2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)c(F)c1 to have a higher LogP value.,CC(=O)c1ccc(N2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)c(S)c1
MR,Optimize the molecule CCOC(=O)Cc1c(N)[nH]c(C(OC)C2CC2)nc1=O to have a lower MR value.,CCOC(=O)Cc1c[nH]c(C(OC)C2CC2)nc1=O
QED,Modify the molecule Cn1ncc(Cl)c1C1CCCCCN1C(=O)c1cc(C2CC2)on1 to have a higher QED value.,Cn1ncc(S)c1C1CCCCCN1C(=O)c1cc(C2CC2)on1
AtomNum,"There is a molecule composed of 14 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCN(C)S(=O)(=O)N(CC)CC(O)c1ccc(C)cc1
BondNum,"The molecule contains 9 single bonds, and 6 rotatable bonds.",CCCCCSCC(C)O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 1 sulfone group.",CC1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CC3CCCCC3C2)cc1
AddComponent,Please add a thiol to the molecule CCOO[Si](CCC[P+](CC)(CC)CC)(OOCC)OOCC.,CCOO[Si](CC(S)C[P+](CC)(CC)CC)(OOCC)OOCC
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ccc(C(=O)C[NH3+])cc1CO with a nitrile.,Cc1ccc(C(=O)C[NH3+])cc1CC#N
DelComponent,Remove a halo from the molecule O=c1cc(C(F)F)ncn1CC1CC[NH+](CC2OCCc3ccccc32)CC1.,O=c1cc(CF)ncn1CC1CC[NH+](CC2OCCc3ccccc32)CC1
LogP,Modify the molecule Cc1ccc(OCC(=O)NCCOc2cc(C)c(C)cc2C)cc1 to increase its LogP value.,Cc1ccc(OCC(=O)NCCOc2cc(C)c(C)cc2C)c(-c2ccccc2)c1
MR,Please modify the molecule c1ccc(-c2ccc(OCn3ccc(-c4nc5c6cnn(-c7ccccc7)c6ncn5n4)n3)cc2)cc1 to increase its MR value.,c1ccc(-c2ccc(OCn3ccc(-c4nc5c6cnn(-c7ccccc7-c7ccccc7)c6ncn5n4)n3)cc2)cc1
QED,Modify the molecule O=S(=O)(c1cc2c(cc1Br)OCCO2)N1CC2CCCC2C1 to increase its QED value.,O=S(=O)(c1cc2c(cc1S)OCCO2)N1CC2CCCC2C1
AtomNum,"There is a molecule composed of 12 carbon atoms, 1 oxygen atom, 2 sulfur atoms, 2 fluorine atoms, and 2 chlorine atoms.",O=C(CSc1ccc(F)cc1F)c1cc(Cl)sc1Cl
BondNum,"The molecule consists of 14 single bonds, 2 double bonds, 2 triple bonds, 9 rotatable bonds, and 18 aromatic bonds.",C#CCOc1c(Cl)cc(C=C(C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC
FunctionalGroup,"The molecule has 1 hydroxyl group, and 1 amide group.",Cc1[nH]c2ccccc2c1C(=O)N1CCC(C(C)O)C1
AddComponent,Add a benzene ring to the molecule CN1CCC[NH+](CC(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)CC1.,CN1CC[NH+](CC(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)CCC1c1ccccc1
SubComponent,Modify the molecule O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(OC(F)F)c(F)c1 by substituting a halo with a hydroxyl.,O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(OC(O)F)c(F)c1
DelComponent,Modify the molecule amine by removing a CC(=O)C1C(C(C)(C)C)C2c3ncccc3NC2[NH+]1C.,CC(=O)C1C(C(C)(C)C)C2c3ncccc3C2[NH+]1C
LogP,Please modify the molecule CCn1cc(S(=O)(=O)N2CCC3CCCCC32)cc1CCl to decrease its LogP value.,CCn1cc(S(=O)(=O)N2CCC3CCCCC32)cc1CS
MR,Optimize the molecule FC(F)(F)c1cc(Br)ccc1NCc1cccc(Cl)c1Cl to have a higher MR value.,CC(=O)C(F)(F)c1cc(Br)ccc1NCc1cccc(Cl)c1Cl
QED,Please optimize the molecule O=C(CN1C(=O)C2CCCCC2C1=O)OCC(=O)c1ccc(-c2ccc(Br)cc2)cc1 to have a higher QED value.,O=C(CC1CCCCC1=O)OCC(=O)c1ccc(-c2ccc(Br)cc2)cc1
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1cccc2c1C(C[NH+]1CCC3(CC1)C(=O)NCN3c1ccccc1)CCO2
BondNum,"Please generate a molecule composed of 20 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",Cc1csc(N2CCC(C(=O)Nc3cccc(CSC4CCOCC4)c3)CC2)n1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 3 ester groups, 1 amide group, and 2 nitro groups.",COC(=O)C1C(CC(=O)OC(C)(C)C)C(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CN1C(=O)c1ccccc1
AddComponent,Please add a benzene ring to the molecule CC(C)CC([NH2+]C=C(C#N)C(=O)N1CCN(CC[NH3+])CC1)C(=O)[O-].,CC(C)CC([NH2+]C=C(C#N)C(=O)N1CCN(CC[NH3+])C(c2ccccc2)C1)C(=O)[O-]
SubComponent,Modify the molecule thiol by substituting a CCCCC(CS)C(S)(S)SS with a hydroxyl.,CCCCC(CO)C(S)(S)SS
DelComponent,Please remove a CC(C)C[NH+](C(C)C)C1CC(C)(C)Oc2cc(O)ccc21 from the molecule hydroxyl.,CC(C)C[NH+](C(C)C)C1CC(C)(C)Oc2ccccc21
LogP,Modify the molecule O=S(=O)(CCC1CCOCC1)NCC1(C2CC2)CCC1 to increase its LogP value.,O=S(=O)(CCC1CCOCC1)CC1(C2CC2)CCC1
MR,Please optimize the molecule O=C(Cc1ccn[nH]1)NCCCc1[nH]cc[nH+]1 to have a lower MR value.,c1cc(CCCc2[nH]cc[nH+]2)[nH]n1
QED,Optimize the molecule COc1c(C(C)NC(=O)[O-])cc(Cl)c(C)c1C(O)C[NH2+]C(C)C to have a lower QED value.,COc1c(C(C)NC(=O)[O-])cc(Cl)c(C)c1C(O)C(O)[NH2+]C(C)C
AtomNum,"There is a molecule consisting of 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",O=C(NC1CCSC1)N1Cc2ccccc2C2(CC2)C1
BondNum,"Please generate a molecule composed of 19 single bonds, 4 double bonds, 13 rotatable bonds, and 24 aromatic bonds.",NC(=NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(-c2ccc(O)cc2)cc1)N[N+](=O)[O-]
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 3 amide groups.",COc1ccc(NC(=O)CNC(=O)CN(CC(C)C)C(=O)c2ccc3ccccc3c2)cc1
AddComponent,Please add a benzene ring to the molecule CC(C)(CO)Nc1ccc2[nH]c(=O)[nH]c2c1.,CC(C)(CO)Nc1cc2[nH]c(=O)[nH]c2cc1-c1ccccc1
SubComponent,Substitute a COCCNc1nnc(SCCOc2ccc(F)cc2)s1 in the molecule halo with a carboxyl.,COCCNc1nnc(SCCOc2ccc(C(=O)[OH])cc2)s1
DelComponent,Please remove a CCOC(=O)C1CCC[NH+](C(c2ccc(CC)cc2)C2Sc3nc(CC)nn3C2=O)C1 from the molecule benzene ring.,CCOC(=O)C1CCC[NH+](C(CC)C2Sc3nc(CC)nn3C2=O)C1
LogP,Optimize the molecule CCOC(=O)Cn1nc(S(=O)Cc2ccc(Cl)cc2)n2cnc(C)c2c1=O to have a lower LogP value.,CCOC(=O)Cn1nc(S(=O)CCl)n2cnc(C)c2c1=O
MR,Please optimize the molecule CC(C(=O)Nc1nc(-c2ccc(F)cc2Cl)cs1)c1cccc2c1c(=O)n(C)c(=O)n2C to have a higher MR value.,CC(C(=O)Nc1nc(-c2cc(O)c(F)cc2Cl)cs1)c1cccc2c1c(=O)n(C)c(=O)n2C
QED,Modify the molecule Cc1ccn(CCCOCC(F)(F)F)c1C(=O)[O-] to have a lower QED value.,Cc1ccn(CCCOCC(F)(F)C(=O)[OH])c1C(=O)[O-]
AtomNum,"The molecule consists of 27 carbon atoms, and 8 oxygen atoms.",COC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)c4cc5ccccc5o4)ccc3c2=O)cc1
BondNum,"There is a molecule with 20 single bonds, 2 double bonds, 2 rotatable bonds, and 10 aromatic bonds.",CCOC(=O)C1=CC23CCOC2CC[NH+]2CCc4c(n1c1ccccc41)C23
FunctionalGroup,There is a molecule with and 1 sulfide group.,Cn1cc[nH+]c1CC[NH2+]Cc1csc(-c2ccccn2)n1
AddComponent,Add a carboxyl to the molecule Cc1cc2c(s1)-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1C2(C)C.,Cc1cc2c(s1)-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccc(C(=O)O)cc34)cc1C2(C)C
SubComponent,Please substitute a CCN(C(=O)c1ccc(C)cc1-n1nccn1)C(C)CNc1ncc(C(F)(F)F)cn1 in the molecule halo with a thiol.,CCN(C(=O)c1ccc(C)cc1-n1nccn1)C(C)CNc1ncc(C(F)(F)S)cn1
DelComponent,Remove a CCN(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(Cc2ccccc2C)c1=O from the molecule benzene ring.,CCN(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(CC)c1=O
LogP,Please optimize the molecule CC(C)N1C(=O)C2(CC2)c2cc(-c3csc(-c4ccncc4)n3)ccc21 to have a higher LogP value.,CC(C)CCc1cccc(-c2csc(-c3ccncc3)n2)c1
MR,Modify the molecule O=C([O-])C1CN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)CC1C1CC1 to have a higher MR value.,CC(=O)c1ccc2nc(C3CC3)cc(C(=O)N3CC(C(=O)[O-])C(C4CC4)C3)c2c1
QED,Optimize the molecule COc1cc(N)cc(C=O)c1OC to have a higher QED value.,COc1c(C=O)cc(N)cc1OCC(=O)O
AtomNum,"Please generate a molecule with 13 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",CCC(=O)N1Cc2cccc(Br)c2CC1C(=O)[O-]
BondNum,"The molecule is composed of 12 single bonds, 2 double bonds, 1 triple bond, 8 rotatable bonds, and 22 aromatic bonds.",CC(C)CCn1c(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)nc2ccccc2c1=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 2 halo groups.",CC(Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc2c(c1)C[NH2+]C2
AddComponent,Modify the molecule C[NH2+]C(C)C(=O)NC1CCCC1n1ccnc1 by adding a hydroxyl.,C[NH2+]C(C)C(=O)NC1C(O)CCC1n1ccnc1
SubComponent,Substitute a halo in the molecule CC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)OC(C)C(=O)N1CCNC1=O with a carboxyl.,CC(NS(=O)(=O)c1cccc(C(=O)[OH])c1)C(=O)OC(C)C(=O)N1CCNC1=O
DelComponent,Modify the molecule halo by removing a CC(NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1)c1cccs1.,CC(NC(=O)COC(=O)c1ccc(C(F)F)cc1)c1cccs1
LogP,Modify the molecule CCOc1c(Cl)cc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)C2c2ccc(C(C)(C)C)cc2)cc1Cl to decrease its LogP value.,CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)C2c2ccc(C(C)(C)C)cc2)cc1Cl
MR,Optimize the molecule CC(Nc1cc(-c2ccccc2)nc(NCc2ccncc2)n1)c1ccccc1 to have a lower MR value.,CC(Nc1ccnc(NCc2ccncc2)n1)c1ccccc1
QED,Modify the molecule CC(=O)OC(C)CCCC(O)C=CC1C(O)CC(Cl)C1CCCc1ccc(C(=O)[O-])s1 to decrease its QED value.,CC(=O)OC(C)CCCC(O)C=CC1C(O)CC(N)(Cl)C1CCCc1ccc(C(=O)[O-])s1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",Nc1[nH]c(-c2ccc(F)cc2Br)nc(=O)c1CC(=O)[O-]
BondNum,"There is a molecule consisting of 11 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",C[NH2+]CCC(C)(C)c1c(Cl)cnn1C(C)C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, 1 amide group, and 1 halo group.",Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)N(C)c1ccccc1
AddComponent,Modify the molecule CCCCCC(=O)OCC(C(=O)OC1CC2C3OC3C(C1)[NH+]2C)c1ccccc1 by adding a benzene ring.,CCCCCC(=O)OC(c1ccccc1)C(C(=O)OC1CC2C3OC3C(C1)[NH+]2C)c1ccccc1
SubComponent,Modify the molecule halo by substituting a NC(N)=[NH+]C1CC1c1cc(F)c(F)c(F)c1 with a nitro.,NC(N)=[NH+]C1CC1c1cc(F)c(F)c(NO)c1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(OCC(=O)NCC(C)(O)c2cccs2)c(C)c1.,CCOCC(=O)NCC(C)(O)c1cccs1
LogP,Modify the molecule O=C(Nc1ccccc1)OCCOc1ccccc1Br to have a lower LogP value.,O=C(Nc1ccccc1)OCCOc1ccccc1
MR,Modify the molecule C[NH+](C)CC1=C(Nc2ccccc2)COC1=O to decrease its MR value.,C[NH+](C)CC1=C(N)COC1=O
QED,Optimize the molecule OC(CI)C[NH+]1CCOCC1 to have a lower QED value.,O=C(O)C(C(O)CI)[NH+]1CCOCC1
AtomNum,"The molecule contains 17 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 2 sulfur atoms, and 1 fluorine atom.",CCSc1ccccc1NC(=O)CSCc1ccccc1F
BondNum,"The molecule has 7 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",O=C(c1ccc(OC(F)F)cc1)c1ccc(Br)s1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",O=C(CCNS(=O)(=O)c1ccccc1)Nc1c(F)cccc1Oc1ccccc1
AddComponent,Modify the molecule CCCNc1nc(-c2ncccc2CC)nc(C)c1CC by adding a hydroxyl.,CCc1cccnc1-c1nc(C)c(CC)c(NCCCO)n1
SubComponent,Please substitute a halo in the molecule O=C(OC(Cl)CC(Cl)Cl)OC(Cl)CC(Cl)Cl with a carboxyl.,O=C(OC(Cl)CC(Cl)Cl)OC(CC(Cl)Cl)C(=O)[OH]
DelComponent,Remove a amide from the molecule COc1cc(C(O)C(CC2Cc3ccccc3C2)Cn2ccc(C=CC(=O)NS(C)(=O)=O)c2)cc(OC)c1C.,COc1cc(C(O)C(CC2Cc3ccccc3C2)Cn2ccc(CS(C)(=O)=O)c2)cc(OC)c1C
LogP,Optimize the molecule CCc1ncnc(N2CCC(OCCCl)CC2)c1F to have a lower LogP value.,CCc1ncnc(N2CCC(OCCS)CC2)c1F
MR,Please optimize the molecule CCOC(=O)c1ccccc1NC(=O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 to have a higher MR value.,CC(OC(=O)c1ccccc1NC(=O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1
QED,Please modify the molecule CCC(=O)Nc1cc(Cl)cc(Cl)c1OC to decrease its QED value.,CCC(=O)Nc1cc(Cl)ccc1OC
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",CCC(C)(O)COc1cccc(Cl)c1C[NH2+]C
BondNum,"There is a molecule consisting of 7 single bonds, 1 double bond, 5 rotatable bonds, and 26 aromatic bonds.",CCc1c(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cnn1-c1ccccn1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amide groups, 1 amine group, 3 halo groups, and 1 sulfone group.",O=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
AddComponent,Add a carboxyl to the molecule CC1CN(c2nc(Cc3ccc(Cl)cc3)ns2)CCN1C(=O)c1ccc(Br)cc1.,O=C(O)CC1CN(c2nc(Cc3ccc(Cl)cc3)ns2)CCN1C(=O)c1ccc(Br)cc1
SubComponent,Please substitute a halo in the molecule CCn1c(NC(=O)C23CCC(CC2=O)C3(C)C)nc2ccc(F)cc21 with a nitrile.,CCn1c(NC(=O)C23CCC(CC2=O)C3(C)C)nc2ccc(C#N)cc21
DelComponent,Please remove a amine from the molecule Cc1cc(N2CCCCCC2)cc(C)c1N.,Cc1cc(C)cc(N2CCCCCC2)c1
LogP,Please modify the molecule CCOc1cc(C=C2SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl to decrease its LogP value.,CCOc1cc(C=C2SC(=O)N(CC(=O)Nc3ccc(O)cc3Cl)C2=O)cc(I)c1OCc1ccccc1Cl
MR,Modify the molecule Cn1ncc(NCCOCc2ccc(Cl)cc2)c(Cl)c1=O to have a lower MR value.,Cn1ncc(NCCOCc2ccc(Cl)cc2)cc1=O
QED,Modify the molecule CCCCc1cn(CCC(C)C)c(=O)n1-c1ccc(-c2ncccc2-c2nn[n-]n2)cc1 to increase its QED value.,CCCCc1cn(CCC(C)C)c(=O)n1-c1ncccc1-c1nn[n-]n1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc(C(=O)NC)c1C
BondNum,"Please generate a molecule composed of 4 single bonds, 4 rotatable bonds, and 58 aromatic bonds.",c1ccc(-c2nc(-c3cccc4c(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)cccc34)nc3ccccc23)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 3 halo groups.",Cc1nn(CC(=O)Nc2ncn(Cc3ccc(F)cc3)n2)c2nc(-c3ccco3)cc(C(F)F)c12
AddComponent,Please add a carboxyl to the molecule CCc1ccc(OC(F)(F)F)cc1C.,Cc1cc(OC(F)(F)F)ccc1CCC(=O)O
SubComponent,Please substitute a CCC(CC)[NH+](Cc1ccc(O)c(F)c1)CC(C)C in the molecule halo with a nitrile.,CCC(CC)[NH+](Cc1ccc(O)c(C#N)c1)CC(C)C
DelComponent,Modify the molecule COc1ccc2[nH]cc(CC(=O)N3CC(OC)CC3CC(=O)[O-])c2c1 by removing a amide.,COc1ccc2[nH]cc(C3(CC(=O)[O-])CC(OC)C3)c2c1
LogP,Optimize the molecule CC(=O)NC1C(OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3OC3OC(CO)C(O)C(O)C3NC(=O)CCCCCCC(C)C)Oc3ccc(cc3-c3ccoc3)CC3NC(=O)C([NH3+])c5ccc(O)c(c5)Oc5cc(O)cc(c5)C(NC3=O)C(=O)NC4C(=O)NC3C(=O)NC2C(=O)NC(C(=O)[O-])c2cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c2-c2cc3ccc2O)OC(CO)C(O)C1O to have a higher LogP value.,CC(C)CCCCCCC(=O)NC1C(Oc2c3cc4cc2Oc2ccc(cc2-c2ccoc2)CC2NC(=O)C([NH3+])c5ccc(O)c(c5)Oc5cc(O)cc(c5)C(NC2=O)C(=O)NC4C(=O)NC2C(=O)NC(C(=O)NC(C(=O)[O-])c4cc(O)cc(OC5OC(CO)C(O)C(O)C5O)c4-c4cc2ccc4O)C(OC2CC(O)C(O)C(CO)O2)c2ccc(c(Cl)c2)O3)OC(CO)C(O)C1O
MR,Please optimize the molecule CCCCc1nc(Cc2ccc(OC)cc2)sc1C(=O)[O-] to have a lower MR value.,CCCCc1nc(COC)sc1C(=O)[O-]
QED,Optimize the molecule CCC(CC)(CNc1nc2ccccc2cc1C)C(=O)[O-] to have a lower QED value.,CCC(CC)(Cc1nc2ccccc2cc1C)C(=O)[O-]
AtomNum,"The molecule is composed of 31 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",O=C(Nc1ccccc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",Cc1cc(Cl)ccc1OCC(=O)O[Si](C)(C)C(C)C#N
FunctionalGroup,The molecule contains and 1 amide group.,CC1CC(C(=O)N(CC2CCCC[NH2+]2)C(C)C)CO1
AddComponent,Add a benzene ring to the molecule O=C([O-])CCC(NC(=O)NCC1CCS(=O)(=O)C1)C(=O)[O-].,O=C([O-])CC(c1ccccc1)C(NC(=O)NCC1CCS(=O)(=O)C1)C(=O)[O-]
SubComponent,Please substitute a Cc1n[nH]c(C)c1CCNC(=O)C1CCC(=O)N(Cc2ccccc2F)C1 in the molecule halo with a aldehyde.,CC(=O)c1ccccc1CN1CC(C(=O)NCCc2c(C)n[nH]c2C)CCC1=O
DelComponent,Modify the molecule O=C(c1ccc(Br)cc1)c1ccc(OCC2CC2C[NH2+]CC2CC2)cc1 by removing a halo.,O=C(c1ccccc1)c1ccc(OCC2CC2C[NH2+]CC2CC2)cc1
LogP,Modify the molecule [NH3+]CC1OC(n2cnc3c(=O)nc(NC(=O)Cc4ccccc4)[nH]c32)CC1O to have a higher LogP value.,[NH3+]CC1OC(n2cnc3c(=O)nc(-c4ccccc4)[nH]c32)CC1O
MR,Modify the molecule Cc1cccc(Cn2nc(C)c(NC(=O)C3CCCCC3)c2C)c1 to increase its MR value.,Cc1cccc(Cn2nc(C)c(NC(=O)C3(C(=O)O)CCCCC3)c2C)c1
QED,Modify the molecule Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[O-])cc2)c(O)c1 to increase its QED value.,Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[O-])cc2)c(C(=O)[OH])c1
AtomNum,"The molecule is composed of 16 carbon atoms, and 4 oxygen atoms.",CCOC(=O)C(C)(C)c1ccc(C(=O)CCC=O)cc1
BondNum,"The molecule is composed of 18 single bonds, 1 double bond, and 6 rotatable bonds.",C[NH2+]C1CCC([NH+](C)C(C)C(=O)NCC(C)C)CC1
FunctionalGroup,Please generate a molecule with and 1 halo group.,CCC1CCC([NH3+])(CCF)C1
AddComponent,Please add a hydroxyl to the molecule O=C(COC(=O)C(NC(=O)c1ccco1)c1ccccc1)Nc1cccc(C(=O)NC2CC2)c1.,O=C(COC(=O)C(NC(=O)c1ccco1)c1cccc(O)c1)Nc1cccc(C(=O)NC2CC2)c1
SubComponent,Please substitute a halo in the molecule Cc1cnc(Oc2ccc(C(F)(F)F)cc2N)c(Br)c1 with a nitrile.,Cc1cnc(Oc2ccc(C(F)(F)C#N)cc2N)c(Br)c1
DelComponent,Modify the molecule BrC1=CCC[NH+](C2CCC2)C1 by removing a halo.,C1=CC[NH+](C2CCC2)CC1
LogP,Modify the molecule Cc1onc([N-]S(=O)(=O)c2ccccc2)c1I to have a lower LogP value.,Cc1onc([N-]S(=O)(=O)c2ccccc2)c1C#N
MR,Modify the molecule CCC[NH2+]Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 to increase its MR value.,O=S(=O)(Nc1ccc(C[NH2+]CCCc2ccccc2)cc1)c1ccc(Br)s1
QED,Modify the molecule COc1nc(N)nc(OCc2ccccc2)c1O to decrease its QED value.,COc1nc(N)nc(OCc2ccccc2)c1S
AtomNum,"The molecule is composed of 10 carbon atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cc1ncsc1CN(C)c1nccc(N)n1
BondNum,"Please generate a molecule composed of 27 single bonds, 5 double bonds, 1 triple bond, and 13 rotatable bonds.",CCCCC(C)(C)C(C#CC1=C(CCCCCCC(=O)[O-])C(=O)CC1OC(C)=O)OC(C)=O
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ester group, and 2 amine groups.",CCOC(=O)C1=C2C=CC(c3ccccc3)(c3ccccc3)CC2NN1
AddComponent,Add a hydroxyl to the molecule Cc1csc(C(=O)c2cn(C)nn2)c1.,Cc1csc(C(=O)c2nnn(C)c2O)c1
SubComponent,Substitute a CC1CN(C(=O)Nc2ccccc2OCC(F)(F)F)CC(C2CC2)O1 in the molecule halo with a hydroxyl.,CC1CN(C(=O)Nc2ccccc2OCC(O)(F)F)CC(C2CC2)O1
DelComponent,Remove a halo from the molecule COc1ccc(CNC(=O)C2=NOC(Cc3noc(-c4ccc(F)cc4)n3)C2)cc1.,COc1ccc(CNC(=O)C2=NOC(Cc3noc(-c4ccccc4)n3)C2)cc1
LogP,Optimize the molecule O=C1c2ccccc2-c2cc(=O)oc(C3CC3)c21 to have a lower LogP value.,O=C1c2cc(O)ccc2-c2cc(=O)oc(C3CC3)c21
MR,Modify the molecule CCOC(=O)Cc1c(Cl)n(Cc2cccc(OC(F)(F)F)c2)c2cc(Cl)ccc12 to have a higher MR value.,CCOC(=O)Cc1c(C(=O)[OH])n(Cc2cccc(OC(F)(F)F)c2)c2cc(Cl)ccc12
QED,Please optimize the molecule COc1ccc(CN2Cc3cc(Cl)ccc3N3CC(=O)[NH+]=C23)cc1 to have a lower QED value.,COc1ccc(CN2Cc3cc(Cl)ccc3N3CC(=O)[NH+]=C23)cc1O
AtomNum,"The molecule has 18 carbon atoms, 4 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 2 chlorine atoms.",Cc1cc(NC(=S)Nc2cc(Cl)ccc2Cl)nn1Cc1ccccc1F
BondNum,"The molecule is composed of 10 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)CC(=O)CCC(=O)c1ccc(C)cc1
FunctionalGroup,"The molecule has 1 amide group, 1 amine group, 1 halo group, 2 sulfide groups, and 1 sulfone group.",CN1C(=O)Cc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)s4)cs3)ccc21
AddComponent,Add a benzene ring to the molecule C=CC(=O)OCCSC(SCCOC(=O)C=C)c1ccc(SC)cc1.,C=CC(=O)OCCSC(SCCOC(=O)C=C)c1ccc(SCc2ccccc2)cc1
SubComponent,Substitute a hydroxyl in the molecule COc1ccc2c(c1)oc1c3ccc(O)c(OC)c3oc(=O)c21 with a thiol.,COc1ccc2c(c1)oc1c3ccc(S)c(OC)c3oc(=O)c21
DelComponent,Modify the molecule amide by removing a O=C(NCC1CCCO1)C(=O)Nc1ccccc1N1CCOCC1.,ON(CC1CCCO1)c1ccccc1N1CCOCC1
LogP,Optimize the molecule COc1ccc(C(OCC2OC(n3cnc4c(=O)nc(NC(=O)C(C)C)[nH]c43)C(OCO[Si](C(C)C)(C(C)C)C(C)C)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 to have a lower LogP value.,CCc1nc(=O)c2ncn(C3OC(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)C(OP(OCCC#N)N(C(C)C)C(C)C)C3OCO[Si](C(C)C)(C(C)C)C(C)C)c2[nH]1
MR,Modify the molecule C=CC=CCC1(CC=CC(=O)N2C(=O)OCC2C2CCCCC2)SCCCS1 to have a higher MR value.,C=CC=CCC1(CC=CC(=O)N2C(=O)OCC2C2CCCCC2)SCCC(O)S1
QED,Please modify the molecule Cc1ncc(CC2(C#N)CCCCCCC2)s1 to decrease its QED value.,Cc1ncc(CC2CCCCCCC2)s1
AtomNum,"The molecule contains 12 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",NC(=O)OC(=O)c1cc(-c2ccc(F)cc2)sc1N
BondNum,"The molecule has 10 single bonds, 2 double bonds, 1 triple bond, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(Cl)cc1NC=C(C#N)C(=O)Nc1cc(Cl)ccc1Cl
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 2 halo groups.",CC1CC(O)(Cc2cc(Cl)ccc2Cl)C1
AddComponent,Please add a carboxyl to the molecule COc1cc(C)ccc1OCC[NH+]1CCC(C#N)CC1.,Cc1ccc(OCC[NH+]2CCC(C#N)CC2)c(OCC(=O)O)c1
SubComponent,Please substitute a halo in the molecule BrC=Cc1cccc(OCc2ccccc2)c1 with a nitro.,ONC=Cc1cccc(OCc2ccccc2)c1
DelComponent,Modify the molecule CC(F)(F)Oc1cccc(-n2cc(-c3ccc(C(=O)[O-])cc3)cn2)c1 by removing a benzene ring.,CC(F)(F)On1cc(-c2ccc(C(=O)[O-])cc2)cn1
LogP,Optimize the molecule CSCc1cccc(CC(O)C=CC2C(O)CC(=O)C2SCCCSCC(=O)[O-])c1 to have a higher LogP value.,CSCc1cccc(CCC=CC2C(O)CC(=O)C2SCCCSCC(=O)[O-])c1
MR,Modify the molecule CCC([NH3+])C(C)(O)c1ccc(F)c(C)c1 to have a lower MR value.,CCC([NH3+])C(C)c1ccc(F)c(C)c1
QED,Modify the molecule CCC(C)C1[NH2+]CN(C(C)C2CCOCC2)C1=O to increase its QED value.,CCC(Cc1ccccc1)C1[NH2+]CN(C(C)C2CCOCC2)C1=O
AtomNum,"There is a molecule composed of 14 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1ccc(C(N)=[NH+]O)c(N2CC(C)OC(CO)C2)c1
BondNum,"Please generate a molecule composed of 14 single bonds, 1 double bond, 10 rotatable bonds, and 6 aromatic bonds.",CC(C)COCCCNC(=O)NCCSc1ccccc1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 amine groups, and 1 sulfone group.",CCOCCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
AddComponent,Modify the molecule CC[NH2+]C1CCC(C(C)C)CC1Sc1cc(C)cc(C)n1 by adding a nitrile.,CC[NH2+]C1(C#N)CCC(C(C)C)CC1Sc1cc(C)cc(C)n1
SubComponent,Please substitute a hydroxyl in the molecule COc1ccccc1C[NH+]1CC2C(C)(O)CC(O)C2(O)C1 with a carboxyl.,COc1ccccc1C[NH+]1CC2C(C)(C(=O)[OH])CC(O)C2(O)C1
DelComponent,Remove a benzene ring from the molecule COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCC[NH2+]C1CC1.,COc1cc(-n2cnc3cc(Cl)sc3c2=O)ccc1OCCC[NH2+]C1CC1
LogP,Please optimize the molecule C=C(Cl)C(=O)NCC1(C)CC[NH+](C)CC1 to have a lower LogP value.,C=C(NO)C(=O)NCC1(C)CC[NH+](C)CC1
MR,Please modify the molecule CC[NH+](CC)CC(=O)NNC(=O)c1cc2c(nc1Nc1ccc(C)cc1)CCCC2 to decrease its MR value.,CC[NH+](CC)CC(=O)NNC(=O)c1cc2c(nc1NC)CCCC2
QED,Please modify the molecule CC(C)NNC(=O)C(CCC1CCCC1)N(C=O)OCc1ccccc1 to increase its QED value.,CON(C=O)C(CCC1CCCC1)C(=O)NNC(C)C
AtomNum,"Please generate a molecule with 27 carbon atoms, 5 oxygen atoms, and 1 silicon atom.",C#CCC12C(=C)CC(C(=O)OCC)(C(=O)OCC)C1CC=C2O[Si](C(C)C)(C(C)C)C(C)C
BondNum,"The molecule contains 12 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",ClCc1cncn1CCC[NH+]1CCOCC1
FunctionalGroup,The molecule consists of and 1 amide group.,CCc1[nH]nc(NC(=O)C2CCC3CCCCC3C2)c1C
AddComponent,Please add a nitrile to the molecule Cc1cc(CNC(=O)Cn2c(C)cc(S(=O)(=O)CC3CCC3)c(N)c2=O)c(C)nc1C.,Cc1cc(CNC(=O)Cn2c(C)cc(S(=O)(=O)CC3(C#N)CCC3)c(N)c2=O)c(C)nc1C
SubComponent,Substitute a FC(F)CNc1cc[nH+]c(Cl)c1 in the molecule halo with a nitrile.,N#CC(F)CNc1cc[nH+]c(Cl)c1
DelComponent,Please remove a C=CC[NH+](CCCC(=O)OCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 from the molecule amide.,C=CC[NH+](CCCC(=O)OCC)C(CCc1ccccc1)c1ccc(C)o1
LogP,Please optimize the molecule Cc1nccn1-c1ncccc1NC1CCCCC1(C)C to have a lower LogP value.,Cc1nccn1-c1ncccc1NC1CCCCC1(C)CO
MR,Modify the molecule CCCCc1cccc(-c2ccccc2Cl)c1 to have a lower MR value.,CCCCc1cccc(-c2ccccc2O)c1
QED,Please optimize the molecule CC(CS(C)=O)N1CCC(=O)NC(C(C)(C)C)C1=O to have a lower QED value.,CC(CS(C)=O)N1CC(C(C)(C)C)C1=O
AtomNum,"There is a molecule with 25 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(NCCCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccco1
BondNum,"There is a molecule consisting of 10 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(F)cc3)s2)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 amine group, 1 nitrile group, and 1 sulfide group.",COc1cc(-c2csc3c(C=CC[NH+]4CCN(CCC#N)CC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
AddComponent,Please add a benzene ring to the molecule O=C(CCc1ccc(F)cc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.,O=C(CCc1ccc(F)cc1-c1ccccc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
SubComponent,Modify the molecule halo by substituting a C[NH2+]C(c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Br with a nitro.,C[NH2+]C(c1ccc2c(c1)OCCO2)c1ccc(NO)cc1Br
DelComponent,Modify the molecule amide by removing a Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)[NH+]3CCC(C(=O)NC(C(=O)Nc4ccc(F)c(F)c4F)C(C)C)CC3)c2C)cc1F.,Cc1ccc(-c2(C)c(NC(=O)C(C)[NH+]3CCC(C(=O)NC(C(=O)Nc4ccc(F)c(F)c4F)C(C)C)CC3)ccc-2)cc1F
LogP,Modify the molecule COc1cc(C=CC(=O)N2CCOc3ccccc32)ccc1OC1CC[NH+](C)C1 to decrease its LogP value.,COC(=CC(=O)N1CCOc2ccccc21)OC1CC[NH+](C)C1
MR,Modify the molecule CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 to decrease its MR value.,CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)N[N+](=O)[O-])cc1
QED,Modify the molecule O=c1c(Cl)c(N2CC[NH+](Cc3cc(=O)n4ccsc4n3)CC2)cnn1-c1ccccc1 to have a lower QED value.,O=c1c(Cl)c(N2CC[NH+](Cc3cc(=O)n4ccsc4n3)CC2)cnn1-c1ccccc1-c1ccccc1
AtomNum,"The molecule contains 21 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CC(C)c1cc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)on1
BondNum,"The molecule consists of 7 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",O=C(C=C(O)c1ccoc1Cc1ccc(F)cc1)c1nn[n-]n1
FunctionalGroup,The molecule contains and 1 ketone group.,CC(=O)c1ccc(NC(=O)N2CCC(C)(C(=O)[O-])C2)nc1
AddComponent,Add a benzene ring to the molecule Cn1c(=O)c2c(ncn2CCCNC(=O)c2ccc(Cl)nc2)n(C)c1=O.,Cn1c(=O)c2c(ncn2CC(CNC(=O)c2ccc(Cl)nc2)c2ccccc2)n(C)c1=O
SubComponent,Modify the molecule halo by substituting a CCSc1ccc(-c2nc(=O)c(Br)c(C(C)C)[nH]2)cc1 with a carboxyl.,CCSc1ccc(-c2nc(=O)c(C(=O)[OH])c(C(C)C)[nH]2)cc1
DelComponent,Please remove a amide from the molecule CN(C)c1ccc(NC(=O)CCSc2nnc(-c3ccccc3)n2C)cc1.,CN(C)c1ccc(CSc2nnc(-c3ccccc3)n2C)cc1
LogP,Modify the molecule CCCCC(C(=O)[O-])C1CCC(C)C(CCC(CCc2ccccc2)=NN(C)C)C1=C[Si](C)(C)C to have a lower LogP value.,CCCCC(C(=O)[O-])C1CCC(C)C(CCC(CC)=NN(C)C)C1=C[Si](C)(C)C
MR,Modify the molecule C=CCC(CF)C(F)(F)F to increase its MR value.,C=CCC(CNO)C(F)(F)F
QED,Optimize the molecule CCOC(=O)C=c1sc(=Cc2ccc(C#N)cc2)c(=O)n1Cc1ccccc1 to have a higher QED value.,CCOC(=O)C=c1sc(=Cc2ccc(C(=O)[OH])cc2)c(=O)n1Cc1ccccc1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, and 4 nitrogen atoms.",CCC(C)Nc1ccnc(N2CCCCC2)n1
BondNum,"There is a molecule composed of 5 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",CC(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1
FunctionalGroup,Please generate a molecule consisting and 2 halo groups.,ClCc1nc2cc(Cl)ccc2n1Cc1ncon1
AddComponent,Please add a aldehyde to the molecule CC[NH+](CC1(CS)CCCCCC1)C1CC1.,CC[NH+](CC1(CS)CCCCCC1CC=O)C1CC1
SubComponent,Substitute a hydroxyl in the molecule CC(O)(CCS(C)(=O)=O)C1CC1 with a aldehyde.,CC(=O)C(C)(CCS(C)(=O)=O)C1CC1
DelComponent,Modify the molecule amine by removing a COc1cc(OC(C)(C)C(=O)[O-])c(C=CC(=O)c2ccc(S(N)(=O)=O)cc2)cc1-c1cccs1.,COc1cc(OC(C)(C)C(=O)[O-])c(C=CC(=O)c2ccc([SH](=O)=O)cc2)cc1-c1cccs1
LogP,Optimize the molecule COc1ccc(S(=O)(=O)N(Cc2ccoc2)C2CCCCC2)cn1 to have a higher LogP value.,COc1ccc(S(=O)(=O)N(Cc2cocc2-c2ccccc2)C2CCCCC2)cn1
MR,Modify the molecule CCc1ccc(C(Cl)Cc2cccc(OC)c2)cc1CC to have a lower MR value.,CCC(C)C(Cl)Cc1cccc(OC)c1
QED,Modify the molecule O=c1c(SCc2ccccc2F)nccn1-c1ccc(F)c(F)c1 to increase its QED value.,O=c1c(SCc2c(O)cccc2F)nccn1-c1ccc(F)c(F)c1
AtomNum,"Please generate a molecule with 18 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 2 fluorine atoms.",O=C(NCc1ccc(C(O)c2ccsc2)s1)C(=O)Nc1ccc(F)cc1F
BondNum,"Please generate a molecule with 17 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",CN1CC[NH+](C2CCN(c3ccc(N)cc3-c3cccnc3)CC2)CC1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 1 ketone group.",CC(C)COc1ccccc1C(=O)c1ccc(C=CC(=O)[O-])cc1
AddComponent,Add a hydroxyl to the molecule C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c(CN=NC4c5ccccc5-c5ccccc54)c3)CC2)cc1.,C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5O)CC4)c(CN=NC4c5ccccc5-c5ccccc54)c3)CC2)cc1
SubComponent,Please substitute a Cc1nn(C)c2[nH+]cc(C(=O)NC(=O)Nc3ccc(C(=O)N4CCOCC4)c(Cl)c3)c(N3CC[NH+](C)CC3)c12 in the molecule halo with a carboxyl.,Cc1nn(C)c2[nH+]cc(C(=O)NC(=O)Nc3ccc(C(=O)N4CCOCC4)c(C(=O)[OH])c3)c(N3CC[NH+](C)CC3)c12
DelComponent,Please remove a CC(C)C1=C(C(O)CCC(=Cc2ccc(O)cc2)c2ccccn2)C(CO)C2C(=O)N(c3cccc(B(O)O)c3)C(=O)C2C1 from the molecule amide.,CC(C)C1=C(C(O)CCC(=Cc2ccc(O)cc2)c2ccccn2)C2(CO)C(=O)C2(c2cccc(B(O)O)c2)C1
LogP,Please modify the molecule O=C([O-])CC[NH+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C(=O)[O-])c(C(=O)[O-])c1 to decrease its LogP value.,N#CC(F)(F)c1cccc(C[NH+](CCC(=O)[O-])Cc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1
MR,Optimize the molecule O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2s1 to have a lower MR value.,O=C(COC(=O)CCS(=O)(=O)c1ccccc1)Nc1nc2ccccc2s1
QED,Please modify the molecule CC(C)(C)c1ccc(I)c(C2(c3ccccc3)OCCO2)c1 to increase its QED value.,CC(C)(C)c1ccc(S)c(C2(c3ccccc3)OCCO2)c1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",CCNc1ccc(C(=O)NCc2ccccc2F)cn1
BondNum,"There is a molecule composed of 15 single bonds, 3 double bonds, 1 triple bond, 7 rotatable bonds, and 6 aromatic bonds.",N#CC1(NC(=O)COC(=O)COc2ccc(C=O)cc2)CCCC1
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 hydroxyl groups, 2 amide groups, and 2 sulfone groups.",O=C(Nc1cccc(C(=O)Nc2cccc3cc(S(=O)(=O)[O-])cc(O)c23)c1)Nc1cccc(C(=O)Nc2cccc3cc(S(=O)(=O)[O-])cc(O)c23)c1
AddComponent,Modify the molecule CC1CN(C(=O)CCc2ccsc2)CC(C(=O)[O-])O1 by adding a amine.,NCC1CN(C(=O)CCc2ccsc2)CC(C(=O)[O-])O1
SubComponent,Modify the molecule halo by substituting a Fc1ccccc1N1CC2=CN(Cc3ccc(-n4cccn4)cc3)c3cnccc3C2=N1 with a nitrile.,N#Cc1ccccc1N1CC2=CN(Cc3ccc(-n4cccn4)cc3)c3cnccc3C2=N1
DelComponent,Modify the molecule hydroxyl by removing a CC1=C(C)C(=O)OC(C2(C)OC(=O)C34CCC5C(CC6OC67C(O)C=CC(=O)C57C)C3CCC24)C1.,CC1=C(C)C(=O)OC(C2(C)OC(=O)C34CCC5C(CC6OC67CC=CC(=O)C57C)C3CCC24)C1
LogP,Modify the molecule CC(C)[NH2+]Cc1ccc(Br)cc1Br to have a lower LogP value.,CC(C)[NH2+]Cc1ccc(NO)cc1Br
MR,Modify the molecule CCOc1cccc(N(CC)CC(C)C(N)=[NH+]O)n1 to increase its MR value.,CCOc1cccc(N(CC)CC(C)C(N)=[NH+]NO)n1
QED,Please modify the molecule N#CC(=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 to decrease its QED value.,N#CC(=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1-c1ccccc1
AtomNum,"The molecule contains 16 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",O=C(Nc1nc2c(s1)CCC2)c1ccc2c(c1)C[NH2+]CC2
BondNum,"There is a molecule with 10 single bonds, 7 rotatable bonds, and 22 aromatic bonds.",CCc1ccc(-c2noc(CSc3nnc(-c4ccccc4OC)n3N)n2)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 2 halo groups.",COc1c(Cl)ccc(Cl)c1[C+]=O
AddComponent,Please add a hydroxyl to the molecule COc1cc(OC)c(S(=O)(=O)N(C)CC(O)CO)cc1-c1ccnn1-c1ccccc1Cl.,COc1cc(OC)c(S(=O)(=O)N(C)CC(O)CO)cc1-c1cc(O)nn1-c1ccccc1Cl
SubComponent,Substitute a hydroxyl in the molecule CCC(CC[NH3+])CCC(=O)N(CCO)CCOC with a halo.,CCC(CC[NH3+])CCC(=O)N(CCI)CCOC
DelComponent,Remove a CCOCCn1c(=NC(=O)CCS(=O)(=O)Cc2ccccc2)sc2cc(F)ccc21 from the molecule benzene ring.,CCOCCn1c(=NC(=O)CCS(C)(=O)=O)sc2cc(F)ccc21
LogP,Please modify the molecule CC(OC(=O)c1c(-n2cccc2)sc2c1CCCC2)c1nnc(-c2ccccc2)o1 to decrease its LogP value.,CC(OC(=O)c1c(-n2cccc2)sc2c1CCCC2)c1nnco1
MR,Please optimize the molecule CCc1cc(I)ccc1NC(=O)c1cc(Cl)ccc1Cl to have a higher MR value.,CCc1cc(I)ccc1NC(=O)c1cc(Cl)cc(O)c1Cl
QED,Modify the molecule CC(C)c1c(C(=O)NC2CCCCC2)nn(-c2ccc(F)cc2)c1CCC(O)CC(O)CC(=O)[O-] to have a higher QED value.,CC(C)c1c(C(=O)NC2CCCCC2)nn(-c2ccccc2)c1CCC(O)CC(O)CC(=O)[O-]
AtomNum,"The molecule is composed of 30 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCC(C)CCC1([NH3+])CCC2(C)C(CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C1C
BondNum,"The molecule contains 5 single bonds, 2 double bonds, 1 rotatable bond, and 5 aromatic bonds.",NC[NH+]1C=c2cnsc2=CC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, 1 thioether group, and 1 sulfide group.",C[NH+](C)CCC(Sc1cc(N)nc2n[nH]nc12)c1ccccc1
AddComponent,Add a benzene ring to the molecule CC(C)n1c(CBr)nnc1CC1CCCCO1.,CC(C)n1c(CBr)nnc1CC1(c2ccccc2)CCCCO1
SubComponent,Substitute a hydroxyl in the molecule COC(C)c1nc(C)c(C(=O)NCC(O)C(C)(C)C)s1 with a nitro.,COC(C)c1nc(C)c(C(=O)NCC(NO)C(C)(C)C)s1
DelComponent,Modify the molecule halo by removing a N#Cc1cc(F)ccc1NC(=O)c1ccc(I)c(Cl)c1.,N#Cc1cc(F)ccc1NC(=O)c1ccc(I)cc1
LogP,Please modify the molecule O=C(COc1ccc(C2SCCCS2)cc1)Nc1c[nH]ccc1=O to decrease its LogP value.,O=C(COC1SCCCS1)Nc1c[nH]ccc1=O
MR,Please optimize the molecule CN(Cc1ccc(Cl)s1)c1nccc(C#N)c1Cl to have a higher MR value.,CN(Cc1ccc(S)s1)c1nccc(C#N)c1Cl
QED,Modify the molecule Cc1cccc(O[Si](Oc2cccc(C)c2)(Oc2cccc(C)c2)Oc2cccc(C)c2)c1 to have a higher QED value.,CO[Si](Oc1cccc(C)c1)(Oc1cccc(C)c1)Oc1cccc(C)c1
AtomNum,"There is a molecule consisting of 23 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, 2 sulfur atoms, and 1 fluorine atom.",Cc1ccc(-n2c(SCC3NS(=O)(=O)N=C4CCCCCN43)nnc2-c2ccccc2F)cc1
BondNum,"The molecule has 13 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 21 aromatic bonds.",Cc1noc(C#Cc2cc3ccc(C4CC4)cc3[nH]2)c1NC(=O)OC(C)c1ccccc1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 3 halo groups, and 1 nitrile group.",Cn1cnc2c(=O)n(-c3ccc(C#N)cc3)c(Cc3c(F)cc(F)cc3F)nc21
AddComponent,Modify the molecule CCOC(=O)c1ccc(Oc2coc3c(C[NH+]4CCN(c5ccc(OC)cc5)CC4)c(=O)ccc-3c2O)cc1 by adding a amine.,COc1ccc(N2CC[NH+](Cc3c4occ(Oc5ccc(C(=O)OC(C)N)cc5)c(O)c-4ccc3=O)CC2)cc1
SubComponent,Please substitute a halo in the molecule Cc1nnsc1C(=O)NCCCCCI with a nitrile.,Cc1nnsc1C(=O)NCCCCCC#N
DelComponent,Please remove a amine from the molecule Cc1ccc(Nc2cccc(N(C)C)c2)cc1NC(=O)c1ccc2ncccc2c1.,Cc1ccc(-c2cccc(N(C)C)c2)cc1NC(=O)c1ccc2ncccc2c1
LogP,Please modify the molecule COCCNc1ccc(C(=O)N2CC[NH+](C3C=CC(C)=CN3)CC2)c(F)c1 to decrease its LogP value.,COCCNc1ccc(C(=O)N2CC[NH+](C3C=CC(C)=CN3)CC2)c(NO)c1
MR,Please modify the molecule Cc1cc(C)c(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1C to decrease its MR value.,Cc1cc(C)c(S(=O)(=O)CC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1C
QED,Modify the molecule CC([NH3+])C(=O)N1N=CCC1C#N to decrease its QED value.,CC([NH3+])(C(=O)O)C(=O)N1N=CCC1C#N
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CC(C)(C)C(=O)C=C1SCC(=O)N1Cc1cc(-c2cccs2)on1
BondNum,"The molecule consists of 10 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",c1ccc(COc2ccccc2N2CC[NH2+]CC2)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amide groups.",NC(=O)C1CCN(C(=O)C2CCC[NH+](Cc3ccccc3)C2)CC1
AddComponent,Add a nitrile to the molecule CC(C)c1ccc(C(C)C)c(NN2CCOCC2)c1.,CC(C)c1ccc(C(C)C)c(NN2CCOCC2C#N)c1
SubComponent,Modify the molecule halo by substituting a C=CCSc1oc(CF)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 with a hydroxyl.,C=CCSc1oc(CO)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
DelComponent,Remove a halo from the molecule CC[NH+]1CCOC(CNC(=O)OCC(F)(F)F)C1.,CC[NH+]1CCOC(CNC(=O)OCC(F)F)C1
LogP,Optimize the molecule COc1cc(Br)c(C=C2SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1OC to have a lower LogP value.,COc1ccc(C=C2SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1OC
MR,Please modify the molecule COC(=O)c1ncn(CC(=O)NC2CCOCC2)n1 to decrease its MR value.,COC(=O)c1ncn(C2CCOCC2)n1
QED,Please optimize the molecule Cc1ccc(NNC(Cl)C(=O)[O-])cc1 to have a lower QED value.,Cc1ccc(NNC(O)C(=O)[O-])cc1
AtomNum,"The molecule consists of 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",CCCCCCC(=O)n1nc(OC)nc1-c1ccccc1F
BondNum,"The molecule contains 7 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CC(C)c1ccc(Cc2cccc(C(=O)[O-])c2)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 halo groups.",COCc1cc(Cl)c(F)c(C(C)C)c1
AddComponent,Add a hydroxyl to the molecule Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1.,Cc1nc(-c2ccc(C(F)(F)F)c(O)c2)sc1C(=O)CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1
SubComponent,Substitute a halo in the molecule CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(=C=CBr)C2SC1 with a hydroxyl.,CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(=C=CO)C2SC1
DelComponent,Remove a amide from the molecule Cc1oc(C)c(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1C.,Cc1c(C)oc-1(C)CCc1coc(-c2ccc(F)cc2)n1
LogP,Optimize the molecule CCOc1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1OCC to have a lower LogP value.,CCOc1ccc(C(=O)OCC(=O)N2CCC=N2)cc1OCC
MR,Modify the molecule Nc1c(CO)cc(C(F)(F)F)c2ccsc12 to have a lower MR value.,Nc1c(CF)cc(C(F)(F)F)c2ccsc12
QED,Modify the molecule [NH3+]CCN1CCC(O)(c2cccc(Cl)c2)CC1 to decrease its QED value.,[NH3+]CCN1CCC(O)(c2ccccc2)CC1
AtomNum,"The molecule consists of 21 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",C[NH+]=C(NCCCOc1ccccc1)NCCOc1cccc(NC(C)=O)c1
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 6 rotatable bonds, and 21 aromatic bonds.",CNc1cc(Nc2cccn(-c3cnn(C)c3F)c2=O)nc2c(C(=O)NC3CC3F)cnn12
FunctionalGroup,The molecule consists of and 2 halo groups.,CCc1occc1C(Cl)c1cc(Br)cc2c1OCC2
AddComponent,Add a carboxyl to the molecule C=CC(=O)c1ccc(C(=O)OC)cc1.,C=CC(=O)c1ccc(C(=O)OCC(=O)O)cc1
SubComponent,Substitute a C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1C(NC(=O)c1cccc(C)c1)C(C)C in the molecule halo with a hydroxyl.,C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2O)nnc1C(NC(=O)c1cccc(C)c1)C(C)C
DelComponent,Remove a O=S(=O)(N1CCc2ccccc2C1)N1CCCC1CO from the molecule hydroxyl.,CC1CCCN1S(=O)(=O)N1CCc2ccccc2C1
LogP,Please modify the molecule CCOC(=O)Cc1csc(NC(=O)C(C)Sc2cccc(NC(=O)Cc3ccccc3)c2)n1 to increase its LogP value.,CCOC(=O)Cc1csc(NC(=O)C(C)Sc2cccc(-c3ccccc3)c2)n1
MR,Modify the molecule Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1 to have a lower MR value.,CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1
QED,Modify the molecule CNc1cc([N+](=O)[O-])cc(Nc2cccc(Cl)c2C)n1 to have a lower QED value.,CNc1cc([N+](=O)[O-])cc(N(C)Cl)n1
AtomNum,"Please generate a molecule composed of 40 carbon atoms, 6 oxygen atoms, and 5 nitrogen atoms.",COC(=O)NC(C(=O)NN(CCC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)Cc1ccc(-c2ccccn2)cc1)C(C)(C)C
BondNum,"The molecule contains 4 single bonds, 1 double bond, 1 rotatable bond, and 5 aromatic bonds.",Cc1oc(Cl)cc1C(N)=O
FunctionalGroup,There is a molecule with and 2 amide groups.,CC(C)(C)c1ccc2cc(C(=O)N3CCCC4C(=O)NCC43)[nH]c2c1
AddComponent,Modify the molecule Cc1ccc(CN(C)C2(C[NH3+])CC(C)(C)CC2C)o1 by adding a hydroxyl.,Cc1ccc(CN(C)C2(C[NH3+])CC(C)(C)C(O)C2C)o1
SubComponent,Modify the molecule nitrile by substituting a CSc1ccc(CBr)c2sc(C#N)cc12 with a halo.,CSc1ccc(CBr)c2sc(Br)cc12
DelComponent,Please remove a hydroxyl from the molecule CC[NH2+]C(C)(CO)CCCOCCOCC(C)C.,CC[NH2+]C(C)(C)CCCOCCOCC(C)C
LogP,Modify the molecule COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccc(-n4ccnc4)cc3)cc2)Cc2cccnc2)cc1 to have a lower LogP value.,COc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2ccc(C(=O)NN=C(C)c3ccc(-n4ccnc4)cc3)c(O)c2)cc1
MR,Modify the molecule CS(=O)(=O)c1cccc(Cl)c1S(C)(=O)=O to have a higher MR value.,CS(=O)(=O)c1cccc(S)c1S(C)(=O)=O
QED,Modify the molecule O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N(C1CCCC1)C1CCCC1 to have a higher QED value.,O=C(C1CCN(S(=O)(=O)c2ccc(O)cc2)CC1)N(C1CCCC1)C1CCCC1
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",O=C([O-])C(Cc1cccc2ccccc12)[NH+]1CCOCC1
BondNum,"The molecule has 21 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCOC3CCCC32)c1
FunctionalGroup,The molecule is composed of and 1 sulfide group.,Cc1nc(C[NH2+]CC(C)N2CCCC2)sc1C
AddComponent,Add a benzene ring to the molecule NC(=[NH2+])c1ccc(C(NC(=O)OCc2ccccc2)P(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1.,NC(=[NH2+])c1ccc(C(NC(=O)OCc2ccccc2-c2ccccc2)P(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1
SubComponent,Modify the molecule CCCc1nc(NC)cc(N(C)CC(C)O)n1 by substituting a hydroxyl with a nitro.,CCCc1nc(NC)cc(N(C)CC(C)NO)n1
DelComponent,Modify the molecule O=C([O-])CC1C(=O)N(Cc2ccccc2Cl)CCN1C(=O)C1CCCC1 by removing a benzene ring.,O=C([O-])CC1C(=O)N(CCl)CCN1C(=O)C1CCCC1
LogP,Optimize the molecule Cc1[nH]nc2ncc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)cc12 to have a lower LogP value.,Cc1[nH]nc2ncc(NC(=O)c3cc(C#N)c4c(c3)OCCO4)cc12
MR,Optimize the molecule CC1CCC(NS(=O)(=O)c2ccc(CC[NH3+])s2)CC1C to have a lower MR value.,CC1CCC(S(=O)(=O)c2ccc(CC[NH3+])s2)CC1C
QED,Optimize the molecule CCCCc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C(=O)Oc4ccc(C)cc4N)cc3)C2=O)cc1 to have a lower QED value.,CC(=O)C1=C(Nc2ccc(C(=O)Oc3ccc(C)cc3N)cc2)C(=O)N(c2ccc(CCCC)cc2)C1=O
AtomNum,"The molecule consists of 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(NC(=O)c2c([O-])c3sccc3n(C)c2=O)cc1C
BondNum,"Please generate a molecule with 16 single bonds, 3 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",CC(C)(C)C1=C(C(=O)[O-])N2C(=O)C(C(O)c3cccs3)C2O1
FunctionalGroup,"Please generate a molecule with 1 ketone group, and 1 sulfone group.",CS(=O)(=O)CC(=O)CCCC1CCCO1
AddComponent,Please add a hydroxyl to the molecule Cc1cccc(CNc2cc(C(=O)Nc3cccc(C)c3C)ccn2)c1.,Cc1cccc(C(O)Nc2cc(C(=O)Nc3cccc(C)c3C)ccn2)c1
SubComponent,Substitute a halo in the molecule C[NH2+]Cc1cc(F)cc(Oc2cc(C)ccc2F)c1 with a aldehyde.,CC(=O)c1cc(C[NH2+]C)cc(Oc2cc(C)ccc2F)c1
DelComponent,Remove a CC=C(C=CCC(C)=O)Oc1ccccc1 from the molecule benzene ring.,CC=C(O)C=CCC(C)=O
LogP,Modify the molecule C=C(C)CC(=O)CCOc1ccccc1 to decrease its LogP value.,C=C(C)CC(=O)CCO
MR,Optimize the molecule COC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3NC(C)=O)C2O)C(OC2OC(C)C(O)C(O)C2O)C1O to have a higher MR value.,COC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3NC(C)=O)C2O)C(OC2OC(C)C(O)C(O)C2(O)O)C1O
QED,Optimize the molecule C=C(C=CF)Oc1cncnc1 to have a lower QED value.,C=CC(=C)Oc1cncnc1
AtomNum,"Please generate a molecule with 10 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",C=CC(=O)NCOCCCCCC
BondNum,"Please generate a molecule consisting 13 single bonds, 2 double bonds, 4 rotatable bonds, and 21 aromatic bonds.",Cc1nn(C)c2sc(C(=O)Nc3ccc(NC(=O)c4ccc(F)cc4)cc3C(F)(F)F)cc12
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 2 amide groups, 1 halo group, 2 thioether groups, and 1 sulfide group.",COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCc2cccnc2)C(=O)CSC3c2cccc(F)c2)cc1
AddComponent,Please add a nitrile to the molecule CCC(CC)(C(=O)[O-])[NH+](C)Cc1ccccn1.,CCC(CC)(C(=O)[O-])[NH+](C)Cc1ncccc1C#N
SubComponent,Modify the molecule CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)[NH+]=C(N)SC2(CO)C1C2(F)F by substituting a halo with a thiol.,CC1(c2cc(NC(=O)c3ccc(S)cn3)ccc2F)[NH+]=C(N)SC2(CO)C1C2(F)F
DelComponent,Remove a CC1(C)OCCn2c1nc(C(=O)NCc1cc(F)cc(C(F)(F)F)c1)c([O-])c2=O from the molecule amide.,CC1(C)OCCn2c1n-c([O-])(Cc1cc(F)cc(C(F)(F)F)c1)c2=O
LogP,Please optimize the molecule CC(C)(C)OC(=O)NC(CN(C(=O)[O-])c1ncc(Br)s1)C(c1ccc2c(c1)OCCO2)C(C)(C)C to have a lower LogP value.,CC(C)(C)OC(=O)NC(CN(C(=O)[O-])c1nccs1)C(c1ccc2c(c1)OCCO2)C(C)(C)C
MR,Modify the molecule CCc1[nH]c(-c2coc3ccccc23)nc(=S)c1Br to have a lower MR value.,CCc1cc(=S)nc(-c2coc3ccccc23)[nH]1
QED,Optimize the molecule O=S(=O)(Nc1cccc(I)c1)c1ccc(CO)o1 to have a higher QED value.,O=S(=O)(c1cccc(I)c1)c1ccc(CO)o1
AtomNum,"The molecule is composed of 22 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CC(C)(C(=O)[O-])c1ccc(NC(=O)CCN2C(=O)CCc3ccccc32)cc1
BondNum,"The molecule contains 12 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",ClC1CC(C[NH2+]CCCOc2ccccc2)C1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 1 halo group.",Cc1ccc(-n2ncc(C(=O)NCCc3ccc(Cl)cc3)c2-n2cccc2)cc1
AddComponent,Please add a carboxyl to the molecule CC(C)COc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC(C)c2ccccc2)c1.,CC(C)COc1cc(C(=O)NC(=S)Nc2ccccc2C(=O)NC(C)c2ccccc2)ccc1C(=O)O
SubComponent,Substitute a CC(C)(C)[Si](C)(C)OC(CNS(=O)(=O)c1ccc(F)cc1)CC(=O)[O-] in the molecule halo with a hydroxyl.,CC(C)(C)[Si](C)(C)OC(CNS(=O)(=O)c1ccc(O)cc1)CC(=O)[O-]
DelComponent,Remove a hydroxyl from the molecule CCCn1cc(C2(O)C=CCCC2)cn1.,CCCn1cc(C2C=CCCC2)cn1
LogP,Please modify the molecule CCCn1c(-c2ncccc2Br)nnc1S(=O)(=O)Cl to increase its LogP value.,CCCn1c(-c2nc(-c3ccccc3)ccc2Br)nnc1S(=O)(=O)Cl
MR,Modify the molecule COc1ccc(C(C)(C)C)cc1C(=O)CC#N to have a higher MR value.,COc1ccc(C(C)(C)C)cc1C(=O)CS
QED,Optimize the molecule COc1cc(N)ccc1C(=O)N1CCN(C(=O)c2ccc(Cl)cn2)CC1 to have a lower QED value.,COc1cc(N)ccc1C(=O)N1CCN(C(=O)c2ccc(O)cn2)CC1
AtomNum,"The molecule contains 7 carbon atoms, 1 chlorine atom, and 1 bromine atom.",CC1C=CC=C(Br)C1Cl
BondNum,"Please generate a molecule composed of 9 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CCCc1nnsc1C(=O)NCC(O)c1ccccc1
FunctionalGroup,Please generate a molecule with and 1 amide group.,CC1CCC(C(=O)N2CCc3c(cncc3C[NH+](C)C)C2)CC1
AddComponent,Add a amine to the molecule CCOC(=O)Oc1ccc(C(=O)N2CCCN(C(=O)CCCOc3ccccc3C)CC2)cc1.,Cc1ccccc1OCCCC(=O)N1CCCN(C(=O)c2ccc(OC(=O)OC(C)N)cc2)CC1
SubComponent,Please substitute a halo in the molecule COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(Cl)cc1Br with a aldehyde.,CC(=O)c1ccc(OCc2cc(-c3c(C#N)c(N)nc4c3CCCCCC4)ccc2OC)c(Br)c1
DelComponent,Modify the molecule benzene ring by removing a C[NH2+]Cc1cc(-c2ccccc2OC(C)C)oc1C(C)(C)C.,C[NH2+]Cc1cc(OC(C)C)oc1C(C)(C)C
LogP,Please optimize the molecule Cc1ccc2c(c1)NCCC2c1ccc(Cl)o1 to have a lower LogP value.,Cc1cc2c(cc1O)C(c1ccc(Cl)o1)CCN2
MR,Modify the molecule CCCC(C)NS(=O)(=O)c1sc(=O)[nH]c1C to have a lower MR value.,CCCC(C)S(=O)(=O)c1sc(=O)[nH]c1C
QED,Please modify the molecule Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CC1CC1)C(=O)Nc1cccc(Cl)c1 to increase its QED value.,Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CC1CC1)C(=O)Nc1cccc(C#N)c1
AtomNum,"There is a molecule consisting of 34 carbon atoms, 9 oxygen atoms, and 1 nitrogen atom.",C=CCOC(=O)CN(Cc1c(OC)cc(OCCCCC(=O)[O-])cc1OC)C(=O)OCC1c2ccccc2-c2ccccc21
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, 8 rotatable bonds, and 23 aromatic bonds.",COc1cc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc(OC)c1
FunctionalGroup,"The molecule consists of 1 ketone group, and 1 borane group.",C[NH+]1CC(=O)C2(C1)OB(c1ncco1)OC2=O
AddComponent,Please add a amine to the molecule Cc1ccc2nc(-c3ccc(Cl)cc3)nc(NCC[NH+](C)C)c2c1.,Cc1ccc2nc(-c3ccc(Cl)cc3)nc(NCC(N)[NH+](C)C)c2c1
SubComponent,Please substitute a halo in the molecule CC1(NC(=O)c2ccc(N)cc2Cl)CCOCC1 with a thiol.,CC1(NC(=O)c2ccc(N)cc2S)CCOCC1
DelComponent,Please remove a benzene ring from the molecule CC1CC[NH+](Cc2csc(-c3ccccc3)n2)C1CO.,CC1CC[NH+](Cc2cscn2)C1CO
LogP,Please modify the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(Cl)cc3C(=O)NC3CCCC3)C(C)C)CC2)cccc1C(=O)NC1CCCCC1C to decrease its LogP value.,Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(NO)cc3C(=O)NC3CCCC3)C(C)C)CC2)cccc1C(=O)NC1CCCCC1C
MR,Optimize the molecule O=c1c2cnc(Nc3ccc(N4CCOCC4)cc3)nc2n2ccnc2n1-c1ccccc1Cl to have a higher MR value.,O=CCc1ccc(-n2c(=O)c3cnc(Nc4ccc(N5CCOCC5)cc4)nc3n3ccnc23)c(Cl)c1
QED,Optimize the molecule C[NH+]1CCN(c2ccc(Nc3ncc(Cl)c(NCC4CCCO4)n3)cc2)CC1 to have a lower QED value.,C[NH+]1CCN(c2ccc(Nc3ncc(NO)c(NCC4CCCO4)n3)cc2)CC1
AtomNum,"Please generate a molecule with 12 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CCC(C)[NH+](C)CCn1c(=O)[nH]c(Cl)c(C)c1=O
BondNum,"There is a molecule composed of 13 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",CCn1nc(C)cc1C[NH+]1CCOCC1CO
FunctionalGroup,The molecule is composed of and 2 amide groups.,O=C1CCC(C(=O)NCc2ccc3c(c2)CCCO3)=NN1
AddComponent,Modify the molecule CCCCn1c([O-])c2n(c1=O)C(c1ccccc1OC)c1[nH]c3ccccc3c1C2 by adding a aldehyde.,CCCCn1c([O-])c2n(c1=O)C(c1ccccc1OC)c1[nH]c3c(CC=O)cccc3c1C2
SubComponent,Please substitute a nitrile in the molecule Cc1ccc(C(=O)Oc2ccc3c(c2)OC([NH3+])=C(C#N)C3c2ccc(C(C)C)cc2)cc1 with a hydroxyl.,Cc1ccc(C(=O)Oc2ccc3c(c2)OC([NH3+])=C(O)C3c2ccc(C(C)C)cc2)cc1
DelComponent,Please remove a halo from the molecule CNc1c(C)c(C(NOCCc2ccccc2)=[NH+]C)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl.,CNc1c(C)c(C(NOCCc2ccccc2)=[NH+]C)nn1-c1ccc(C(F)(F)F)cc1Cl
LogP,Modify the molecule Cc1cc2ccc(C3CCc4cc(C(F)(F)Oc5cc(F)c(F)c(F)c5)ccc4C3)c(Cl)c2c(F)c1F to decrease its LogP value.,Cc1cc2ccc(C3CCc4cc(C(F)(F)Oc5cc(F)cc(F)c5)ccc4C3)c(Cl)c2c(F)c1F
MR,Modify the molecule CC(=O)NCCN(CCCC(=O)[O-])c1ccccc1 to have a higher MR value.,CC(=O)NCCN(c1ccccc1)C(O)CCC(=O)[O-]
QED,Modify the molecule COCC(C)CNc1nc(C)ccc1[N+](=O)[O-] to increase its QED value.,COCC(C)CNc1nc(C)ccc1[SH]=O
AtomNum,"The molecule contains 11 carbon atoms, and 2 nitrogen atoms.",[NH3+]CC=CC[NH2+]C1CCCCCC1
BondNum,"The molecule contains 25 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC1(C)OC2C(O1)C1(C)CC(c3ccc(N)c(C4=CCCCC4)n3)CC2(C)O1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 3 halo groups.",CN(CCC(=O)[O-])C(=O)Nc1c(Br)cc(F)cc1Br
AddComponent,Modify the molecule CCC(CC)NC(=O)COC(=O)c1c[nH+]c(SC)n1-c1ccccc1 by adding a hydroxyl.,CCC(O)(CC)NC(=O)COC(=O)c1c[nH+]c(SC)n1-c1ccccc1
SubComponent,Please substitute a halo in the molecule CCc1c(Cl)cc(CN=C=O)cc1OC with a thiol.,CCc1c(S)cc(CN=C=O)cc1OC
DelComponent,Modify the molecule CCS(=O)CCNC(C)CC#N by removing a nitrile.,CCS(=O)CCNC(C)C
LogP,Modify the molecule CCCCNC(=O)NCC(OCC)OCC to have a lower LogP value.,CCCC(O)NC(=O)NCC(OCC)OCC
MR,Modify the molecule Cc1nc(N2CCN(C(=O)C(C)Oc3ccc(Cl)cc3)CC2)c2cnn(C)c2n1 to decrease its MR value.,Cc1nc(N2CCN(C(=O)C(C)OCl)CC2)c2cnn(C)c2n1
QED,Modify the molecule CC[NH+](CC)CCC=C(c1cccs1)c1cccs1 to have a lower QED value.,CC[NH+](CC)CCC=C(c1cccs1)c1cc(C(=O)O)cs1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CN(c1cccc(C(N)=[NH2+])c1)C1CCOCC1
BondNum,"Please generate a molecule composed of 4 single bonds, 1 double bond, 4 rotatable bonds, and 13 aromatic bonds.",O=c1cccc(CCCc2ccccc2)cc1
FunctionalGroup,"The molecule consists of 1 amine group, 1 halo group, and 1 sulfone group.",O=S(=O)(Nc1ccc2nccnc2c1Br)N1CCCCCC1
AddComponent,Add a hydroxyl to the molecule CC1CCCC(C2CC3CCCCC3C(N)[NH2+]2)N1.,CC1CCCC(C2CC3CCCC(O)C3C(N)[NH2+]2)N1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)(CCO)NS(=O)(=O)c1c[nH]ccc1=O with a nitrile.,CC(C)(CCC#N)NS(=O)(=O)c1c[nH]ccc1=O
DelComponent,Please remove a COc1ccccc1N1CCN(C(=O)CC2CC[NH2+]CC2Cc2cc(C[NH+](C)Cc3ccccc3)on2)CC1 from the molecule benzene ring.,CON1CCN(C(=O)CC2CC[NH2+]CC2Cc2cc(C[NH+](C)Cc3ccccc3)on2)CC1
LogP,Modify the molecule C=CCc1cc(C)cc(C[NH+](CC)CC)c1O to have a higher LogP value.,C=CCc1cc(C)cc(C[NH+](CC)CC)c1
MR,Modify the molecule O=C(NCc1c[nH]c2ccc(Cl)cc12)c1ccc(CCl)cc1 to increase its MR value.,Nc1cc(CCl)ccc1C(=O)NCc1c[nH]c2ccc(Cl)cc12
QED,Optimize the molecule CC(C)([NH3+])CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 to have a lower QED value.,CC(C)([NH3+])CNS(=O)(=O)Cc1cccc(Cl)c1
AtomNum,"The molecule has 26 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc(N2C(=O)CC(N(C(=O)COc3ccccc3)C3CCCCCC3)C2=O)cc1
BondNum,"The molecule has 19 single bonds, 2 double bonds, and 4 rotatable bonds.",CCC1(CC)NC(=O)CN(CC2CC[NH+](C)CC2)C1=O
FunctionalGroup,Please generate a molecule consisting and 1 halo group.,CCCC(C)CCC(Br)C(C)(C)C
AddComponent,Please add a amine to the molecule CCc1cc([N+](=O)[O-])c(C(C)CO)cc1Sc1ccccc1.,CCc1cc([N+](=O)[O-])c(C(C)C(N)O)cc1Sc1ccccc1
SubComponent,Please substitute a O=C(C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 in the molecule halo with a hydroxyl.,O=C(C[NH+]1CCN(S(=O)(=O)c2ccc(O)cc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1
DelComponent,Modify the molecule amine by removing a COc1cc(C)c(Cl)cc1NCC[NH2+]C(C)C.,COc1cc(C)c(Cl)cc1CC[NH2+]C(C)C
LogP,Modify the molecule [N-]=[N+]=NC1(CO)CC(n2ccc(=O)[nH]c2=O)OC1CO to have a higher LogP value.,CC(=O)CC1(N=[N+]=[N-])CC(n2ccc(=O)[nH]c2=O)OC1CO
MR,Modify the molecule CCC(C#N)S(=O)(=O)Nc1ccccc1OCC(=O)[O-] to have a higher MR value.,CCC(C#N)S(=O)(=O)Nc1ccc(N)cc1OCC(=O)[O-]
QED,Please modify the molecule CCCn1nc(-c2cc(F)ccc2F)cc(C[NH3+])c1=O to decrease its QED value.,CCCn1nc(-c2cc(S)ccc2F)cc(C[NH3+])c1=O
AtomNum,"There is a molecule composed of 52 carbon atoms, 14 oxygen atoms, 2 nitrogen atoms, and 4 silicon atoms.",CC(C)(C)OC(=O)NC(C(O)C(O)C(NC(=O)OC(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC(C)(C)OC1CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC(C)(C)OC1CO[Si](C)(C)C(C)(C)C
BondNum,"Please generate a molecule consisting 12 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",COC(=O)C1CN(c2ncccc2C(N)=S)CCO1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",CC(C)CCCNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
AddComponent,Please add a benzene ring to the molecule Cc1noc(C)c1S(=O)(=O)NCCn1cnc(-c2ccccc2)cc1=O.,Cc1noc(C)c1S(=O)(=O)NCCn1cnc(-c2cccc(-c3ccccc3)c2)cc1=O
SubComponent,Substitute a O=C1CCC(F)(F)C(c2ccccc2)(C(F)F)N1 in the molecule halo with a aldehyde.,CC(=O)C1(F)CCC(=O)NC1(c1ccccc1)C(F)F
DelComponent,Modify the molecule benzene ring by removing a COC(=O)CC(NC(=O)c1cccc2[nH]c(-c3cc4ccccc4cn3)nc12)c1cc(F)cc(F)c1.,COC(=O)CC(F)(F)NC(=O)c1cccc2[nH]c(-c3cc4ccccc4cn3)nc12
LogP,Optimize the molecule Cc1cc(N)ccc1S(=O)(=O)CCC(F)(F)F to have a lower LogP value.,CC(=O)C(F)(F)CCS(=O)(=O)c1ccc(N)cc1C
MR,Modify the molecule CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC(=O)Nc1ccc(NC(C)=O)cc1 to increase its MR value.,CC(=O)Nc1ccc(NC(=O)C[NH+](CC(=O)NC(=O)NC(C)(C)C)C(C)c2ccccc2)cc1
QED,Optimize the molecule Cc1cc2c(-c3ccc(CC(=O)[O-])cc3)ccc(-c3oncc3NC(=O)OC(C)c3ccccc3Cl)c2[nH]1 to have a higher QED value.,Cc1cc2c(-c3ccc(CC(=O)[O-])cc3)ccc(-c3oncc3NC(=O)OC(C)c3ccccc3)c2[nH]1
AtomNum,"The molecule is composed of 11 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",NC(=O)N(C1CCCCC1)C(CC(=O)[O-])C(=O)[O-]
BondNum,"The molecule consists of 14 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",N#CC(C(=O)C1CCCC(C(F)(F)F)C1)c1ccccc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 1 halo group.",COC(C)CCC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1
AddComponent,Please add a hydroxyl to the molecule c1[nH]cc2c1C1CCCC2CC1.,OC1CCC2CCC1c1c[nH]cc12
SubComponent,Please substitute a halo in the molecule OC(Cc1cn2ccsc2[nH+]1)c1cccc(Cl)c1Cl with a nitro.,ONc1cccc(C(O)Cc2cn3ccsc3[nH+]2)c1Cl
DelComponent,Please remove a COCCCNC(=O)c1cccc(C(=O)NC(C)C)n1 from the molecule amide.,COCCCNC(=O)c1ccc-n1C(C)C
LogP,Modify the molecule NC(=S)c1ccnnc1OCc1cccc(Br)c1 to have a lower LogP value.,NC(=S)c1ccnnc1OCc1cccc(O)c1
MR,Please modify the molecule COC(=O)N(C)CC1CCC([NH3+])CC1 to increase its MR value.,COC(=O)N(C)CC1CCC([NH3+])CC1C(=O)O
QED,Optimize the molecule NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(C(=O)NCC5CCC[NH2+]5)cc4)c3)nn2CCC[NH+]2CCSCC2)C1 to have a higher QED value.,NC(=O)N1CCc2c(c(-c3cccc(C#Cc4ccc(C(=O)NCC5CCC[NH2+]5)cc4)c3)nn2CCC[NH+]2CCSCC2)C1
AtomNum,"The molecule contains 15 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",COc1ccc(-c2nc(C#N)c3ccccn23)cc1N
BondNum,"The molecule contains 12 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",CC(C)c1nc2cc(NC(=O)C3(C[NH3+])CCC3)ccc2o1
FunctionalGroup,"The molecule is composed of 1 amine group, and 1 sulfone group.",CN(C)c1cccc2c(S(=O)(=O)NCC[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cccc12
AddComponent,Please add a amine to the molecule Cc1cccc(N2CCN(c3ncnc(Sc4cccc5cccnc45)c3N)CC2)c1C.,Cc1cccc(N2CCN(c3ncnc(Sc4cccc5cccnc45)c3N)CC2)c1CN
SubComponent,Modify the molecule halo by substituting a CC(=O)C(Br)c1ccc(CO)c(O)c1 with a aldehyde.,CC(=O)C(C(C)=O)c1ccc(CO)c(O)c1
DelComponent,Please remove a CCSCCN1C(=O)C(C2CCCCC2)NC(=O)C1CC from the molecule amide.,CCSCCN1C(=O)C(C2CCCCC2)C1C
LogP,Please modify the molecule CC(=O)C(=C(C)c1ccc2[nH]ncc2c1)C(C)C to decrease its LogP value.,CC(=O)C(=C(C)c1cc(O)c2[nH]ncc2c1)C(C)C
MR,Please modify the molecule Cc1ccccc1S(=O)(=O)N(C)N to decrease its MR value.,CNS(=O)(=O)c1ccccc1C
QED,Modify the molecule Cc1cc(OCCCCC(C)(C)C[NH3+])ccc1F to increase its QED value.,Cc1c(F)ccc(OCCCCC(C)(C)C[NH3+])c1O
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 3 oxygen atoms, 8 nitrogen atoms, and 1 chlorine atom.",CNC(=O)C(CCC[NH3+])NC(=O)c1ncn2c(=O)n(CCCl)nnc12
BondNum,"The molecule contains 9 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",CCCc1nc2cccc(C3CC3CO)c2o1
FunctionalGroup,There is a molecule with and 1 nitrile group.,N#CCCC1COc2ccccc21
AddComponent,Modify the molecule CCNC(=O)C(=N)C1CN(C(C)c2cc(C)c(OCC3CC3)cn2)C(=O)C12C=C2 by adding a amine.,CCNC(=O)C(=N)C1CN(C(C)c2cc(C)c(OCC3CC3)cn2)C(=O)C12C=C2N
SubComponent,Please substitute a CCOc1cc(C[NH+]2CCOC(C(C)[NH3+])C2)ccc1O in the molecule hydroxyl with a nitrile.,CCOc1cc(C[NH+]2CCOC(C(C)[NH3+])C2)ccc1C#N
DelComponent,Please remove a hydroxyl from the molecule CC(C)[NH+](CCC(N)=[NH+]O)CC1CCC2(CCCCC2)O1.,CC(C)[NH+](CCC(=[NH+])N)CC1CCC2(CCCCC2)O1
LogP,Modify the molecule CCn1c(NNC(=O)c2ccccc2F)nc2ccccc2c1=O to increase its LogP value.,CCn1c(NC(=O)c2ccccc2F)nc2ccccc2c1=O
MR,Modify the molecule CCOc1ccc(NC(=O)c2cncc(Nc3ccc(F)cc3F)c2)cc1 to have a higher MR value.,CCOc1ccc(NC(=O)c2cncc(Nc3ccc(F)cc3)c2)cc1
QED,Modify the molecule O=S([O-])Nc1ccc(CC[NH2+]Cc2cccc(Oc3ccccc3)c2)cc1 to decrease its QED value.,O=S([O-])Nc1ccc(CC[NH2+]COc2ccccc2)cc1
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, 4 fluorine atoms, and 1 boron atom.",COc1cc(F)c(Bc2cc(OC)c(F)cc2F)c(F)c1
BondNum,"Please generate a molecule consisting 9 single bonds, 3 rotatable bonds, and 16 aromatic bonds.",Fc1ccc(-c2noc(C[NH+]3CCn4ccnc4C3)n2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 ester group, and 1 amide group.",CCC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)OC)C1CC1
AddComponent,Please add a hydroxyl to the molecule COP(=O)(OC)C(=C[N+](=O)[O-])C(C)C.,COP(=O)(OC)C(=C(O)[N+](=O)[O-])C(C)C
SubComponent,Substitute a COc1nnc(CC2CCCS2(=O)=O)cc1Cl in the molecule halo with a carboxyl.,COc1nnc(CC2CCCS2(=O)=O)cc1C(=O)[OH]
DelComponent,Modify the molecule CC(=O)Nc1ccc(F)c(C(=O)N(C)C(C)(C)C(=O)[O-])c1 by removing a halo.,CC(=O)Nc1cccc(C(=O)N(C)C(C)(C)C(=O)[O-])c1
LogP,Modify the molecule CCCCC([NH2+]C(C)c1cccc(OC)c1)c1cccc(NC(C)=O)c1 to increase its LogP value.,CCCCC([NH2+]C(C)c1cccc(OC)c1)c1ccccc1
MR,Modify the molecule CC1CC(O)C23COC(=O)C1(CC(OC(=O)c1ccccc1)c1ccoc1)C2CCCC3(O)CCl to decrease its MR value.,CC1CC(O)C23COC(=O)C1(CC(OC(=O)c1ccccc1)c1ccoc1)C2CCCC3(C)O
QED,Modify the molecule CC(C)N(NC(=O)c1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)C=Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 to decrease its QED value.,CC(CO)N(NC(=O)c1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)C=Cc1cn(C(=O)OC(C)(C)C)c2ccccc12
AtomNum,"Please generate a molecule with 21 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CN(C(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C1CCCc2ccccc21
BondNum,"The molecule consists of 15 single bonds, 3 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",C[NH+](C)CCN(C(=O)C(c1ccccc1)c1ccccc1)C1CCS(=O)(=O)C1
FunctionalGroup,"Please generate a molecule with 1 amide group, and 2 halo groups.",O=C(c1cc2c(Cl)c(Cl)ccc2[nH]1)N(Cc1ccco1)C1CC1
AddComponent,Please add a benzene ring to the molecule COC(=O)NC12CCC(NS(=O)(=O)c3ccc(CNC(=O)c4cc5ccncc5s4)cc3)(CC1)CC2.,COC(=O)NC12CCC(NS(=O)(=O)c3ccc(CNC(=O)c4cc5ccncc5s4)cc3)(CC1)CC2c1ccccc1
SubComponent,Modify the molecule halo by substituting a Brc1ccc(OC2CC[NH2+]2)nc1 with a nitrile.,N#Cc1ccc(OC2CC[NH2+]2)nc1
DelComponent,Please remove a halo from the molecule Cc1csc(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1.,Cc1csc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)n1
LogP,Modify the molecule CCc1cccc(N(c2cccc(C)c2)c2cccc3c2-c2ccc(C)cc2C3)c1 to have a lower LogP value.,Cc1cccc(N(c2cccc(C(C)N)c2)c2cccc3c2-c2ccc(C)cc2C3)c1
MR,Please modify the molecule Cc1ccc(Cl)cc1Nc1ccc(C(=O)N2CCc3ccccc32)nc1 to increase its MR value.,Cc1ccc(S)cc1Nc1ccc(C(=O)N2CCc3ccccc32)nc1
QED,Optimize the molecule CC(O)C[NH2+]Cc1ccc2c(c1)cc(-c1ccc(Cl)c3c1C(=O)NC3)n2C(=O)OC(C)(C)C to have a lower QED value.,CC(S)C[NH2+]Cc1ccc2c(c1)cc(-c1ccc(Cl)c3c1C(=O)NC3)n2C(=O)OC(C)(C)C
AtomNum,"The molecule has 10 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC(C[NH3+])CS(=O)(=O)CCC(C)(C)C
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 9 rotatable bonds, and 23 aromatic bonds.",CCN(CC)c1onc(-c2ccccc2)c1CN(Cc1ccccc1)C(=O)c1ccc(C)cc1
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,Cc1ccc(-n2ccc(C3CC3)n2)c(C[NH2+]CC(C)C)c1
AddComponent,Add a benzene ring to the molecule Cc1ccc(C(C)(O)Cc2ccccc2Cl)cc1C.,Cc1cc(-c2ccccc2)c(C(C)(O)Cc2ccccc2Cl)cc1C
SubComponent,Modify the molecule halo by substituting a CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3cccc(C(=O)NC4(C(=O)OC)CC4)c3)cc12 with a nitro.,CNC(=O)c1c(-c2ccc(NO)cc2)oc2nc(NCC(F)(F)F)c(-c3cccc(C(=O)NC4(C(=O)OC)CC4)c3)cc12
DelComponent,Modify the molecule COC1(C(N)=O)CCCCC1 by removing a amide.,COC1CCCC1
LogP,Please optimize the molecule Cc1ccc(N)c(N(C)CCc2ccc(F)cc2)c1 to have a lower LogP value.,Cc1cc(CC=O)c(N)c(N(C)CCc2ccc(F)cc2)c1
MR,Modify the molecule CS(=O)(=O)NC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 to have a lower MR value.,CS(=O)(=O)NC1CCN(C(=O)C2CCN(S(=O)(=O)F)CC2)CC1
QED,Please optimize the molecule CC1(C)CC(=NNCC(F)F)C1 to have a lower QED value.,CC1(C)CC(=NNCCF)C1
AtomNum,"The molecule consists of 8 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",COC(C)C(NN)C1CCOC1
BondNum,"Please generate a molecule consisting 15 single bonds, 1 double bond, and 4 rotatable bonds.",CC1CC[NH2+]CC1OCC(=O)N(C)C(C)C
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 1 amine group, 2 halo groups, and 1 nitrile group.",N#Cc1cc(NCC(=O)Nc2ccc(Cl)cc2)ccc1F
AddComponent,Please add a benzene ring to the molecule C=C(C)c1ccnc(C(=C)C)c1.,C=C(C)c1ccnc(C(C)=Cc2ccccc2)c1
SubComponent,Please substitute a CCCC1(O)CCC2(CC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)CC1 in the molecule halo with a aldehyde.,CC(=O)C(F)(F)Oc1ccc(C[NH+]2CCC3(CCC(O)(CCC)CC3)C2)cc1
DelComponent,Remove a amine from the molecule CC(C)Nc1ncnc2[nH]ccc12.,CC(C)c1ncnc2[nH]ccc12
LogP,Please modify the molecule COc1ccc2c([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc(=O)oc2c1 to decrease its LogP value.,COc1ccc2c([P+](c3ccccc3)c3ccccc3)cc(=O)oc2c1
MR,Modify the molecule CCCCCCC(CCCCCC)C1(C(F)(F)F)CC2CC21C to have a higher MR value.,CCCCCCC(CCCCCC)C1(C(F)(F)F)CC2(c3ccccc3)CC21C
QED,Modify the molecule O=C(Nc1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)c1cccs1 to have a lower QED value.,O=C(Nc1nc2c(C(F)(F)S)cc(-c3ccoc3)cn2c1Cl)c1cccs1
AtomNum,"The molecule contains 17 carbon atoms, 6 nitrogen atoms, and 1 sulfur atom.",CCNC(NCC(C)Cn1cccn1)=[NH+]Cc1nc(C(C)C)cs1
BondNum,"Please generate a molecule with 4 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",COCc1ccccc1N=O
FunctionalGroup,Please generate a molecule consisting and 1 halo group.,Clc1ncccc1C[NH+]1CCCC1C1CCCC1
AddComponent,Please add a benzene ring to the molecule [NH3+]CCN(CCOc1ccccc1F)CCc1ccccc1.,[NH3+]CCN(CCOc1ccccc1F)CCc1cccc(-c2ccccc2)c1
SubComponent,Please substitute a CC[NH+](CC(N)=[NH+]O)Cc1ccccc1Br in the molecule hydroxyl with a aldehyde.,CC(=O)[NH+]=C(N)C[NH+](CC)Cc1ccccc1Br
DelComponent,Modify the molecule benzene ring by removing a Cc1nc2sccc2c(=O)n1NC(=O)c1ccc(OCCC(C)C)cc1.,Cc1nc2sccc2c(=O)n1NC(=O)OCCC(C)C
LogP,Please optimize the molecule NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(C3CCCCC3)CCCCC2)c1 to have a higher LogP value.,O=C(Nc1cc([SH](=O)=O)ccc1[O-])C1(C2CCCCC2)CCCCC1
MR,Optimize the molecule OC(COc1ccc(-c2nnco2)cc1)c1c(F)cccc1F to have a higher MR value.,CC(=O)c1cccc(F)c1C(O)COc1ccc(-c2nnco2)cc1
QED,Please modify the molecule CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2OC(F)F)cc1 to increase its QED value.,CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2OCF)cc1
AtomNum,"The molecule is composed of 21 carbon atoms, 6 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COc1cc(OC)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c1
BondNum,"Please generate a molecule with 24 single bonds, 1 double bond, 8 rotatable bonds, and 11 aromatic bonds.",COCCCN(C(=O)c1ccc(-c2cc(C)cs2)nc1N1CCCCC1)C1CC[NH+](C)CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 3 halo groups, and 1 sulfone group.",O=C(NC1CCc2cc(Cl)ccc21)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
AddComponent,Modify the molecule O=C(CCCCCn1ccc(=O)cc1)N1CCC[NH2+]CC1 by adding a carboxyl.,O=C(O)C1C[NH2+]CCCN1C(=O)CCCCCn1ccc(=O)cc1
SubComponent,Modify the molecule halo by substituting a O=C(CSc1ccnc(=O)[nH]1)Nc1ccc(F)cc1F with a nitrile.,N#Cc1ccc(NC(=O)CSc2ccnc(=O)[nH]2)c(F)c1
DelComponent,Modify the molecule nitrile by removing a Cc1ccc(SCc2noc(CCCC#N)n2)cc1.,CCCc1nc(CSc2ccc(C)cc2)no1
LogP,Please optimize the molecule COc1cccc(-c2nnc(Br)s2)c1 to have a lower LogP value.,COc1nnc(Br)s1
MR,Please modify the molecule C[NH2+]Cc1cc(NC(=O)N(C)CCc2cccc(C(C(=O)[O-])N(c3ccc4cnccc4c3)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)ccc1S(=O)(=O)C1CC1 to decrease its MR value.,C[NH2+]Cc1cc(NC(=O)N(C)CCC(C(=O)[O-])N(c2ccc3cnccc3c2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1S(=O)(=O)C1CC1
QED,Modify the molecule CCC(N)(C#N)CCCSc1ccccc1Br to decrease its QED value.,CCC(N)CCCSc1ccccc1Br
AtomNum,"The molecule consists of 25 carbon atoms, 5 oxygen atoms, and 1 sulfur atom.",CCCCCCCCCC1(C)CCc2cc(OCCCCCCS(=O)(=O)[O-])ccc2O1
BondNum,"There is a molecule consisting of 16 single bonds, 9 rotatable bonds, and 18 aromatic bonds.",CC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(OCC(F)(F)F)cc1
FunctionalGroup,The molecule contains and 1 amine group.,CC(C)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1
AddComponent,Modify the molecule COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCCc3ccccn3)cs2)C(C)C)cc1 by adding a hydroxyl.,COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCCc3ccccn3)cs2)C(C)C)c(O)c1
SubComponent,Substitute a halo in the molecule CCCOc1c(Cl)cc(C=NNC(=O)Nc2ccccc2)cc1Cl with a aldehyde.,CC(=O)c1cc(C=NNC(=O)Nc2ccccc2)cc(Cl)c1OCCC
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)cc1.,CCONS(=O)(=O)c1cn(C2CCCC2)nc1C
LogP,Please optimize the molecule CC(C)(Cc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 to have a lower LogP value.,CC(C)(Cc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1)C(=O)NCC1(c2ccccc2)CCC1
MR,Please optimize the molecule CCCCCCc1ccc(C(=O)N(CCCOCC)Cc2nc(C(=O)OC)cs2)cc1 to have a higher MR value.,CCCCCCc1ccc(C(=O)N(CCC(OCC)c2ccccc2)Cc2nc(C(=O)OC)cs2)cc1
QED,Modify the molecule Cc1ccc(NC(=O)NCC(O)c2cccn2C)cc1C to decrease its QED value.,Cc1ccc(NC(=O)NCC(NO)c2cccn2C)cc1C
AtomNum,"The molecule contains 20 carbon atoms, and 1 silicon atom.",C[Si]1(C)C2=C(CCCCCCCCCC2)c2ccccc21
BondNum,"There is a molecule consisting of 21 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",CCCN(CCC)C(=O)Oc1c(-c2ccc(C)cc2)nn(C)c1C1Nc2cc3c(cc2N1)C[NH2+]C3
FunctionalGroup,"There is a molecule composed of 2 amide groups, 1 nitro group, and 1 sulfide group.",O=C1CN(C(=O)c2csc([N+](=O)[O-])c2)C(C(=O)[O-])CN1
AddComponent,Please add a hydroxyl to the molecule CCNC(=O)c1cccc(NC(=O)c2cccn2C)c1.,CCNC(=O)c1cc(O)cc(NC(=O)c2cccn2C)c1
SubComponent,Modify the molecule halo by substituting a Cc1[nH]nc(C(F)(F)F)c1NC(=O)C(C)Cn1nc(C(F)(F)F)cc1C with a nitro.,Cc1[nH]nc(C(F)(F)NO)c1NC(=O)C(C)Cn1nc(C(F)(F)F)cc1C
DelComponent,Modify the molecule hydroxyl by removing a CC1C(O)CCC1C1CCc2cccnc21.,CC1CCCC1C1CCc2cccnc21
LogP,Modify the molecule CC[NH2+]CC(C)(O)COc1cccc([N+](=O)[O-])c1 to decrease its LogP value.,CC[NH2+]CC(C)(COc1cccc([N+](=O)[O-])c1)NO
MR,Modify the molecule Cc1c(C#N)c(NC(=O)COC(=O)Cc2coc(-c3ccccc3)n2)n(-c2ccccc2)c1C to decrease its MR value.,Cc1c(O)c(NC(=O)COC(=O)Cc2coc(-c3ccccc3)n2)n(-c2ccccc2)c1C
QED,Please modify the molecule C=CCCCC(=O)N1C(C=C)CC23CN(S(=O)(=O)c4ccccc4)CCC2c2cc(CCCO)oc2C13 to decrease its QED value.,C=CCCCC(=O)N1C(C=C)CC23CN(S(=O)(=O)c4ccccc4)CCC2c2cc(CCC)oc2C13
AtomNum,"Please generate a molecule consisting 28 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCc1cc(C2CC2)c(-c2n[nH]c(COC)n2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
BondNum,"The molecule consists of 8 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",Nc1ccc(C(=O)NC2COc3ccccc32)cn1
FunctionalGroup,"The molecule contains 1 amide group, and 1 halo group.",CCCN(CCCl)C(=O)C1COCCO1
AddComponent,Modify the molecule CC1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2O)C(C)C1 by adding a carboxyl.,CC1CCC([NH2+]Cc2cc(Cl)c(C(=O)O)c(Cl)c2O)C(C)C1
SubComponent,Please substitute a Cc1cc(N(CCCl)C2CCCCC2)nc(C)n1 in the molecule halo with a nitrile.,Cc1cc(N(CCC#N)C2CCCCC2)nc(C)n1
DelComponent,Modify the molecule amine by removing a CCC1(C)Cc2cc(C)ccc2N1.,CCC1(C)Cc2cc(C)ccc21
LogP,Optimize the molecule CC(CO)Cn1nnc(C(=O)[O-])c1C(C)(C)C to have a higher LogP value.,CC(CC(=O)[OH])Cn1nnc(C(=O)[O-])c1C(C)(C)C
MR,Please modify the molecule CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(O)c1 to decrease its MR value.,CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1
QED,Optimize the molecule O=C(C=Cc1ccccn1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 to have a higher QED value.,O=C(C=Cc1ccccn1)N1CCN(C(=O)c2cc(F)c(F)cc2O)CC1
AtomNum,"There is a molecule composed of 12 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CCOC(=O)C1CCCN(C(=O)NC(=O)C(C)Cl)C1
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",CC(NC(=O)c1ccco1)C(=O)Nc1ncccc1O
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,CC(C)c1cc(-c2ccccc2)nnc1N1CCN(c2ncccn2)CC1
AddComponent,Modify the molecule CCC1CCCCN1C(=O)C1(C(=O)N(CC)Cc2ccccc2)CC1 by adding a benzene ring.,CCC1CCCCN1C(=O)C1(C(=O)N(CC)Cc2ccccc2-c2ccccc2)CC1
SubComponent,Please substitute a halo in the molecule CCC(C1CCCCC1)n1c(N)nc2cc(F)c(Br)cc21 with a carboxyl.,CCC(C1CCCCC1)n1c(N)nc2cc(C(=O)[OH])c(Br)cc21
DelComponent,Please remove a halo from the molecule O=C(CCC1CC[NH2+]CC1)NCc1ccccc1OC(F)(F)F.,O=C(CCC1CC[NH2+]CC1)NCc1ccccc1OC(F)F
LogP,Modify the molecule Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C=CC(=O)NCC(=O)N(C)C to have a lower LogP value.,Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C=C(O)C(=O)NCC(=O)N(C)C
MR,Please modify the molecule CCC(COC)n1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc21 to increase its MR value.,CCC(COC)n1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(C#N)cc21
QED,Please optimize the molecule O=c1c2ccccc2nc(SCc2coc(-c3ccc(F)cc3)n2)n1-c1ccccc1F to have a higher QED value.,O=c1c2ccccc2nc(SCc2coc(-c3ccc(F)cc3)n2)n1F
AtomNum,"The molecule contains 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 fluorine atom.",Cc1ccc(F)cc1CC([NH3+])C1CCC(C)O1
BondNum,"The molecule is composed of 17 single bonds, 1 double bond, and 5 rotatable bonds.",CCOC1CC([NH3+])(C(=O)N(CC)C(C)C)C1(C)C
FunctionalGroup,There is a molecule consisting of and 1 halo group.,CC[NH2+]Cc1cnc(OC(C)C(C)C)c(Cl)c1
AddComponent,Please add a aldehyde to the molecule CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)CNS(=O)(=O)c1ccc2oc3ccccc3c2c1)Cc1ccncc1.,CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)CNS(=O)(=O)c1ccc2oc3ccccc3c2c1)Cc1ccnc(CC=O)c1
SubComponent,Modify the molecule Cc1cc(I)ccc1NC(=O)c1cccc(OCC(C)C)c1 by substituting a halo with a carboxyl.,Cc1cc(C(=O)[OH])ccc1NC(=O)c1cccc(OCC(C)C)c1
DelComponent,Remove a amide from the molecule CC1CC(C)CN(C(=O)CCC2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)C1.,CC1CC(C)C(CC2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)C1
LogP,Modify the molecule C=Cc1cc2c(OC3CC(C(=O)OCC)N(C(=O)C([NH3+])C4CCCCC4)C3)nccc2cc1OC to have a lower LogP value.,C=Cc1cc2c(OC3CC(C(=O)OCC)N(C(=O)C([NH3+])C4(O)CCCCC4)C3)nccc2cc1OC
MR,Modify the molecule CN1C(=O)C(NC(=O)C(C)(C)C(=O)NCC(F)(F)F)CN(C(=O)c2ccccc2)c2ccccc21 to increase its MR value.,CN1C(=O)C(NC(=O)C(C)(C)C(=O)NCC(F)(F)S)CN(C(=O)c2ccccc2)c2ccccc21
QED,Please modify the molecule CC(Nc1ccc(Br)cc1C(=O)[O-])C(=O)[O-] to decrease its QED value.,CC(Nc1ccc(C#N)cc1C(=O)[O-])C(=O)[O-]
AtomNum,"The molecule has 40 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",CCCCCCCCCCCCCCCCCOCCCOC(=O)NCCCCCC(=O)NCCC(C)(C)OCCC(C)(CC)OCC[NH3+]
BondNum,"There is a molecule with 14 single bonds, 3 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCOC(=O)c1nnn(CC(=O)N2CCNC2=O)c1CCl
FunctionalGroup,"The molecule contains 1 amide group, and 1 amine group.",CCC(CC)(OC)C1=[NH+]C(C(C)C)C(=O)N1
AddComponent,Modify the molecule Cc1ccc(C(C)[NH2+]CC(=O)NC2CC2)cc1[N+](=O)[O-] by adding a aldehyde.,Cc1ccc(C(C)[NH2+]CC(=O)NC2CC2CC=O)cc1[N+](=O)[O-]
SubComponent,Substitute a halo in the molecule NC(=O)c1ccccc1OCC(O)C[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 with a carboxyl.,NC(=O)c1ccccc1OCC(O)C[NH2+]C1CC[NH+](Cc2cccc(C(=O)[OH])c2)CC1
DelComponent,Remove a halo from the molecule Cc1ccc(COc2ccn(CCc3ccc4c(c3)CCN(C(=O)C(F)(F)F)CC4)c(=O)c2)nc1.,Cc1ccc(COc2ccn(CCc3ccc4c(c3)CCN(C(=O)C(F)F)CC4)c(=O)c2)nc1
LogP,Modify the molecule CC(C)C(CNc1ccccc1C#N)[NH+]1CCN(C)CC1 to have a lower LogP value.,CC(C)C(CNC#N)[NH+]1CCN(C)CC1
MR,Modify the molecule Nc1ncc(C[NH+]2CCc3cc(Cl)ccc3C2)s1 to decrease its MR value.,Nc1ncc(C[NH+]2CCc3ccccc3C2)s1
QED,Modify the molecule CC(=O)Nc1ccc(C(=O)CSc2[nH+]cc(-c3ccc(Cl)cc3)n2-c2ccccc2C)cc1 to increase its QED value.,CC(=O)Nc1ccc(C(=O)CSc2[nH+]cc(-c3ccc(C#N)cc3)n2-c2ccccc2C)cc1
AtomNum,"The molecule contains 26 carbon atoms, 4 oxygen atoms, and 1 phosphorus atom.",CCOP(OCC)Oc1c(C)c2c(c(C)c1-c1c(OC)ccc3ccccc13)CCC2
BondNum,"Please generate a molecule composed of 24 single bonds, 2 double bonds, and 8 rotatable bonds.",C=CC(C)C(O)CC(OC)C1OC(=O)C(C)(C)C1O[Si](C)(C)C(C)(C)C
FunctionalGroup,"Please generate a molecule composed of 6 hydroxyl groups, and 1 halo group.",Cc1cn(C2OC(CO)C(O)C2(O)F)c(=O)n(C2OC(CO)C(O)C2O)c1=O
AddComponent,Please add a benzene ring to the molecule CC(NC(=O)C(C)(COC=O)c1cc(-c2ccccc2)on1)C(Cc1ccc(Cl)cc1)c1cccc(C#N)c1.,CC(NC(=O)C(C)(COC(=O)c1ccccc1)c1cc(-c2ccccc2)on1)C(Cc1ccc(Cl)cc1)c1cccc(C#N)c1
SubComponent,Please substitute a halo in the molecule Fc1ccc(N2CC[NH+](CCC[NH+]3Cc4ccccc4C4(C3)OCCS4)CC2)cc1 with a thiol.,Sc1ccc(N2CC[NH+](CCC[NH+]3Cc4ccccc4C4(C3)OCCS4)CC2)cc1
DelComponent,Please remove a CCOc1ccccc1-c1cc(N)n[nH]1 from the molecule amine.,CCOc1ccccc1-c1ccn[nH]1
LogP,Please modify the molecule Cc1c(NC(=O)N2CC3CCCCC3C2)cnn1-c1ccccc1F to increase its LogP value.,Cc1c(NC(=O)N2CC3CCCCC3C2)cnn1-c1ccccc1S
MR,Please modify the molecule Cc1ccc(N2CC[NH+](C)C(CC[NH3+])C2=O)cc1 to decrease its MR value.,CN1CC[NH+](C)C(CC[NH3+])C1=O
QED,Please optimize the molecule CNC(=O)N(C)C=NC1CCCCC1[NH+]=CN(C)C(=O)NC to have a higher QED value.,CNC(=O)N(C)C=NC1CCCCC1CN(C)C(=O)NC
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 chlorine atoms.",Cc1ccc(C#N)cc1OCC(=O)c1ccc(Cl)cc1Cl
BondNum,"There is a molecule consisting of 6 single bonds, 4 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",Nc1nnc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)s1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 hydroxyl groups, 3 halo groups, and 1 sulfone group.",COc1ccc(C23Oc4cc(OS(=O)(=O)C(F)(F)F)cnc4C2(O)C(O)C(C(=O)[O-])C3c2ccccc2)cc1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C([NH3+])c2ccc(C(C)C)cc2)c(Br)c1.,Cc1cc(Br)c(C([NH3+])c2ccc(C(C)C)cc2)c(-c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a CNC(=O)c1ccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)N(C)C)c3)CC2)cc1Cl with a hydroxyl.,CNC(=O)c1ccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(O)c(C(=O)N(C)C)c3)CC2)cc1Cl
DelComponent,Remove a benzene ring from the molecule CCCCn1c(=O)n(CCCc2nc(Cc3cccc(F)c3F)no2)c(=O)c2[nH]c(Cl)nc21.,CCCCn1c(=O)n(CCCc2nc(C(F)F)no2)c(=O)c2[nH]c(Cl)nc21
LogP,Modify the molecule CC(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F to have a lower LogP value.,CC(C)[Si](C)(C)OS(=O)(=O)C(F)F
MR,Please modify the molecule O=C(c1cccnc1Br)N1CCOc2ccccc2C1 to decrease its MR value.,O=C(c1cccnc1)N1CCOc2ccccc2C1
QED,Modify the molecule CC(C)C(C(=O)[O-])N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S to decrease its QED value.,CC(CCC=O)C(C(=O)[O-])N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S
AtomNum,"The molecule is composed of 8 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",COc1ccc(CN=O)c(Cl)c1
BondNum,"There is a molecule composed of 18 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",COc1cc(COCC2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc(OC)c1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, and 1 nitro group.",CC(CCO)(C(=O)[O-])c1ccccc1[N+](=O)[O-]
AddComponent,Please add a carboxyl to the molecule CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1.,CC[NH+]1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])c(N3CCCCC3)cc2C(=O)O)CC1
SubComponent,Substitute a hydroxyl in the molecule COC(=O)CCc1cc(C(C)=O)ccc1OCCCCCO with a nitro.,COC(=O)CCc1cc(C(C)=O)ccc1OCCCCCNO
DelComponent,Remove a amide from the molecule COc1cccc(OCCNC(=O)COc2ccc(I)cc2)c1.,COc1cccc(OCCOc2ccc(I)cc2)c1
LogP,Modify the molecule CC(C)C[NH2+]CCCCCCc1c(Cl)cc(Cl)cc1Cl to decrease its LogP value.,CC(C)C[NH2+]CCCCCCc1ccc(Cl)cc1Cl
MR,Modify the molecule COc1cccc(C=NNC(=O)C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1O to decrease its MR value.,COc1cccc(C=NNC(=O)C2CCCN(S(C)(=O)=O)C2)c1O
QED,Optimize the molecule CCCNC(=O)C1CCN(C(=O)C=Cc2c(Cl)nc3ccccn23)CC1 to have a higher QED value.,CCCNC(=O)C1CCN(C(=O)C=Cc2cnc3ccccn23)CC1
AtomNum,"Please generate a molecule consisting 8 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",COCCNC(N(C)C)=[N+](C)C
BondNum,"The molecule consists of 6 single bonds, 1 double bond, 3 rotatable bonds, and 22 aromatic bonds.",Cc1cc(C)cc(-n2ncc3c(=O)n(Cc4cccc(Cl)c4)cnc32)c1
FunctionalGroup,"There is a molecule with 1 ketone group, and 2 ester groups.",C=CC(=C)CCC1(C)C(C)CCC23C(=CC(=O)CC12)C(OC(C)=O)OC3OC(C)=O
AddComponent,Add a benzene ring to the molecule CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)N3CCC(C)CC3)cs2)cc1.,CC(=O)Nc1ccc(NC(=O)C(Sc2nc(CC(=O)N3CCC(C)CC3)cs2)c2ccccc2)cc1
SubComponent,Please substitute a CCC(C)(CC)n1c(CCCl)nc2cc(C)cnc21 in the molecule halo with a nitro.,CCC(C)(CC)n1c(CCNO)nc2cc(C)cnc21
DelComponent,Please remove a benzene ring from the molecule COC(=O)c1c(C)[nH]c(C(=O)NC(c2ccc(C)cc2)c2cccs2)c1C.,COC(=O)c1c(C)[nH]c(C(=O)NC(C)c2cccs2)c1C
LogP,Modify the molecule CCC(=O)N(CCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccccc1OC to decrease its LogP value.,CCC(=O)N(CC(N)N1C(=O)c2cccc3cccc(c23)C1=O)c1ccccc1OC
MR,Modify the molecule CN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O to decrease its MR value.,CN1CN(c2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O
QED,Please modify the molecule CC(C)(Cn1c(=O)nc(Nc2ccc(Oc3ccnc(Cl)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)[O-] to increase its QED value.,CC(C)(Cn1c(=O)nc(Nc2ccc(Oc3ccnc(Cl)c3)cc2)n(CCl)c1=O)C(=O)[O-]
AtomNum,"There is a molecule composed of 24 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",COc1ccccc1CCNC(=O)C[NH+](C)Cc1c(C)nn(-c2ccccc2)c1C
BondNum,"The molecule has 6 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",CCOC(=O)c1oc2c(C)cncc2c1N
FunctionalGroup,"There is a molecule composed of 1 halo group, and 1 sulfide group.",COCC1CCCN(C(c2cc(Br)cs2)C(C)[NH3+])C1
AddComponent,Modify the molecule Nc1cccc(C#Cc2cncc(NC(=O)[O-])c2)c1 by adding a amine.,Nc1cc(N)cc(C#Cc2cncc(NC(=O)[O-])c2)c1
SubComponent,Please substitute a hydroxyl in the molecule CC(C)Oc1cccc(C(=O)NCC2(O)CCC2)c1 with a carboxyl.,CC(C)Oc1cccc(C(=O)NCC2(C(=O)[OH])CCC2)c1
DelComponent,Please remove a amide from the molecule CC(C)Oc1cccc(C2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(F)cc2)c1.,CC(C)Oc1cccc(CC(Oc2ccc(F)cc2)c2ccc(F)cc2)c1
LogP,Modify the molecule CC(Oc1ccccc1Cl)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 to decrease its LogP value.,CC(Oc1ccccc1Cl)C(=O)NCc1ccccc1C[NH+]1CCNCC1
MR,Please optimize the molecule Cc1ccn2ncc(Br)c2c1C1=CCC(C#N)CC1 to have a lower MR value.,Cc1ccn2nccc2c1C1=CCC(C#N)CC1
QED,Modify the molecule O=C(Cc1ccc(Oc2ccc(OC3CCC(NC(=O)c4ccc[nH]4)CC3)cc2)nc1)Nc1ccccc1C(=O)[O-] to increase its QED value.,O=C(Cc1ccc(OOC2CCC(NC(=O)c3ccc[nH]3)CC2)nc1)Nc1ccccc1C(=O)[O-]
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",N#Cc1ccc2c(Br)csc2c1C=O
BondNum,"There is a molecule composed of 142 single bonds, 28 double bonds, 91 rotatable bonds, and 5 aromatic bonds.",CCC(C)C(NC(=O)C(CCCC[NH3+])NC(=O)C(CCCNC(N)=[NH2+])NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CCC(N)=O)NC(=O)C(CCC(=O)[O-])NC(=O)C(C)NC(=O)C(NC(=O)C(CO)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C1CCC[NH2+]1)C(C)O)C(=O)NC(CC(N)=O)C(=O)NC(CCCC[NH3+])C(=O)NC(CO)C(=O)NC(CCC(=O)[O-])C(=O)NC(CC(C)C)C(=O)NC(CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)[O-]
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 2 ester groups, and 1 nitrile group.",N#Cc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)OC4C=CC=C4)cc3)cc2)cc1
AddComponent,Add a hydroxyl to the molecule COC(=O)COc1c(C)cc(SCc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)c2c1CCCO2.,COC(=O)COc1c(C)cc(SCc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)c2c1CCC(O)O2
SubComponent,Substitute a halo in the molecule COc1cc(Cl)cc(C(=O)N(NC(=O)Nc2cc(F)ccc2F)C(C)(C)C)c1 with a hydroxyl.,COc1cc(O)cc(C(=O)N(NC(=O)Nc2cc(F)ccc2F)C(C)(C)C)c1
DelComponent,Remove a amine from the molecule CCONCC(=O)NC1CCCC1.,CCOCC(=O)NC1CCCC1
LogP,Please modify the molecule Cc1nc2ccccc2n1C1CC2CCC(C1)[NH+]2CCC1(c2ccccc2)CCN(C(=O)C2CC(=O)N(CCC#N)C2)CC1 to decrease its LogP value.,Cc1nc2ccccc2n1C1CC2CCC(C1)[NH+]2CCC1(c2ccccc2)CCN(C(=O)C2(O)CC(=O)N(CCC#N)C2)CC1
MR,Please optimize the molecule COc1cc(C=Nc2ccccc2)cc(Cl)c1OCC(=O)[O-] to have a higher MR value.,COc1cc(C=Nc2ccccc2)cc(S)c1OCC(=O)[O-]
QED,Modify the molecule C[NH2+]C1COCC1C(=O)NCc1cnccc1C to decrease its QED value.,C[NH2+]C1(Cc2cnccc2C)COC1
AtomNum,"There is a molecule with 25 carbon atoms, 5 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cn1c(Cc2ccccc2)nnc1SCc1nc2cc(Cl)ccc2n1Cc1ccccc1
BondNum,"Please generate a molecule with 12 single bonds, 2 double bonds, 1 triple bond, 3 rotatable bonds, and 12 aromatic bonds.",N#CC(=Cc1cc(Cl)c([O-])c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1
FunctionalGroup,There is a molecule composed of and 2 ester groups.,C=CCC(CC=CC=CC(=O)OC)CC(=O)OC
AddComponent,Add a benzene ring to the molecule CCOC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1CC.,CCOC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1C(C)c1ccccc1
SubComponent,Substitute a halo in the molecule CCCCN(C)S(=O)(=O)C(C)CCl with a hydroxyl.,CCCCN(C)S(=O)(=O)C(C)CO
DelComponent,Modify the molecule CCOCc1cccc(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)c1 by removing a benzene ring.,CCOCCNC(=O)NCc1c(C)cc(C)[nH]c1=O
LogP,Please optimize the molecule CCCC(C)(CO)Cc1ccc(C)c(C)c1 to have a higher LogP value.,CCCC(C)(C)Cc1ccc(C)c(C)c1
MR,Modify the molecule CCOc1ccc(S(=O)(=O)N(Cc2ccsc2)Cc2ccco2)cc1 to have a lower MR value.,CCOS(=O)(=O)N(Cc1ccsc1)Cc1ccco1
QED,Please optimize the molecule OC1CCCCC1C[NH+]1CCc2sccc2C1 to have a lower QED value.,O=C(O)C1(C[NH+]2CCc3sccc3C2)CCCCC1O
AtomNum,"There is a molecule composed of 15 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, 1 chlorine atom, and 1 bromine atom.",O=C(NCc1cc2c(s1)CCC2)c1ccc(Cl)cc1Br
BondNum,"The molecule contains 15 single bonds, 3 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",CCCN(CC(=O)Nc1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O
FunctionalGroup,The molecule has and 1 hydroxyl group.,CC(NC(=O)NCC(C)(C)C1(O)CCOCC1)C1CCCCO1
AddComponent,Add a hydroxyl to the molecule CN(C)S(=O)(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-].,CN(CO)S(=O)(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-]
SubComponent,Modify the molecule halo by substituting a COCCn1c(-c2cccs2)csc1=Nc1ccc(OC(F)F)cc1 with a hydroxyl.,COCCn1c(-c2cccs2)csc1=Nc1ccc(OC(O)F)cc1
DelComponent,Modify the molecule FC1=C(Br)C2NSN=C2C(Br)=C1 by removing a halo.,BrC1=CC=C(Br)C2NSN=C12
LogP,Please optimize the molecule O=C(COc1cccc(F)c1)N1CCOC2(CCCCc3ccccc3OCCNC2=O)C1 to have a lower LogP value.,Nc1ccc2c(c1)CCCCC1(CN(C(=O)COc3cccc(F)c3)CCO1)C(=O)NCCO2
MR,Please modify the molecule CCC(C)COc1c(Br)cccc1C[NH2+]C(C)(C)C to decrease its MR value.,CCC(C)COC(Br)[NH2+]C(C)(C)C
QED,Modify the molecule Cc1cnccc1C[NH+](C)Cc1cn(C)nc1-c1cccc(Cl)c1 to have a higher QED value.,Cc1cnccc1C[NH+](C)Cc1cn(C)nc1-c1ccccc1
AtomNum,"The molecule contains 12 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCCC([NH3+])C(=O)N1CCCC(CC(N)=O)C1
BondNum,"There is a molecule composed of 7 single bonds, 2 double bonds, 4 rotatable bonds, and 21 aromatic bonds.",CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)n2ccc3ccccc3c12
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 sulfide group.",CCOCCCNC(=O)c1cnn2c(-c3cccs3)ccnc12
AddComponent,Add a amine to the molecule C1=[NH+]CCN1Nc1ccc2ocnc2c1.,NC1=[NH+]CCN1Nc1ccc2ocnc2c1
SubComponent,Please substitute a halo in the molecule COc1ccc(SS)cc1Cl with a hydroxyl.,COc1ccc(SS)cc1O
DelComponent,Modify the molecule halo by removing a CCCCCC[NH+](C)CCOc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1.,CCCCCC[NH+](C)CCOc1ccc2nc(SCc3ccccc3)sc2c1
LogP,Please modify the molecule N#CSc1ccc(Cl)cc1 to decrease its LogP value.,OSc1ccc(Cl)cc1
MR,Modify the molecule COc1cccc(N(C)CC2CCCCC2O)c1 to have a lower MR value.,COc1cccc(N(C)CC2CCCCC2)c1
QED,Please modify the molecule CCn1ncc(C[NH2+]Cc2ccccc2F)c1C to decrease its QED value.,CCn1ncc(C([NH2+]Cc2ccccc2F)c2ccccc2)c1C
AtomNum,"There is a molecule with 10 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",O=C(NC1CC[NH2+]C1)c1cccnc1
BondNum,"The molecule has 8 single bonds, 5 rotatable bonds, and 16 aromatic bonds.",CCc1c(CO)c2cc(OC)ccc2n1Cc1ccccc1
FunctionalGroup,"There is a molecule consisting of 1 amide group, 1 amine group, and 1 halo group.",CCNC(=O)CN(C)c1ncc(N)cc1Cl
AddComponent,Add a carboxyl to the molecule Cc1cccc(F)c1-n1nc(C(=O)NC(C(=O)[O-])C(C)C)c2c1CCC2.,Cc1cccc(F)c1-n1nc(C(=O)NC(C(=O)[O-])C(C)(C)C(=O)O)c2c1CCC2
SubComponent,Substitute a CSCc1ccc(C(=O)c2ccc(F)cc2)cc1 in the molecule halo with a hydroxyl.,CSCc1ccc(C(=O)c2ccc(O)cc2)cc1
DelComponent,Remove a hydroxyl from the molecule Cc1ccc(C(=O)C(C)[NH+](C)C(C)(C)CO)cc1.,Cc1ccc(C(=O)C(C)[NH+](C)C(C)(C)C)cc1
LogP,Please optimize the molecule O=C([O-])CC(Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 to have a lower LogP value.,O=C([O-])CC(Cc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1
MR,Optimize the molecule Fc1cccc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(NCC7CCCC7)c6)cc45)[nH]c23)c1 to have a lower MR value.,Fc1ccnc2nc(-c3n[nH]c4cnc(-c5cncc(NCC6CCCC6)c5)cc34)[nH]c12
QED,Modify the molecule CCCN(c1cc[nH+]cc1)n1c(-c2ccncc2)c(CO)c2ccccc21 to have a lower QED value.,CC(=O)Cc1c(-c2ccncc2)n(N(CCC)c2cc[nH+]cc2)c2ccccc12
AtomNum,"The molecule has 31 carbon atoms, 3 oxygen atoms, and 6 nitrogen atoms.",COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5C)nc4c32)cc1OC
BondNum,"Please generate a molecule composed of 25 single bonds, 3 double bonds, 10 rotatable bonds, and 22 aromatic bonds.",O=C(NCc1ccccc1)C1C2CCC3(O2)C1C(=O)N(C(CO)Cc1ccccc1)C3C(=O)NCn1nnc2ccccc21
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, and 1 sulfide group.",COc1ccc(C=Cc2csc(N)n2)c(OC)c1
AddComponent,Please add a aldehyde to the molecule C=CCOC(=O)N1CCN(c2ccccc2)CC1.,C=CC(CC=O)OC(=O)N1CCN(c2ccccc2)CC1
SubComponent,Substitute a COc1ccc(C(c2ccc(F)cc2)N2CC[NH2+]CC2)cc1OC in the molecule halo with a carboxyl.,COc1ccc(C(c2ccc(C(=O)[OH])cc2)N2CC[NH2+]CC2)cc1OC
DelComponent,Modify the molecule CC(C)[NH2+]CCCCCCn1cc(C(F)(F)F)cn1 by removing a halo.,CC(C)[NH2+]CCCCCCn1cc(C(F)F)cn1
LogP,Please optimize the molecule C=C(C)c1ccc(C(CCC)S(=O)(=O)[O-])cc1 to have a lower LogP value.,C=C(C)c1ccc(C(CCC)S(=O)(=O)[O-])cc1N
MR,Modify the molecule Cc1ccc(C(=O)N2CC[NH+](Cc3nc4ccccc4n3Cc3ccccc3)CC2)cc1 to increase its MR value.,Cc1ccc(C(=O)N2CC[NH+](Cc3nc4ccccc4n3Cc3ccccc3)CC2C#N)cc1
QED,Modify the molecule CCOC(=O)Cc1ccc(C([NH3+])CO)cc1 to have a higher QED value.,CCOC(=O)Cc1ccc(C([NH3+])CO)cc1-c1ccccc1
AtomNum,"There is a molecule composed of 30 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 bromine atom.",CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1Cc1cccc(Br)c1
BondNum,"Please generate a molecule consisting 15 single bonds, 5 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",COC(=O)c1cccc([NH+]=C2SC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)N2C)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 halo group.",CC(C)Oc1ncnc2ccc(-c3ccc(F)cc3)cc12
AddComponent,Add a hydroxyl to the molecule Cc1cc(C[NH2+]CC2CC3C=CC2C3)on1.,Cc1noc(C[NH2+]CC2CC3C=CC2C3)c1O
SubComponent,Modify the molecule halo by substituting a Cc1[nH]c2ccccc2c1C=Nn1cnnc1SCc1c(F)cccc1Cl with a nitro.,Cc1[nH]c2ccccc2c1C=Nn1cnnc1SCc1c(Cl)cccc1NO
DelComponent,Modify the molecule CC(C)(C)C(=O)N1CCC(C(=O)NNS(C)(=O)=O)CC1 by removing a amide.,CC(C)(C)C(=O)N1CCC(NS(C)(=O)=O)C1
LogP,Modify the molecule CC1CCN(c2cc(C#N)c(=O)[nH]n2)CC1 to increase its LogP value.,CC1CCN(c2cc(S)c(=O)[nH]n2)CC1
MR,Please modify the molecule Cc1cccc(OC(C)C(=O)NCCn2nc(-c3sc(-c4cccs4)nc3C)ccc2=O)c1C to decrease its MR value.,Cc1cccc(OC(C)Cn2nc(-c3sc(-c4cccs4)nc3C)ccc2=O)c1C
QED,Please modify the molecule CCOc1cc(NC(=O)C(F)(OC)C(F)(F)F)c(OCC)cc1NC(=O)c1ccccc1 to increase its QED value.,CCOc1cc(NC(=O)C(C#N)(OC)C(F)(F)F)c(OCC)cc1NC(=O)c1ccccc1
AtomNum,"There is a molecule with 10 carbon atoms, 3 nitrogen atoms, and 1 iodine atom.",CC(C)n1c(N)nc2cc(I)ccc21
BondNum,"Please generate a molecule composed of 10 single bonds, 2 double bonds, 5 rotatable bonds, and 28 aromatic bonds.",CCOc1cccc(C(c2c([O-])c3cc(F)ccc3oc2=O)c2c([O-])c3cc(F)ccc3oc2=O)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, 1 amine group, and 1 halo group.",Nc1nccnc1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1
AddComponent,Please add a carboxyl to the molecule CCCC1CC1NS(=O)(=O)Cc1ccccc1C#N.,CCCC1CC1(NS(=O)(=O)Cc1ccccc1C#N)C(=O)O
SubComponent,Please substitute a halo in the molecule CCOC(=O)CN(Cc1ccccn1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 with a nitrile.,CCOC(=O)CN(Cc1ccccn1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)C#N)c1
DelComponent,Please remove a CCOC(=O)C(COC(=O)Cc1ccc(NC(=O)c2ccccc2-c2cccc(C(F)(F)F)c2)cc1)(C(=O)OCC)c1ccccc1 from the molecule halo.,CCOC(=O)C(COC(=O)Cc1ccc(NC(=O)c2ccccc2-c2cccc(C(F)F)c2)cc1)(C(=O)OCC)c1ccccc1
LogP,Modify the molecule COCCn1cc(C2CCCC[NH2+]2)cn1 to have a higher LogP value.,COCCn1cc(C2(c3ccccc3)CCCC[NH2+]2)cn1
MR,Please modify the molecule CCOC(=O)C[NH2+]Cc1c(N)cccc1F to increase its MR value.,CCOC(=O)C[NH2+]Cc1c(N)cccc1C(=O)[OH]
QED,Please modify the molecule CCNC(=O)NC1CCS(=O)(=O)C1 to decrease its QED value.,CCNC(=O)NC1CS(=O)(=O)CC1C(=O)O
AtomNum,"Please generate a molecule consisting 14 carbon atoms, and 4 oxygen atoms.",COc1cc(OC)cc(C(O)c2ccc(C)o2)c1
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(CC)c(CNC(=O)C(C)Sc2ccc(Cl)cc2)c1
FunctionalGroup,"Please generate a molecule with 2 aldehyde groups, 1 sulfoxide group, and 2 sulfone groups.",O=CCS(=O)(=O)OS(=O)OS(=O)(=O)CC=O
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C2([NH3+])COC2)cc1C.,Cc1ccc(C2([NH3+])COC2)cc1Cc1ccccc1
SubComponent,Please substitute a thiol in the molecule CC(C)C(C)C1CCCCCCCCCCCCCCCCC1CC(=O)CS with a hydroxyl.,CC(C)C(C)C1CCCCCCCCCCCCCCCCC1CC(=O)CO
DelComponent,Remove a benzene ring from the molecule COC(=O)OCc1cccc(C[Si](C)(C)C)c1.,COC(=O)OCC[Si](C)(C)C
LogP,Please optimize the molecule Clc1cc(Cl)cc(Nc2nccc(NCc3ccco3)n2)c1 to have a lower LogP value.,Nc1cnc(Nc2cc(Cl)cc(Cl)c2)nc1NCc1ccco1
MR,Modify the molecule Nc1cc(C(F)(F)F)[nH+]c2ccc(N3CCOCC3)cc12 to increase its MR value.,CC(=O)C(F)(F)c1cc(N)c2cc(N3CCOCC3)ccc2[nH+]1
QED,Modify the molecule Cc1ccccc1CN(CCC(=O)Nc1ccc(F)cc1)S(C)(=O)=O to have a higher QED value.,Cc1ccccc1CN(Cc1ccc(F)cc1)S(C)(=O)=O
AtomNum,"The molecule is composed of 14 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",O=C([O-])C[NH+]1CCN(Cc2cn3ccccc3[nH+]2)CC1
BondNum,"Please generate a molecule with 11 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(NOCC(O)c1ccccc1)C(C)(C)C
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 2 halo groups.",CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(Br)nc12
AddComponent,Modify the molecule CC(C)CCC(O[Si]CC[Si]OC(CCC(C)C)C(C)C)C(C)C by adding a carboxyl.,CC(C)CCC(O[Si]CC[Si]OC(CC(C(=O)O)C(C)C)C(C)C)C(C)C
SubComponent,Substitute a halo in the molecule [C-]#[N+]c1ccc(-n2cnc3c(=N)n(N=Cc4ccc(F)cc4F)cnc32)cc1 with a nitrile.,[C-]#[N+]c1ccc(-n2cnc3c(=N)n(N=Cc4ccc(C#N)cc4F)cnc32)cc1
DelComponent,Remove a hydroxyl from the molecule CC1(C)C2CCC1C(O)(c1cccc(-c3cccc(C4(O)CC5CCC4C5(C)C)n3)n1)C2.,CC1(C)C2CCC1C(c1cccc(-c3cccc(C4(O)CC5CCC4C5(C)C)n3)n1)C2
LogP,Modify the molecule O=C(CN(Cc1ccc(-n2ccnn2)cc1)S(=O)(=O)c1ccc(OCC2CC2)cc1)NO to have a higher LogP value.,O=C(CN(Cc1ccc(-n2ccnn2)cc1)S(=O)(=O)c1ccc(OCC2CC2)cc1)NS
MR,Please modify the molecule CC1CCCN(C(=O)CCc2cc(Br)cs2)C1C[NH3+] to decrease its MR value.,CC1CCCC(c2cc(Br)cs2)C1C[NH3+]
QED,Please optimize the molecule Cc1cc(C(=O)Nc2cccc(Cl)c2F)cc(NN)n1 to have a lower QED value.,Cc1cc(C(=O)Nc2cc(S)cc(Cl)c2F)cc(NN)n1
AtomNum,"The molecule is composed of 13 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",CC(C)(C(Br)c1ccc2c(c1)NC(=O)CO2)S(C)(=O)=O
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1SCc1cc(F)cc(C(C)=O)c1O
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 3 halo groups.",C[NH2+]C(COc1ccc(Cl)cc1)Cc1cc(F)ccc1Cl
AddComponent,Add a amine to the molecule Cc1ccc(Cl)cc1NC(=O)C1CCCN1C(=O)OC(C)(C)C.,Cc1ccc(Cl)cc1NC(=O)C1C(N)CCN1C(=O)OC(C)(C)C
SubComponent,Please substitute a hydroxyl in the molecule COCCN(CC([NH3+])(CO)c1ccccc1)C(C)COC with a halo.,COCCN(CC([NH3+])(CF)c1ccccc1)C(C)COC
DelComponent,Please remove a O=CN1CC[NH+](CCC(=O)N(Cc2ccccc2)c2ccccc2)CC1 from the molecule amide.,O=CN1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1
LogP,Please optimize the molecule CS(=O)(=O)c1cccc(NC2C[NH2+]C2)c1 to have a higher LogP value.,CS(=O)(=O)c1cc(NC2C[NH2+]C2)cc(-c2ccccc2)c1
MR,Modify the molecule C=CCOc1cc(F)cc2sc(C(N)=[NH+]C(=O)OC(C)(C)C)cc12 to increase its MR value.,C=CCOc1cccc2sc(C(N)=[NH+]C(=O)OC(C)(C)C)cc12
QED,Modify the molecule O=C(NCC(F)(F)C(F)F)c1cc(Cl)nc(Cl)c1 to increase its QED value.,N#CC(F)(CNC(=O)c1cc(Cl)nc(Cl)c1)C(F)F
AtomNum,"There is a molecule composed of 26 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",Cc1ccccc1-c1onc2c(N3CCCCC3)cc(Nc3ccc([S-])cc3SN)c(C=O)c12
BondNum,"The molecule is composed of 7 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1cc(C=O)c(CC(C)=O)cc1O
FunctionalGroup,"The molecule is composed of 2 amine groups, 2 halo groups, and 1 sulfide group.",CCCC(Nc1nc(NCC)c(Cl)cc1Cl)c1cccs1
AddComponent,Modify the molecule Cc1c(N=Cc2ccc(-c3ccc(Br)cc3C(=O)[O-])o2)c(=O)n(-c2ccccc2)n1C by adding a amine.,Cc1c(N=Cc2ccc(-c3ccc(Br)cc3C(=O)[O-])o2)c(=O)n(-c2cccc(N)c2)n1C
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)(O)c1c(F)ccc2c1OCCO2 with a carboxyl.,CC(C)(C(=O)[OH])c1c(F)ccc2c1OCCO2
DelComponent,Please remove a amine from the molecule C=C(NN1CC[NH+](Cc2cccc3ccccc23)CC1)c1ccco1.,C=C(c1ccco1)N1CC[NH+](Cc2cccc3ccccc23)CC1
LogP,Optimize the molecule Cc1nnc(C)n1-c1ccc(Cl)cc1 to have a lower LogP value.,Cc1nnc(C)n1-c1ccc(NO)cc1
MR,Optimize the molecule Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(Cc2ccccc2)C(=O)c2ccc3ccccc3c2)c1 to have a lower MR value.,Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)c2ccc3ccccc3c2)c1
QED,Modify the molecule O=C(C1CCC(O)CC1)N1CCC(F)(F)C1 to have a lower QED value.,ONC1CCC(C(=O)N2CCC(F)(F)C2)CC1
AtomNum,"The molecule is composed of 8 carbon atoms, 1 oxygen atom, and 1 chlorine atom.",CC(C)(C)C1=C(Cl)C(=O)C1
BondNum,"There is a molecule consisting of 5 single bonds, 2 double bonds, 3 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(-c2cccc(N(C)c3cc(=O)[nH]c(=O)[nH]3)c2)cc1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, 1 amide group, and 1 sulfide group.",Cc1nc(C)c(C(=O)NCC(O)CC(C)C)s1
AddComponent,Add a amine to the molecule CC1CCCC[NH+]1Cc1ccc(Br)cn1.,CC1CCCC[NH+]1Cc1ncc(Br)cc1N
SubComponent,Please substitute a halo in the molecule O=C(c1cccc(Cl)c1Cl)c1cncc2ccccc12 with a nitro.,ONc1cccc(C(=O)c2cncc3ccccc23)c1Cl
DelComponent,Please remove a O=C(Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1)Nc1ccccc1F from the molecule benzene ring.,O=C(Nc1ccccc1F)NN1CCN(C(=O)CCC2CCCC2)CC1
LogP,Optimize the molecule [NH3+]C(CC(=O)[O-])c1cc(F)c(C(=O)[O-])c(F)c1 to have a lower LogP value.,N#Cc1cc(C([NH3+])CC(=O)[O-])cc(F)c1C(=O)[O-]
MR,Please optimize the molecule O=C1C(=O)N(Cc2ccc(Cl)s2)c2ccc(Br)cc21 to have a higher MR value.,ONc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc32)s1
QED,Modify the molecule CC(C)CCc1cc(C(=O)Nc2nccs2)n(Cc2cccc([N+](=O)[O-])c2)c1 to increase its QED value.,CC(C)CCc1cc(C(=O)Nc2nccs2)n(C[N+](=O)[O-])c1
AtomNum,"Please generate a molecule with 10 carbon atoms, 1 nitrogen atom, 1 chlorine atom, and 2 silicon atoms.",CC[Si](CC)(CC)N1CCC[Si]1(C)Cl
BondNum,"There is a molecule with 15 single bonds, 2 double bonds, 1 triple bond, 8 rotatable bonds, and 18 aromatic bonds.",CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(I)cc1
FunctionalGroup,"The molecule consists of 5 hydroxyl groups, and 1 aldehyde group.",CCCCCCC=C(O)C1CC(CC(O)CO)CC1C(O)(O)C=O
AddComponent,Modify the molecule NNC(=O)c1occc1C[NH+]1CCc2ccccc2C1 by adding a benzene ring.,NNC(=O)c1occ(-c2ccccc2)c1C[NH+]1CCc2ccccc2C1
SubComponent,Please substitute a hydroxyl in the molecule CCC(CCO)CNC(=O)c1cccn1CC(F)F with a aldehyde.,CC(=O)CCC(CC)CNC(=O)c1cccn1CC(F)F
DelComponent,Remove a Cc1nc(C2CCCN2C(=O)C2CCCCC2)no1 from the molecule amide.,Cc1nc(C23CCCCC2CCC3)no1
LogP,Optimize the molecule O=C(NS(=O)(=O)c1cccc2ccccc12)C1CC12CCS(=O)(=O)CC2 to have a higher LogP value.,CC1(S(=O)(=O)c2cccc3ccccc23)CCS(=O)(=O)CC1
MR,Modify the molecule CCC[NH+]1CCN(C(=O)C2CCc3[nH+]cc(-c4ccc(F)cc4)n3C2)CC1 to decrease its MR value.,CCC[NH+]1CCN(C(=O)C2CCc3[nH+]cc(F)n3C2)CC1
QED,Modify the molecule c1ccn2cc(CNc3ccc4c(c3)OCO4)[nH+]c2c1 to decrease its QED value.,c1ccn2cc(Cc3ccc4c(c3)OCO4)[nH+]c2c1
AtomNum,"The molecule has 95 carbon atoms, 17 oxygen atoms, and 2 nitrogen atoms.",CC(=O)OC1C(OC2C(OC3C(OCc4ccc(Cn5cc[n+](C)c5)cc4)OC(COCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
BondNum,"The molecule consists of 10 single bonds, 1 double bond, 10 rotatable bonds, and 22 aromatic bonds.",O=c1[nH]c2nc(SCCCc3ccccc3)nc(SCCCc3ccccc3)c2[nH]1
FunctionalGroup,The molecule has and 1 benzene ring group.,C#CCOc1ccc(C[NH2+]CCCCCCC)cc1
AddComponent,Modify the molecule ClC(Cc1nc2ccccc2o1)C1CCCO1 by adding a hydroxyl.,OC1CCC(C(Cl)Cc2nc3ccccc3o2)O1
SubComponent,Substitute a CCCN1C(=O)C2(C(C#N)=C([NH3+])N(c3ccccc3Cl)C3=C2C(=O)CCC3)c2ccccc21 in the molecule halo with a aldehyde.,CC(=O)c1ccccc1N1C([NH3+])=C(C#N)C2(C(=O)N(CCC)c3ccccc32)C2=C1CCCC2=O
DelComponent,Please remove a halo from the molecule CC(Cn1ccnc(Cl)c1=O)C1CCC1.,CC(Cn1ccncc1=O)C1CCC1
LogP,Modify the molecule O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)NCCc1ccc(F)cc1 to decrease its LogP value.,O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)NCCc1ccccc1
MR,Modify the molecule O=C1CN(c2cccc(I)c2)C(=O)C(C2CCCCC2)N1 to increase its MR value.,O=C1CN(c2cccc(I)c2)C(=O)C(C2(C(=O)O)CCCCC2)N1
QED,Modify the molecule O=NN1CC(S)CC1C(=O)[O-] to increase its QED value.,CC(=O)C1CC(C(=O)[O-])N(N=O)C1
AtomNum,"The molecule consists of 22 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",Cc1ccc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c1
BondNum,"The molecule has 8 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(C(C)C([NH3+])CC(=O)[O-])cn1
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, and 1 amine group.",OCCC1COc2ccccc2N1
AddComponent,Please add a benzene ring to the molecule CCC#CCCC(=O)OCC.,CCC#CCCC(=O)OC(C)c1ccccc1
SubComponent,Modify the molecule halo by substituting a Ic1cccc2ncnn12 with a nitrile.,N#Cc1cccc2ncnn12
DelComponent,Modify the molecule benzene ring by removing a CCN1CCN(C(=O)Nc2ccccc2CC(=O)[O-])C1=O.,CCN1CCN(C(=O)NCC(=O)[O-])C1=O
LogP,Modify the molecule CC1(C(=O)[O-])CC[NH+](Cc2cccc(F)c2Br)CC1 to have a lower LogP value.,CC1(C(=O)[O-])CC[NH+](Cc2ccccc2Br)CC1
MR,Please optimize the molecule COc1ccc(C(C(=O)NCC(=O)NC2CCS(=O)(=O)C2)C(C)C)cc1 to have a higher MR value.,COc1ccc(C(C(=O)NCC(=O)NC2CCS(=O)(=O)C2)C(C)C)c(O)c1
QED,Please modify the molecule CC(=O)c1ccccc1C1CCCS(=O)(=O)C1 to increase its QED value.,CC(=O)c1ccccc1C1CS(=O)(=O)CCC1N
AtomNum,"The molecule has 16 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 bromine atom.",NC(=[NH+]O)c1c(Br)cccc1N1CCC2CCCCC2C1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(-c2nnc(NC(=O)CCc3ccccc3F)s2)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 halo group, 1 nitrile group, and 1 sulfone group.",Cc1cc(C)cc(N2C=C(C#N)S(=O)(=O)c3cc(F)ccc32)c1
AddComponent,Please add a benzene ring to the molecule O=C([O-])CCc1cc(-c2ccccc2)ccc1Cl.,O=C([O-])C(Cc1cc(-c2ccccc2)ccc1Cl)c1ccccc1
SubComponent,Substitute a CCOc1ccc(S(=O)(=O)NN=Cc2cc(Cl)c([O-])c(Cl)c2)cc1 in the molecule halo with a carboxyl.,CCOc1ccc(S(=O)(=O)NN=Cc2cc(Cl)c([O-])c(C(=O)[OH])c2)cc1
DelComponent,Please remove a halo from the molecule COC(=O)c1c(NC(=S)Nc2ccc3c(C(F)(F)F)cc(=O)oc3c2)sc(C)c1-c1ccccc1.,COC(=O)c1c(NC(=S)Nc2ccc3c(C(F)F)cc(=O)oc3c2)sc(C)c1-c1ccccc1
LogP,Optimize the molecule Cc1cc(C)cc(CC2(CO)CCOCC2)c1 to have a higher LogP value.,Cc1cc(C)cc(CC2(C)CCOCC2)c1
MR,Modify the molecule CC(OC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(Cl)cn1 to decrease its MR value.,CC(OC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccccn1
QED,Please modify the molecule CC(C)N(CC#N)CC(O)COCC1=CCC2CC1C2(C)C to decrease its QED value.,CC(C)N(CC#N)CC(Cl)COCC1=CCC2CC1C2(C)C
AtomNum,"There is a molecule composed of 22 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",CC(C)c1c(C(=O)N2CCC(C(=O)NC3CC3)CC2)cnn1-c1ccc(F)cc1
BondNum,"There is a molecule with 7 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C)c(C(=O)Nc2ccc(Cl)c(N)c2)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 amine group, and 4 halo groups.",Nc1cc(C(=O)NCC(F)(F)CO)c(Br)cc1F
AddComponent,Please add a aldehyde to the molecule CCCCCC(=O)NCC(C)(O)C[NH+]1CCOCC1.,CCCCCC(=O)NCC(C)(O)C[NH+]1CCOC(CC=O)C1
SubComponent,Substitute a ClCC1(Nc2ncncc2Br)CCOCC1 in the molecule halo with a thiol.,SCC1(Nc2ncncc2Br)CCOCC1
DelComponent,Modify the molecule benzene ring by removing a O=C(Nc1ccccc1Cl)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1.,O=C(NCl)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1
LogP,Modify the molecule O=C1CNc2ccccc2N1Cc1cccc(O)c1 to decrease its LogP value.,O=C1CNc2ccccc2N1CO
MR,Modify the molecule C=C(C)C1CCC2(CC(=O)N3CCCC3)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(C)C(=O)[O-])C(C)(C)C5CCC43C)C12 to decrease its MR value.,C=C(C)C1CCC2(C3CCC3)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(C)C(=O)[O-])C(C)(C)C5CCC43C)C12
QED,Please modify the molecule Cc1ccccc1CSc1cc(C(F)(F)F)nc(Cl)n1 to decrease its QED value.,CCSc1cc(C(F)(F)F)nc(Cl)n1
AtomNum,"Please generate a molecule with 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 fluorine atom.",CCCCOc1ccc(C(C)[NH2+]CC)c(F)c1
BondNum,"Please generate a molecule composed of 4 single bonds, 1 triple bond, 2 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C#N)nc(Nc2cncnc2)n1
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 sulfide group.",Cc1nc(NC(=O)C2COc3ccccc3O2)sc1C
AddComponent,Please add a benzene ring to the molecule CC[NH+]=C(NC1C2CCOC2C12CCCC2)N1CCC2(CCC2)C1.,CC[NH+]=C(NC1C2CCOC2C12CCC(c1ccccc1)C2)N1CCC2(CCC2)C1
SubComponent,Substitute a halo in the molecule O=Cc1cc(OCc2cccc(C(F)(F)F)c2)cc(OCC2CC2)c1 with a thiol.,O=Cc1cc(OCc2cccc(C(F)(F)S)c2)cc(OCC2CC2)c1
DelComponent,Remove a hydroxyl from the molecule Cc1ccc2occ(C=CC(O)c3ccccc3O)c(=O)c2c1.,Cc1ccc2occ(C=CC(O)c3ccccc3)c(=O)c2c1
LogP,Please optimize the molecule CN(Cc1ccccc1)C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1 to have a lower LogP value.,CN(C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1)C(O)c1ccccc1
MR,Please modify the molecule CCNC(=[NH+]CCCCCCC(=O)OCC)N(C)Cc1csc(C)n1 to increase its MR value.,CCOC(=O)CCCCCC[NH+]=C(NCCC#N)N(C)Cc1csc(C)n1
QED,Modify the molecule Nc1cc(NC(=O)c2cccc(=O)[nH]2)ccc1Cl to decrease its QED value.,Nc1cc(NC(=O)c2cccc(=O)[nH]2)c(O)cc1Cl
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CC1C(C(=O)[O-])CCN1C(=O)NCC(=O)N1CCCC1
BondNum,"There is a molecule consisting of 26 single bonds, 5 double bonds, and 17 rotatable bonds.",CC[NH2+]C(CC)(CC)C(=O)CN(CC(=O)[O-])C(=O)CNC(=O)C[NH2+]C(CC)(CC)C(C)=O
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",COc1ccc(CN(C)C(=O)Nc2cccnc2)cc1F
AddComponent,Modify the molecule O=C(N1CC2CCS(=O)(=O)C2C1)C1(Cc2cccc(F)c2)CCCCC1 by adding a amine.,NC12CN(C(=O)C3(Cc4cccc(F)c4)CCCCC3)CC1CCS2(=O)=O
SubComponent,Substitute a halo in the molecule Cc1ccc(-n2c(SCC(=O)Nc3c(F)cc(F)cc3Br)nc3sc4c(c3c2=O)CCCC4)cc1 with a nitro.,Cc1ccc(-n2c(SCC(=O)Nc3c(Br)cc(F)cc3NO)nc3sc4c(c3c2=O)CCCC4)cc1
DelComponent,Modify the molecule halo by removing a C=C(CCl)C(C(=O)[O-])N1C(=O)C2N=C(CC=C(C)OC(c3ccccc3)(c3ccccc3)c3ccccc3)SC21.,C=C(C)C(C(=O)[O-])N1C(=O)C2N=C(CC=C(C)OC(c3ccccc3)(c3ccccc3)c3ccccc3)SC21
LogP,Please modify the molecule COc1cccc(NC(=O)N2CC[NH+](CCCc3cnc4ccccc4c3)CC2)c1 to decrease its LogP value.,CONC(=O)N1CC[NH+](CCCc2cnc3ccccc3c2)CC1
MR,Please modify the molecule C[Si](C)OCC1(C(C)(C)C)C=C(S(=O)(=O)C(F)(F)F)CN1C(=O)OC(C)(C)C to decrease its MR value.,C[Si](C)OCC1(C(C)(C)C)C=C(S(=O)(=O)C(F)F)CN1C(=O)OC(C)(C)C
QED,Optimize the molecule Cc1c(C(=O)C(F)(F)F)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 to have a higher QED value.,Cc1c(C(=O)C(O)(F)F)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
AtomNum,"The molecule contains 21 carbon atoms, and 5 nitrogen atoms.",N#Cc1ccc(CC([NH3+])c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1
BondNum,"There is a molecule composed of 12 single bonds, 4 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",CCOc1ccc(N(CC(=O)NN=Cc2ccccn2)S(=O)(=O)c2ccc(C)cc2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 amine group.",COc1ccc(OC)c(C(=O)Nc2cc(C)c(N)cn2)c1
AddComponent,Please add a thiol to the molecule COc1ccc2cc(C(C)[NH2+]C3COC3)ccc2c1.,COc1ccc2cc(C(C)[NH2+]C3COC3)cc(S)c2c1
SubComponent,Substitute a hydroxyl in the molecule CC[NH2+]C(CCO)COC1CCC1 with a carboxyl.,CC[NH2+]C(CCC(=O)[OH])COC1CCC1
DelComponent,Modify the molecule benzene ring by removing a N=C1CC(=O)C(c2ccccc2)=C(c2ccccc2)C1=O.,N=C1CC(=O)C(c2ccccc2)=CC1=O
LogP,Optimize the molecule CC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1c(F)cccc1Cl to have a lower LogP value.,CC(C)(C)NC(=O)C(C)(O)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1c(F)cccc1Cl
MR,Optimize the molecule CC(CC(=O)[O-])[NH+]1CCc2nc(-c3ccc(OCc4ccc(F)c(F)c4)cc3)ncc2C1 to have a higher MR value.,CC(CC(=O)[O-])[NH+]1CCc2nc(-c3ccc(OCc4ccc(S)c(F)c4)cc3)ncc2C1
QED,Please optimize the molecule CCCCCCN(C(=O)C(CO)NC(=O)OC(C)(C)C)C(C(=O)NC(C)C)c1cccc(C)c1O to have a higher QED value.,CCCCCCN(C(=O)C(C)NC(=O)OC(C)(C)C)C(C(=O)NC(C)C)c1cccc(C)c1O
AtomNum,"Please generate a molecule consisting 38 carbon atoms, 4 oxygen atoms, 7 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",CCC(C)C([NH3+])C(=O)N(CCOc1ccc(-c2c(C#N)c(SCc3csc(-c4ccc(Cl)cc4)n3)nc(N3CCCC3)c2C#N)cc1)C(C)C(=O)[O-]
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CN(CCCC(=O)[O-])C(=O)c1ccno1
FunctionalGroup,Please generate a molecule composed of and 1 amine group.,CC[NH+](CC)CCCCCNc1nc(-c2ccc3ccccc3c2)nc2cc(OC)c(OC)cc12
AddComponent,Modify the molecule CCCCCCOc1ccc(-c2nc3c(-c4ccc(C=C(C#N)C(=O)[O-])cc4)c4nc(-c5ccc(OCCCCCC)cc5)c(-c5ccc(OCCCCCC)cc5)nc4c(-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)c3nc2-c2ccc(OCCCCCC)cc2)cc1 by adding a hydroxyl.,CCCCCCOc1ccc(-c2nc3c(-c4ccc(C=C(C#N)C(=O)[O-])cc4)c4nc(-c5ccc(OCCCCCC)cc5)c(-c5ccc(OCCCCCC)cc5)nc4c(-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4O)c3nc2-c2ccc(OCCCCCC)cc2)cc1
SubComponent,Substitute a halo in the molecule CC(C)Cn1c(SCCS(C)(=O)=O)nnc1-c1ccccc1F with a thiol.,CC(C)Cn1c(SCCS(C)(=O)=O)nnc1-c1ccccc1S
DelComponent,Remove a halo from the molecule CC(=O)Nc1nc(=O)n(C2OC(COC(C)=O)C(Br)C2OC(C)=O)cc1Cc1ccccc1.,CC(=O)Nc1nc(=O)n(C2OC(COC(C)=O)CC2OC(C)=O)cc1Cc1ccccc1
LogP,Modify the molecule CC(C)n1cc(Br)cc1C(=O)Nc1nnn(C)n1 to have a lower LogP value.,CC(C)n1cc(NO)cc1C(=O)Nc1nnn(C)n1
MR,Optimize the molecule Cc1nc(N=Nc2ccccc2)c(C[P+]([O-])([O-])O)c(C=O)c1O to have a lower MR value.,Cc1nc(N=N)c(C[P+]([O-])([O-])O)c(C=O)c1O
QED,Optimize the molecule C[NH2+]C(CSC(C)C)c1cc(OC)cc(OC)c1 to have a lower QED value.,C[NH2+]C(CSC(C)CO)c1cc(OC)cc(OC)c1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC1CCN(C(=O)N2c3ccccc3CC2C(=O)[O-])C1
BondNum,"Please generate a molecule composed of 12 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",C[NH2+]CCCc1cc(C2CCCCO2)n[nH]1
FunctionalGroup,There is a molecule composed of and 1 aldehyde group.,CCC1(C)CC(C)(C)C2=C1CCCC2C=O
AddComponent,Modify the molecule CC1CC[NH+](CCCCNC(=O)NCCOc2ccccc2-c2ccccc2)CC1 by adding a benzene ring.,CC1CC[NH+](CCC(CNC(=O)NCCOc2ccccc2-c2ccccc2)c2ccccc2)CC1
SubComponent,Substitute a hydroxyl in the molecule CCC=CCCCCC(C=Cc1ccccc1)CO with a nitro.,CCC=CCCCCC(C=Cc1ccccc1)CNO
DelComponent,Please remove a amine from the molecule CNc1c(Cl)ncnc1N1CCN(c2ccc3nncn3n2)CC1.,Cc1c(Cl)ncnc1N1CCN(c2ccc3nncn3n2)CC1
LogP,Optimize the molecule CC(=O)c1cc(C(=O)NC(CC(=O)[O-])c2ccc(C)cc2)n(C)c1 to have a lower LogP value.,CC(=O)c1cc(C(=O)NC(C)CC(=O)[O-])n(C)c1
MR,Please modify the molecule C#CCNS(=O)(=O)c1cccc(C(=O)NC(C)c2cc(OC)c(OC)cc2C)c1 to increase its MR value.,C#CCNS(=O)(=O)c1ccc(N)c(C(=O)NC(C)c2cc(OC)c(OC)cc2C)c1
QED,Modify the molecule Cn1cc[nH+]c1CC1CCN(c2noc(-c3ccccc3)n2)CC1 to decrease its QED value.,Cn1cc[nH+]c1CC1CCN(c2noc(-c3ccccc3)n2)C(C#N)C1
AtomNum,"The molecule contains 17 carbon atoms, 3 oxygen atoms, and 7 nitrogen atoms.",CCc1c(C)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N(C)CCC#N)nc1=O
BondNum,"The molecule contains 8 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCNC(=O)c1ccccc1C(=O)c1ccc(CC)cc1
FunctionalGroup,"There is a molecule with 4 benzene ring groups, and 1 ester group.",CC(C)Cc1ccc(CN(Cc2cccc(C(=O)Oc3ccccc3)c2)c2ccc(CC(C)C)cc2)cc1
AddComponent,Please add a hydroxyl to the molecule CCOc1ncccc1C(=O)OCC(=O)NC(C)c1cccc(Cl)c1.,CCOc1ncccc1C(=O)OC(O)C(=O)NC(C)c1cccc(Cl)c1
SubComponent,Substitute a C[NH2+]CCC(=O)Nc1cccc(SC(F)F)c1 in the molecule halo with a aldehyde.,CC(=O)C(F)Sc1cccc(NC(=O)CC[NH2+]C)c1
DelComponent,Please remove a halo from the molecule O=C(Nc1cccc2ncccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.,O=C(Nc1cccc2ncccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)C(F)(F)F
LogP,Please optimize the molecule Cc1nc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc23)c2c(N)ncc(C3=CC[NH+](C)CC3)n12 to have a lower LogP value.,Cc1nc(-c2ccc(NC(=O)NC(F)(F)F)c3ccccc23)c2c(N)ncc(C3=CC[NH+](C)CC3)n12
MR,Please optimize the molecule Cc1nnc(N2CCCC(C)C2)c(C(N)=[NH+]O)c1C to have a lower MR value.,Cc1nnc(N2CCCC(C)C2)c(C=[NH+]O)c1C
QED,Please optimize the molecule Cc1ccc(F)cc1NC(=O)c1cccc(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)CC2)c1C to have a higher QED value.,Cc1ccc(F)cc1NC(=O)c1cccc(NC(=O)C2CC[NH+](CC(=O)N(Cl)C(=O)N(C)C)CC2)c1C
AtomNum,"Please generate a molecule with 48 carbon atoms, 2 nitrogen atoms, and 1 bromine atom.",Brc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc43)cc2)cc1
BondNum,"The molecule is composed of 16 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)OC(=O)N1CCCCC1(C[NH3+])c1ccccc1F
FunctionalGroup,"The molecule contains 1 amide group, and 1 halo group.",CN(CCc1ccncc1)C(=O)COCc1nc2ccc(F)cc2[nH]1
AddComponent,Please add a aldehyde to the molecule COCC(C)CNC(=O)C1CNc2ccccc2O1.,CC(CNC(=O)C1CNc2ccccc2O1)COCCC=O
SubComponent,Please substitute a hydroxyl in the molecule CCCN(C)C(=O)c1onc(-c2ccc(Cl)cc2)c1C(C)O with a carboxyl.,CCCN(C)C(=O)c1onc(-c2ccc(Cl)cc2)c1C(C)C(=O)[OH]
DelComponent,Modify the molecule C=CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CC[NH+](CC2CN(C(=O)CC3CC3)CC2(O)c2ccccc2)CC1 by removing a amine.,C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC2CN(C(=O)CC3CC3)CC2(O)c2ccccc2)CC1
LogP,Modify the molecule CC(C)CCCOc1ccc(Cl)cc1CCl to have a lower LogP value.,CC(C)CCCOc1ccc(NO)cc1CCl
MR,Please optimize the molecule Cn1cc(C[NH+]2CCN(C(=O)c3cccc(COCC(F)(F)F)c3)CC2)cn1 to have a higher MR value.,O=C(c1cccc(COCC(F)(F)F)c1)N1CC[NH+](Cc2cnn(CO)c2)CC1
QED,Please modify the molecule CC1CCCC1(C(=O)[O-])C1CC[NH2+]C(c2ccc(C(F)(F)F)cc2)C1 to increase its QED value.,CC1CCCC1(C(=O)[O-])C1CC[NH2+]C(c2ccc(C(F)F)cc2)C1
AtomNum,"There is a molecule composed of 25 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CC(C)CNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)cc1
BondNum,"The molecule consists of 18 single bonds, and 6 rotatable bonds.",CC(CC[NH3+])CCC[NH+]1CCOC2CCCC21
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 sulfone group.",CCc1ccc(S(=O)(=O)N2CCC([NH3+])C(C)(C)C2)cc1CC
AddComponent,Modify the molecule C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N1CCC(NC(=O)OC(C)(C)C)C1 by adding a carboxyl.,C[NH+]=C(NC(C(=O)O)C(=O)N1CCc2ccccc2C1)N1CCC(NC(=O)OC(C)(C)C)C1
SubComponent,Modify the molecule halo by substituting a CCOC(=O)C1CCCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])C1 with a thiol.,CCOC(=O)C1CCCN(c2ccc(NC(=O)c3ccccc3S)cc2C(=O)[O-])C1
DelComponent,Remove a benzene ring from the molecule O=C(c1cccc(-n2ccnn2)c1)N1CCCC1C1CCOCC1.,O=C(N1CCCC1C1CCOCC1)n1ccnn1
LogP,Please modify the molecule Cc1cccc(-n2nnc(C(=O)N(C)Cc3cc(C(=O)[O-])c(C)o3)c2C)c1 to increase its LogP value.,Cc1cccc(-n2nnc(C(=O)N(C)Cc3cc(C(=O)[O-])c(C)o3)c2C)c1-c1ccccc1
MR,Modify the molecule CNC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3cc(Cl)ccc3C(=O)NC3CCCC3)CC2)c1 to decrease its MR value.,CNC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3C(=O)NC3CCCC3)CC2)c1
QED,Modify the molecule CCC[NH2+]C(CC(C)C(C)(C)C)c1cc(Cl)ccc1Cl to decrease its QED value.,CCC[NH2+]C(CC(C)C(C)(C)C)c1cc(S)ccc1Cl
AtomNum,"There is a molecule composed of 23 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",C=C(C=Cc1ccccc1)C1CC(C(C)C)N1S(=O)(=O)c1ccc(C)cc1
BondNum,"There is a molecule with 17 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(N2C(=O)C(c3ccc(Cl)cc3Cl)=C([NH+]3CCOCC3)C2=O)cc1
FunctionalGroup,"The molecule consists of 2 amide groups, and 1 amine group.",CC(Nc1ccc2c(c1)C(=O)N(C)C2=O)c1cnccn1
AddComponent,Modify the molecule CO[SiH2]CCc1ccc(S(=O)(=O)[O-])cc1 by adding a nitrile.,CO[SiH2]CCc1ccc(S(=O)(=O)[O-])cc1C#N
SubComponent,Substitute a hydroxyl in the molecule Nc1ncnc2c1ncn2C1OC2COP(=O)([O-])OC3C(COP(=O)([O-])OC1C2O)OC(n1cnc2c(=O)n4ccnc4[nH]c21)C3O with a thiol.,Nc1ncnc2c1ncn2C1OC2COP(=O)([O-])OC3C(COP(=O)([O-])OC1C2S)OC(n1cnc2c(=O)n4ccnc4[nH]c21)C3O
DelComponent,Remove a amide from the molecule CCc1cccc(OCC(=O)NC2CCN(C(=O)NCc3ccc(OC)cc3)CC2)c1.,CCc1cccc(OC2CCN(C(=O)NCc3ccc(OC)cc3)CC2)c1
LogP,Please modify the molecule COC(=O)C=CN1C(=O)c2ccccc2N(C)c2ccc(C(N)=O)cc21 to decrease its LogP value.,COC(=O)C=C(O)N1C(=O)c2ccccc2N(C)c2ccc(C(N)=O)cc21
MR,Optimize the molecule COc1ccc(OCCN(C)C(=O)C2CC(=O)NC(CC(C)C)C(=O)N(C)C(CC(C)C)COc3ccccc3C(=O)N2)cc1 to have a lower MR value.,COc1ccc(OCCN(C)C(=O)C2CC(=O)N(CC(C)C)CC(CC(C)C)COc3ccccc3C(=O)N2)cc1
QED,Modify the molecule Cc1cc(C2CNNC2C2CCCN2S(=O)(=O)c2ccc(F)cc2)on1 to increase its QED value.,Cc1cc(C2CNC2C2CCCN2S(=O)(=O)c2ccc(F)cc2)on1
AtomNum,"There is a molecule composed of 11 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",Nc1cc(C(=O)Nc2cncnc2)c(Br)cc1F
BondNum,"The molecule contains 13 single bonds, 2 double bonds, 1 triple bond, 4 rotatable bonds, and 18 aromatic bonds.",COc1ccc(C2CC(=O)c3cc(C#N)c(=O)n(-c4ccc(C)cc4)c3C2)cc1OC
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amide group.",C#CCC([NH3+])C(=O)NC(C)c1ccc(C)cc1
AddComponent,Please add a hydroxyl to the molecule CC(=O)N1CCN(C(=O)c2ccnc(C(=O)N3CCCC(C)C3)c2)CC1.,CC(=O)N1CCN(C(=O)c2cc(C(=O)N3CCCC(C)C3)ncc2O)CC1
SubComponent,Please substitute a CC(C)(C)[NH+]1CCN(CC([NH3+])(CO)C2CC2)CC1 in the molecule hydroxyl with a halo.,CC(C)(C)[NH+]1CCN(CC([NH3+])(CCl)C2CC2)CC1
DelComponent,Please remove a halo from the molecule COC1CNc2ccc(Br)cc2NC1=O.,COC1CNc2ccccc2NC1=O
LogP,Optimize the molecule CC(C)(C)[NH2+]Cc1nccn1CCSc1ccccc1 to have a lower LogP value.,CC(C)(C)[NH2+]Cc1nccn1CCS
MR,Please modify the molecule C[NH+]=C(NCCc1ccc(O)cc1)N1CCN(c2nccn(C)c2=O)CC1 to increase its MR value.,C[NH+]=C(NCCc1ccc(O)cc1)N1CCN(c2nccn(C)c2=O)C(N)C1
QED,Modify the molecule O=C(Nc1cc(F)ccc1F)OCCCc1ccccc1 to decrease its QED value.,O=CCc1cc(F)cc(NC(=O)OCCCc2ccccc2)c1F
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC(C)(C)c1ccccc1NC(=O)c1cnc(NC2CCCC2)nc1
BondNum,"Please generate a molecule composed of 12 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",C[NH+]=C(NCCc1cc(F)ccc1F)N1CCc2ccccc21
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, 1 amide group, 1 amine group, 1 thioether group, and 1 thiol group.",CCC(C)CC=CCC(=O)N(C(C)C)C(CCO)([NH2+]CC(N)CS)C(=O)[O-]
AddComponent,Please add a amine to the molecule Cc1c(NC(=O)c2noc3c2CCCc2cc(OC(F)(F)F)ccc2-3)c(=O)n(-c2ccccc2)n1C.,Cc1c(NC(=O)c2noc3c2C(N)CCc2cc(OC(F)(F)F)ccc2-3)c(=O)n(-c2ccccc2)n1C
SubComponent,Please substitute a O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 in the molecule halo with a hydroxyl.,O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(O)cc1)CC2
DelComponent,Remove a hydroxyl from the molecule C=CCOC12Oc3ccc(OC(=O)NCCCCCCCCCCCC)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC)CC1N(C)C(=O)CCCCCCCCCCC)C32.,C=CCOC12Oc3ccc(OC(=O)NCCCCCCCCCCCC)cc3C3C(CCCCO)C(CCCC)C=C(C(=NOC)CC1N(C)C(=O)CCCCCCCCCCC)C32
LogP,Please optimize the molecule CC(C)C(C)NC(=O)C1CCN(C(=O)c2ccncc2)CC1 to have a higher LogP value.,CC(C)C1(C)CCN(C(=O)c2ccncc2)CC1
MR,Please optimize the molecule CCOc1ccc(C([O-])=C2C(=O)C(=O)N(Cc3ccc(F)cc3)C2c2ccc(C)o2)cc1C(C)C to have a higher MR value.,CCOc1ccc(C([O-])=C2C(=O)C(=O)N(Cc3ccc(C#N)cc3)C2c2ccc(C)o2)cc1C(C)C
QED,Modify the molecule O=C(NCCc1[nH+]cc2ccccn12)C(Cc1cccnc1)c1ccc(F)cc1 to have a higher QED value.,O=C(NCCc1[nH+]cc2ccccn12)C(Cc1cccnc1)c1ccccc1
AtomNum,"There is a molecule composed of 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC(=O)Nc1ccc(NC(=O)Nc2ccc(COC(C)C)cc2)cc1
BondNum,"The molecule has 21 single bonds, 3 double bonds, 8 rotatable bonds, and 10 aromatic bonds.",CC(Oc1nc(C(C=NC(C)(C)CO)=C[NH3+])cc2ncn(C3CC3)c12)C1CNC(=O)C1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 amide groups.",CNC(=O)CNC(=O)c1cc2occc2n1Cc1ccc(C)cc1
AddComponent,Add a hydroxyl to the molecule CCOC(=O)CNc1c(F)cccc1Br.,CCOC(=O)CNc1c(F)cc(O)cc1Br
SubComponent,Please substitute a halo in the molecule COc1ccc(CNc2c(C)cc(Br)cc2C)cc1O with a nitrile.,COc1ccc(CNc2c(C)cc(C#N)cc2C)cc1O
DelComponent,Please remove a amide from the molecule COC1CCC(NC(=O)c2cc(C)cc3cn[nH]c23)C1.,COC1CCC(c23[nH]ncc2cc(C)c-3)C1
LogP,Modify the molecule CCCC([NH3+])C(=O)Nc1ccc(OCc2ccccc2)cc1C to decrease its LogP value.,CCCC([NH3+])C(=O)Nc1ccc(OCc2ccccc2CC=O)cc1C
MR,Optimize the molecule Cc1cc(C)cc(C(O)COc2ccc(C#N)cc2[N+](=O)[O-])c1 to have a higher MR value.,Cc1cc(C)cc(C(O)COc2ccc(NO)cc2[N+](=O)[O-])c1
QED,Please modify the molecule COc1ccc(C2CC(=O)N(CC(=O)Nc3nnc(-c4ccncc4)s3)C2)cc1OC1CCCO1 to increase its QED value.,COc1ccc(C2CC2C(=O)Nc2nnc(-c3ccncc3)s2)cc1OC1CCCO1
AtomNum,"The molecule contains 29 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",NC(=[NH2+])c1c(-c2ccc(Oc3ccccc3)cc2)cc(N2CCN(C(=O)C3=CCCC=C3)CC2)nc1N
BondNum,"Please generate a molecule composed of 7 single bonds, 5 rotatable bonds, and 15 aromatic bonds.",CCN(Cc1ccccc1)c1nc2sccn2c1C[NH3+]
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amine group.",CCCn1cnnc1CCCNc1ccccc1
AddComponent,Add a benzene ring to the molecule CN(CCN1CCCC1)CC[NH+](C)CCN(C)C(=O)CNC(=O)OC(C)(C)C.,CN(CCN1CCCC1)CC[NH+](C)CCN(C)C(=O)CNC(=O)OC(C)(C)Cc1ccccc1
SubComponent,Modify the molecule COc1ccc(OCC(O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCCc2ccccc2)c1 by substituting a hydroxyl with a aldehyde.,CC(=O)C(COc1ccc(OC)cc1C[NH2+]CCCc1ccccc1)C[NH+]1CCC(O)CC1
DelComponent,Remove a benzene ring from the molecule COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc(I)cc3)cc2OC)cc1.,COC(=O)Oc1ccc(C=C(C#N)C(=O)Nc2ccc(I)cc2)cc1OC
LogP,Optimize the molecule Cn1ccc(CC2CC(C(C)(C)C)CCC2Br)n1 to have a lower LogP value.,CC(=O)C1CCC(C(C)(C)C)CC1Cc1ccn(C)n1
MR,Optimize the molecule N#Cc1ccc(NC(CO)c2ccccc2)c(Br)c1 to have a lower MR value.,N#Cc1ccc(NC(CO)c2ccccc2)cc1
QED,Optimize the molecule CCOc1ccc(F)c(C(=O)N2CCC(O)CC2)c1F to have a lower QED value.,CCOc1ccc(F)c(C(=O)N2CCC(Br)CC2)c1F
AtomNum,"There is a molecule composed of 9 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",COC[NH+](C)CCCC(C)C
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, and 6 aromatic bonds.",CC(C)(C)N1Cc2cc(Br)ccc2OCC1=O
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 thioether group, and 2 sulfide groups.",CCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3cccc(O)c3)nc2s1
AddComponent,Please add a aldehyde to the molecule [NH3+]Cc1cccc(F)c1N(Cc1ccsc1)C1CC1.,[NH3+]Cc1cccc(F)c1N(C1CC1)C(CC=O)c1ccsc1
SubComponent,Modify the molecule halo by substituting a COC(C)C[NH2+]Cc1cc(Br)cc2c1OCC2 with a aldehyde.,CC(=O)c1cc2c(c(C[NH2+]CC(C)OC)c1)OCC2
DelComponent,Remove a hydroxyl from the molecule Cc1ccc(O)c(C(C)[NH+]2CC3C[NH2+]CC3C2)c1.,Cc1cccc(C(C)[NH+]2CC3C[NH2+]CC3C2)c1
LogP,Please modify the molecule CC(C)(C)OC(=O)N1CCCC1C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)csc12 to decrease its LogP value.,CC(C)(C)OC(=O)N1CCCC1C#Cc1cnc(N)c2c(-c3ccc(NC(=O)N(F)C(F)(F)F)cc3)csc12
MR,Please optimize the molecule COc1ccc(Cl)cc1C(=O)C1CCC[NH+](Cc2ccc(OCCO)cc2)C1 to have a higher MR value.,CC(=O)CCOc1ccc(C[NH+]2CCCC(C(=O)c3cc(Cl)ccc3OC)C2)cc1
QED,Please modify the molecule Cc1cc(C#N)ccc1C(=O)NC1CCCCCC1CO to decrease its QED value.,Cc1cc(Br)ccc1C(=O)NC1CCCCCC1CO
AtomNum,"Please generate a molecule with 11 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 sulfur atom.",CCc1nnc(-n2cnc(C[NH2+]CCOC)c2)s1
BondNum,"Please generate a molecule consisting 12 single bonds, 4 rotatable bonds, and 15 aromatic bonds.",Cc1nnc2ccc(N3CC(Cn4cc(C5CC5)nn4)C3)nn12
FunctionalGroup,"There is a molecule consisting of 1 amine group, and 1 nitrile group.",COCCn1cc(Nc2nc(C)ccc2C#N)cn1
AddComponent,Please add a benzene ring to the molecule Clc1cnc(N2CC[NH+](Cc3nnnn3C3CC3)CC2)c(Cl)c1.,Clc1cnc(N2CC[NH+](C(c3ccccc3)c3nnnn3C3CC3)CC2)c(Cl)c1
SubComponent,Modify the molecule halo by substituting a COc1ccc(C=CC(=O)N(C)CC(=O)NC(C)C)cc1F with a nitro.,COc1ccc(C=CC(=O)N(C)CC(=O)NC(C)C)cc1NO
DelComponent,Modify the molecule halo by removing a O=C(NC1CC[NH+](CC2CCCC2)CC1)C1(c2cccc(F)c2)CCCC1.,O=C(NC1CC[NH+](CC2CCCC2)CC1)C1(c2ccccc2)CCCC1
LogP,Modify the molecule CCC1(C[NH+]2CCc3sccc3C2)CCC[NH2+]C1 to have a lower LogP value.,CCC1(C[NH+]2CCc3sccc3C2C(=O)O)CCC[NH2+]C1
MR,Optimize the molecule Cc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)NCCSCc2nc[nH]c2C)o1 to have a lower MR value.,Cc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CCSCc2nc[nH]c2C)o1
QED,Modify the molecule O=C(C=Cc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)C1CCC2c2ccccc21 to increase its QED value.,O=C(C=CN1CCOCC1)c1ccc2c(c1)C1CCC2c2ccccc21
AtomNum,"The molecule is composed of 17 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1cccn2c(=O)c(C(=O)N3CCCC4C(=O)NCC43)cnc12
BondNum,"The molecule consists of 22 single bonds, 4 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",CCN1c2cc(Cl)c(C=C3SC(=[NH+]c4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)cc2C(C)CC1(C)C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 2 halo groups.",O=C(c1cc(Cl)cc(Cl)c1)N1C2CCC1CC(O)C2
AddComponent,Add a benzene ring to the molecule CCc1cc(C(=O)C[NH2+]C)c(OC)c(Br)c1OC.,C[NH2+]CC(=O)c1cc(C(C)c2ccccc2)c(OC)c(Br)c1OC
SubComponent,Please substitute a halo in the molecule Cc1nc(NC(=O)C2CC[NH2+]C(C)C2)sc1Cc1cccc(Cl)c1 with a carboxyl.,Cc1nc(NC(=O)C2CC[NH2+]C(C)C2)sc1Cc1cccc(C(=O)[OH])c1
DelComponent,Please remove a amide from the molecule CC(=O)CSC1CC(=O)N(CC2CCC(C(C)=O)CC2)C1=O.,CC(=O)CSCC(=O)CC1CCC(C(C)=O)CC1
LogP,Optimize the molecule O=C(CCn1ccc2ccccc21)NCCc1cc(F)cc2c1OCOC2 to have a lower LogP value.,ONc1cc(CCNC(=O)CCn2ccc3ccccc32)c2c(c1)COCO2
MR,Modify the molecule Cc1ccc(F)cc1C(=O)N(CC(=O)[O-])c1ccccc1 to increase its MR value.,CC(=O)c1ccc(C)c(C(=O)N(CC(=O)[O-])c2ccccc2)c1
QED,Modify the molecule CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1 to increase its QED value.,CN(C)C(=O)Cc1cncc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1
AtomNum,"There is a molecule consisting of 23 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",O=C1NN(c2ccccc2)C(=O)C1=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",CCOC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1cccc(N(C)C)c1
FunctionalGroup,"Please generate a molecule with 1 nitro group, and 1 sulfone group.",O=[N+]([O-])CC1CCS(=O)(=O)CC1
AddComponent,Modify the molecule Cc1cccc2[nH]c(=O)n(C3CCC[NH2+]3)c(=O)c12 by adding a carboxyl.,Cc1cccc2[nH]c(=O)n(C3CCC(C(=O)O)[NH2+]3)c(=O)c12
SubComponent,Substitute a hydroxyl in the molecule CCCCCCCCCCCCOc1cccc(C2=C([O-])C(O)(Cc3ccccc3)N(C)C2=O)c1 with a aldehyde.,CC(=O)C1(Cc2ccccc2)C([O-])=C(c2cccc(OCCCCCCCCCCCC)c2)C(=O)N1C
DelComponent,Remove a Cc1cc(C)nc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Br)c(C)c3)C2=O)n1 from the molecule nitrile.,Cc1cc(C)nc(SC2=C(Nc3ccccc3)C(=O)N(c3ccc(Br)c(C)c3)C2=O)n1
LogP,Please modify the molecule [NH3+]C=CC(=Nc1ccc(F)cc1F)c1cc(O)c2c(c1)C1(CCC1)C(=O)N2 to decrease its LogP value.,[NH3+]C=CC(=Nc1ccccc1F)c1cc(O)c2c(c1)C1(CCC1)C(=O)N2
MR,Modify the molecule Cc1ccc(C)c(Oc2cc(Cl)nc3ncnn23)c1 to have a lower MR value.,CCOc1cc(Cl)nc2ncnn12
QED,Modify the molecule [NH3+]C1CCN(c2n[nH]c(-c3ccc(Cl)cc3F)n2)C1 to decrease its QED value.,[NH3+]C1(O)CCN(c2n[nH]c(-c3ccc(Cl)cc3F)n2)C1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(CNc2cc(C(O)C[NH2+]C(C)(C)C)ccc2O)cc1
BondNum,"The molecule contains 9 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C(NCC(O)C(=O)[O-])c1ccc(I)c(Cl)c1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 ketone groups, and 4 halo groups.",CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3OCC(F)(F)C(F)F)cc2c2cc(C(=O)C(C)=NOC(C)=O)c3ccccc3c21
AddComponent,Modify the molecule O=[N+]([O-])c1c(Nc2cccc(C(F)(F)F)c2)ncnc1Nc1nc2ccccc2s1 by adding a benzene ring.,O=[N+]([O-])c1c(Nc2cccc(C(F)(F)F)c2)ncnc1Nc1nc2c(-c3ccccc3)cccc2s1
SubComponent,Substitute a halo in the molecule O=C(N1CCC([NH+]2CCCCC2)CC1)C1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 with a nitrile.,N#Cc1cc(F)cc(C2CCCC(C3(C(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)N2S(=O)(=O)c2ccc(Cl)cc2)c1
DelComponent,Remove a benzene ring from the molecule COc1ccccc1NC(=O)CSc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.,CONC(=O)CSc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
LogP,Modify the molecule CCC(C)C(=O)Nc1ccc(Cl)c(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)N4CCC(C)CC4)ccc3C)CC2)c1 to decrease its LogP value.,CCC(C)C(=O)Nc1ccc(S)c(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)N4CCC(C)CC4)ccc3C)CC2)c1
MR,Please optimize the molecule CCOc1c(Br)cc(Br)cc1C[NH2+]C(CCO)C(C)(C)C to have a lower MR value.,CCOc1c(Br)cc(Br)cc1C[NH2+]C(CC)C(C)(C)C
QED,Modify the molecule CC(=O)N1c2ccc(NC(=O)C(F)(F)F)cc2C(C)(c2ccc(C)cc2)CC1(C)C to have a lower QED value.,CC(=O)C(F)(F)C(=O)Nc1ccc2c(c1)C(C)(c1ccc(C)cc1)CC(C)(C)N2C(C)=O
AtomNum,"There is a molecule consisting of 24 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COc1cc2ncnc(NC(C)c3ccccc3)c2cc1OC1CCC(NS(C)(=O)=O)CC1
BondNum,"The molecule contains 11 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",C=C(Nc1nc(C)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, and 2 halo groups.",COc1ccc(Cl)cc1CC(=O)NNC(=O)c1cccc(Cl)c1
AddComponent,Modify the molecule CC(=O)NC1C(CCO)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1 by adding a amine.,CC(=O)NC1C(CCO)OC(COCc2ccccc2)C(OCc2ccccc2N)C1OCc1ccccc1
SubComponent,Substitute a halo in the molecule CCCCCCCNc1cccc(F)c1F with a hydroxyl.,CCCCCCCNc1cccc(O)c1F
DelComponent,Remove a hydroxyl from the molecule COCc1cc(C2(O)CC2)ccc1F.,COCc1cc(C2CC2)ccc1F
LogP,Optimize the molecule O=C([O-])c1ccc2c(c1)C1C=CCC1C(c1ccc3c(c1)OCO3)N2 to have a lower LogP value.,O=C([O-])c1ccc2c(c1)C1C=CCC1C2c1ccc2c(c1)OCO2
MR,Modify the molecule c1ccc(CNc2nc3c4c([nH]nc4n2)CCN3)cc1 to have a lower MR value.,c1ccc(CNc2nc3c4c([nH]nc4n2)CC3)cc1
QED,Modify the molecule CCOP(=O)(COc1ccc(CCNC(=O)OC(C)(C)C)cc1)OCC to have a lower QED value.,CCOP(=O)(COCCNC(=O)OC(C)(C)C)OCC
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 6 fluorine atoms.",Cc1c(C(F)(F)F)[nH]n(-c2ccccc2C(F)(F)F)c1=O
BondNum,"The molecule is composed of 15 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 10 aromatic bonds.",Cc1sc2nc(SCC(=O)NC(C)(C#N)C(C)C)n(C(C)C)c(=O)c2c1C
FunctionalGroup,"The molecule contains 1 amine group, 1 halo group, and 1 sulfone group.",O=S(=O)(NCCCI)c1cccc2cnccc12
AddComponent,Please add a benzene ring to the molecule FC(I)P(I)(c1ccccc1)(c1ccccc1)c1ccccc1.,FC(I)P(I)(c1ccccc1)(c1ccccc1)c1cccc(-c2ccccc2)c1
SubComponent,Please substitute a CC(C)[NH2+]CCc1ccc(Cn2cc(I)cn2)cc1 in the molecule halo with a nitrile.,CC(C)[NH2+]CCc1ccc(Cn2cc(C#N)cn2)cc1
DelComponent,Remove a Cc1cnc(Cl)nc1N1CCSCC1 from the molecule halo.,Cc1cncnc1N1CCSCC1
LogP,Please optimize the molecule Cc1cc(C(Cl)c2ccc3c(c2)CC(=O)N3C)sc1Br to have a lower LogP value.,Cc1cc(C(C(=O)[OH])c2ccc3c(c2)CC(=O)N3C)sc1Br
MR,Optimize the molecule O=C(Nc1cccc2c1CCCN2C(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)cc1 to have a higher MR value.,NC(C(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21)c1csc(-c2cccs2)n1
QED,Optimize the molecule COC(=O)C1Cc2c[nH]c3cccc(c23)C(O)C(=O)N1 to have a higher QED value.,COC(=O)C1(O)Cc2c[nH]c3cccc1c23
AtomNum,"Please generate a molecule with 24 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(Cc2nsc(N3CCC(CNC(=O)CCC4CCCC4)CC3)n2)cc1
BondNum,"There is a molecule consisting of 41 single bonds, 3 double bonds, and 28 rotatable bonds.",CC(C)(Br)C(=O)C[NH2+]CC(CNC(=O)C(C)(C)Br)(CNC(=O)C(C)(C)Br)COCCOCCOCCOCCOCC(O)CO
FunctionalGroup,"Please generate a molecule with 1 amide group, 1 nitrile group, and 1 sulfide group.",Cc1nn(C)c(C)c1-c1ccnc2cc(C(=O)Nc3sc4c(c3C#N)CCC(C(C)(C)C)C4)nn12
AddComponent,Please add a hydroxyl to the molecule Cc1nc(C(=O)Nc2ccccc2C[NH+]2CC(C)OC(C)C2)c(=O)[nH]c1C.,Cc1nc(C(=O)Nc2ccccc2C[NH+]2CC(C)OC(C)(O)C2)c(=O)[nH]c1C
SubComponent,Substitute a Cc1c(Cl)ccc2nc(N)sc12 in the molecule halo with a aldehyde.,CC(=O)c1ccc2nc(N)sc2c1C
DelComponent,Please remove a benzene ring from the molecule O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cccc(Br)c1.,O=C(Br)OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O
LogP,Please optimize the molecule O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc34)CC2)CC1 to have a higher LogP value.,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCC(C(c2ccccc2)[NH+]2CCC(c3c[nH]c4ccccc34)CC2)CC1
MR,Modify the molecule CCCNc1cc(Oc2ccccc2I)nc(SC)n1 to have a lower MR value.,CCCc1cc(Oc2ccccc2I)nc(SC)n1
QED,Modify the molecule O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCCOC1 to decrease its QED value.,O=CCC1CCOCC1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-]
AtomNum,"There is a molecule with 2 carbon atoms, and 7 sulfur atoms.",CCS(=S)(=S)S(=S)(=S)S
BondNum,"The molecule is composed of 9 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1cc(C(C)C)cnc1NC(C)C
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",O=C([O-])N1CCC(c2ccccc2Cl)C(O)C1
AddComponent,Please add a benzene ring to the molecule Cc1cc2nc(NC(=O)CC(C)(CF)CF)n(C(C)(C)C)c2nc1C.,Cc1nc2c(cc1Cc1ccccc1)nc(NC(=O)CC(C)(CF)CF)n2C(C)(C)C
SubComponent,Substitute a halo in the molecule CCCCCCCCCCCCOC(=O)c1c2cc(C)sc2c(C(=O)CCCCCCCCCCCC)c2cc(-c3c(F)c(F)c(C)c(F)c3F)sc12 with a aldehyde.,CC(=O)c1c(F)c(C)c(F)c(F)c1-c1cc2c(C(=O)CCCCCCCCCCCC)c3sc(C)cc3c(C(=O)OCCCCCCCCCCCC)c2s1
DelComponent,Modify the molecule halo by removing a CC(F)(F)C(=O)c1ccc2c(c1)CCC2.,CC(F)C(=O)c1ccc2c(c1)CCC2
LogP,Please modify the molecule [NH3+]CCCn1cnc2cccc(C(F)(F)F)c2c1=O to decrease its LogP value.,[NH3+]CCCn1cnc2cccc(C(F)(F)NO)c2c1=O
MR,Modify the molecule Cc1ccccc1Cc1noc(C2CCC(O)CC2)n1 to decrease its MR value.,CCc1noc(C2CCC(O)CC2)n1
QED,Modify the molecule CCCCOc1nc(N)c2[nH]c(=O)n(CCCN3CC[NH+](C4CCCC4)CC3)c2n1 to have a lower QED value.,CCCCOc1nc(N)c2[nH]c(=O)n(CCCN3CC[NH+](C4CCCC4)C(c4ccccc4)C3)c2n1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CN(C)C(=O)c1ccc(CNc2ncnc3sc(-c4ccccc4)cc23)cc1
BondNum,"The molecule is composed of 7 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CCCCC(=O)NCc1nn[n-]n1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 2 amine groups.",COCC(C)NC(=S)NN=Cc1c(C)cc(C)cc1C
AddComponent,Modify the molecule CCOC(=O)CCNC(=O)Oc1ccc(OC)cc1 by adding a hydroxyl.,CCOC(=O)CCNC(=O)Oc1ccc(OC)cc1O
SubComponent,Substitute a CCC(CCO)NS(=O)(=O)c1cnc(Cl)c(Cl)c1 in the molecule hydroxyl with a nitro.,CCC(CCNO)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
DelComponent,Please remove a N#Cc1c(C(F)(F)F)cnc(OC(F)(F)F)c1CF from the molecule halo.,N#Cc1c(C(F)F)cnc(OC(F)(F)F)c1CF
LogP,Optimize the molecule Cc1cc2c(cc1C([NH3+])C(C)(C)C[NH3+])OCCO2 to have a higher LogP value.,Cc1cc2c(cc1C([NH3+])C(C)(C[NH3+])Cc1ccccc1)OCCO2
MR,Modify the molecule COc1cc(-n2c(C)nc(C#Cc3ccnc(Cl)c3)c2C)cc(C(F)(F)F)c1 to have a higher MR value.,CC(=O)c1cc(C#Cc2nc(C)n(-c3cc(OC)cc(C(F)(F)F)c3)c2C)ccn1
QED,Optimize the molecule Cc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)CC1)C(C)C to have a higher QED value.,Cc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(NC(=O)C1CC[NH+](CC(=O)Nc2ccc(C#N)c(C(=O)Nc3ccccc3)c2)CC1)C(C)C
AtomNum,"There is a molecule with 22 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 2 fluorine atoms.",CC(C)(C)OC(=O)NC1CCOCC1COc1ccc(-c2ccc(F)cn2)c(F)c1
BondNum,"There is a molecule composed of 12 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCNC(=O)CNC(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 amine group, and 1 nitro group.",O=C(c1ccco1)N1CCN(C(=S)Nc2cccc([N+](=O)[O-])c2)CC1
AddComponent,Add a amine to the molecule CC(C)COCCC[NH2+]Cc1ccc2c(c1)CCN2C.,CC(C)COCC(N)C[NH2+]Cc1ccc2c(c1)CCN2C
SubComponent,Modify the molecule halo by substituting a C[NH+]1CCN(C(=[NH+]c2ccccc2)SCC(=O)Nc2ccc(Cl)cn2)CC1 with a aldehyde.,CC(=O)c1ccc(NC(=O)CSC(=[NH+]c2ccccc2)N2CC[NH+](C)CC2)nc1
DelComponent,Remove a hydroxyl from the molecule COc1cc(C=O)cc2c1OC1C2C(C(=O)NCCO)=CC(N(CC[NH+]2CCOCC2)C(=O)c2cc3ccccc3oc2=O)C1O.,CCNC(=O)C1=CC(N(CC[NH+]2CCOCC2)C(=O)c2cc3ccccc3oc2=O)C(O)C2Oc3c(OC)cc(C=O)cc3C12
LogP,Please modify the molecule CCc1[nH+]ccn1CC1CCN(C(=O)c2ccccc2SCC#N)CC1 to decrease its LogP value.,CCc1[nH+]ccn1CC1CCN(C(=O)c2ccccc2SCC#N)C(O)C1
MR,Modify the molecule CCN(CC(C)C#N)C(=O)CCC(CC[NH3+])C(C)(C)C to have a lower MR value.,CCCN(CC)C(=O)CCC(CC[NH3+])C(C)(C)C
QED,Optimize the molecule Brc1ccc2[nH+]c(CSc3ccc4ccccc4n3)cn2c1 to have a higher QED value.,c1ccc2nc(SCc3cn4ccccc4[nH+]3)ccc2c1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc(C(CN2C(=O)c3ccccc3C2=O)c2ncco2)cc1
BondNum,"The molecule consists of 4 single bonds, 1 triple bond, 2 rotatable bonds, and 12 aromatic bonds.",N#CC(c1ccccc1)c1ccc(I)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 3 amide groups, 1 halo group, and 1 sulfide group.",O=C(Nc1ccc(N2CCOCC2=O)cc1)c1nc(CNC(=O)c2ccc(Cl)s2)no1
AddComponent,Add a hydroxyl to the molecule COc1ccc(C(=O)N([CH]c2ccccc2)C(C)c2ccccc2)cc1.,COc1ccc(C(=O)N([CH]c2ccccc2)C(C)c2ccc(O)cc2)cc1
SubComponent,Modify the molecule hydroxyl by substituting a CCCCCC(O)Cc1cc(Br)ccc1F with a thiol.,CCCCCC(S)Cc1cc(Br)ccc1F
DelComponent,Remove a benzene ring from the molecule CCC([NH3+])Cc1cccc(OC)c1OC(C)C(=O)OC.,CCC([NH3+])C(OC)OC(C)C(=O)OC
LogP,Optimize the molecule C[NH+](C)C(C)(C)COc1nc2c(cc1C(N)=S)CCC2 to have a higher LogP value.,C[NH+](C)C(C)(C)COc1nc2c(cc1C=S)CCC2
MR,Modify the molecule Cc1occc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 to decrease its MR value.,Cc1occc1-c1nnc(SCC(=O)Nc2cc3c(s2)CCCCC3)o1
QED,Modify the molecule Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(CC3CCC(F)(F)CC3)c2n1 to decrease its QED value.,Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(CC3(c4ccccc4)CCC(F)(F)CC3)c2n1
AtomNum,"The molecule has 8 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",[NH3+]C(Cc1nonc1C1CC1)C(=O)[O-]
BondNum,"The molecule contains 12 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1c(N)cccc1NCC1CCCCC1C
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 2 halo groups.",O=C([O-])c1cc(-c2ccncc2)n(-c2ccc(F)cc2F)n1
AddComponent,Please add a benzene ring to the molecule CCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)CC(=O)Nc1cccc2cccnc12.,CCCC(C#C[Si](C(C)C)(C(C)C)C(C)(C)c1ccccc1)CC(=O)Nc1cccc2cccnc12
SubComponent,Modify the molecule O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCC[NH+]1CCN(c2ncccn2)CC1 by substituting a halo with a thiol.,O=C(CNC(=O)c1ccc(S)c(Cl)c1)NCC[NH+]1CCN(c2ncccn2)CC1
DelComponent,Remove a halo from the molecule COc1c(CBr)cc(C(F)F)nc1C#N.,COc1c(CBr)cc(CF)nc1C#N
LogP,Modify the molecule Cc1c(F)cccc1NCC(=O)N(C)C1CC1 to have a higher LogP value.,CC(=O)c1cccc(NCC(=O)N(C)C2CC2)c1C
MR,Optimize the molecule COC(=O)C(CO)NC(=O)CC[Si](C)(C)OCCO[Si](C)(C)CCC(=O)NC(CO)C(=O)OC to have a lower MR value.,COC(=O)C(C)NC(=O)CC[Si](C)(C)OCCO[Si](C)(C)CCC(=O)NC(CO)C(=O)OC
QED,Modify the molecule CC(O)C(NC(=O)c1ccc(N2CCN(c3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1)C(=O)NO to increase its QED value.,CC(O)C(NC(=O)c1ccc(N2CCN(c3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1)C(N)=O
AtomNum,"Please generate a molecule composed of 18 carbon atoms, and 5 nitrogen atoms.",CCNC(NC(C)CCc1ccccc1)=[NH+]CCn1ccnc1
BondNum,"There is a molecule consisting of 11 single bonds, 1 rotatable bond, and 6 aromatic bonds.",Nc1cc(C(F)(F)F)[nH+]c(OC(F)(F)F)c1[O-]
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 2 halo groups, and 1 sulfone group.",CN(CC(=O)NCc1ccc(Cl)cc1Cl)C1=NS(=O)(=O)c2ccccc21
AddComponent,Add a hydroxyl to the molecule CC(C)(C)C1CCN(C(=O)c2cc3ncccc3cc2O)CC1.,CC(C)(C)C1CCN(C(=O)c2c(O)cc3cccnc3c2O)CC1
SubComponent,Substitute a nitrile in the molecule CCCNC(C#N)(CN1CCOCC1CC)C1CC1 with a nitro.,CCCNC(CN1CCOCC1CC)(NO)C1CC1
DelComponent,Please remove a amide from the molecule COc1nc(N(C)CC(=O)NC(C)C)nc(N2CCCCCC2)n1.,COc1nc(N2CCCCCC2)nc(N(C)C(C)C)n1
LogP,Modify the molecule CCCCCNC(=O)C1C2C=CC(CC)C(C(=O)OCC)C2C(=O)N1CCCCCCO to have a lower LogP value.,CCCCCNC(=O)C1C2C=CC(CCN)C(C(=O)OCC)C2C(=O)N1CCCCCCO
MR,Please optimize the molecule CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1 to have a higher MR value.,CC(=O)c1cccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)c1
QED,Modify the molecule CCC(NC(=O)C([NH3+])CSC)C(=O)NC(CO)C(O)C(O)C(=O)C(O)C(c1ccccc1)C([NH3+])C(=O)[O-] to have a lower QED value.,CCC(NC(=O)C([NH3+])CSC)C(=O)NC(CC(=O)[OH])C(O)C(O)C(=O)C(O)C(c1ccccc1)C([NH3+])C(=O)[O-]
AtomNum,"Please generate a molecule with 17 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 bromine atom.",Cc1cc(Br)cc(C([NH3+])c2ccc3c(c2)C(=O)NCC3)c1
BondNum,"Please generate a molecule composed of 3 single bonds, 1 rotatable bond, and 6 aromatic bonds.",ClCc1ccc(Br)cn1
FunctionalGroup,"Please generate a molecule consisting 1 halo group, and 2 sulfide groups.",Cc1ccsc1-c1ncc(CCl)s1
AddComponent,Modify the molecule Nc1c(Br)cc(C(=O)CCC(=O)N2CCC(n3cc(-c4ccc(-c5ccccc5)cc4)[nH]c3=O)CC2)cc1Br by adding a carboxyl.,Nc1c(Br)cc(C(=O)CCC(=O)N2CCC(n3cc(-c4ccc(-c5ccc(C(=O)O)cc5)cc4)[nH]c3=O)CC2)cc1Br
SubComponent,Please substitute a halo in the molecule Fc1ccc2[nH]cc(C3CC[NH+](CCc4cccnc4)CC3)c2c1 with a aldehyde.,CC(=O)c1ccc2[nH]cc(C3CC[NH+](CCc4cccnc4)CC3)c2c1
DelComponent,Please remove a amide from the molecule O=C(Cc1csc(NC(=O)C2CCC(=O)N2)n1)NCC1CCCCC1.,O=C1CCC(C(=O)Nc2nc(CC3CCCCC3)cs2)N1
LogP,Modify the molecule CCOC(=O)N1CCC(C(=O)c2cccs2)CC1 to have a lower LogP value.,CCOC(=O)N1CCC(C(=O)c2cccs2)C(O)C1
MR,Please modify the molecule CCc1nnc(NC(=O)c2ccccc2OCc2cccc(Br)c2)s1 to decrease its MR value.,CCc1nnc(NC(=O)c2ccccc2OCc2cccc(C(=O)[OH])c2)s1
QED,Optimize the molecule O=C(COc1nc(Cl)c(Cl)cc1Cl)NNC(=O)c1ccccc1[N+](=O)[O-] to have a higher QED value.,O=C(NOc1nc(Cl)c(Cl)cc1Cl)c1ccccc1[N+](=O)[O-]
AtomNum,"The molecule has 20 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCCC1=CCCCC1
BondNum,"Please generate a molecule consisting 8 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCC[NH2+]C(c1ccccn1)c1nccn1CC
FunctionalGroup,"There is a molecule composed of 2 thioether groups, and 1 sulfide group.",CC(C)SCc1cn(C)c2cc(C[NH3+])ccc12
AddComponent,Modify the molecule O=PCCCc1cccc(O)c1 by adding a benzene ring.,O=PCCCc1cc(O)ccc1-c1ccccc1
SubComponent,Please substitute a halo in the molecule CC(C)(C)C1CCSC2(C=CC(C)(C(Cl)Cl)C=C2)S1 with a aldehyde.,CC(=O)C(Cl)C1(C)C=CC2(C=C1)SCCC(C(C)(C)C)S2
DelComponent,Please remove a COc1ccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCCCC5)c4C)CC3)cc2C)cc1 from the molecule benzene ring.,COc1ccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)NCC(=O)N4CCCCC4)CC3)cc2C)cc1
LogP,Please optimize the molecule COc1ccc(N2C(=O)C([Si](C)(C)C)=C3C2=[NH+]c2ccc(Cl)cc23)cc1 to have a lower LogP value.,COc1ccc(N2C(=O)C([Si](C)(C)C)=C3C2=[NH+]c2cc(O)c(Cl)cc23)cc1
MR,Please modify the molecule COc1ccc(N2C(=O)C(=O)C(=C([O-])c3cc(Cl)cc(Cl)c3OC)C2c2cccc(O)c2)cc1Cl to increase its MR value.,CC(=O)c1cc(Cl)c(OC)c(C([O-])=C2C(=O)C(=O)N(c3ccc(OC)c(Cl)c3)C2c2cccc(O)c2)c1
QED,Modify the molecule C[NH2+]Cc1cncn1C1CCC(=O)NC1 to decrease its QED value.,C[NH2+]Cc1cncn1C1CNC(=O)C(O)C1
AtomNum,"The molecule has 23 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",CCCc1ccc(C#N)c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n1
BondNum,"Please generate a molecule with 24 single bonds, 11 rotatable bonds, and 17 aromatic bonds.",COc1ccc2ncc(CF)c(C(O)CCC3(CO)CC[NH+](CCCc4cc(F)cc(F)c4F)CC3)c2c1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 1 amine group.",CCc1ccc(Nc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)nc2)cc1
AddComponent,Modify the molecule [NH3+]C1CC2CCC(C1)N2C(=O)CC1C=CCC1 by adding a hydroxyl.,[NH3+]C1CC2CCC(C1O)N2C(=O)CC1C=CCC1
SubComponent,Modify the molecule halo by substituting a CC(C)Cn1c(C(C)C)ccc(CBr)c1=O with a nitrile.,CC(C)Cn1c(C(C)C)ccc(CC#N)c1=O
DelComponent,Please remove a hydroxyl from the molecule Cc1cc2cc(-c3c(C)nc(NCC4CC4)nc3NC3CC(CO)C4OC(C)(C)OC34)oc2c(C)n1.,Cc1cc2cc(-c3c(C)nc(NCC4CC4)nc3NC3CC(C)C4OC(C)(C)OC34)oc2c(C)n1
LogP,Please modify the molecule Nc1cncc(C(=O)NCC[NH+]2CCOCC2)n1 to decrease its LogP value.,Nc1cncc(C(=O)NCC[NH+]2CCOC(O)C2)n1
MR,Modify the molecule CSCCCNC(=O)C1=CC(O)C(O)C(OC(C(N)=O)C2OC(n3ccc(=O)[nH]c3=O)C(O)C2CO)O1 to increase its MR value.,CC(=O)C1C=C(C(=O)NCCCSC)OC(OC(C(N)=O)C2OC(n3ccc(=O)[nH]c3=O)C(O)C2CO)C1O
QED,Optimize the molecule O=C(CCC(=O)c1ccc(Br)cc1)NC1CCSc2ccc(F)cc21 to have a lower QED value.,O=C(CC1CCSc2ccc(F)cc21)c1ccc(Br)cc1
AtomNum,"There is a molecule composed of 11 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCn1ccnc(N(C)CCCC(=O)[O-])c1=O
BondNum,"Please generate a molecule consisting 11 single bonds, 3 double bonds, 8 rotatable bonds, and 28 aromatic bonds.",COc1ccc(C=NNC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc1
FunctionalGroup,The molecule is composed of and 1 sulfone group.,CS(=O)(=O)c1cccc2c3c(n(CC(=O)[O-])c12)CCC([NH3+])C3
AddComponent,Modify the molecule CC1CCc2[nH]c(C(CC(C)(C)C)NC(=O)OC(C)(C)C)nc21 by adding a benzene ring.,CC1c2nc(C(CC(C)(C)C)NC(=O)OC(C)(C)C)[nH]c2CC1c1ccccc1
SubComponent,Substitute a CC[NH2+]Cc1c[nH+]c(Cc2ccccc2F)[nH]1 in the molecule halo with a carboxyl.,CC[NH2+]Cc1c[nH+]c(Cc2ccccc2C(=O)[OH])[nH]1
DelComponent,Please remove a CN(C)C(=O)Nc1ccc(-n2ncc3c(=O)n(CC4(O)CCN(C(=O)c5ccc(F)cc5)CC4)cnc32)cc1 from the molecule benzene ring.,CN(C)C(=O)Nc1ccc(-n2ncc3c(=O)n(CC4(O)CCN(C(=O)F)CC4)cnc32)cc1
LogP,Please modify the molecule CCOC(=O)c1ccc(-n2c(O)c(OC)c(C(N=O)c3ccc(OC)cc3)c2-c2ccccc2)cc1 to increase its LogP value.,CCOC(=O)c1ccc(-n2cc(OC)c(C(N=O)c3ccc(OC)cc3)c2-c2ccccc2)cc1
MR,Please modify the molecule CC(C)C([NH3+])C(=O)NCC(=O)NC(CCC(N)=O)C(=O)NC(CS)C(=O)[O-] to decrease its MR value.,CC(NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C([NH3+])C(C)C)C(=O)[O-]
QED,Please optimize the molecule CC(C)(CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21)C(=O)[O-] to have a higher QED value.,CC(C)(C(=O)[O-])C1Oc2c(Cl)ccc(Cl)c21
AtomNum,"The molecule contains 18 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCCC(=O)N1CCCCC1C(=O)N1CC([NH3+])C(c2cnn(C)c2)C1
BondNum,"Please generate a molecule composed of 12 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CC(C)n1ncc(Br)c1CCC(Cl)C1CC1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 1 amine group, and 2 halo groups.",Cc1ccc(Cl)cc1Nc1cc(C(=O)NCc2ccccc2F)ncn1
AddComponent,Please add a hydroxyl to the molecule Cc1cccc(C)c1C(C)NC(=O)N1CCC2(C1)Oc1ccccc1O2.,Cc1cccc(C)c1C(C)NC(=O)N1CCC2(C1)Oc1cccc(O)c1O2
SubComponent,Modify the molecule halo by substituting a Cc1cn(CCCC[NH+]2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)nc1NCc1ccccc1 with a aldehyde.,CC(=O)C(F)(F)c1cc(N2CC[NH+](CCCCn3cc(C)c(NCc4ccccc4)nc3=O)CC2)nc(C(C)(C)C)n1
DelComponent,Modify the molecule benzene ring by removing a CC(=O)N(CCC(=O)N(Cc1ccccc1)C(C)C)Cc1cccc(C)c1.,CCN(CCC(=O)N(Cc1ccccc1)C(C)C)C(C)=O
LogP,Please modify the molecule O=C([O-])C1CC2(CC[NH+](Cc3cc(-c4ccccn4)no3)CC2)C[NH2+]1 to increase its LogP value.,O=C([O-])C1CC2(CC[NH+](Cc3cc(-c4ccccn4)no3)CC2c2ccccc2)C[NH2+]1
MR,Modify the molecule O=C(NC1CCCCC1)N1c2ccc(F)cc2C2(CC[NH2+]CC2)C1CC1CC1 to have a higher MR value.,O=C(NC1CCCCC1)N1c2ccc(S)cc2C2(CC[NH2+]CC2)C1CC1CC1
QED,Modify the molecule O=c1ccncn1Cc1ccc(Br)cc1F to decrease its QED value.,O=c1ccncn1Cc1ccc(Br)cc1
AtomNum,"There is a molecule composed of 15 carbon atoms, 1 nitrogen atom, and 1 silicon atom.",CC(C)(C)[Si](C)(C)C(C#N)=Cc1ccccc1
BondNum,"There is a molecule with 14 single bonds, 1 double bond, 7 rotatable bonds, and 10 aromatic bonds.",Cn1cccc1CN(Cc1ccco1)C(=O)CCC1CCCC1
FunctionalGroup,Please generate a molecule composed of and 1 halo group.,CC(C)n1cncc1C1CC([NH3+])c2cc(Br)ccc2O1
AddComponent,Add a hydroxyl to the molecule CC(C)N1CC([NH2+]C2CCSCC2)C1.,CC(C)N1CC([NH2+]C2(O)CCSCC2)C1
SubComponent,Please substitute a CC(F)(F)C(=O)OCC(=O)OC1(C)CC2CCC1C2 in the molecule halo with a carboxyl.,CC(F)(C(=O)[OH])C(=O)OCC(=O)OC1(C)CC2CCC1C2
DelComponent,Please remove a Cc1cccc(C)c1C[NH2+]C1CC[NH+](C)CC1C from the molecule benzene ring.,CC(C)[NH2+]C1CC[NH+](C)CC1C
LogP,Please modify the molecule C#CCn1c(=NC(=O)c2ccccc2S(C)(=O)=O)sc2cc(S(N)(=O)=O)ccc21 to decrease its LogP value.,C#CCn1c(=NC(=O)S(C)(=O)=O)sc2cc(S(N)(=O)=O)ccc21
MR,Optimize the molecule CCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)c1cccc(Cl)c1 to have a higher MR value.,CCC(CCN(CC(=O)Nc1nc(C)cs1)C(=O)c1cccc(Cl)c1)c1ccccc1
QED,Please modify the molecule Cc1ccc(F)c(C(=O)NCCCC(C)C(=O)[O-])c1F to decrease its QED value.,Cc1ccc(F)c(C(=O)NCCCC(C)C(=O)[O-])c1
AtomNum,"There is a molecule consisting of 28 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",CN(C(=O)N1CC(c2cc(F)ccc2F)=CC1(CCCCO)c1ccccc1)C1CC[NH+](C)CC1F
BondNum,"The molecule contains 15 single bonds, and 5 rotatable bonds.",CC[NH2+]CC(C)C(C)[NH+]1CCSCC1C
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 sulfide group.",CC(C)(C)OC(=O)NC(Cc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1)C(=O)[O-]
AddComponent,Please add a benzene ring to the molecule Cc1cc(S(N)(=O)=O)cc(NC(=O)CNC(=O)C=Cc2ccccc2)c1C.,Cc1cc(S(N)(=O)=O)cc(NC(=O)CNC(=O)C=Cc2cccc(-c3ccccc3)c2)c1C
SubComponent,Modify the molecule O=C([O-])C=Cc1ccc(C[NH+]2CC(=O)NC(=O)C2)c(F)c1 by substituting a halo with a nitro.,ONc1cc(C=CC(=O)[O-])ccc1C[NH+]1CC(=O)NC(=O)C1
DelComponent,Remove a CC1CN(c2cc[nH+]c3ccc(N)cc23)C(C)C[NH2+]1 from the molecule amine.,CC1CN(c2cc[nH+]c3ccccc23)C(C)C[NH2+]1
LogP,Please optimize the molecule Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-n4ccnc4C[NH3+])cc3F)cc12 to have a higher LogP value.,[NH3+]Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3oncc3c2)c(F)c1
MR,Please modify the molecule CC(CC(N)=O)CC([NH3+])c1cc2c(cc1F)NC(=O)CC2 to increase its MR value.,CC(CC(N)=O)CC([NH3+])c1ccc2c(c1)CCC(=O)N2
QED,Please optimize the molecule CC(=NNC(=S)NCC1CCCO1)c1ccc(OCC(=O)N(C)C)cc1 to have a lower QED value.,CC(=NNC(=S)NCC1CCCO1)OCC(=O)N(C)C
AtomNum,"Please generate a molecule with 54 carbon atoms, 10 oxygen atoms, and 4 nitrogen atoms.",CCC(C)C(CCC(C)C(=O)C(NC(=O)C(C(C)C)[NH+](C)CCCC(=O)[O-])C(C)C)C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C(=O)OCc1ccccc1)C(C)c1ccccc1)OC
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",Cc1cc(Cl)ccc1NOC(=O)C[NH+]1CCCC1
FunctionalGroup,"Please generate a molecule with 1 amine group, 1 halo group, and 1 sulfide group.",CCOc1nc(Cl)nc(NC(C)c2cccs2)n1
AddComponent,Add a benzene ring to the molecule CC[NH2+]C(C(C)(C)C)C1(c2ccccc2)CCCC1.,CC[NH2+]C(C(C)(C)C)C1(c2ccccc2)CCCC1c1ccccc1
SubComponent,Substitute a CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)C2c2cc(OC)ccc2OC)cc1OC in the molecule nitrile with a thiol.,CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3S)C2c2cc(OC)ccc2OC)cc1OC
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccc(C(=O)OCCCOc2c(Cl)cc(O)cc2Cl)cc1.,CCOC(=O)OCCCOc1c(Cl)cc(O)cc1Cl
LogP,Modify the molecule Clc1ccccc1CC(Br)c1ccccc1Cl to have a lower LogP value.,Oc1ccccc1CC(Br)c1ccccc1Cl
MR,Please optimize the molecule C[NH2+]Cc1cc(S(=O)(=O)Nc2cc(Br)ccc2C)c(C)o1 to have a lower MR value.,C[NH2+]Cc1cc(S(=O)(=O)c2cc(Br)ccc2C)c(C)o1
QED,Please optimize the molecule COc1cc(S(=O)(=O)c2cccc(F)c2)ccc1C1CC[NH2+]C1 to have a lower QED value.,COc1cc(S(=O)(=O)c2cc(N)cc(F)c2)ccc1C1CC[NH2+]C1
AtomNum,"There is a molecule with 12 carbon atoms, and 5 nitrogen atoms.",N#Cc1c(-c2cnccn2)[nH]c2cccnc12
BondNum,"There is a molecule consisting of 4 single bonds, 3 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",COC(=O)C(=C=N)c1ccccc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, and 2 halo groups.",CC(C)Oc1ccc(CO)c(Cl)c1Cl
AddComponent,Modify the molecule C[NH2+]C(c1cccc(OC)c1)c1ccc(C)c(C)c1 by adding a benzene ring.,C[NH2+]C(c1cccc(OC)c1)c1ccc(Cc2ccccc2)c(C)c1
SubComponent,Modify the molecule Cc1cccc(NC(=O)C(C#N)=Cc2cccc(NC(=O)C(F)(F)F)c2)c1 by substituting a halo with a hydroxyl.,Cc1cccc(NC(=O)C(C#N)=Cc2cccc(NC(=O)C(O)(F)F)c2)c1
DelComponent,Remove a halo from the molecule [NH3+]Cc1ccccc1-c1c(F)ccc(Br)c1F.,[NH3+]Cc1ccccc1-c1cc(Br)ccc1F
LogP,Optimize the molecule CC(C)Cn1ncnc1CN(C)c1ccccc1C(N)=[NH2+] to have a lower LogP value.,CC(C)Cn1ncnc1CN(C)C(N)=[NH2+]
MR,Modify the molecule CCS(=O)(=O)CCNC(=O)CCCO to increase its MR value.,CCS(=O)(=O)CCNC(=O)CCCNO
QED,Please optimize the molecule CC1(O)C2CC3CC1CC(C(=O)OCC(F)(F)SOOO)(C3)C2 to have a higher QED value.,CC1(O)C2CC3CC1CC(C(=O)OCC(F)SOOO)(C3)C2
AtomNum,"There is a molecule with 22 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 2 fluorine atoms.",O=C(NCc1cccc(OC(F)F)c1)C(=Cc1ccco1)NC(=O)c1ccccc1
BondNum,"There is a molecule composed of 22 single bonds, 1 double bond, 6 rotatable bonds, and 23 aromatic bonds.",COC(=O)CC1COc2cc(OC3CCc4c(-c5ccc(-n6cnc(C)n6)cc5)c(C(F)(F)F)cc(F)c43)ccc21
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 halo group, and 1 sulfide group.",Brc1ccc(-c2cc3c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c3c3c2sc2ccccc23)cc1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(-c2nc(CCNC(=O)Nc3ccc4c(c3)OCCO4)cs2)cc1.,Cc1ccc(-c2nc(CCNC(=O)Nc3ccc4c(c3)OCCO4)cs2)c(O)c1
SubComponent,Substitute a CCOC(=O)c1sc2cc(OCc3cccnc3)ccc2c1Sc1ccccc1CO in the molecule hydroxyl with a aldehyde.,CC(=O)Cc1ccccc1Sc1c(C(=O)OCC)sc2cc(OCc3cccnc3)ccc12
DelComponent,Modify the molecule amine by removing a CCC1CCCCC1Nc1nc(NC)ncc1C.,CCC1CCCCC1c1nc(NC)ncc1C
LogP,Modify the molecule c1ccc(N(c2ccccc2)c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4ccccc34)cc2)cc1 to have a lower LogP value.,c1ccc(N(c2ccccc2)N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3ccccc23)cc1
MR,Modify the molecule CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO to have a higher MR value.,CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CNO
QED,Optimize the molecule CC(C[NH3+])CC(=O)NCC(C)(C)c1ccccn1 to have a higher QED value.,CC(C[NH3+])C(C(=O)NCC(C)(C)c1ccccn1)c1ccccc1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 6 oxygen atoms, and 2 nitrogen atoms.",CCCN(CCC(=O)OC)C(=O)c1ccc(OC)c([N+](=O)[O-])c1
BondNum,"There is a molecule consisting of 14 single bonds, 3 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",CC(C)Cc1cc(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)nc(=O)[nH]1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 2 halo groups.",Cc1c(C[NH2+]C(C)(C)C)cnn1Cc1ccc(Cl)cc1Cl
AddComponent,Add a hydroxyl to the molecule CCOC(=O)c1cnc(SCCc2ccnn2C)nc1N.,CCOC(=O)c1cnc(SCC(O)c2ccnn2C)nc1N
SubComponent,Modify the molecule CC(c1ccc(F)c(F)c1)N(C)C(=O)NCCC(=O)N1CCCC1 by substituting a halo with a nitrile.,CC(c1ccc(C#N)c(F)c1)N(C)C(=O)NCCC(=O)N1CCCC1
DelComponent,Modify the molecule halo by removing a O=c1ccc(C(F)(F)F)cn1Cc1ccc(Br)cc1Cl.,O=c1ccc(C(F)(F)F)cn1Cc1ccccc1Cl
LogP,Modify the molecule CC=CCCCOc1cccc(CNC(=O)c2ccc(C)nc2N)c1F to decrease its LogP value.,CC=CCCCOc1cccc(CNC(=O)c2ccc(C)nc2N)c1
MR,Please optimize the molecule O=C([O-])CC(Cc1ccncc1)c1cccc(Br)c1 to have a higher MR value.,O=C([O-])CC(Cc1ccnc(-c2ccccc2)c1)c1cccc(Br)c1
QED,Modify the molecule COC(=O)c1cc(S(=O)(=O)NC(CCC(=O)[O-])Cc2ccccc2)cs1 to increase its QED value.,COC(=O)c1cc(S(=O)(=O)C(CCC(=O)[O-])Cc2ccccc2)cs1
AtomNum,"There is a molecule consisting of 29 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",Cc1cc(C(=O)N(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(C(N)=O)ccc2C)CC1
BondNum,"There is a molecule consisting of 8 single bonds, 5 rotatable bonds, and 28 aromatic bonds.",CSc1nc(-c2ccnc(C([NH3+])c3cccc4ccccc34)c2)c(-c2ccc(F)cc2)[nH]1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",CCCNC(=O)c1cnc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
AddComponent,Modify the molecule Fc1cc(CCl)cc(CCl)c1 by adding a hydroxyl.,Oc1c(F)cc(CCl)cc1CCl
SubComponent,Substitute a CC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CCS1 in the molecule nitrile with a nitro.,CC1CC[NH+](CC(=O)NC2(NO)CCCCC2)CCS1
DelComponent,Remove a benzene ring from the molecule COC(=O)C1CCCN1P(=O)(Oc1ccc(OC)cc1)OC1C(CO)OC(O)C(NC(C)=O)C1O.,COOP(=O)(OC1C(CO)OC(O)C(NC(C)=O)C1O)N1CCCC1C(=O)OC
LogP,Please modify the molecule CCCCCn1c2c(ccc1=O)C(=O)CCC2 to decrease its LogP value.,CCCCCn1c2c(c(N)cc1=O)C(=O)CCC2
MR,Modify the molecule Cc1ccc(C)c2c1CC(C([NH3+])CO)N2C to decrease its MR value.,Cc1ccc(C)c2c1CC(C(C)[NH3+])N2C
QED,Please optimize the molecule CN(C)S(=O)(=O)c1cccc(NC2CSCCC2(C)C)c1 to have a lower QED value.,CN(C)S(=O)(=O)c1cccc(NC2CSCCC2(C)CC(=O)O)c1
AtomNum,"The molecule has 19 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",C=CCS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC2
BondNum,"There is a molecule consisting of 17 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CN(Cc1ccccc1)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1
FunctionalGroup,"Please generate a molecule composed of 1 amine group, 1 thioether group, and 2 sulfide groups.",CCCc1noc(CSc2nc(N)c3ccsc3n2)n1
AddComponent,Please add a hydroxyl to the molecule CC12CCC3C(CC(=O)C4CC(OC(=O)CNC(=O)OCC5c6ccccc6-c6ccccc65)CCC43C)C1CCC2=O.,CC12CCC3C(CC(=O)C4CC(OC(=O)CNC(=O)OCC5c6ccccc6-c6c(O)cccc65)CCC43C)C1CCC2=O
SubComponent,Substitute a CNC(=O)c1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCCCC4)ccc3C)CC2)ccc1Cl in the molecule halo with a carboxyl.,CNC(=O)c1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCCCC4)ccc3C)CC2)ccc1C(=O)[OH]
DelComponent,Modify the molecule amine by removing a Nc1cc(Cl)[nH+]c(C2CC2)c1C=O.,O=Cc1ccc(Cl)[nH+]c1C1CC1
LogP,Optimize the molecule Cc1ccc(NC(=O)NC(C)(C)c2cccc(C(C)(C)NC(=O)Nc3ccc(C)cc3C)c2)c(C)c1 to have a lower LogP value.,Cc1ccc(NC(=O)NC(C)(C)c2ccc(O)c(C(C)(C)NC(=O)Nc3ccc(C)cc3C)c2)c(C)c1
MR,Modify the molecule Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nn2)n1 to increase its MR value.,Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Cc4ccc(S)cc4)CC3)nn2)n1
QED,Modify the molecule COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 to have a lower QED value.,COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)cc(NO)c2)c(C)c1
AtomNum,"The molecule consists of 18 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1ccccc1CN1CCN(Cc2ccc([N+](=O)[O-])cc2)C1=O
BondNum,"The molecule is composed of 14 single bonds, 3 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, 1 ester group, 2 amide groups, 2 thioether groups, and 1 sulfide group.",C=CCCOC(=O)C1C2CCC3(S2)C1C(=O)N(C(CO)C(C)CC)C3C(=O)N(CC=C)CCCC
AddComponent,Please add a hydroxyl to the molecule C=CC(=O)OC(C=CC(C)=CCCOCc1ccc(OC)cc1)CC=CC.,C=CC(=O)OC(C=C(O)C(C)=CCCOCc1ccc(OC)cc1)CC=CC
SubComponent,Please substitute a hydroxyl in the molecule COc1cccc(Nc2nc3cc(Oc4ccnc(C=NO)c4)ccc3n2C)c1 with a carboxyl.,COc1cccc(Nc2nc3cc(Oc4ccnc(C=NC(=O)[OH])c4)ccc3n2C)c1
DelComponent,Remove a benzene ring from the molecule Cc1noc(C)c1CS(=O)CCCOc1ccccc1.,Cc1noc(C)c1CS(=O)CCCO
LogP,Please modify the molecule CO[Si](CCCNC(=O)Oc1ccccc1)(OC)OC to decrease its LogP value.,CO[Si](CCCNC(=O)Oc1ccccc1)(OC)OCO
MR,Optimize the molecule CCCCc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 to have a lower MR value.,CCCCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
QED,Modify the molecule CN1CCCN(Cc2ccc3[nH]cc(CC[NH3+])c3c2)S1(=O)=O to have a lower QED value.,CN1CCC(O)N(Cc2ccc3[nH]cc(CC[NH3+])c3c2)S1(=O)=O
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",COc1ccc(-c2nc(C(=O)[O-])c(N)s2)cc1Br
BondNum,"Please generate a molecule with 21 single bonds, 4 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NC(=O)NC1CCCC1
FunctionalGroup,"Please generate a molecule consisting 2 amide groups, 2 thioether groups, and 1 sulfide group.",CCCSCCNC(=O)CCN1Cc2ccccc2C1=O
AddComponent,Modify the molecule COc1ccccc1C1CCc2nc3ccc(Br)nc3n21 by adding a amine.,NCOc1ccccc1C1CCc2nc3ccc(Br)nc3n21
SubComponent,Modify the molecule halo by substituting a CC(C)(C)C([NH3+])c1ccc(Br)cc1 with a nitrile.,CC(C)(C)C([NH3+])c1ccc(C#N)cc1
DelComponent,Modify the molecule COC(CO)CN(CC(CO)OC)C(=O)[O-] by removing a hydroxyl.,COC(C)CN(CC(CO)OC)C(=O)[O-]
LogP,Optimize the molecule CCN(CCO)c1ccc(N=Nc2c(O)ccc3ccccc23)cc1 to have a higher LogP value.,CCN(CCO)c1ccc(N=Nc2c(O)ccc3ccccc23)cc1-c1ccccc1
MR,Please modify the molecule CCn1nnc(C2OC(n3cnc4c(NCC(c5ccc(OC)cc5)c5ccc(OC)cc5)nc(N5CCC(NC(=O)NC6CC[NH2+]C6)C5)nc43)C(O)C2O)n1 to increase its MR value.,COc1ccc(C(CNc2nc(N3CCC(NC(=O)NC4CC[NH2+]C4)C3)nc3c2ncn3C2OC(c3nnn(CCO)n3)C(O)C2O)c2ccc(OC)cc2)cc1
QED,Optimize the molecule NC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)CCC2 to have a lower QED value.,NC(=O)NC(=O)Nc1ccc2c(c1)CCC2
AtomNum,"The molecule is composed of 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCCCCCCC(=O)Nc1ccc(OC)nc1
BondNum,"The molecule contains 12 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",Cc1cccnc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C
FunctionalGroup,The molecule contains and 1 nitro group.,COc1cc(CC(=O)[O-])nc([N+](=O)[O-])c1
AddComponent,Modify the molecule O=C(CSc1nnc(CNC(=O)c2ccc(Cl)cc2Cl)n1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl by adding a hydroxyl.,O=C(CSc1nnc(CNC(=O)c2ccc(Cl)cc2Cl)n1-c1ccccc1)Nc1c(Cl)ccc(C(F)(F)F)c1O
SubComponent,Please substitute a nitrile in the molecule C[NH2+]Cc1cc(F)cc(OCc2cc(F)cc(C#N)c2)c1 with a carboxyl.,C[NH2+]Cc1cc(F)cc(OCc2cc(F)cc(C(=O)[OH])c2)c1
DelComponent,Remove a Cc1cc(I)c(CC(=O)[O-])c(C#N)c1 from the molecule halo.,Cc1ccc(CC(=O)[O-])c(C#N)c1
LogP,Modify the molecule COc1cccc(NC(=O)N(Cc2cn(C)c3ccccc23)C2CCCCC2)c1 to have a lower LogP value.,CONC(=O)N(Cc1cn(C)c2ccccc12)C1CCCCC1
MR,Please modify the molecule COc1ccccc1CC[NH2+]C1CCCC(C(C)C)CC1 to increase its MR value.,COc1ccccc1CC[NH2+]C1CCC(C(C)C)CCC1O
QED,Please optimize the molecule COc1ccc(-c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1 to have a higher QED value.,COc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1
AtomNum,"The molecule is composed of 15 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",Cc1cc(C)c(NC(=O)NCCc2c[nH]c(=O)[nH]c2=O)c(C)n1
BondNum,"The molecule consists of 7 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(N)cc1SCc1c(F)cccc1F
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 amide group, 3 amine groups, 1 sulfide group, and 1 sulfone group.",CCc1nc(NCc2cccc(C)c2C)nc(NCC2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4nnc(C)s4)cc3)CC2)n1
AddComponent,Add a amine to the molecule Cc1ccccc1CC([NH3+])Cc1cc(Cl)ccc1Cl.,Cc1ccccc1CC([NH3+])Cc1cc(Cl)c(N)cc1Cl
SubComponent,Substitute a CCCCCC1CCC(C2CCC(O)CC2)CC1 in the molecule hydroxyl with a thiol.,CCCCCC1CCC(C2CCC(S)CC2)CC1
DelComponent,Please remove a amide from the molecule COc1ccc2c(C(=O)NC(c3ccccc3)C(C)C)c(C[NH+]3CCC([NH+]4CCCCC4)CC3)c(-c3ccccc3)nc2c1.,COc1ccc2c(c1)nc(-c1ccccc1)c-2(C[NH+]1CCC([NH+]2CCCCC2)CC1)C(c1ccccc1)C(C)C
LogP,Modify the molecule Cc1ccc(S(=O)(=O)Nc2cc(Sc3cccc4cccnc34)c(O)c3ccccc23)cc1 to have a higher LogP value.,CC(=O)c1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccc(C)cc2)c2ccccc12
MR,Please optimize the molecule Fc1ccc(C2(CNC(=S)Nc3cccnc3Cl)CCCC2)cc1 to have a higher MR value.,OC(NC(=S)Nc1cccnc1Cl)C1(c2ccc(F)cc2)CCCC1
QED,Please optimize the molecule CC([NH3+])C(NC(=O)c1ccc(-c2cncn2C)cc1)C(=O)NO to have a higher QED value.,CC([NH3+])C(NC(=O)c1ccc(-c2cncn2C)cc1)C(=O)NS
AtomNum,"The molecule contains 12 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",O=C([O-])C1c2ccsc2CCN1c1ncc(F)cn1
BondNum,"The molecule contains 21 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",CC(C)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C2=O
FunctionalGroup,"The molecule contains 1 amide group, and 1 halo group.",CC(C)C(C)C(=O)N(CCBr)C1CCCC1
AddComponent,Modify the molecule Cn1cc(CC[NH+](C)CC2(O)CCOCC2)cn1 by adding a hydroxyl.,Cn1cc(CC(O)[NH+](C)CC2(O)CCOCC2)cn1
SubComponent,Substitute a halo in the molecule C#CCOc1c(C)cc(I)cc1C(=O)[O-] with a carboxyl.,C#CCOc1c(C)cc(C(=O)[OH])cc1C(=O)[O-]
DelComponent,Modify the molecule CNc1cc(N2CCCCCC2CO)nc(C(C)(C)C)n1 by removing a hydroxyl.,CNc1cc(N2CCCCCC2C)nc(C(C)(C)C)n1
LogP,Please modify the molecule O=S1(=O)CC(NCCCc2ccccc2)C(S(=O)(=O)c2ccc(Cl)s2)C1 to decrease its LogP value.,O=S1(=O)CC(NCCCc2ccccc2)C(S(=O)(=O)c2cccs2)C1
MR,Modify the molecule CC(C)c1cc(C(=O)NS(=O)(=O)c2ccccc2Cn2ccnc2)n[nH]1 to decrease its MR value.,CC(C)c1cc(C(=O)NS(=O)(=O)Cn2ccnc2)n[nH]1
QED,Modify the molecule CC(C)c1ccc2c(Nc3cc(C(=O)NCCc4ccccc4)ccc3Sc3ccc(NC(=O)OCC(Cl)(Cl)Cl)cc3)ncnc2n1 to increase its QED value.,CCNC(=O)c1ccc(Sc2ccc(NC(=O)OCC(Cl)(Cl)Cl)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1
AtomNum,"The molecule has 11 carbon atoms, and 6 nitrogen atoms.",Nc1nnnn1Cc1cccc2cccnc12
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",Cc1ncccc1C(=O)N(C1COc2c(F)cc(F)cc21)C(C(N)=O)c1cccnc1
FunctionalGroup,The molecule has and 1 benzene ring group.,C=C(C(C)=N)c1ccccc1OC
AddComponent,Add a aldehyde to the molecule O=C(c1ccccc1C(F)(F)F)N1CCN(C2CCS(=O)(=O)C2)CC1.,O=CCc1ccc(C(F)(F)F)c(C(=O)N2CCN(C3CCS(=O)(=O)C3)CC2)c1
SubComponent,Modify the molecule halo by substituting a Cc1occc1C([NH3+])c1ccccc1F with a aldehyde.,CC(=O)c1ccccc1C([NH3+])c1ccoc1C
DelComponent,Remove a amide from the molecule CCCCCC(C)C(C)S(=O)c1cc2c(c(OC(C)=O)c1)C1CC(NC(C)=O)CCC1C(C)N2.,CCCCCC(C)C(C)S(=O)c1cc2c(c(OC(C)=O)c1)C1CCCCC1C(C)N2
LogP,Modify the molecule CC1(C)OB(c2cccc(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)c2)OC1(C)C to decrease its LogP value.,CC1(C)OB(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)OC1(C)C
MR,Modify the molecule CC[NH+](CC)C(C)(C)C(=O)c1ccccc1F to have a lower MR value.,CC[NH+](CC)C(C)(C)C(=O)F
QED,Optimize the molecule C[NH2+]C(C)CNc1ccccc1[N+](=O)[O-] to have a lower QED value.,C[NH2+]C(C)(O)CNc1ccccc1[N+](=O)[O-]
AtomNum,"The molecule has 19 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",O=c1oc2ccccc2c(N2CCCCC2)c1C[NH+]1CCCC1
BondNum,"Please generate a molecule composed of 17 single bonds, 2 double bonds, 6 rotatable bonds, and 5 aromatic bonds.",CCC(C)NC(=O)c1cc(OCC(=O)N2CCOCC2)n(C)n1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 halo group, and 1 sulfide group.",Fc1cccc(-c2ccc(C[NH+]3CCN(CCN4CCCC4)CC3)s2)c1
AddComponent,Please add a amine to the molecule COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)s3)CC2)c1.,COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)s3)C(N)C2)c1
SubComponent,Substitute a CNC(=O)N1N=C(c2cc(N3CC[NH+](C)CC3)c(Br)cc2Br)c2cc(OC)c(OC)cc2CC1C in the molecule halo with a aldehyde.,CC(=O)c1cc(Br)c(C2=NN(C(=O)NC)C(C)Cc3cc(OC)c(OC)cc32)cc1N1CC[NH+](C)CC1
DelComponent,Modify the molecule Nc1cccc(CC(=O)OCc2ccc(F)c(Cl)c2)c1 by removing a amine.,O=C(Cc1ccccc1)OCc1ccc(F)c(Cl)c1
LogP,Optimize the molecule CC(=O)Nc1ccc(C(=O)NCC(CC(C)C)C(=O)[O-])s1 to have a lower LogP value.,CC(=O)Nc1ccc(C(=O)NCC(CC(C)CN)C(=O)[O-])s1
MR,Please modify the molecule CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2sccc2C)c1 to increase its MR value.,COc1ccc(S(=O)(=O)N(c2ccccc2)C(C)O)cc1NC(=O)c1sccc1C
QED,Modify the molecule CC(C)C=CC(=O)Nc1ccc(F)cc1 to decrease its QED value.,CC(C)C=CC(=O)Nc1ccc(S)cc1
AtomNum,"Please generate a molecule with 23 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCNC(=O)C1CC([NH2+]Cc2ccc(OC)c(C)c2)CN1Cc1ccccc1
BondNum,"There is a molecule consisting of 20 single bonds, 4 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC(=O)SCC(CSC(C)=O)C(=O)N1C(C(=O)[O-])Cc2ccc(O)c(O)c2C1C
FunctionalGroup,"Please generate a molecule consisting 1 amide group, 1 thioether group, and 3 sulfide groups.",Cc1nc(SCC(=O)Nc2nnc(C(C)C)o2)c2c(-c3cccs3)csc2n1
AddComponent,Add a amine to the molecule CC1(C[NH2+]Cc2ccc(C[NH3+])o2)CCC1.,CC1(C[NH2+]C(N)c2ccc(C[NH3+])o2)CCC1
SubComponent,Substitute a halo in the molecule C=CCC(CCN(C(=O)[O-])C(C)C1CCCCC1)c1ccc(F)cc1 with a hydroxyl.,C=CCC(CCN(C(=O)[O-])C(C)C1CCCCC1)c1ccc(O)cc1
DelComponent,Modify the molecule benzene ring by removing a CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Br)c2)o1.,CN(C)S(=O)(=O)c1ccc(C[NH2+]CBr)o1
LogP,Please optimize the molecule OCCn1cc(C[NH2+]C2CCC(C(F)(F)F)CC2)cn1 to have a lower LogP value.,OCCn1cc(C[NH2+]C2CCC(C(F)F)CC2)cn1
MR,Please modify the molecule Cc1cc(Br)cc(C(=O)c2cncnc2)c1 to decrease its MR value.,Cc1cccc(C(=O)c2cncnc2)c1
QED,Modify the molecule CC(=O)C(C(C)=O)n1cc(CO)c2cccc(C)c21 to decrease its QED value.,CC(=O)C(C(C)=O)n1cc(C)c2cccc(C)c21
AtomNum,"There is a molecule composed of 28 carbon atoms, 13 oxygen atoms, and 1 nitrogen atom.",C=CC(=O)OCCCCC(=O)OC1CON(OC(=O)CCCCOC(=O)C=C)CC1OC(O)CCCCOC(=O)C=C
BondNum,"There is a molecule with 24 single bonds, 4 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",O=C(Oc1ccccc1)N1CCC2=C([NH2+]C3C=CC(Cl)=CC23)C1c1ccc(OCCC(O)CO)cc1
FunctionalGroup,The molecule contains and 1 amide group.,CCC(C)N(C(=O)CC1CC1)C(C)CC
AddComponent,Modify the molecule O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[NH+](CC(=O)N2CCCC2)CC1 by adding a amine.,NC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1
SubComponent,Please substitute a hydroxyl in the molecule CC(C)(CCC(=O)NCCO)c1ccccc1 with a aldehyde.,CC(=O)CCNC(=O)CCC(C)(C)c1ccccc1
DelComponent,Modify the molecule nitrile by removing a CCCC1CCCC(C#N)(O[Si](C)(C)C)CC1.,CCCC1CCCC(O[Si](C)(C)C)CC1
LogP,Please optimize the molecule CCC[NH2+]C(COC(C)C)C(CCC)CCC to have a higher LogP value.,CCC[NH2+]C(S)(COC(C)C)C(CCC)CCC
MR,Optimize the molecule Cc1ccc(NC(=O)c2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1NC(=O)c1ccc(Cl)nc1 to have a lower MR value.,Cc1ccc(NC(=O)c2cc(C(F)F)cc(N3CCOCC3)c2)cc1NC(=O)c1ccc(Cl)nc1
QED,Modify the molecule Cc1cc(NN)cc(C)c1S(=O)(=O)Nc1ncccc1Cl to decrease its QED value.,Cc1cc(NN)cc(C)c1S(=O)(=O)Nc1ccccn1
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, 2 fluorine atoms, and 1 bromine atom.",O=C(CCOCC(F)F)c1ccc(Br)c2ccccc12
BondNum,"There is a molecule composed of 17 single bonds, 4 double bonds, 12 rotatable bonds, and 21 aromatic bonds.",COc1ccc2c(c1)c(CC(=O)NCCCCNS(=O)(=O)c1cccc3c(N(C)C)cccc13)c(C)n2C=O
FunctionalGroup,"The molecule consists of 1 amide group, 1 sulfide group, and 1 sulfone group.",O=C(CN1CCS(=O)(=O)CC1)NCc1cn2ccsc2[nH+]1
AddComponent,Modify the molecule CC#CC1([NH3+])CCC(C(C)(C)CC)CC1 by adding a benzene ring.,CC#CC1([NH3+])CCC(C(C)(C)CC)CC1c1ccccc1
SubComponent,Modify the molecule CCOC(=O)C1(O)CCc2cc(C)ccc21 by substituting a hydroxyl with a halo.,CCOC(=O)C1(F)CCc2cc(C)ccc21
DelComponent,Modify the molecule hydroxyl by removing a CSCCC([NH3+])C(=O)NC(C(=O)NC(CC(=O)[O-])C(=O)NC(CO)C(=O)[O-])C(C)C.,CSCCC([NH3+])C(=O)NC(C(=O)NC(CC(=O)[O-])C(=O)NC(C)C(=O)[O-])C(C)C
LogP,Please modify the molecule CC(C)(O)C(C)(C)OB(O)c1cc(F)cc(C(=O)[O-])c1 to decrease its LogP value.,CC(C)(O)C(C)(C)OB(O)c1cccc(C(=O)[O-])c1
MR,Modify the molecule N#Cc1cc(N)cnc1Nc1ccccc1 to have a higher MR value.,Nc1cnc(Nc2ccccc2)c(S)c1
QED,Please optimize the molecule CC1OC(C)(C23CC4CC(CC(C4)C2)C3)OC1=O to have a lower QED value.,CC1OC(C)(C23CC4CC(CC(C4)C2CC=O)C3)OC1=O
AtomNum,"The molecule is composed of 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 fluorine atoms.",CCc1nc(C(N)=O)c(F)c(F)c1Oc1ccccc1
BondNum,"The molecule contains 16 single bonds, 1 double bond, and 7 rotatable bonds.",O=C(CCCCBr)N(CCO)C1CCCCC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 nitro group, 1 halo group, 1 thioether group, and 1 sulfide group.",COCCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(Cl)ccc2c1=O
AddComponent,Modify the molecule Cc1ccc2c(Cl)c(C3=NC(=Cc4ccccc4OC(=O)c4sc5cc([N+](=O)[O-])ccc5c4Cl)C(=O)O3)sc2c1 by adding a hydroxyl.,Cc1cc2sc(C3=NC(=Cc4ccccc4OC(=O)c4sc5cc([N+](=O)[O-])ccc5c4Cl)C(=O)O3)c(Cl)c2cc1O
SubComponent,Substitute a hydroxyl in the molecule CCn1ccnc1C(C)(O)c1sccc1C with a aldehyde.,CC(=O)C(C)(c1sccc1C)c1nccn1CC
DelComponent,Modify the molecule CCC1C2(C)c3ccc(-c4nnc(-c5ccc(C(F)(F)F)cc5)o4)cc3-c3cccc[n+]3C12C by removing a benzene ring.,CCC1C2(C)c3ccc(-c4nnc(C(F)(F)F)o4)cc3-c3cccc[n+]3C12C
LogP,Optimize the molecule CCC1CC[NH2+]C(C(=O)N(CC(=O)[O-])CC(F)(F)F)C1 to have a lower LogP value.,CCC1CC[NH2+]C(C(=O)N(CC(=O)[O-])CC(F)(F)C#N)C1
MR,Optimize the molecule O=C(Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1F to have a lower MR value.,O=C(Nc1ccccc1Cl)c1cccc(C(F)F)c1F
QED,Modify the molecule CC(C)C[NH+](CC(=O)c1ccc(O)cc1O)CC(C)C to decrease its QED value.,CC(C)C[NH+](CC(=O)c1c(O)cc(O)cc1CC=O)CC(C)C
AtomNum,"There is a molecule consisting of 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",C[NH2+]CC1CCCN(S(=O)(=O)c2cccc(C(C)C)c2)C1
BondNum,"There is a molecule consisting of 7 single bonds, 6 rotatable bonds, and 21 aromatic bonds.",Fc1ccc(-c2[nH]ncc2C[NH2+]CCc2c[nH]c3ccccc23)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amide group.",Cc1ccc(C2c3cccn3CC[NH+]2Cc2ccc(C(=O)NCc3ccncc3)o2)cc1
AddComponent,Add a benzene ring to the molecule CCOc1nc(C)ccc1C(=O)NC1CCN(c2ccccc2)C1.,CCOc1nc(C)ccc1C(=O)NC1CCN(c2cccc(-c3ccccc3)c2)C1
SubComponent,Substitute a O=C(Nc1ccc(OCCO)cc1)c1cncc2ccccc12 in the molecule hydroxyl with a halo.,O=C(Nc1ccc(OCCI)cc1)c1cncc2ccccc12
DelComponent,Modify the molecule CCCO[Si](OCCC)(OCCC)c1c(F)cc(F)cc1F by removing a halo.,CCCO[Si](OCCC)(OCCC)c1ccc(F)cc1F
LogP,Modify the molecule Oc1cccc(N2CCCC(O)C2)c1 to have a higher LogP value.,CC(=O)c1cccc(N2CCCC(O)C2)c1
MR,Modify the molecule CC(CC(=O)OC(=O)C(F)(F)F)N1C(=O)c2cc(CCCCC[NH+]=C(N)N)ccc2N(Cc2ccccc2)C(=O)C1c1ccccc1 to increase its MR value.,CC(CC(=O)OC(=O)C(F)(F)F)N1C(=O)c2cc(CCCCC[NH+]=C(N)N)ccc2N(Cc2ccccc2)C(=O)C1c1ccccc1-c1ccccc1
QED,Modify the molecule Cc1ccc(Cl)c(Oc2cccc3ccccc23)c1F to have a higher QED value.,Cc1ccc(Cl)c(Oc2cccc3ccccc23)c1
AtomNum,"There is a molecule with 12 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 bromine atom.",CCNc1ncc(Br)c(N2CCC(COC)C2)n1
BondNum,"There is a molecule composed of 10 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1cc(C)c(C(=O)NC(C)(C)C(N)=S)c(C)c1
FunctionalGroup,There is a molecule with and 2 amine groups.,CC(=NNC(N)=S)c1ncc(C)c2ccccc12
AddComponent,Modify the molecule C=C(C)C(=O)Oc1ccc(N=Nc2ccc(-c3ccc(N=Nc4ccc(OC(=O)C(=C)C)c(C(F)(F)F)c4)c(S(=O)(=O)[O-])c3)cc2)cc1C by adding a hydroxyl.,C=C(C)C(=O)Oc1ccc(N=Nc2ccc(-c3ccc(N=Nc4cc(C(F)(F)F)c(OC(=O)C(=C)C)cc4O)c(S(=O)(=O)[O-])c3)cc2)cc1C
SubComponent,Modify the molecule hydroxyl by substituting a CC1CCC[NH+](CC(N)=[NH+]O)C1C with a halo.,CC1CCC[NH+](CC(N)=[NH+]Cl)C1C
DelComponent,Please remove a amide from the molecule CCCCCCCCCCCC[NH+]1C(C)(C)CC(N2C(=O)CCC2=O)CC1(C)C.,CCCCCCCCCCCC[NH+]1C(C)(C)CC(C(C)=O)CC1(C)C
LogP,Please optimize the molecule CSC1CCC([NH2+]CC(=O)NC(C)(C)C)CC1 to have a higher LogP value.,CSC1CCC([NH2+]C(C)(C)C)CC1
MR,Optimize the molecule O=C([O-])C1CCN(c2ncc(F)cn2)C1 to have a higher MR value.,CC(=O)c1cnc(N2CCC(C(=O)[O-])C2)nc1
QED,Modify the molecule CC[NH2+]C(C)c1cccc(NC(=O)N(C)C(C)C2CC2)c1 to decrease its QED value.,CC(O)[NH2+]C(C)c1cccc(NC(=O)N(C)C(C)C2CC2)c1
AtomNum,"The molecule consists of 22 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",CCC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(SC)cccc21
BondNum,"Please generate a molecule with 11 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",C[NH2+]C(c1ccc(OC)c(F)c1)C1CC1C
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 thioether group, and 1 sulfide group.",C=CCCC(Sc1ccccc1)P1(=O)OCC=CCO1
AddComponent,Modify the molecule CC1CCN(S(=O)(=O)NC2CCCCCC2O)CC1 by adding a benzene ring.,CC1(c2ccccc2)CCN(S(=O)(=O)NC2CCCCCC2O)CC1
SubComponent,Substitute a hydroxyl in the molecule COC(=O)c1cc(N(C)CC2(O)CCCC2)cc(C)c1N with a nitro.,COC(=O)c1cc(N(C)CC2(NO)CCCC2)cc(C)c1N
DelComponent,Remove a benzene ring from the molecule [NH3+]CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1.,[NH3+]CCOc1ccc(NC(=O)C2CCCC2)cc1
LogP,Modify the molecule CC(C)(C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 to increase its LogP value.,CC(C)(C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCCC1
MR,Modify the molecule CC1=C(c2nc(-c3cccc(C)c3)no2)C(c2ccc(F)cc2)NC(=O)N1Cc1ccc(C)cc1 to increase its MR value.,CC1=C(c2nc(-c3cccc(C)c3)no2)C(c2ccccc2)NC(=O)N1Cc1ccc(C)cc1
QED,Modify the molecule FC(F)(F)[Sn] to have a lower QED value.,FC(F)[Sn]
AtomNum,"There is a molecule consisting of 17 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",COC(=O)c1ccc(Cl)c(NC(=O)CN(CC2CCCO2)C(C)=O)c1
BondNum,"The molecule is composed of 12 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CCC1CCC(Nc2ncc(C)cc2Br)C1C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 2 amine groups, and 2 halo groups.",NC(=O)C1CCC(n2c(Nc3cccc(F)c3Cl)nc3cnc(NC4CCOCC4)nc32)CC1
AddComponent,Please add a carboxyl to the molecule COc1ccccc1CNc1cc[nH+]c(C(=O)Nc2ccc(C#N)cc2)c1.,COc1ccccc1CNc1cc(C(=O)O)[nH+]c(C(=O)Nc2ccc(C#N)cc2)c1
SubComponent,Substitute a CCCC[NH+]1CCN(c2cc(Cl)nc(-n3ccnc3)n2)C(CC(=O)NCc2ccc(C)cc2)C1 in the molecule halo with a aldehyde.,CC(=O)c1cc(N2CC[NH+](CCCC)CC2CC(=O)NCc2ccc(C)cc2)nc(-n2ccnc2)n1
DelComponent,Remove a COc1ccc(C(=O)C[NH+](CCC(C)C)C2CC2)cc1Br from the molecule halo.,COc1ccc(C(=O)C[NH+](CCC(C)C)C2CC2)cc1
LogP,Optimize the molecule COc1c(C#N)cc(C(C)C)c(OC)c1Br to have a lower LogP value.,COc1c(C#N)cc(C(C)C)c(OC)c1C#N
MR,Please modify the molecule OCc1cccc(-c2cccc3ncccc23)c1 to increase its MR value.,ONCc1cccc(-c2cccc3ncccc23)c1
QED,Please modify the molecule Cc1cc(-c2cc(C(=O)NC3CCCC3)on2)nc(NC2CCCC2)n1 to increase its QED value.,Cc1cc(-c2cc(C(=O)NC3CCCC3)on2)nc(C2CCCC2)n1
AtomNum,"There is a molecule composed of 10 carbon atoms, 1 oxygen atom, and 1 sulfur atom.",C1=CCCC(C2=CSC=CO2)=C1
BondNum,"The molecule consists of 11 single bonds, 1 double bond, 4 rotatable bonds, and 23 aromatic bonds.",O=C(CSc1nnc(-c2cccc(F)c2)o1)N1c2ccccc2CCc2ccccc21
FunctionalGroup,"The molecule consists of 1 halo group, and 1 sulfone group.",O=C([N-]S(=O)(=O)Cl)OCC1CCOC1
AddComponent,Modify the molecule COCCCN1C(=O)SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O by adding a benzene ring.,COCCCN1C(=O)SC(=Cc2ccc(-c3c(OC)cc([N+](=O)[O-])cc3-c3ccccc3)o2)C1=O
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)N(CC1CC1)C(=O)c1ccc(C#CCO)c(Cl)c1 with a nitro.,CC(C)N(CC1CC1)C(=O)c1ccc(C#CCNO)c(Cl)c1
DelComponent,Please remove a amine from the molecule Cc1ccc2cc(CCNS(=O)(=O)c3ccc(C)c(C)c3)c(=O)[nH]c2c1.,Cc1ccc2cc(CCS(=O)(=O)c3ccc(C)c(C)c3)c(=O)[nH]c2c1
LogP,Modify the molecule CC1(C)CN(C(=O)Nc2cncnc2)C2COCC21 to decrease its LogP value.,CC1(CO)CN(C(=O)Nc2cncnc2)C2COCC21
MR,Modify the molecule CCCC1CC1[NH2+]CCSC1CC[NH2+]CC1 to have a higher MR value.,CCCC1CC1[NH2+]CCSC1CC[NH2+]C(S)C1
QED,Modify the molecule CC(C)(C)c1ccc(C(O)C=O)cc1 to decrease its QED value.,CC(C)(C)c1ccc(C(C=O)C(=O)[OH])cc1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",CN1C(=O)C(Cc2ccc(Br)nc2)N(C(=O)[O-])C1C(C)(C)C
BondNum,"The molecule consists of 10 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(F)cc1Oc1ccc(CBr)cc1C(F)(F)F
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, 1 halo group, 1 nitrile group, and 2 sulfide groups.",Cc1ccc(-c2sc(C#N)c(N)c2-c2cccs2)cc1Cl
AddComponent,Add a hydroxyl to the molecule C=C(CC(=O)[O-])C(=C)C(=C)C(=C)C(=C)C(=C)C(N)=O.,C=C(CC(=O)[O-])C(=C)C(=C)C(=C)C(=C)C(=CO)C(N)=O
SubComponent,Please substitute a halo in the molecule COc1ccc(C2Nc3ccccc3-c3cn[nH]c4ncc2c3-4)cc1F with a hydroxyl.,COc1ccc(C2Nc3ccccc3-c3cn[nH]c4ncc2c3-4)cc1O
DelComponent,Modify the molecule O=C(c1cc(F)c(F)c(F)c1)c1c(F)cccc1F by removing a halo.,O=C(c1ccc(F)c(F)c1)c1c(F)cccc1F
LogP,Please optimize the molecule Cc1cccc(C(=O)NCC(=O)OCC(=O)NC(=O)Nc2ccccc2F)c1 to have a higher LogP value.,Cc1cccc(C(=O)NCC(=O)OC(=O)Nc2ccccc2F)c1
MR,Modify the molecule CC=CC(C)C=C(CC)CC[NH+](C)C(C)C to increase its MR value.,CC=CC(C)C=C(CC)CC[NH+](C)C(C)CO
QED,Please modify the molecule O=C1CCC(C2[NH2+]CCc3c(F)ccc(F)c32)=NN1 to decrease its QED value.,O=C1CCC(C2[NH2+]CCc3c(S)ccc(F)c32)=NN1
AtomNum,"Please generate a molecule with 21 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1ccsc1C(C[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1)N(C)C
BondNum,"There is a molecule consisting of 19 single bonds, 1 double bond, and 8 rotatable bonds.",CCNC(=[NH+]CCCSC)N(C)CC1CCC[NH+]1CC
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 2 amine groups, 1 nitro group, and 1 sulfone group.",COc1ccc(OC)c(Nc2nc3cccnc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1
AddComponent,Add a benzene ring to the molecule CN(CCC#N)CC(=O)NC1CCCCC1.,CN(CC(=O)NC1CCCCC1)C(CC#N)c1ccccc1
SubComponent,Please substitute a COc1ccc(-n2cnnc2SCC(=O)N(CCC#N)Cc2ccco2)cc1 in the molecule nitrile with a thiol.,COc1ccc(-n2cnnc2SCC(=O)N(CCS)Cc2ccco2)cc1
DelComponent,Modify the molecule halo by removing a Fc1ccc(CNn2cccc2)c(F)c1.,Fc1ccccc1CNn1cccc1
LogP,Please modify the molecule CC([NH3+])C(=O)N1CCN(c2nc(-c3ccccc3Cl)c3cc(Br)ccc3n2)CC1 to decrease its LogP value.,CC([NH3+])C(=O)N1CCN(c2nc(-c3ccccc3Cl)c3ccccc3n2)CC1
MR,Please modify the molecule CC(C(=O)Nc1ccc2c(c1)nc(CCc1ccc(C(N)=[NH2+])cc1)n2C)[NH+]1CCC(Nc2cccc(Cl)c2)CC1 to increase its MR value.,CC(C(=O)Nc1ccc2c(c1)nc(CC(c1ccccc1)c1ccc(C(N)=[NH2+])cc1)n2C)[NH+]1CCC(Nc2cccc(Cl)c2)CC1
QED,Modify the molecule C=C(C)CC(C)(C)C1(C)C=CC(=O)C=CC1 to increase its QED value.,CC(=CO)CC(C)(C)C1(C)C=CC(=O)C=CC1
AtomNum,"There is a molecule composed of 10 carbon atoms, and 1 oxygen atom.",C1CCC2CC2C2(CC1)CO2
BondNum,"There is a molecule composed of 10 single bonds, 5 double bonds, and 10 rotatable bonds.",C=CCN(CC=C)C(=[Se])N(CC=C)CC=C
FunctionalGroup,There is a molecule composed of and 4 amide groups.,O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2noc3c2CCCCC3)CC1
AddComponent,Add a benzene ring to the molecule N#Cc1ccc(-n2cnc3c(=O)nc(-c4ccc(C5OC(CO)C(O)C(=O)C5=O)cc4)[nH]c32)cc1.,N#Cc1ccc(-n2cnc3c(=O)nc(-c4ccc(C5OC(CO)C(O)C(=O)C5=O)c(-c5ccccc5)c4)[nH]c32)cc1
SubComponent,Modify the molecule halo by substituting a COc1ccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(Sc3ccccc3)C2=O)cc1OC with a nitro.,COc1ccc(N2C(=O)C(Nc3ccc(NO)c(F)c3)=C(Sc3ccccc3)C2=O)cc1OC
DelComponent,Modify the molecule benzene ring by removing a O=c1cc(-c2ccc(NCc3ccn[nH]3)cc2)[nH][nH]1.,O=c1cc(NCc2ccn[nH]2)[nH][nH]1
LogP,Optimize the molecule O=C=CN1C(=O)c2ccccc2S1(=O)=O to have a lower LogP value.,O=C=CN1C(=O)c2cccc(O)c2S1(=O)=O
MR,Please optimize the molecule COC(=O)C1=C(C(=O)OC)C2(SCCS2)c2ccccc2C1O[Si](C)(C)c1ccccc1 to have a lower MR value.,COC(=O)C1=C(C(=O)OC)C2(SCCS2)c2ccccc2C1O[Si](C)C
QED,Modify the molecule Cc1cc(Nc2nc(CCC(=O)[O-])cs2)ccc1Br to decrease its QED value.,Cc1cc(-c2nc(CCC(=O)[O-])cs2)ccc1Br
AtomNum,"There is a molecule with 19 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 1 chlorine atom, and 1 bromine atom.",CS(=O)(=O)N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)CC1
BondNum,"There is a molecule composed of 14 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
FunctionalGroup,"Please generate a molecule composed of 1 ester group, 2 amide groups, and 1 sulfide group.",CCCOC(=O)c1c(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)sc(C(N)=O)c1C
AddComponent,Modify the molecule CCCNC(=O)C(C)[NH+](CCC[NH3+])C1CCCCC1 by adding a benzene ring.,CCCNC(=O)C(C)[NH+](CCC[NH3+])C1CCCCC1c1ccccc1
SubComponent,Modify the molecule CC1=CC2=NC(C(C)Cl)=[NH+]C(=O)C2C=C1 by substituting a halo with a hydroxyl.,CC1=CC2=NC(C(C)O)=[NH+]C(=O)C2C=C1
DelComponent,Modify the molecule Cc1noc2c1-c1ccccc1C(c1ccc(F)cc1)=NC2CC(=O)C(C)(C)C by removing a halo.,Cc1noc2c1-c1ccccc1C(c1ccccc1)=NC2CC(=O)C(C)(C)C
LogP,Please modify the molecule CC=CCC[NH2+]C(CN)c1cccc(C(F)F)c1 to decrease its LogP value.,CC=CCC[NH2+]C(CN)c1cccc(C(O)F)c1
MR,Modify the molecule Cc1c[nH+]c(CCNC(=O)c2ccncc2)n1CC1CC1 to have a higher MR value.,Cc1c[nH+]c(CCNC(=O)c2ccncc2)n1CC1(O)CC1
QED,Modify the molecule CCC[P+](=O)OC(N)C(C)(C)S to increase its QED value.,CC(=O)C(C)(C)C(N)O[P+](=O)CCC
AtomNum,"The molecule contains 75 carbon atoms, 20 oxygen atoms, and 16 nitrogen atoms.",CCN(CCN(CC(=O)NCC(=O)NC(C)C(=O)NC(CCC(=O)OC1CC(C(=O)NCC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NCC(=O)NCC(N)=O)N(C(C)=O)C1)C(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1
BondNum,"The molecule is composed of 19 single bonds, 2 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",Cc1cc(O)cc(C)c1CC([NH3+])C(=O)NC1CCN(CC(N)=O)c2ccc(Cc3ccccc3)cc21
FunctionalGroup,"The molecule has 6 hydroxyl groups, 2 amide groups, 2 amine groups, and 2 halo groups.",O=C(CO)NC1CC(n2cnc3c(NC4CCC(NC(=O)N5CCC(Nc6nc(Cl)nc7c6ncn7C6CC(NC(=O)CO)C(O)C6O)C5)CC4)nc(Cl)nc32)C(O)C1O
AddComponent,Please add a benzene ring to the molecule N#Cc1ccc(-n2nc(Cc3ccccc3)c3c2NCC3)cc1.,N#Cc1ccc(-n2nc(Cc3ccccc3)c3c2NC(c2ccccc2)C3)cc1
SubComponent,Modify the molecule nitrile by substituting a N#CC(c1ccccc1)c1ccc(N2C(=O)c3ccccc3C2C#N)cc1Cl with a carboxyl.,N#CC1c2ccccc2C(=O)N1c1ccc(C(C(=O)[OH])c2ccccc2)c(Cl)c1
DelComponent,Remove a amide from the molecule CCNC(NCC1CC(=O)Nc2ccccc21)=[NH+]Cc1c(C)cc(C)cc1C.,CCNC(NCC1c2ccccc21)=[NH+]Cc1c(C)cc(C)cc1C
LogP,Optimize the molecule O=C(c1ccc(C[NH+]2CCSCC2)cc1)c1cc(F)c(F)c(F)c1 to have a lower LogP value.,O=C(c1ccc(C[NH+]2CCSC(O)C2)cc1)c1cc(F)c(F)c(F)c1
MR,Modify the molecule CCCCC(C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 to have a higher MR value.,CCCC(S)C(C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2
QED,Modify the molecule CC(=O)CCNc1ccccc1C(F)(F)F to have a lower QED value.,CC(=O)CCNc1ccccc1C(F)F
AtomNum,"There is a molecule consisting of 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCCS(=O)(=O)NC1CCCN(C(=O)c2cccc(OCC)c2)C1
BondNum,"There is a molecule with 6 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",Cc1ccc(CCc2nc(C=O)c3cc(Br)ccn23)cc1
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,CCCC1(C(=O)[O-])CCN(C(=O)CCCOCC)C1
AddComponent,Please add a benzene ring to the molecule CC[NH+]1CCN(C(=O)C(C)(C)C(=O)N2CCN(c3ncccn3)CC2)CC1.,CC[NH+]1CCN(C(=O)C(C)(C)C(=O)N2CCN(c3ncccn3)CC2)CC1c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule NC(=O)Cc1ccc(OCC[NH2+]CC(O)c2ccc(O)cc2)cc1 with a thiol.,NC(=O)Cc1ccc(OCC[NH2+]CC(S)c2ccc(O)cc2)cc1
DelComponent,Remove a CC1CC1CN(C)c1nc(Cl)ncc1Br from the molecule halo.,CC1CC1CN(C)c1ccnc(Cl)n1
LogP,Please optimize the molecule CCOC(=O)CS(=O)(=O)N(CC=Cc1cccc(C#N)c1)c1cc(Cl)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1 to have a lower LogP value.,CCOC(=O)CS(=O)(=O)N(CC=CC#N)c1cc(Cl)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1
MR,Please modify the molecule Cc1cccc(C[NH+](C)CC(C)(C)CS)c1 to decrease its MR value.,CC[NH+](C)CC(C)(C)CS
QED,Please modify the molecule [NH3+]Cc1cnc(Oc2ccccc2Br)cn1 to decrease its QED value.,[NH3+]Cc1cnc(Oc2ccccc2)cn1
AtomNum,"The molecule has 33 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 2 fluorine atoms.",COc1ccc(C[NH+](CCC(CO)NC(=O)c2cc3c(cnn3CC(C)C)cc2Oc2ccc(F)cc2F)C(C)C)cc1
BondNum,"The molecule contains 12 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1(C)C(N)=[NH+]C(c2cc(NC=O)ccc2F)CS1=O
FunctionalGroup,Please generate a molecule with and 1 amide group.,CCCc1cc(C(=O)N2CC(CC)N(C(=O)OCC)c3cc(C)c(C)cc32)no1
AddComponent,Please add a benzene ring to the molecule O=C([O-])C(Cc1cccc(Cl)c1)Cc1ccc(Br)cc1Cl.,O=C([O-])C(Cc1cccc(Cl)c1)Cc1cc(-c2ccccc2)c(Br)cc1Cl
SubComponent,Please substitute a hydroxyl in the molecule Cc1nc(C(O)CCCC(C)C)cs1 with a thiol.,Cc1nc(C(S)CCCC(C)C)cs1
DelComponent,Remove a benzene ring from the molecule COCOc1c(Cc2ccccc2)cc(Cc2ccccc2)cc1Pc1ccc(F)cc1C[NH+](C)C.,COCOc1c(Cc2ccccc2)cc(C)cc1Pc1ccc(F)cc1C[NH+](C)C
LogP,Modify the molecule CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC#N)c(I)c1 to have a lower LogP value.,CCCc1nc2ccc(Br)cc2c(=O)n1N=C[IH][IH]OCC#N
MR,Modify the molecule CCOCCCNC(NCCS(=O)(=O)NCC1CCCCO1)=[NH+]C to increase its MR value.,CCOCCCNC(NCCS(=O)(=O)NC(O)C1CCCCO1)=[NH+]C
QED,Modify the molecule O=C([O-])CCC1=NCC(c2ccccc2C(F)(F)F)O1 to have a lower QED value.,O=C([O-])CCC1=NCC(c2ccccc2C(F)F)O1
AtomNum,"There is a molecule with 21 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)Cc3cccc(F)c3)ccc21
BondNum,"Please generate a molecule composed of 13 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CCOCC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 halo groups.",CC(C)(C)[NH+](CCC(=O)[O-])Cc1ccc(F)cc1F
AddComponent,Modify the molecule Cc1cccc(CSCc2cc(N)ccc2O)c1 by adding a hydroxyl.,Cc1cccc(CSC(O)c2cc(N)ccc2O)c1
SubComponent,Substitute a hydroxyl in the molecule Cc1sc(CO)cc1S(=O)(=O)NC1CC2CCC1O2 with a carboxyl.,Cc1sc(CC(=O)[OH])cc1S(=O)(=O)NC1CC2CCC1O2
DelComponent,Remove a benzene ring from the molecule COc1ccc(C=CC(=O)c2cc(-c3cc(C)cc(C)c3)ccc2OCC[NH+](C)C)c(C[NH+](C)C)c1.,CCc1ccc(OCC[NH+](C)C)c(C(=O)C=Cc2ccc(OC)cc2C[NH+](C)C)c1
LogP,Modify the molecule CC(=O)N1CC(CCNC(=O)c2ccc(F)cc2)c2ccccc21 to decrease its LogP value.,CC(=O)N1CC(CCNC(=O)c2ccc(NO)cc2)c2ccccc21
MR,Please optimize the molecule Cc1ccc(S(=O)(=O)C(C(=O)[O-])c2ccccc2)c(C)c1 to have a lower MR value.,CCS(=O)(=O)C(C(=O)[O-])c1ccccc1
QED,Please modify the molecule CN1CCCC1C[NH+](C)CC(O)C1CCCC1 to increase its QED value.,CN1CCCC1C[NH+](C)CC(C#N)C1CCCC1
AtomNum,"There is a molecule composed of 30 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(NC(=O)c2ccc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc2)cc1
BondNum,"The molecule is composed of 5 single bonds, 3 rotatable bonds, and 16 aromatic bonds.",Cc1c(Cl)cccc1NCc1nc2ccccc2s1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, and 2 halo groups.",Fc1ccc(NCc2cnoc2C2CC2)c(F)c1
AddComponent,Please add a benzene ring to the molecule Nc1ccc2c(c1)N(CCl)C(=O)CS2.,Nc1cc2c(cc1-c1ccccc1)SCC(=O)N2CCl
SubComponent,Modify the molecule halo by substituting a COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OCc1ccc(C)cc1 with a aldehyde.,CC(=O)c1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(OC)c1OCc1ccc(C)cc1
DelComponent,Remove a benzene ring from the molecule CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(I)c1OCC(=O)OC.,CCO[IH]C(=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-])OCC(=O)OC
LogP,Optimize the molecule Cc1c(C(Cl)C(=O)N(C)C)cnn1C to have a lower LogP value.,Cc1c(C(O)C(=O)N(C)C)cnn1C
MR,Modify the molecule N#Cc1ccc(OCCCN2C(=O)CCC2=O)cc1 to increase its MR value.,N#Cc1ccc(OCCCN2C(=O)CCC2=O)c(CC=O)c1
QED,Please optimize the molecule [N-]=[N+]=Nc1ccc(C=C2CC(C=O)CC(=Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1 to have a higher QED value.,[N-]=[N+]=Nc1ccc(C=C2CCC(=Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1
AtomNum,"The molecule has 18 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CCC(=O)N1CC[NH+](C(c2cncnc2)c2ccc(Cl)cc2F)CC1
BondNum,"The molecule consists of 10 single bonds, 4 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",NC(=O)CN(CC(N)=O)C(=O)c1ccc(C(N)=S)cn1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ester group, 1 amide group, and 1 nitro group.",Cc1ccc(C(=O)OCC(=O)N2CCCCC2)cc1[N+](=O)[O-]
AddComponent,Modify the molecule CC(CO)NC(=O)NCC(c1cccnc1)C(C)C by adding a amine.,CC(CO)NC(=O)NCC(c1cncc(N)c1)C(C)C
SubComponent,Please substitute a halo in the molecule COc1ccc(CN(C)CC[NH2+]Cc2ccc(Cl)s2)cc1 with a aldehyde.,CC(=O)c1ccc(C[NH2+]CCN(C)Cc2ccc(OC)cc2)s1
DelComponent,Modify the molecule halo by removing a CC[NH2+]C(CSc1cccc(Cl)c1)Cc1sccc1Br.,CC[NH2+]C(CSc1ccccc1)Cc1sccc1Br
LogP,Modify the molecule COc1cnc(NC(=O)N2CCC3(C)C(C2)C3(F)F)s1 to have a lower LogP value.,COc1cnc(NC(=O)N2CCC3(C)C(C2)C3(F)S)s1
MR,Modify the molecule CCCOc1cccc2sc(NC3CCCC3)nc12 to increase its MR value.,OCCCOc1cccc2sc(NC3CCCC3)nc12
QED,Please optimize the molecule CCC(C)NC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccccc3C(=O)Nc3ccccc3C)CC2)ccc1Cl to have a higher QED value.,CCC(C)NC(=O)c1cc(NC(=O)C[NH+]2CCC(C(C)C(=O)Nc3ccccc3C(=O)Nc3ccccc3C)C2)ccc1Cl
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",CS(=O)(=O)C(CC1CC(c2ccc(-c3ccncc3F)cc2)=NO1)C(N)=O
BondNum,"The molecule consists of 19 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cncn2C2CC2)CC1
FunctionalGroup,"The molecule has 1 hydroxyl group, 2 ketone groups, and 1 amide group.",CC1=C2C(=O)c3c([O-])ccc(CNC(=O)OCC(C)(C)C)c3CC2CC2CC(=O)C(C(N)=O)=C([O-])C12O
AddComponent,Please add a benzene ring to the molecule NC(=O)CCC(=O)N1CCC(C2CC[NH+](Cc3cccc(F)c3F)CC2)C1.,NC(=O)CC(C(=O)N1CCC(C2CC[NH+](Cc3cccc(F)c3F)CC2)C1)c1ccccc1
SubComponent,Substitute a CC1=C(n2cnnc2-c2ccc(C#N)cc2)CN(C(C)C(=O)[O-])C(=O)N1c1cccc(C(F)(F)F)c1 in the molecule nitrile with a carboxyl.,CC1=C(n2cnnc2-c2ccc(C(=O)[OH])cc2)CN(C(C)C(=O)[O-])C(=O)N1c1cccc(C(F)(F)F)c1
DelComponent,Modify the molecule Cc1ccc(C(NC(=O)Cn2cnc3c(cnn3C)c2=O)c2ccccc2)cc1 by removing a benzene ring.,CC(NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1
LogP,Modify the molecule Brc1ccc(NCc2ccccc2)c(Br)n1 to have a lower LogP value.,Brc1ccc(NCc2ccccc2)cn1
MR,Modify the molecule CC(C)Cc1cc(C(=O)NCC2(O)CCS(=O)(=O)C2)cc(=O)[nH]1 to increase its MR value.,CC(C)Cc1cc(C(=O)NCC2(C#N)CCS(=O)(=O)C2)cc(=O)[nH]1
QED,Modify the molecule CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])c(SC(C)(C)C)c4cc(OCc5cn6ccccc6[nH+]5)ccc43)cc2)cn1 to have a higher QED value.,CCOc1ccc(Cn2c(CC(C)(C)C(=O)[O-])c(SC(C)(C)C)c3cc(OCc4cn5ccccc5[nH+]4)ccc32)cn1
AtomNum,"The molecule contains 21 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)C([NH2+]C1CCC1)c1ccccc1
BondNum,"The molecule has 7 single bonds, 1 double bond, 3 rotatable bonds, and 16 aromatic bonds.",CCc1nc2ccc(C(=O)Nc3c(F)cccc3F)cc2[nH]1
FunctionalGroup,The molecule consists of and 1 hydroxyl group.,CC#CP([O-])([O-])(O)C(C)(C)C
AddComponent,Modify the molecule Cc1ccc(CNC(=S)Nc2nc(Sc3ncccn3)cc(N3CCC(C)CC3)n2)cc1 by adding a amine.,Cc1ccc(CNC(=S)Nc2nc(Sc3nccc(N)n3)cc(N3CCC(C)CC3)n2)cc1
SubComponent,Substitute a halo in the molecule CC(C)CC(Cn1nnnc1-c1cc(Br)c(Br)s1)C(=O)[O-] with a thiol.,CC(C)CC(Cn1nnnc1-c1cc(S)c(Br)s1)C(=O)[O-]
DelComponent,Remove a amine from the molecule C[NH+](C)CCNc1ccc([N+](=O)[O-])cc1OC(F)F.,C[NH+](C)CCc1ccc([N+](=O)[O-])cc1OC(F)F
LogP,Modify the molecule Nc1cccc(N2CCN(C(=O)c3csc(Br)c3)CC2)c1 to decrease its LogP value.,N#Cc1cc(C(=O)N2CCN(c3cccc(N)c3)CC2)cs1
MR,Please modify the molecule CCN(Cc1ccc(N)cc1)c1nc(C)cc(OC)n1 to decrease its MR value.,CCN(CN)c1nc(C)cc(OC)n1
QED,Modify the molecule CC(C)(C)c1ccc(CNc2cccc(Cl)n2)s1 to have a higher QED value.,CC(C)(C)c1ccc(CNc2ccccn2)s1
AtomNum,"Please generate a molecule composed of 54 carbon atoms, 10 oxygen atoms, 11 nitrogen atoms, and 2 sulfur atoms.",CC(O)C(NC(=O)C(CCCC[NH3+])NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O
BondNum,"There is a molecule with 10 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)C(=O)CCc1cccc2c1OCC2
FunctionalGroup,The molecule is composed of and 1 aldehyde group.,C=C(CCCCCC)c1c(CC)c(C(=O)[O-])c(C=O)n1C
AddComponent,Modify the molecule COc1cc(C(=O)NCC(c2ccc(F)cc2)[NH+](C)C)ccc1OCc1cscn1 by adding a hydroxyl.,COc1cc(C(=O)NCC(c2ccc(F)cc2O)[NH+](C)C)ccc1OCc1cscn1
SubComponent,Please substitute a CC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(Cl)cc1F in the molecule halo with a aldehyde.,CC(=O)c1ccc(CNC(=O)C(C)Cc2c[nH]c3ccccc23)c(F)c1
DelComponent,Remove a CN(C)C(=O)COC1CN(C(=O)CCC2CCOC2)C1 from the molecule amide.,CCOC1CN(C(=O)CCC2CCOC2)C1
LogP,Optimize the molecule CCc1nc2n(n1)CC(NS(=O)(=O)N1CCc3ccccc3C1)CC2 to have a lower LogP value.,CCc1nc2n(n1)CC(NS(=O)(=O)N1CCc3cccc(N)c3C1)CC2
MR,Please modify the molecule CCCCCCC(C[NH2+]CC(C)C)Cc1ccccc1Br to decrease its MR value.,CCCCCCC(C[NH2+]CC(C)C)Cc1ccccc1C#N
QED,Please optimize the molecule CC(=O)N(C(=O)C(=O)Nc1cccc(O)c1)c1ccc(N)cc1 to have a higher QED value.,CC(=O)N(C(=O)C(=O)Nc1cccc(C#N)c1)c1ccc(N)cc1
AtomNum,"The molecule has 20 carbon atoms, 4 oxygen atoms, and 6 nitrogen atoms.",Cc1cc(=O)nc(CNC(=O)c2cccc(C(=O)NCc3cc(=O)nc(C)[nH]3)c2)[nH]1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",CC(=O)NCCc1nc2ccccc2n1C(C)c1ccccc1
FunctionalGroup,Please generate a molecule with and 1 halo group.,CCN(CC)c1nc(Cl)nc(Oc2cccnc2)n1
AddComponent,Add a hydroxyl to the molecule COc1cc(NC(=O)c2ccc(C)cc2C)c(OC)cc1Cl.,COc1cc(NC(=O)c2ccc(C)cc2C)c(OCO)cc1Cl
SubComponent,Please substitute a nitro in the molecule Cc1ccc(NC(=O)CSC2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 with a thiol.,Cc1ccc(NC(=O)CSC2CC(=O)N(c3ccc([SH]=O)cc3)C2=O)cc1
DelComponent,Please remove a benzene ring from the molecule O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cccnc2)cc1.,O=C(Nc1ccc2c(c1)OCO2)c1cccnc1
LogP,Please optimize the molecule COc1nc(N)nc2c1nc(I)n2C1OC(COP(=O)(NC(C(=O)[O-])C(C)CCc2ccccc2)Oc2cccc3ccccc23)C(O)C1(C)O to have a lower LogP value.,COc1nc(N)nc2c1ncn2C1OC(COP(=O)(NC(C(=O)[O-])C(C)CCc2ccccc2)Oc2cccc3ccccc23)C(O)C1(C)O
MR,Modify the molecule CCC(C)COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl to increase its MR value.,CC(=O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OCC(C)CC
QED,Modify the molecule COc1c(N2CCC3(CC2)CNC(=O)O3)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(CC(F)(F)F)c12 to decrease its QED value.,Cc1cc(OC(F)(F)F)ccc1CNC(=O)c1cn(CC(F)(F)F)c2c(OCC(=O)O)c(N3CCC4(CC3)CNC(=O)O4)c(F)cc2c1=O
AtomNum,"The molecule is composed of 32 carbon atoms, 4 oxygen atoms, and 6 nitrogen atoms.",C[NH+]1CC(=O)N2C(Cc3ccc(O)cc3)C(=O)N(Cc3ccc4cccnc4c3)CC2N1C(=O)NCc1ccccc1
BondNum,"Please generate a molecule with 7 single bonds, 2 rotatable bonds, and 18 aromatic bonds.",CN1c2ccccc2SC1(c1ccccc1)c1ccccc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 1 halo group.",[N-]=[N+]=NC(Cc1ccccc1)Cc1ccc(Cl)cc1
AddComponent,Please add a benzene ring to the molecule CN(Cc1ccc2c(c1)OCO2)C(=O)C=Cc1ccc(-c2ccccc2F)s1.,CN(Cc1cc2c(cc1-c1ccccc1)OCO2)C(=O)C=Cc1ccc(-c2ccccc2F)s1
SubComponent,Modify the molecule COCCCSc1ccc(F)cc1C[NH2+]CCOC by substituting a halo with a nitro.,COCCCSc1ccc(NO)cc1C[NH2+]CCOC
DelComponent,Modify the molecule CC[NH2+]C1C(=O)Nc2cc(OCc3ccccc3)ccc21 by removing a benzene ring.,CC[NH2+]C1C(=O)Nc2cc(OC)ccc21
LogP,Please optimize the molecule CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)c1 to have a lower LogP value.,CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2)c1
MR,Optimize the molecule CCCc1ccc(-c2ccc(-c3ccc(C(F)(F)Oc4ccc(F)c(F)c4)c(F)c3)c(F)c2)cc1 to have a higher MR value.,CCCc1ccc(-c2ccc(-c3ccc(C(F)(Oc4ccc(F)c(F)c4)C(=O)[OH])c(F)c3)c(F)c2)cc1
QED,Modify the molecule COC(=O)C(=Cc1ccccc1)CN1C(=O)C(=O)c2cc(F)ccc21 to have a lower QED value.,COC(=O)C(=Cc1ccccc1)CN1C(=O)C(=O)c2cc(NO)ccc21
AtomNum,"The molecule consists of 13 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1nc(CC([NH2+]C(CC(C)C)C(=O)[O-])C(=O)[O-])cs1
BondNum,"Please generate a molecule consisting 13 single bonds, 2 double bonds, 3 rotatable bonds, and 17 aromatic bonds.",Cn1c(=O)c(C[NH+]=C(N)N2CCN(c3ccc(F)cc3)CC2)cc2ccccc21
FunctionalGroup,"The molecule consists of 1 amine group, and 2 halo groups.",CCCNc1nc(N(CC)CC(C)CC)c(F)cc1F
AddComponent,Please add a amine to the molecule CCCCC(COC)NC(=O)C1CC[NH2+]C1.,CCCCC(COC)NC(=O)C1C[NH2+]C(N)C1
SubComponent,Please substitute a halo in the molecule Nc1ccc(Cl)c(OCc2cccnc2)c1 with a nitro.,Nc1ccc(NO)c(OCc2cccnc2)c1
DelComponent,Please remove a benzene ring from the molecule CC(Cn1ccnc1)Nc1ccc([N+](=O)[O-])cc1C(F)F.,CC(Cn1ccnc1)NC(F)(F)[N+](=O)[O-]
LogP,Please optimize the molecule Cc1cc(Cl)c(C(=O)c2ccc(C#N)cc2)c(Cl)c1 to have a lower LogP value.,Cc1cc(Cl)c(C(=O)c2ccc(C#N)cc2)c(C(=O)[OH])c1
MR,Optimize the molecule COc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1O to have a higher MR value.,O=C([O-])CNC(=O)CNC(=O)c1ccc(OCO)c(O)c1
QED,Please optimize the molecule N#Cc1cccc(NC(=O)c2cc(Nc3ccccc3Br)ccn2)c1 to have a lower QED value.,O=C(Nc1cccc(O)c1)c1cc(Nc2ccccc2Br)ccn1
AtomNum,"There is a molecule with 10 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CC1CSCC1NC(=O)N1CCS(=O)(=O)CC1
BondNum,"The molecule has 11 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",C[NH+](CCc1ccccc1)C(C(=O)[O-])C1CC1
FunctionalGroup,Please generate a molecule with and 1 benzene ring group.,[NH3+]CC1CC[NH+](C2Cc3ccccc3C2Oc2cccc(N3CC[NH2+]CC3)c2)C1
AddComponent,Modify the molecule [NH3+]CCCC(=O)Nc1ccc2c(c1)CCC2=O by adding a hydroxyl.,[NH3+]CCCC(=O)Nc1ccc2c(c1)C(O)CC2=O
SubComponent,Modify the molecule halo by substituting a COn1c(=O)c(-c2ccc([N+](=O)[O-])cc2Cl)cc2cnc(NCC[NH+](C)C)nc21 with a hydroxyl.,COn1c(=O)c(-c2ccc([N+](=O)[O-])cc2O)cc2cnc(NCC[NH+](C)C)nc21
DelComponent,Please remove a CCCCCCOc1c(C=C(C(=O)[O-])c2ccccc2)cccc1OC from the molecule benzene ring.,CCCCCCOC(OC)=C(C(=O)[O-])c1ccccc1
LogP,Modify the molecule C=C(Cl)Cn1ccc(C(=O)[O-])cc1=O to have a lower LogP value.,C=C(O)Cn1ccc(C(=O)[O-])cc1=O
MR,Please optimize the molecule CCC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(Br)cc2)cc1 to have a higher MR value.,CCC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(Br)c(O)c2)cc1
QED,Optimize the molecule Cc1ccccc1NC(=O)Nc1ccc(Cn2cc([O-])n(CC(=O)NC(CC(=O)[O-])C(=O)NC3C4CC5CC(C4)CC3C5)c2=O)cc1 to have a higher QED value.,Cc1ccccc1NC(=O)Nc1ccc(Cn2cc([O-])n(C(CC(=O)[O-])C(=O)NC3C4CC5CC(C4)CC3C5)c2=O)cc1
AtomNum,"The molecule contains 17 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CN(C)C(=O)c1cccc(NC2=NS(=O)N=C2Nc2cccc(Cl)c2Cl)c1
BondNum,"The molecule consists of 12 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",[NH3+]CC1CCn2c(nnc2-c2cccc(OC(F)F)c2)C1
FunctionalGroup,"The molecule contains 1 amide group, and 1 borane group.",CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1
AddComponent,Please add a hydroxyl to the molecule O=[N+]([O-])c1ccccc1N=c1scc(-c2cc3ccccc3o2)n1N=Cc1ccc(-c2ccccc2)cc1.,O=[N+]([O-])c1c(O)cccc1N=c1scc(-c2cc3ccccc3o2)n1N=Cc1ccc(-c2ccccc2)cc1
SubComponent,Please substitute a halo in the molecule CC(Cl)c1nc2cccc(Cl)c2n1CC(C)(C)C(N)=O with a thiol.,CC(S)c1nc2cccc(Cl)c2n1CC(C)(C)C(N)=O
DelComponent,Remove a hydroxyl from the molecule C=CCCCOC1OC(CO)C(O)C(O)C1C.,C=CCCCOC1OC(C)C(O)C(O)C1C
LogP,Please modify the molecule O=C([O-])c1cc([O-])c2c(c1)C(=O)c1cc(O)c(Cl)c([O-])c1C2=O to decrease its LogP value.,ONc1c(O)cc2c(c1[O-])C(=O)c1c([O-])cc(C(=O)[O-])cc1C2=O
MR,Modify the molecule O=c1cc([O-])c(CCl)nn1-c1ccc(F)cc1 to decrease its MR value.,Cc1nn(-c2ccc(F)cc2)c(=O)cc1[O-]
QED,Modify the molecule CC(=O)C1(C)CCC2(C)CCC3(C)C4=CC(SCC[NH3+])c5c(cc(O)c(O)c5C)C4(C)CCC3(C)C2C1 to decrease its QED value.,CC(=O)C1(C)CCC2(C)CCC3(C)C4=CC(SCC[NH3+])c5c(cc(O)c(O)c5CCC=O)C4(C)CCC3(C)C2C1
AtomNum,"The molecule contains 15 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",O=[N+]([O-])c1cc(COc2ccc(CCO)cc2)ccc1Br
BondNum,"The molecule has 14 single bonds, 2 double bonds, 4 rotatable bonds, and 5 aromatic bonds.",CC1CCCC(CO)(NC(=O)c2nc[nH]c2C(=O)[O-])C1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 thioether group, 1 nitrile group, and 1 sulfide group.",Cc1cccc(SC2(C#N)CC3(CCCC3)C2)c1
AddComponent,Please add a amine to the molecule COc1cc(OC)c(C(=O)O[NH+]=C(N)c2ccc(C)cc2)cc1OC.,COc1cc(C(=O)O[NH+]=C(N)c2ccc(C)cc2)c(OC)cc1OCN
SubComponent,Modify the molecule halo by substituting a CCc1nccc(N(CC)C(=O)Cc2ccc(Oc3ccc(Cl)cc3)cc2)n1 with a carboxyl.,CCc1nccc(N(CC)C(=O)Cc2ccc(Oc3ccc(C(=O)[OH])cc3)cc2)n1
DelComponent,Please remove a benzene ring from the molecule CCc1ccc(CC[NH+](C)CC(=O)[O-])cc1.,CCCC[NH+](C)CC(=O)[O-]
LogP,Optimize the molecule CCCCOc1c(C(=O)OC)cc(-c2ccccc2C=O)c2cc(Cc3ccc(F)cc3)cnc12 to have a lower LogP value.,CCCCOc1c(C(=O)OC)cc(-c2ccccc2C=O)c2cc(Cc3ccccc3)cnc12
MR,Please modify the molecule Oc1ccc2c3c(ccc2c1)-c1c(F)cc(F)cc1OC3c1ccc(OCCC2CCCCC[NH2+]2)cc1 to increase its MR value.,Oc1ccc2c3c(ccc2c1)-c1c(S)cc(F)cc1OC3c1ccc(OCCC2CCCCC[NH2+]2)cc1
QED,Optimize the molecule COc1ccc2c(c1)CCC([NH2+]CC1CCC(CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cn(C)cn1 to have a lower QED value.,COc1ccc2c(c1)CCC([NH2+]CC1CCC(CNS(=O)(=O)c3cccc(O)c3F)CC1)C2Cc1cn(C)cn1
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",[NH3+]CC1CCCN1C(=O)Cc1csc(-c2ccc(Cl)s2)n1
BondNum,"There is a molecule consisting of 16 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CC(CC(=O)[O-])Cc1nc(C2CN3CC[NH+]2CC3)no1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, and 3 halo groups.",OC1CCCCC1C[NH2+]Cc1cc(Br)ccc1OC(F)F
AddComponent,Add a hydroxyl to the molecule C#CCC1CN(C(=O)OC(C)(C)C)C(CCOC(=O)NCC(F)(F)F)CO1.,C#CCC1CN(C(=O)OC(C)(C)C)C(CC(O)OC(=O)NCC(F)(F)F)CO1
SubComponent,Modify the molecule CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(SC(C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
DelComponent,Please remove a amide from the molecule CCCC(CCC)C(=O)N1CCN(c2c(C)n[nH]c2C)CC1.,CCC1CCN(c2c(C)n[nH]c2C)CCC1CC
LogP,Please modify the molecule CCCN(C1CC1)C(C[NH3+])c1c(C)cccc1C to decrease its LogP value.,CCCN(C(CC)C[NH3+])C1CC1
MR,Optimize the molecule Cn1c(C=C2CCN(C(=O)OC(C)(C)C)CC2)nc2c(N3CCOCC3)nc(Cl)nc21 to have a higher MR value.,Cn1c(C=C2CCN(C(=O)OC(C)(C)C)CC2)nc2c(N3CCOCC3)nc(NO)nc21
QED,Optimize the molecule O=C([O-])c1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1 to have a lower QED value.,O=C([O-])c1ccc(C=NNc2ccc(C(F)(F)C(=O)[OH])cc2)cc1
AtomNum,"The molecule has 11 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC(=O)Nc1ccc(OC([NH3+])C(C)O)cc1
BondNum,"The molecule contains 20 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC(=O)N1CCN(C(=O)C=Cc2ccc(Sc3ccc4c(c3)CCOO4)c(Cl)c2Cl)CC1
FunctionalGroup,There is a molecule with and 2 hydroxyl groups.,O=C([O-])N1CC[NH+](Cc2c(O)ccc3c(O)c(C=C4N=Nc5ncccc54)oc23)CC1
AddComponent,Add a aldehyde to the molecule COc1cc(-c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)c(OC)c2)ccc1NC(=O)c1cccc(Oc2ccccc2)c1.,COc1cc(-c2cc(CC=O)c(NC(=O)c3cccc(Oc4ccccc4)c3)c(OC)c2)ccc1NC(=O)c1cccc(Oc2ccccc2)c1
SubComponent,Please substitute a nitrile in the molecule COc1cc(C)c(S(=O)(=O)NC(N)=NCCCC(NC(=O)C(CC#N)NC(=O)C(Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)C(=O)c2nccs2)c(C)c1C with a hydroxyl.,COc1cc(C)c(S(=O)(=O)NC(N)=NCCCC(NC(=O)C(CO)NC(=O)C(Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)C(=O)c2nccs2)c(C)c1C
DelComponent,Please remove a COc1cc(SCC(=O)[O-])c(F)cc1[N+](=O)[O-] from the molecule halo.,COc1cc(SCC(=O)[O-])ccc1[N+](=O)[O-]
LogP,Please modify the molecule COc1cnc(-c2ccccc2)nc1Oc1cccc(Cl)c1 to decrease its LogP value.,COc1cncnc1Oc1cccc(Cl)c1
MR,Modify the molecule CCN(CC)C(N)=[NH+]CCc1ccc(OC)c(OC(F)F)c1 to have a higher MR value.,CCN(CC)C(N)=[NH+]CCc1ccc(OC)c(OC(F)F)c1O
QED,Modify the molecule CCOc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3C)C2c2ccc(OC(C)C)c(OCC)c2)cc1 to have a lower QED value.,CCOc1ccc(C2=C(O)C(=O)N(c3cccc(NO)c3C)C2c2ccc(OC(C)C)c(OCC)c2)cc1
AtomNum,"The molecule consists of 14 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CNC(=O)C[NH+]1CCc2c(N)cc(OC)c(OC)c2C1
BondNum,"Please generate a molecule composed of 11 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1ccc2c(c1)CCC2[NH2+]C(C)C(C)C
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 1 amide group.",CCC(=O)Nc1ccccc1N=C(C)c1c([O-])n(-c2ccc(C)cc2)c(=O)[nH]c1=O
AddComponent,Add a hydroxyl to the molecule Cc1nc(-c2cccc(OCC(=O)N(C)CCC(=O)[O-])c2)cs1.,Cc1nc(-c2cccc(OCC(=O)N(CO)CCC(=O)[O-])c2)cs1
SubComponent,Substitute a O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cncn1-c1ccc(F)cc1 in the molecule halo with a thiol.,O=C(NNc1c(S)cc(Cl)cc1Cl)c1cncn1-c1ccc(F)cc1
DelComponent,Modify the molecule halo by removing a Cc1cc(Cl)cc2sc(N(Cc3ccco3)C(=O)CCSc3ccc(F)cc3)nc12.,Cc1cccc2sc(N(Cc3ccco3)C(=O)CCSc3ccc(F)cc3)nc12
LogP,Modify the molecule Cc1c(Cc2ccccc2Br)c(O)c2ccccc2c1O to have a lower LogP value.,Cc1c(Cc2ccccc2C(=O)[OH])c(O)c2ccccc2c1O
MR,Modify the molecule O=C(Nc1nn(Cc2c(F)cccc2Cl)cc1Cl)c1ccn(COc2ccccc2[N+](=O)[O-])n1 to have a lower MR value.,O=C(Nc1nn(C(F)Cl)cc1Cl)c1ccn(COc2ccccc2[N+](=O)[O-])n1
QED,Modify the molecule C=C(Cc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)[NH2+]C1(C(=O)NCc2cccc(C(F)(F)F)c2)CCCCC1 to have a lower QED value.,C=C(Cc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)[NH2+]C1(C(=O)NCc2cccc(C(F)(F)S)c2)CCCCC1
AtomNum,"The molecule contains 28 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(-c2nc3c(c(SCc4cc(C)ccc4C)n2)Cc2c(CO)cnc(C)c2O3)cc1
BondNum,"There is a molecule consisting of 28 single bonds, 5 double bonds, 13 rotatable bonds, and 18 aromatic bonds.",CCC(C)C(=O)Nc1cccc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)Nc4cccc(F)c4)cc3C)CC2)c1
FunctionalGroup,"There is a molecule composed of 1 amine group, 1 halo group, 1 nitrile group, and 1 sulfide group.",N#CC(NCc1cccs1)c1ccc(Br)c2cccnc12
AddComponent,Add a benzene ring to the molecule CCC[NH2+]CC1(O)CCSC1.,CCC[NH2+]CC1(O)CSCC1c1ccccc1
SubComponent,Modify the molecule O=C(NCCCn1ccc2cccnc21)c1ccc(OC(F)(F)F)cc1 by substituting a halo with a aldehyde.,CC(=O)C(F)(F)Oc1ccc(C(=O)NCCCn2ccc3cccnc32)cc1
DelComponent,Modify the molecule benzene ring by removing a Clc1ccc(-c2ccc(C#Cc3ccc(OCC[NH2+]C(C4CCCC4)C4CC4)cc3)nc2)cc1.,Clc1ccc(-c2ccc(C#COCC[NH2+]C(C3CCCC3)C3CC3)nc2)cc1
LogP,Modify the molecule O=C([O-])C1(Cc2ccc(F)cc2F)CCCCCCC1 to have a lower LogP value.,O=C([O-])C1(C(F)F)CCCCCCC1
MR,Please modify the molecule Cc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)cc12 to increase its MR value.,Cc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(O)cc3)C4=O)cc12
QED,Please modify the molecule CCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)o1)C1CCS(=O)(=O)C1 to increase its QED value.,CCCC(Sc1nnc(-c2ccc(OC)cc2)o1)C1CCS(=O)(=O)C1
AtomNum,"The molecule consists of 11 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",O=C(Nc1nc2ccc(Cl)cc2s1)c1ccon1
BondNum,"Please generate a molecule composed of 11 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",COC1CCCN(C(=O)c2ccc(N)cn2)C1
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 5 amide groups, and 1 halo group.",Cc1cc(C(=O)N2CCCCC2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(C(=O)Nc3ccccc3)c(Cl)c2)CC1
AddComponent,Please add a carboxyl to the molecule CC(C)(C)S(=O)(=O)NC1CCC(CNc2cccc(OC(F)(F)F)c2)CC1.,CC(C)(CC(=O)O)S(=O)(=O)NC1CCC(CNc2cccc(OC(F)(F)F)c2)CC1
SubComponent,Modify the molecule Clc1ncn(Cc2ccon2)c1Cl by substituting a halo with a aldehyde.,CC(=O)c1ncn(Cc2ccon2)c1Cl
DelComponent,Remove a amide from the molecule CCCCc1nc2cccnc2n1Cc1ccc2c(c1)C(=O)C(=O)N2.,CCCCc1nc2cccnc2n1Cc1cccc(O)c1
LogP,Optimize the molecule COc1ccc(-c2cccc(-c3ccc(OC)cc3CC(=O)[O-])c2)cc1 to have a lower LogP value.,COc1cccc(-c2ccc(OC)cc2CC(=O)[O-])c1
MR,Please optimize the molecule Cc1ccc2c(c1)CCCN2C(=O)CN=C1NS(=O)(=O)c2ccccc21 to have a higher MR value.,Cc1cc2c(c(C(=O)O)c1)N(C(=O)CN=C1NS(=O)(=O)c3ccccc31)CCC2
QED,Optimize the molecule C[NH+]=C(NCC(c1cccs1)[NH+](C)C)NC(C)CCc1ccccc1 to have a higher QED value.,C[NH+]=C(CC(c1cccs1)[NH+](C)C)NC(C)CCc1ccccc1
AtomNum,"There is a molecule with 15 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=C([O-])c1ccc2nc(C3CC3)n(Cc3cscn3)c2c1
BondNum,"There is a molecule consisting of 38 single bonds, 2 double bonds, and 26 rotatable bonds.",CNC(C)[NH2+]CCCCC(O)[NH2+]C(CCC(O)O)C(=O)NC(CCCC[NH3+])C(=O)NC(CCC[NH2+]C(N)N)C(C)O
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 hydroxyl group.",COC=C(C(O)c1ccc(C)cc1)n1nnc2ccccc21
AddComponent,Modify the molecule Cc1cc(NC(=O)OCC[Si](C)(C)C)cc(N)c1Br by adding a hydroxyl.,Cc1cc(NC(=O)OCC[Si](C)(C)CO)cc(N)c1Br
SubComponent,Substitute a hydroxyl in the molecule O=C(COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(O)cc1O with a aldehyde.,CC(=O)c1ccc(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(O)c1
DelComponent,Modify the molecule C[NH2+]C(CN1CCOC2CCCC21)c1ccccc1OC by removing a benzene ring.,C[NH2+]C(CN1CCOC2CCCC21)OC
LogP,Please modify the molecule CC(CCc1ccccc1F)C(=O)NC1CC[NH2+]CC1 to decrease its LogP value.,CC(CCc1ccccc1O)C(=O)NC1CC[NH2+]CC1
MR,Please optimize the molecule CCCCCCCOC(=O)c1ccccc1C(=O)OC(CC)CCC(CC)CC to have a lower MR value.,CCCCCCCOC(=O)C(=O)OC(CC)CCC(CC)CC
QED,Modify the molecule CCCCCC#CC=NNc1cc(F)ccc1F to decrease its QED value.,CC(=O)c1ccc(F)c(NN=CC#CCCCCC)c1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 3 nitrogen atoms, and 1 chlorine atom.",Clc1ccc2c[nH+]c(CC[NH+]3CCCC3)n2c1
BondNum,"There is a molecule with 11 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",CCNC(NCc1ccc(F)cc1)=[NH+]Cc1ccc(OC)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 hydroxyl group.",CCCc1cccc(C2(O)CC([NH3+])C2)c1
AddComponent,Please add a carboxyl to the molecule NC(=[NH+]O)c1ccc(CNC(=O)c2ccc(I)cc2)cc1.,NC(=[NH+]O)c1ccc(CNC(=O)c2ccc(I)cc2)cc1C(=O)O
SubComponent,Substitute a CC(C[Si](Cl)(Cl)Cl)c1ccccc1 in the molecule halo with a carboxyl.,CC(C[Si](Cl)(Cl)C(=O)[OH])c1ccccc1
DelComponent,Please remove a CC(=O)Nc1nc(CN2C(=O)NC(C)(c3cccc(C(F)(F)F)c3)C2=O)cs1 from the molecule halo.,CC(=O)Nc1nc(CN2C(=O)NC(C)(c3cccc(C(F)F)c3)C2=O)cs1
LogP,Please optimize the molecule COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c([N+](=O)[O-])c1 to have a lower LogP value.,COc1ccc(-c23ccccc2nc(-c2ccc(C)cc2C)c-3)c([N+](=O)[O-])c1
MR,Please modify the molecule COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1C to decrease its MR value.,COc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1C
QED,Optimize the molecule CC(C)(C(=O)C1CCCC1)[NH+]1CCOCC1 to have a higher QED value.,CC(C)(C(=O)C1(c2ccccc2)CCCC1)[NH+]1CCOCC1
AtomNum,"The molecule is composed of 12 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",Cc1nc(N(Cc2ccsc2)C2CC2)c(N)[nH]1
BondNum,"The molecule contains 21 single bonds, 2 double bonds, 6 rotatable bonds, and 5 aromatic bonds.",CC(C)N(C)C(=O)C1CSCN1C(=O)CCc1nc(C2CCCC2)no1
FunctionalGroup,"Please generate a molecule composed of 1 ester group, and 1 amide group.",COCCn1cccc1C(=O)N(CC(=O)OC)C(C)C
AddComponent,Modify the molecule O=C1CCC(c2ccccc2OCCCl)=NN1 by adding a carboxyl.,O=C1CC(C(=O)O)C(c2ccccc2OCCCl)=NN1
SubComponent,Substitute a C[NH+]1CCOC2CN(c3nnc(-c4ccc(Cl)c(Cl)c4)c4ccccc34)CC21 in the molecule halo with a aldehyde.,CC(=O)c1ccc(-c2nnc(N3CC4OCC[NH+](C)C4C3)c3ccccc23)cc1Cl
DelComponent,Modify the molecule amide by removing a O=C([O-])c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccoc3)CC2)cc1.,O=C([O-])c1ccc(S(=O)(=O)N2CCC(Cc3ccoc3)C2)cc1
LogP,Optimize the molecule CCCN(C1CC[NH2+]C1)S(=O)(=O)CCOCC to have a lower LogP value.,CCCN(C1CC[NH2+]C1)S(=O)(=O)CC(CC=O)OCC
MR,Modify the molecule Cc1cc(CNC(=O)N(C)CC(C)O)ccc1Cl to have a lower MR value.,Cc1cc(CNC(=O)N(C)CC(C)O)ccc1C#N
QED,Modify the molecule CCn1nccc1C[NH2+]C(C)c1cccc(Cl)c1 to decrease its QED value.,CC(=O)c1cccc(C(C)[NH2+]Cc2ccnn2CC)c1
AtomNum,"Please generate a molecule with 29 carbon atoms, 7 oxygen atoms, and 1 nitrogen atom.",CCOc1ccc(C2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccc(CC(=O)OC)cc2)cc1
BondNum,"Please generate a molecule consisting 13 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC1(C)CC1CNC(=O)c1cc(S(N)(=O)=O)cc(F)c1F
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ester group, and 1 amine group.",CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OCC)cc1
AddComponent,Add a hydroxyl to the molecule CCCCNC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1CC(C)C.,CCC(O)CNC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1CC(C)C
SubComponent,Please substitute a CCOc1ccc(C2C(C(=O)OC)=CN=c3sc(=Cc4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1OCC in the molecule halo with a thiol.,CCOc1ccc(C2C(C(=O)OC)=CN=c3sc(=Cc4ccc(-c5ccc([N+](=O)[O-])cc5S)o4)c(=O)n32)cc1OCC
DelComponent,Modify the molecule benzene ring by removing a O=C1c2ccccc2C(=O)N1OCCCn1c(=Nc2ccccc2)sc2c(-c3ccc(O)cc3)[nH]c(=O)nc21.,N=c1sc2c(-c3ccc(O)cc3)[nH]c(=O)nc2n1CCCON1C(=O)c2ccccc2C1=O
LogP,Please modify the molecule CC[NH+](CC)CCCCCOc1ccccc1F to decrease its LogP value.,CC[NH+](CCO)CCCCCOc1ccccc1F
MR,Modify the molecule Cc1cc(Sc2ccc(Cl)c(Cl)c2)nc(N)n1 to increase its MR value.,Cc1cc(Sc2cc(Cl)c(Cl)cc2-c2ccccc2)nc(N)n1
QED,Please optimize the molecule CCC(F)Cn1ncsc1=O to have a lower QED value.,CCCCn1ncsc1=O
AtomNum,"The molecule is composed of 20 carbon atoms, and 1 nitrogen atom.",Cc1ccccc1N(c1ccccc1)C1C=CC=CC1C
BondNum,"There is a molecule composed of 44 single bonds, 3 double bonds, 1 triple bond, 12 rotatable bonds, and 22 aromatic bonds.",COC(=O)NC(CON1CCCC1c1[nH]c(-c2ccc(C#Cc3ccc(-c4c[nH+]c(C5CCCN5C(=O)C(NC(=O)OC)C5CCOCC5)[nH]4)cc3)cc2F)c[nH+]1)C1CCOCC1
FunctionalGroup,Please generate a molecule consisting and 2 ketone groups.,CC=CC1(C(C)=O)CC=C(C(C)=O)CC1
AddComponent,Please add a benzene ring to the molecule COc1ccc(CCNc2ncnc3nc(-c4ccc(N5CCOCC5)nc4)[nH]c23)cc1.,COc1ccc(CCNc2ncnc3nc(-c4ccc(N5CCOCC5)nc4)[nH]c23)cc1-c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule CN(C)c1ccc2c(c1)[Si](C)(C)c1cc(N(C)C)ccc1C2=C1C=NC(CCCC(=O)O)=[N+]1C with a aldehyde.,CC(=O)C(=O)CCCC1=[N+](C)C(=C2c3ccc(N(C)C)cc3[Si](C)(C)c3cc(N(C)C)ccc32)C=N1
DelComponent,Modify the molecule NNC(Cc1ccc(Cl)cc1)c1cn[nH]c1N by removing a amine.,Nc1[nH]ncc1C(N)Cc1ccc(Cl)cc1
LogP,Modify the molecule CC(C)(C)c1nc(C(N)=O)c(C(C)(C)C)[nH]1 to increase its LogP value.,CC(C)(C)c1nc(C(N)=O)c(C(C)(C)Cc2ccccc2)[nH]1
MR,Modify the molecule CCCOc1cccc(C2C(c3ccc(OCC)c(OCC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 to increase its MR value.,CCCOc1cccc(C2C(c3ccc(OCC)c(OCC)c3)=C(O)C(=O)N2c2ccc(Br)cc2)c1
QED,Please optimize the molecule O=C([O-])c1cccc(-c2ccc(C=C3SC(=[NH+]c4ccccc4)N(C4CCCCC4)C3=O)o2)c1 to have a lower QED value.,O=C([O-])c1cccc(-c2ccc(C=C3SC(c4ccccc4)N(C4CCCCC4)C3=O)o2)c1
AtomNum,"The molecule has 23 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)OCC(=O)N1CCc2sccc2C1
BondNum,"There is a molecule with 14 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)c1ccccc1NC(=O)N1CCN(c2ncccn2)CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ketone group, 2 halo groups, 1 thioether group, and 1 sulfide group.",CCCc1cc(=O)nc(SCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)[nH]1
AddComponent,Add a benzene ring to the molecule COCCN(CCC#N)c1cccc(Cl)c1C(=O)[O-].,N#CCCN(CCOCc1ccccc1)c1cccc(Cl)c1C(=O)[O-]
SubComponent,Please substitute a CN(C)C(=O)NCC1(CO)CCCCC1 in the molecule hydroxyl with a aldehyde.,CC(=O)CC1(CNC(=O)N(C)C)CCCCC1
DelComponent,Remove a amide from the molecule Cc1ccc(-c2nnn(CC(=O)NC3CC(C)(C)Oc4ccccc43)n2)cc1.,Cc1ccc(-c2nnn(C3CC(C)(C)Oc4ccccc43)n2)cc1
LogP,Please optimize the molecule COc1ccc(NC(=O)c2cccc(Cl)n2)cc1O to have a higher LogP value.,COc1ccc(NC(=O)c2ccc(-c3ccccc3)c(Cl)n2)cc1O
MR,Modify the molecule O=C(C1CCC2C(CC[NH+]2Cc2cccs2)O1)N1CCOCC1 to have a lower MR value.,c1csc(C[NH+]2CCC3OC4COCCC4CC32)c1
QED,Please optimize the molecule CCCCC(CCc1ccccc1)(NC(=O)N1CCC(OCOC)CC1)C(=O)NN(CCNC(=O)NC#N)C(=O)C(CC(O)CCC1CCCCC1)C(C)C to have a higher QED value.,CCCCC(CCc1ccccc1)(NC(=O)N1CCC(OCOC)CC1)C(=O)NN(CCNC(=O)NO)C(=O)C(CC(O)CCC1CCCCC1)C(C)C
AtomNum,"The molecule is composed of 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 bromine atom, and 1 iodine atom.",CC(C)c1c(N)noc1-c1cc(I)ccc1Br
BondNum,"The molecule is composed of 15 single bonds, 1 double bond, and 10 rotatable bonds.",C[NH2+]C(C)(CCCCOCCC(C)C)C(=O)[O-]
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ester group, 1 halo group, 1 thioether group, 1 nitrile group, and 2 sulfide groups.",CCOC(=O)C1C(C)=NC(SCc2ccc(Br)cc2)=C(C#N)C1c1cccs1
AddComponent,Modify the molecule C[NH2+]CCCNC(=O)CC1CCC(C)C1 by adding a benzene ring.,C[NH2+]CCCNC(=O)CC1CCC(C)C1c1ccccc1
SubComponent,Substitute a COc1ccc(C[NH+](C)CCCO)c(OC)c1C in the molecule hydroxyl with a halo.,COc1ccc(C[NH+](C)CCCI)c(OC)c1C
DelComponent,Please remove a CC(=O)NCC(=O)Nc1cc(C(C)(C)C)[nH]n1 from the molecule amide.,CC(=O)Nc1cc(C(C)(C)C)[nH]n1
LogP,Modify the molecule CCn1c(SCC(=O)Nc2ncc3c(n2)CCCC3=O)nnc1-c1ccc(Cl)cc1 to have a lower LogP value.,CCn1c(SCC(=O)Nc2ncc3c(n2)CCCC3=O)nnc1-c1ccc(S)cc1
MR,Modify the molecule C#CCOCC(O)C[NH+](CCC)Cc1cccc(OC)c1 to have a higher MR value.,C#CCOCC(S)C[NH+](CCC)Cc1cccc(OC)c1
QED,Optimize the molecule COc1ccc(-c2ccc3ncnc(OC4CCN(C(=O)OC(C)(C)C)C4)c3c2)cc1OC to have a higher QED value.,COc1ccc(-c2ccc3ncnc(OC4CC(O)N(C(=O)OC(C)(C)C)C4)c3c2)cc1OC
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COCC(CO)NC(=O)C(C)C1C[NH2+]C1
BondNum,"There is a molecule composed of 19 single bonds, 5 double bonds, 8 rotatable bonds, and 21 aromatic bonds.",CS(=O)(=O)c1ccc(CC(NC(=O)c2c(Cl)cc3c(c2Cl)CCC(C(=O)c2cc4cc(F)ccc4[nH]2)C3)C(=O)[O-])o1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 2 halo groups.",COCCCNC(=O)c1cncc(-c2cc(F)ccc2F)c1
AddComponent,Modify the molecule COc1ccccc1CC(=O)N1CCC2(CC[NH2+]C2)CC1 by adding a hydroxyl.,COc1ccccc1CC(=O)N1CCC2(CC1)C[NH2+]C(O)C2
SubComponent,Substitute a C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccc(Br)cc1 in the molecule halo with a hydroxyl.,C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccc(O)cc1
DelComponent,Remove a amide from the molecule COCCNC(=O)CN(C)c1ccc(C=O)o1.,COCCN(C)c1ccc(C=O)o1
LogP,Modify the molecule CCC(C)NC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1 to have a lower LogP value.,CCC(C)NC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)CSC
MR,Optimize the molecule COC(=O)c1cc(S(C)(=O)=O)c(N2CCN(C3CC3)S2(=O)=O)cc1C to have a higher MR value.,COC(=O)c1cc(S(C)(=O)=O)c(N2CCN(C3CC3c3ccccc3)S2(=O)=O)cc1C
QED,Modify the molecule CC[NH2+]CC1(C[NH+]2CCN(CCO)CC2)CCCC(C)C1 to increase its QED value.,CC[NH2+]CC1(C[NH+]2CCN(CCC#N)CC2)CCCC(C)C1
AtomNum,"There is a molecule composed of 33 carbon atoms, and 2 oxygen atoms.",CCCCCCCCCCCCCCCCCCCCC(C(=O)OC)c1cccc(C(C)(C)C)c1
BondNum,"There is a molecule with 17 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC1CCN(C(=O)C[NH+]2CCc3ccccc3C2CO)CC1
FunctionalGroup,"There is a molecule consisting of 1 ketone group, 1 amide group, and 1 amine group.",Cc1c(C(=O)NCCNc2ncccn2)oc2c1C(=O)CC(C)(C)C2
AddComponent,Add a hydroxyl to the molecule COc1cc(SC)ccc1C(=O)N1CCOC(COc2ccc(-n3cncn3)cc2)C1.,COc1cc(SC)ccc1C(=O)N1CCOC(C(O)Oc2ccc(-n3cncn3)cc2)C1
SubComponent,Modify the molecule CCOc1ccc(Nc2nc(C)c(C(=O)C=Cc3ccc(Cl)cc3Cl)s2)cc1 by substituting a halo with a nitro.,CCOc1ccc(Nc2nc(C)c(C(=O)C=Cc3ccc(NO)cc3Cl)s2)cc1
DelComponent,Modify the molecule CC(N=C(O)C(CC(=N)O)N=C(O)CN=C(O)OCC1c2ccccc2-c2ccccc21)C(O)=NC(CCCNC(N)=[NH2+])C(O)=NCC(O)=NC(CCCNC(N)=[NH2+])C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(CCC(=N)O)C(O)=NCC(O)=NCC(O)=NCCCOCCOCCOCCCNC(=O)C=O by removing a amide.,CC(N=C(O)C(CC(=N)O)N=C(O)CN=C(O)OCC1c2ccccc2-c2ccccc21)C(O)=NC(CCCNC(N)=[NH2+])C(O)=NCC(O)=NC(CCCNC(N)=[NH2+])C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(CCC(=N)O)C(O)=NCC(O)=NCC(O)=NCCCOCCOCCOCCCO
LogP,Modify the molecule Cc1ccc2c3c4c(cccc4c4nc(-c5ccccc5)c[n+](C)c4c13)C2 to have a lower LogP value.,Cc1ccc2c3c4c(cccc4c4nc(-c5ccccc5)c[n+](CC(=O)O)c4c13)C2
MR,Please modify the molecule CCC[NH2+]C1c2cc(OC)ccc2CC1N(C)CC(F)F to increase its MR value.,CCC[NH2+]C1c2cc(OC)cc(-c3ccccc3)c2CC1N(C)CC(F)F
QED,Please optimize the molecule C=C1NC(=O)NC(c2ccccc2Cl)C1C(=O)OCCCC to have a lower QED value.,C=C1NC(=O)NC(c2ccccc2C#N)C1C(=O)OCCCC
AtomNum,"Please generate a molecule with 17 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",O=C(c1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1
BondNum,"Please generate a molecule composed of 11 single bonds, 1 double bond, 1 rotatable bond, and 15 aromatic bonds.",Cc1ccc2cc3c(N)c(C(=O)N4CCOCC4)sc3nc2c1C
FunctionalGroup,Please generate a molecule composed of and 1 halo group.,Clc1ccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)cn1
AddComponent,Please add a hydroxyl to the molecule Cc1c(Cl)cccc1NC(=O)c1ccnc(Nc2ccc(Cl)cc2)n1.,Cc1c(Cl)cccc1NC(=O)c1ccnc(Nc2ccc(Cl)c(O)c2)n1
SubComponent,Modify the molecule nitrile by substituting a CC(C)(C#N)N1CC[NH+](Cc2ccc(Br)o2)CC1 with a hydroxyl.,CC(C)(O)N1CC[NH+](Cc2ccc(Br)o2)CC1
DelComponent,Modify the molecule halo by removing a CCS(=O)(=O)CCCC([NH2+]C)c1ccc(Cl)cc1OC.,CCS(=O)(=O)CCCC([NH2+]C)c1ccccc1OC
LogP,Modify the molecule C[Si](C)(C)C#Cc1nnc2ccccc2c1Br to decrease its LogP value.,C[Si](C)(C)C#Cc1nnc2ccccc2c1C#N
MR,Modify the molecule CC(C[NH3+])(Nc1nc2c(cc1C#N)CCCC2)C1CC1 to have a higher MR value.,CC(C[NH3+])(Nc1nc2c(cc1Cl)CCCC2)C1CC1
QED,Please optimize the molecule CC(CO)C(C)NC(=O)Cn1ccnn1 to have a lower QED value.,CC(CO)C(C)NC(=O)Cn1cc(CC=O)nn1
AtomNum,"Please generate a molecule with 10 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 17 fluorine atoms, and 1 chlorine atom.",O=S(=O)(Cl)c1n[nH]c(C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)n1
BondNum,"The molecule is composed of 11 single bonds, 3 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",NC(=O)c1ccccc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 2 halo groups.",CC[NH+]1CCN(C(=O)c2cc(F)cnc2Cl)CC1C
AddComponent,Add a hydroxyl to the molecule CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1.,CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2-n2cnc(O)n2)cc1
SubComponent,Please substitute a CC1=CC(=O)CC(C)(Cl)C1=O in the molecule halo with a thiol.,CC1=CC(=O)CC(C)(S)C1=O
DelComponent,Remove a CC(CCO)[NH2+]CC(=O)NCc1cccc(Cl)c1F from the molecule amide.,CC(CCO)[NH2+]Cc1cccc(Cl)c1F
LogP,Modify the molecule CC(NC(=O)Nc1ccccc1SOON)(C(F)(F)F)C(F)(F)F to increase its LogP value.,CC(NC(=O)Nc1ccccc1SOO)(C(F)(F)F)C(F)(F)F
MR,Modify the molecule CC(C)(C)OC(=O)C([NH3+])(Cc1ccc(-c2cccc(C=O)c2)cc1)C(=O)[O-] to decrease its MR value.,CC(C)(C)OC(=O)C([NH3+])(Cc1ccc(C=O)cc1)C(=O)[O-]
QED,Please optimize the molecule COc1ccc(OC)c(C2C(C(=O)c3cccs3)=C(O)C(=O)N2C)c1 to have a lower QED value.,COc1ccc(OC)c(C2C(C(=O)c3cccs3)=CC(=O)N2C)c1
AtomNum,"The molecule contains 20 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCc1c(C)[nH]c2c1C(=O)C1C[NH+](CCN3CCCC3)CCC1C2
BondNum,"The molecule consists of 7 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",Cc1cc(C)c(NC(=O)c2n[nH]nc2C)c(Cl)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 1 thioether group, and 1 thiol group.",CC(C)(S)C([NH2+]C=C(NC(=O)C([NH3+])c1ccccc1)C(=O)[O-])C(=O)[O-]
AddComponent,Modify the molecule CC1(C)CC[NH+](CCC([NH3+])c2ccccc2Br)C1 by adding a nitrile.,CC1(C)CC[NH+](CCC([NH3+])c2ccc(C#N)cc2Br)C1
SubComponent,Substitute a O=C([O-])C1OC(OC2CC(O)(C(=O)[O-])OC(C(CO)OC3OC(C(=O)[O-])C(O)C(O)C3O)C2O)C(O)C(O)C1O in the molecule hydroxyl with a nitro.,ONC1(C(=O)[O-])CC(OC2OC(C(=O)[O-])C(O)C(O)C2O)C(O)C(C(CO)OC2OC(C(=O)[O-])C(O)C(O)C2O)O1
DelComponent,Remove a hydroxyl from the molecule CC([NH3+])CSc1ccccc1O.,CC([NH3+])CSc1ccccc1
LogP,Modify the molecule Cc1nn(C)c(=O)c(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c1C to decrease its LogP value.,Cc1nn(C)c(=O)c(C(=O)OCC(=O)Nc2ccc(F)cc2)c1C
MR,Modify the molecule N#Cc1ccc(Cn2cncc2COc2ccc(Cl)cc2-c2cccc(Cl)c2)cc1 to decrease its MR value.,Oc1ccc(Cn2cncc2COc2ccc(Cl)cc2-c2cccc(Cl)c2)cc1
QED,Modify the molecule CC(C)CC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(CC(N)=O)C(=O)NC(CS)C(=O)[O-] to have a higher QED value.,CC(C)CC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)[OH])C(=O)[O-]
AtomNum,"The molecule contains 13 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",CC1(C)OC2C(CO)OC(n3cccnc3=O)C2(C)O1
BondNum,"There is a molecule consisting of 13 single bonds, 3 double bonds, 1 triple bond, 7 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C=C(C#N)C(=O)Nc2ccccc2C(=O)[O-])cc1OC(F)F
FunctionalGroup,The molecule contains and 2 benzene ring groups.,COCc1ccccc1CNC(=O)Nc1cccc(C)c1C
AddComponent,Please add a hydroxyl to the molecule CCc1ccc(N)cc1S(=O)(=O)NCCCC1CC1.,CC(O)c1ccc(N)cc1S(=O)(=O)NCCCC1CC1
SubComponent,Modify the molecule C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)OC(=O)CCCC(C)(C)O)CC(O)CC1O by substituting a hydroxyl with a nitrile.,C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)OC(=O)CCCC(C)(C)C#N)CC(O)CC1O
DelComponent,Remove a benzene ring from the molecule CCc1nnc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)N4CCC(C)CC4)ccc3C)CC2)C(C)C)s1.,CCc1nnc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)N(C)C(=O)N3CCC(C)CC3)CC2)C(C)C)s1
LogP,Please optimize the molecule Cc1cc(C[NH+]2CC(F)CC2CNC(=O)Nc2ccnc(C)n2)on1 to have a higher LogP value.,Cc1cc(C[NH+]2CCCC2CNC(=O)Nc2ccnc(C)n2)on1
MR,Modify the molecule O=C(CCc1[nH+]ccn1OC(=O)C(Cc1ccccc1)Cc1ccccc1)OCc1ccccc1 to have a lower MR value.,CC(Cc1ccccc1)C(=O)On1cc[nH+]c1CCC(=O)OCc1ccccc1
QED,Please optimize the molecule COCc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3Cl)sc2n1 to have a lower QED value.,COCc1cc(C)c2c(N)c(C(=O)c3ccc(S)cc3Cl)sc2n1
AtomNum,"The molecule has 23 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COC(=O)c1ccc2c3ccccc3n(CC(OC)c3ccccc3)c2c1
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, 9 rotatable bonds, and 5 aromatic bonds.",CCCCCCCC(=O)Cc1ncnn1C(C)C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amide groups.",CCCOc1ccc(C(CC(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1
AddComponent,Please add a benzene ring to the molecule Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)CC1.,Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cc(C(=O)NC3CCCCC3)c(-c3ccccc3)cc2Cl)CC1
SubComponent,Substitute a nitrile in the molecule N#CCc1ccc(S(=O)(=O)NCC[NH+]2CCOCC2)cc1 with a hydroxyl.,O=S(=O)(NCC[NH+]1CCOCC1)c1ccc(CO)cc1
DelComponent,Please remove a benzene ring from the molecule CC1=C(C)CC(C(=O)c2ccc(C)cc2)SC1.,CC(=O)C1CC(C)=C(C)CS1
LogP,Optimize the molecule CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(Sc3ccc(C)cc3)C2O)(C(=O)[O-])OC1C(O)C(O)CO to have a higher LogP value.,Cc1ccc(SC2OC(CO)C(O)C(OC3(C(=O)[O-])CC(O)CC(C(O)C(O)CO)O3)C2O)cc1
MR,Please optimize the molecule CC1CN(c2ccc(Nc3ncc4sc(C(=O)N(C)C)c(C5CCCC5)c4n3)nc2)CC(C)[NH2+]1 to have a lower MR value.,CC1CN(c2ccc(-c3ncc4sc(C(=O)N(C)C)c(C5CCCC5)c4n3)nc2)CC(C)[NH2+]1
QED,Optimize the molecule CCC(C(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(C)C)c1ccccc1 to have a higher QED value.,CCC(C)(C)C(C(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)c1ccccc1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 2 fluorine atoms, 1 chlorine atom, and 1 bromine atom.",N#CC(C(=O)c1cc(F)c(Cl)cc1F)c1ccc(Br)cc1
BondNum,"The molecule consists of 8 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",COC(=O)c1sccc1NC(=O)c1cc(Cl)ccc1C
FunctionalGroup,Please generate a molecule composed of and 1 hydroxyl group.,CC1CCCC(O)(C(C)(C)C)C1C
AddComponent,Please add a carboxyl to the molecule S=C(NCc1cccnc1)N1CCc2c([nH]c3ccccc23)C1.,O=C(O)c1cccc2c3c([nH]c12)CN(C(=S)NCc1cccnc1)CC3
SubComponent,Please substitute a nitrile in the molecule CC(C)n1cncc1C(C#N)NCc1cccs1 with a nitro.,CC(C)n1cncc1C(NO)NCc1cccs1
DelComponent,Remove a halo from the molecule CS(=O)(=O)N1CCC(Nc2ncc3cc(Cl)c(=O)n(C4CCCC4)c3n2)CC1.,CS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1
LogP,Please modify the molecule CC(C)CC(C(=O)Nc1nccs1)[NH+]1Cc2ccccc2C1 to increase its LogP value.,CC(C)C(c1nccs1)[NH+]1Cc2ccccc2C1
MR,Modify the molecule COc1ccccc1C1(C#N)COCCN1 to have a higher MR value.,COc1c(-c2ccccc2)cccc1C1(C#N)COCCN1
QED,Please modify the molecule Cc1ccc(NC(=O)c2nnc(C(=O)NC3CCCCCC3)s2)cc1 to increase its QED value.,CNC(=O)c1nnc(C(=O)NC2CCCCCC2)s1
AtomNum,"There is a molecule with 11 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",Cc1ccc(CC(C)NCCS(C)(=O)=O)s1
BondNum,"Please generate a molecule with 19 single bonds, and 5 rotatable bonds.",CC([NH2+]CC1(CO)CCCCC1)C1CCOCC1
FunctionalGroup,"Please generate a molecule composed of 2 ketone groups, 1 ester group, 2 amide groups, and 1 sulfide group.",CC(=O)Nc1nc(C(=O)OC(C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1
AddComponent,Please add a amine to the molecule Cn1cc([N+](=O)[O-])cc1COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl.,Cn1cc([N+](=O)[O-])cc1COP(=O)(N(CCCl)CCCl)N(CCCl)C(N)CCl
SubComponent,Modify the molecule halo by substituting a CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)CC1CCC(C(F)(F)F)CC1 with a thiol.,CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)CC1CCC(C(F)(F)S)CC1
DelComponent,Please remove a CN(C(=O)NC1CC1c1ccccc1Br)C1C[NH2+]CC1O from the molecule benzene ring.,CN(C(=O)NC1CC1Br)C1C[NH2+]CC1O
LogP,Modify the molecule C[NH+]1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1 to decrease its LogP value.,C[NH+]1CCN(C(=O)c2ccccc2OCc2ccccc2)CC1
MR,Please modify the molecule COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)c2cc(OC)c(OC)c(OC)c2)cc1 to decrease its MR value.,COc1ccc(C(=O)NC(=O)NC(C)c2cc(OC)c(OC)c(OC)c2)cc1
QED,Please modify the molecule CC([NH3+])(Cc1ccc(F)cc1)c1ccccc1Br to decrease its QED value.,CC([NH3+])(Cc1ccc(F)cc1)c1cc(-c2ccccc2)ccc1Br
AtomNum,"Please generate a molecule consisting 9 carbon atoms, 2 oxygen atoms, and 1 bromine atom.",O=c1ccc2cc(Br)ccc2o1
BondNum,"Please generate a molecule consisting 25 single bonds, 5 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC1CC2(CCC1C(=O)N(C)C)N(C)C(=O)c1c([O-])c(=O)c(C(=N)SC(=N)Cc3ccc(F)cc3)cn1N2C
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 1 amine group, and 2 halo groups.",CC(Cc1ccc(F)cc1)NC(=O)c1ccc(Cl)c(N)c1
AddComponent,Modify the molecule Cn1ccnc1SCc1ccccc1C#CCCO by adding a benzene ring.,Cn1ccnc1SCc1cc(-c2ccccc2)ccc1C#CCCO
SubComponent,Please substitute a halo in the molecule CCOC(=O)N1c2ccc(OC(F)(F)F)cc2C(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(N)=O)CC1C1CC1 with a nitro.,CCOC(=O)N1c2ccc(OC(F)(F)NO)cc2C(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(N)=O)CC1C1CC1
DelComponent,Modify the molecule CSCc1nc(-c2ccccc2)c(CC[NH2+]C2CC2)s1 by removing a benzene ring.,CSCc1ncc(CC[NH2+]C2CC2)s1
LogP,Modify the molecule CC(C)c1cc(Nc2nc(N3CCCC3C(=O)Nc3ncc(Cl)s3)nc3c2CCC3)n[nH]1 to decrease its LogP value.,CC(C)c1cc(Nc2nc(N3CCCC3C(=O)Nc3nccs3)nc3c2CCC3)n[nH]1
MR,Modify the molecule O=C(NCCC[NH+]1CCCC1)c1ccc(CSc2ccccc2)cc1 to have a higher MR value.,NC1CCC[NH+]1CCCNC(=O)c1ccc(CSc2ccccc2)cc1
QED,Please modify the molecule Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C to decrease its QED value.,Cc1ccc(S(=O)(=O)NCC[NH+]2CCOCC2)cc1C
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCN(CCC[NH+](C)C)S(=O)(=O)c1cnc(N)nc1
BondNum,"There is a molecule with 3 single bonds, 1 double bond, 1 rotatable bond, and 11 aromatic bonds.",O=Nc1ccc(O)c2cccc(O)c12
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amide groups, and 1 halo group.",Cc1onc(C(=O)N2CCC(C(N)=O)CC2)c1-c1ccccc1Cl
AddComponent,Please add a hydroxyl to the molecule CCC(c1ccc(Br)cc1)[NH+]1CCNC(=O)C1CC(=O)[O-].,CCC(c1ccc(Br)cc1)[NH+]1CCNC(=O)C1C(O)C(=O)[O-]
SubComponent,Please substitute a nitrile in the molecule COc1ccc(N=CC=C([Se]C#N)c2ccc(OC)cc2)cc1 with a carboxyl.,COc1ccc(N=CC=C([Se]C(=O)[OH])c2ccc(OC)cc2)cc1
DelComponent,Modify the molecule benzene ring by removing a Cc1cc(NC(=O)CSc2nnc(-c3ccccc3Br)n2-c2ccccc2)no1.,Cc1cc(NC(=O)CSc2nnc(Br)n2-c2ccccc2)no1
LogP,Modify the molecule COC(=O)CCCn1ccc(C(=O)[O-])c1C to decrease its LogP value.,COC(=O)CCCn1cc(C#N)c(C(=O)[O-])c1C
MR,Modify the molecule OCC1(CO)COC(c2cc(C3OCC(CO)(CO)CO3)cc(C3OCC4(CO3)COC(c3cc(C5OCC6(COC(c7cc(C8OCC(CO)(CO)CO8)cc(C8OCC(CO)(CO)CO8)c7)OC6)CO5)cc(C5OCC6(COC(c7cc(C8OCC(CO)(CO)CO8)cc(C8OCC(CO)(CO)CO8)c7)OC6)CO5)c3)OC4)c2)OC1 to have a lower MR value.,CC1(CO)COC(c2cc(C3OCC(CO)(CO)CO3)cc(C3OCC4(CO3)COC(c3cc(C5OCC6(COC(c7cc(C8OCC(CO)(CO)CO8)cc(C8OCC(CO)(CO)CO8)c7)OC6)CO5)cc(C5OCC6(COC(c7cc(C8OCC(CO)(CO)CO8)cc(C8OCC(CO)(CO)CO8)c7)OC6)CO5)c3)OC4)c2)OC1
QED,Optimize the molecule CC1(C)OCC(c2ccccc2-c2cc(C(=O)[O-])on2)O1 to have a higher QED value.,CC1(C)OCC(c2ccccc2-c2noc(C(=O)[O-])c2O)O1
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CC(N)(C(=O)NCCc1cccs1)C(F)(F)F
BondNum,"Please generate a molecule consisting 15 single bonds, 1 double bond, 12 rotatable bonds, and 11 aromatic bonds.",CCCCCCCCCCOC(=S)COc1ccc(Cl)c2cccnc12
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, 1 nitro group, and 3 halo groups.",C=CCN(CC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1C
AddComponent,Add a benzene ring to the molecule O=C(CCc1ccco1)N1CC(O)CC1c1cc(F)ccc1F.,O=C(CCc1occc1-c1ccccc1)N1CC(O)CC1c1cc(F)ccc1F
SubComponent,Substitute a halo in the molecule O=C([O-])C1CC2CCCCC2N1C(=O)c1ccc(OCC(F)(F)F)nc1 with a aldehyde.,CC(=O)C(F)(F)COc1ccc(C(=O)N2C(C(=O)[O-])CC3CCCCC32)cn1
DelComponent,Modify the molecule halo by removing a CCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(C(C)C)c3n2)s1.,CCc1ccc(-c2cc(C(F)F)c3c(C)nn(C(C)C)c3n2)s1
LogP,Optimize the molecule CCOC(=O)Oc1ncn(-c2cc3c(=O)n(NS(C)(=O)=O)c(=O)[nH]c3cc2C(F)(F)F)n1 to have a lower LogP value.,CCOC(=O)Oc1ncn(-c2cc3c(=O)n(NS(C)(=O)=O)c(=O)[nH]c3cc2C(O)(F)F)n1
MR,Please modify the molecule FC(F)(F)c1cc(N2CCOC(c3ccco3)C2)nc(-c2ccccn2)n1 to decrease its MR value.,FC(F)c1cc(N2CCOC(c3ccco3)C2)nc(-c2ccccn2)n1
QED,Optimize the molecule COCCNC(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(Cl)cc1)CCC2 to have a higher QED value.,COCCNC(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccccc1)CCC2
AtomNum,"There is a molecule consisting of 18 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCCN(Cc1ccccn1)S(=O)(=O)c1ccc(-c2onc(C)c2C)o1
BondNum,"Please generate a molecule with 8 single bonds, 5 rotatable bonds, and 16 aromatic bonds.",Cc1cc(NCc2ccc(CO)o2)nn1-c1ccc(Cl)cc1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, 1 halo group, 1 thioether group, and 2 sulfide groups.",CSc1csc2cc(CCl)c(CO)cc12
AddComponent,Please add a benzene ring to the molecule CNc1nn2c(C)cc(C[NH3+])nc2c1S(=O)c1ccc(F)c(Cl)c1.,CNc1nn2c(C)cc(C[NH3+])nc2c1S(=O)c1cc(Cl)c(F)cc1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a CCn1cc(Cl)cc1C(=O)Nc1n[nH]c2ccccc12 with a nitro.,CCn1cc(NO)cc1C(=O)Nc1n[nH]c2ccccc12
DelComponent,Remove a amide from the molecule O=C(COC(=O)Cc1csc(-c2cccnc2)n1)NCCCc1ccccc1.,O=C(Cc1csc(-c2cccnc2)n1)OCCCc1ccccc1
LogP,Optimize the molecule CC[NH2+]Cc1ccc(-c2ccc(OC)c(C)c2)cc1 to have a lower LogP value.,CC[NH2+]Cc1ccc(COC)cc1
MR,Please optimize the molecule Cc1ccc(-n2cnnc2SCC(=O)N(C)Cc2ccsc2)c(C)c1 to have a higher MR value.,Cc1ccc(-n2cnnc2SCC(=O)N(CO)Cc2ccsc2)c(C)c1
QED,Please optimize the molecule CCN(c1cccc(C)c1)c1ncnc(NCCc2ccccc2)c1[N+](=O)[O-] to have a higher QED value.,CCN(c1cccc(C)c1)c1ncnc(NCCc2ccccc2)c1[SH]=O
AtomNum,"There is a molecule with 15 carbon atoms, and 3 nitrogen atoms.",CNc1cccc(-c2nc(CC(C)C)c(C)[nH]2)c1
BondNum,"There is a molecule with 14 single bonds, 1 double bond, 5 rotatable bonds, and 23 aromatic bonds.",Cc1c(CNC(=O)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ketone group, 1 amide group, and 1 nitro group.",COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(=C([O-])c4ccc([N+](=O)[O-])cc4)C3c3ccco3)c2c1
AddComponent,Modify the molecule CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC by adding a hydroxyl.,CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC1OC(COC2OC(C(O)O)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC
SubComponent,Substitute a hydroxyl in the molecule ON=Cc1ccc(Cl)cc1Cl with a nitro.,ONN=Cc1ccc(Cl)cc1Cl
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1.,CCOc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)F)cc1
LogP,Please optimize the molecule COc1ccc(O)c(C(=O)N(C)CCOC(C)C)c1 to have a higher LogP value.,COc1cccc(C(=O)N(C)CCOC(C)C)c1
MR,Please optimize the molecule CN(c1ccccc1)c1nncc(NC2CC2)n1 to have a higher MR value.,CN(c1cccc(N)c1)c1nncc(NC2CC2)n1
QED,Optimize the molecule CC(C)(C)CCN1CC[NH+](Cc2ccccc2F)CC1 to have a lower QED value.,CC(C)(C)CCN1CC[NH+](Cc2ccccc2)CC1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1cnc(=O)[nH]c1SCC(=O)Nc1cccc(Cl)c1
BondNum,"Please generate a molecule composed of 10 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",Cc1cc(C)c(CNC(=O)Cc2c(C)nc3nc(N)nn3c2C)c(=O)[nH]1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 ester group.",CCOC(=O)C1c2cc(O)ccc2CC[NH+]1Cc1ccccc1
AddComponent,Add a benzene ring to the molecule CCC(C)OCc1ccc(C(C)CC)cc1.,CCC(C)c1ccc(COC(C)CCc2ccccc2)cc1
SubComponent,Substitute a halo in the molecule CC(C)(C)c1ccc2[nH]c(-c3ccccc3Cl)c(C=O)c2c1 with a hydroxyl.,CC(C)(C)c1ccc2[nH]c(-c3ccccc3O)c(C=O)c2c1
DelComponent,Please remove a benzene ring from the molecule COC(=O)c1cc(N)ccc1NCC[NH+]1CCOCC1.,COC(=O)N(N)CC[NH+]1CCOCC1
LogP,Modify the molecule O=C1COc2ccccc2CC(O)C(O)CC2(CCN(C(=O)CCn3ccnc3)CC2)CN1 to have a higher LogP value.,O=C1COc2ccccc2CCC(O)CC2(CCN(C(=O)CCn3ccnc3)CC2)CN1
MR,Please optimize the molecule Cc1ccc(C(=O)OCC(Br)CBr)cc1 to have a lower MR value.,Cc1ccc(C(=O)OCC(C)Br)cc1
QED,Please modify the molecule CCCc1ccc(NCc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)cc1 to decrease its QED value.,CCCc1ccc(NCc2nc3scc(-c4ccccc4S)c3c(=O)[nH]2)cc1
AtomNum,"There is a molecule composed of 13 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",C=CC[NH+]=C(N)Nc1cc(OC)c(OC)c(OC)c1
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, 2 rotatable bonds, and 5 aromatic bonds.",Cc1nsc(N)c1C(=O)OC1CCCCC1C
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 amine groups.",CCOc1ccc(CNc2ccc(N)c(C)n2)cc1
AddComponent,Add a hydroxyl to the molecule CCC1=NN2C(=[NH2+])C(=Cc3ccc(OCCOc4ccc(C)cc4)cc3)C(=O)[NH+]=C2S1.,Cc1ccc(OCCOc2ccc(C=C3C(=[NH2+])N4N=C(CCO)SC4=[NH+]C3=O)cc2)cc1
SubComponent,Substitute a hydroxyl in the molecule CCCCCCCC=CC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCC with a carboxyl.,CCCCCCCC=CC=CC(C(=O)[OH])C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCC
DelComponent,Remove a benzene ring from the molecule CC(C)CN(CC(C)C)C(=O)Cn1c(CCCCCNC(=O)c2ccc(Br)cc2)nc2ccccc21.,CC(C)CN(CC(C)C)C(=O)Cn1c(CCCCCNC(=O)Br)nc2ccccc21
LogP,Modify the molecule CN(C(=O)c1ccncc1Cl)C(C[NH3+])C1CC1 to have a lower LogP value.,CN(C(=O)c1ccncc1C#N)C(C[NH3+])C1CC1
MR,Modify the molecule O=CN1CCN(OP(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC1 to have a higher MR value.,O=CN1CCN(OP(=O)(OCC(O)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC1
QED,Modify the molecule Cn1ccnc1CN(C(=O)C1CCC(=O)NC1)C1CC1 to decrease its QED value.,Cn1ccnc1CN(C(=O)C1CCC(=O)NC1)C1(O)CC1
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 7 nitrogen atoms, and 1 sulfur atom.",c1csc(C(CNc2ccc3nnnn3n2)[NH+]2CCOCC2)c1
BondNum,"There is a molecule with 12 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",C[NH+]1CCC(C(O)c2cccc(C[NH3+])c2)CC1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ester group, and 4 halo groups.",CCCCCCOC(=O)c1cccc(C(F)(F)F)c1F
AddComponent,Modify the molecule CON(C)C(=O)c1nc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cnc1N by adding a hydroxyl.,CON(C)C(=O)c1nc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2CO)cnc1N
SubComponent,Please substitute a hydroxyl in the molecule O=C(N=Nc1[nH]c2ccccc2c1O)c1n[nH]c2ccccc12 with a nitrile.,N#Cc1c(N=NC(=O)c2n[nH]c3ccccc23)[nH]c2ccccc12
DelComponent,Remove a hydroxyl from the molecule CC(C[NH2+]C(C)(C)CO)Cc1ccc2c(c1)OCO2.,CC(C[NH2+]C(C)(C)C)Cc1ccc2c(c1)OCO2
LogP,Please modify the molecule CCc1ccc(OC(C)C(=O)N2CCN(c3ccc(C)c(C#N)n3)CC2)cc1 to decrease its LogP value.,CCOC(C)C(=O)N1CCN(c2ccc(C)c(C#N)n2)CC1
MR,Optimize the molecule Cc1cc(-c2ncccc2NC(=O)N2C3CCC2COC3)cs1 to have a higher MR value.,Cc1cc(-c2ncccc2NC(=O)N2C3CCC2(c2ccccc2)COC3)cs1
QED,Please optimize the molecule CCCC1NC(=O)CCN(CC(C)(C)C)C1=O to have a lower QED value.,CCCC1NC(=O)CCN(CC(C)(C)CS)C1=O
AtomNum,"The molecule contains 10 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 1 chlorine atom, and 1 bromine atom.",Cn1nccc1S(=O)(=O)Nc1cccc(Cl)c1Br
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=C(CSc1cc(N2CCOCC2)ncn1)Nc1ccc([N+](=O)[O-])cc1
FunctionalGroup,There is a molecule with and 1 benzene ring group.,O=C([O-])C=Cc1ccc(COCc2ccccc2)o1
AddComponent,Modify the molecule O=S(=O)(Cl)CCS(=O)(=O)c1ccc2nnnn2n1 by adding a benzene ring.,O=S(=O)(CC(c1ccccc1)S(=O)(=O)Cl)c1ccc2nnnn2n1
SubComponent,Modify the molecule halo by substituting a CCN(CC)C(=O)Oc1c(-c2cc(C)nc(OS(=O)(=O)C(F)(F)F)c2NC(=O)C(C)(C)C)ccc(OC)c1OC with a hydroxyl.,CCN(CC)C(=O)Oc1c(-c2cc(C)nc(OS(=O)(=O)C(O)(F)F)c2NC(=O)C(C)(C)C)ccc(OC)c1OC
DelComponent,Remove a amide from the molecule Cc1ccc(CNC(=O)CCCCO)cc1.,Cc1ccc(CCCCO)cc1
LogP,Modify the molecule C=CCSc1nnc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)s1 to decrease its LogP value.,C=CCSc1nnc(NC(=O)NS(=O)(=O)c2ccccc2)s1
MR,Optimize the molecule CC([NH3+])C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 to have a lower MR value.,CC([NH3+])C1CC[NH+](CN(C)C)CC1
QED,Modify the molecule CC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N to have a lower QED value.,CC(=O)c1nc(-c2cc(S)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N
AtomNum,"There is a molecule with 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",Cc1ccccc1OCCC(=O)Nc1ccccc1Cl
BondNum,"There is a molecule composed of 7 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",C[NH2+]C(Cc1ccccc1)c1ncc(Br)cc1Br
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 3 halo groups.",O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(O)c2ccccc2)CC1
AddComponent,Add a amine to the molecule [NH3+]CCCOC1CCN(C(=O)c2ccc(Br)cc2Cl)CC1.,Nc1cc(Br)cc(Cl)c1C(=O)N1CCC(OCCC[NH3+])CC1
SubComponent,Please substitute a halo in the molecule C[NH+]1CCN(C(=O)C2CC2c2c(F)cccc2F)C(C)(C)C1 with a nitro.,C[NH+]1CCN(C(=O)C2CC2c2c(F)cccc2NO)C(C)(C)C1
DelComponent,Please remove a O=S(=O)(NC1(CO)CC2CCC1C2)c1ccc(Cl)s1 from the molecule halo.,O=S(=O)(NC1(CO)CC2CCC1C2)c1cccs1
LogP,Please modify the molecule C=c1c(Cl)c(N2CCC(C)CC2)c(O)c2c1=CCCC2 to increase its LogP value.,C=c1c(Cl)c(N2CCC(C)CC2)cc2c1=CCCC2
MR,Optimize the molecule Cc1ccccc1C(=O)Nc1cccc(SCC(=O)N2CCCc3ccccc32)c1 to have a lower MR value.,CC(=O)Nc1cccc(SCC(=O)N2CCCc3ccccc32)c1
QED,Optimize the molecule CCC(CC[NH3+])CCC(=O)C(C)(C)C to have a lower QED value.,CCC(CCC(=O)C(C)(C)C)CC([NH3+])O
AtomNum,"There is a molecule with 11 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CN(C)c1ccc(NS(=O)(=O)c2scnc2C(=O)[O-])cn1
BondNum,"There is a molecule composed of 2 single bonds, 1 double bond, and 10 aromatic bonds.",Cc1ccccc(C)c(=S)[nH]cc1
FunctionalGroup,Please generate a molecule consisting and 1 amine group.,CNc1nc(=O)n(C2CCCC(C)C2C)c(=O)n1C
AddComponent,Modify the molecule CCC(C)CC(=O)c1cccc2c1OCCN2 by adding a hydroxyl.,CCC(C)CC(=O)c1c(O)ccc2c1OCCN2
SubComponent,Substitute a CCOc1cc(F)c(F)cc1C[NH3+] in the molecule halo with a carboxyl.,CCOc1cc(C(=O)[OH])c(F)cc1C[NH3+]
DelComponent,Remove a amine from the molecule COc1cc(OC2CCCc3ccccc32)ccc1N.,COc1cccc(OC2CCCc3ccccc32)c1
LogP,Modify the molecule CCOc1ccc2ccccc2c1C(=O)NCCn1ncc2c(=O)n(Cc3cccc(C)c3)cnc21 to have a lower LogP value.,CCOc1ccc2c(O)cccc2c1C(=O)NCCn1ncc2c(=O)n(Cc3cccc(C)c3)cnc21
MR,Modify the molecule O=C(C=Cc1nc2ccccc2[nH]c1=O)c1ccc(C(=O)N2CCc3ccccc32)cc1 to decrease its MR value.,O=C(C=Cc1nc2ccccc2[nH]c1=O)C(=O)N1CCc2ccccc21
QED,Modify the molecule O=C(Nc1ccc(S(=O)(=O)[O-])cc1)OCCCc1cccc(F)c1 to increase its QED value.,O=C(Nc1ccc(S(=O)(=O)[O-])cc1)OCCCc1ccccc1
AtomNum,"The molecule consists of 15 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CC(=O)N1CCN(C(=O)NCCc2cccc(Cl)c2)CC1
BondNum,"The molecule consists of 5 single bonds, 2 rotatable bonds, and 17 aromatic bonds.",Cc1cc(C)nc(-n2cc(N)c(-c3cnccn3)n2)n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 1 halo group, and 1 nitrile group.",Cc1cc(O)c(Cl)cc1C1(C#N)CCC1
AddComponent,Please add a benzene ring to the molecule O=C(OCc1ccccc1)C1CCC[NH+]1C1CC[NH2+]CC1.,O=C(OCc1ccccc1)C1CCC[NH+]1C1CC[NH2+]CC1c1ccccc1
SubComponent,Please substitute a halo in the molecule O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCSCc1c(Cl)cccc1Cl with a aldehyde.,CC(=O)C(F)(F)c1cccc(N(CC(=O)NCCSCc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1
DelComponent,Remove a CC[NH2+]C(CC)c1nnc(-c2cccc(C(F)(F)F)c2)o1 from the molecule benzene ring.,CC[NH2+]C(CC)c1nnc(C(F)(F)F)o1
LogP,Modify the molecule CC(C)Nc1cc2cc(c1)Nc1nccc(n1)-c1ccc(cc1)C[NH+](C)CCCNC(=O)C(CO)[NH2+]C2 to decrease its LogP value.,CC(C)Nc1cc2cc(c1)Nc1nccc(n1)-c1ccc(c(C#N)c1)C[NH+](C)CCCNC(=O)C(CO)[NH2+]C2
MR,Modify the molecule CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCSc1ccccc1Br to increase its MR value.,CC(c1ccc(S(N)(=O)=O)cc1)N(CO)C(=O)CCSc1ccccc1Br
QED,Modify the molecule O=C1c2cccc(-c3ccc4c(c3)C(=O)N(c3ccccc3-c3ccccc3)C4=O)c2C(=O)N1c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6cccc(-c7ccc8c(c7)C(=O)N(c7ccccc7-c7ccccc7)C8=O)c6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1 to have a lower QED value.,O=C1c2cccc(-c3ccc4c(c3)C(=O)N(c3ccccc3-c3ccccc3)C4=O)c2C(=O)N1c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6cccc(-c7ccc8c(c7)C(=O)N(c7ccccc7-c7ccccc7)C8=O)c6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)C(=O)[OH])cc2)cc1
AtomNum,"There is a molecule composed of 21 carbon atoms, 5 nitrogen atoms, and 1 chlorine atom.",Cc1nn(-c2ccc(Cl)cc2)c(C)c1-c1ccnc(NC2CCCCC2)n1
BondNum,"Please generate a molecule composed of 13 single bonds, 5 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1
FunctionalGroup,"The molecule contains 2 amide groups, 1 amine group, and 1 sulfone group.",CC(C)(C)C(=O)N(N)C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)[O-]
AddComponent,Add a nitrile to the molecule CCN(c1nc(Cl)cs1)C1CCC[NH2+]C1.,CCN(c1nc(Cl)cs1)C1C[NH2+]CC(C#N)C1
SubComponent,Please substitute a OC1CCC1C1=CCCCC1 in the molecule hydroxyl with a nitrile.,N#CC1CCC1C1=CCCCC1
DelComponent,Please remove a benzene ring from the molecule CC(C)(C)c1nc(CS(=O)(=O)Cc2cccc(S(=O)(=O)N3CCOCC3)c2)no1.,CC(C)(C)c1nc(CS(=O)(=O)CS(=O)(=O)N2CCOCC2)no1
LogP,Please optimize the molecule CC(C)(c1ccc(F)cc1)C(Cc1ccc(I)cc1)NN to have a higher LogP value.,CC(C)(c1ccc(F)cc1)C(N)Cc1ccc(I)cc1
MR,Please optimize the molecule CC(=O)c1ccc(N2CCN(C(=O)C=Cc3c(C)nn(CC(C)C)c3Cl)CC2)cc1 to have a lower MR value.,CC(=O)c1ccc(N2CCN(C(=O)C=Cc3cn(CC(C)C)nc3C)CC2)cc1
QED,Please optimize the molecule CN(c1ccccc1)c1ccc(Cl)nc1 to have a lower QED value.,CNc1ccc(Cl)nc1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 1 nitrogen atom, and 1 bromine atom.",CCC([NH2+]C(C)c1cccc(C)c1)c1ccc(Br)cc1
BondNum,"Please generate a molecule composed of 9 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",[NH3+]C(c1cccc(Br)n1)C1CCCC1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, and 1 ketone group.",COc1ccc(C(=O)C(C)Oc2ccc(C3OC(c4ccc(OC)c(OC)c4)C(C)C3C)cc2OC)cc1OC
AddComponent,Add a benzene ring to the molecule CCCC1CCC(C(Cc2ccncc2Cl)[NH2+]CC)CC1.,CCCC1CCC(C(Cc2ccncc2Cl)[NH2+]CC)CC1c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule COc1cc2c(cc1O)CCCC21CSC2c3c(OC(C)=O)c(C)c4c(c3C(COC1=O)[NH+]1C(O)C3Cc5cc(C)c(OC)c(O)c5C(C21)N3C)OCO4 with a halo.,COc1cc2c(cc1I)CCCC21CSC2c3c(OC(C)=O)c(C)c4c(c3C(COC1=O)[NH+]1C(O)C3Cc5cc(C)c(OC)c(O)c5C(C21)N3C)OCO4
DelComponent,Please remove a halo from the molecule O=C(NCC=Cc1cccc(Cl)c1)C(F)(F)F.,O=C(NCC=Cc1ccccc1)C(F)(F)F
LogP,Modify the molecule Cc1cc(I)ccc1OCc1c(C)cccc1-n1[nH]n(C)c1=O to decrease its LogP value.,Cc1cc(O)ccc1OCc1c(C)cccc1-n1[nH]n(C)c1=O
MR,Modify the molecule CCOc1ccc(NC(C)c2cccc(OC)c2)c(C)c1 to decrease its MR value.,CCOCNC(C)c1cccc(OC)c1
QED,Optimize the molecule CC(C)C1[NH+]=C2c3ccccc3[NH+]=C(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)N2C1=O to have a lower QED value.,CC(=O)C(F)(F)c1ccc(Cl)c(NC(=O)CSC2=[NH+]c3ccccc3C3=[NH+]C(C(C)C)C(=O)N23)c1
AtomNum,"The molecule contains 33 carbon atoms, 1 oxygen atom, 7 nitrogen atoms, and 1 sulfur atom.",C[NH+]1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6cccs6)c5)nc5ccccn45)n3)cc2C1
BondNum,"The molecule is composed of 16 single bonds, 3 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CCOc1ccccc1C(=O)NCC(=O)OCC(=O)NC(C)c1ccc(C)c(C)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, and 2 halo groups.",COC(C)(C)ONC(=C(Cl)c1cnccc1F)c1ccccc1
AddComponent,Add a benzene ring to the molecule CCCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3.,CCCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(c(-c4ccccc4)c2[nH]c1=O)OCO3
SubComponent,Substitute a nitrile in the molecule CC(C(=O)Nc1sccc1C#N)[NH+]1CCc2ccccc2C1 with a aldehyde.,CC(=O)c1ccsc1NC(=O)C(C)[NH+]1CCc2ccccc2C1
DelComponent,Please remove a nitrile from the molecule COc1ccc(-c2cc(-c3c(OC)ccn3C)nc(SC(C(=O)[O-])c3ccccc3)c2C#N)cc1.,COc1ccc(-c2cc(SC(C(=O)[O-])c3ccccc3)nc(-c3c(OC)ccn3C)c2)cc1
LogP,Optimize the molecule Bc1ccc2c(c1)C([NH+]1CCOCC1)C(=Cc1ccccc1)C2=O to have a lower LogP value.,Bc1ccc2c(c1)C([NH+]1CCOCC1)C(=C)C2=O
MR,Modify the molecule CCOC(=O)c1c(O)c2cc(Cl)c(Cl)cc2c(=O)n1Cc1ccco1 to have a higher MR value.,CCOC(=O)c1c(O)c2c(O)c(Cl)c(Cl)cc2c(=O)n1Cc1ccco1
QED,Optimize the molecule CC(O)CC(C)NC(=O)c1cc(Cl)cn1C1CC1 to have a lower QED value.,CC(O)CC(C)NC(=O)c1cc(O)cn1C1CC1
AtomNum,"There is a molecule with 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",O=C1C(=NNc2ccccc2)CCOc2ccccc21
BondNum,"Please generate a molecule composed of 13 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CSCCN(C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1
FunctionalGroup,"There is a molecule consisting of 1 amide group, 2 thioether groups, and 1 sulfide group.",CCCCCCCCSCCN1C(=O)CCC1C(=O)[O-]
AddComponent,Please add a amine to the molecule CCSc1cc(-c2ccccc2)cnc1C(=O)N(C)c1nnc(C(F)(F)F)s1.,CCSc1c(C(=O)N(C)c2nnc(C(F)(F)F)s2)ncc(-c2ccccc2)c1N
SubComponent,Modify the molecule hydroxyl by substituting a Nc1nc(CC(=O)Nc2ccc(O)c(Cl)c2)cs1 with a nitrile.,N#Cc1ccc(NC(=O)Cc2csc(N)n2)cc1Cl
DelComponent,Please remove a benzene ring from the molecule Cc1cc(-c2ccc(C(F)(F)F)cc2)sc1C(Oc1ccc(C(=O)[O-])cc1)C1CCCCC1.,Cc1cc(C(F)(F)F)sc1C(Oc1ccc(C(=O)[O-])cc1)C1CCCCC1
LogP,Modify the molecule CC1c2ccsc2CCN1C(=O)c1ccc(NC2CC2)nc1 to decrease its LogP value.,CC1c2ccsc2CCN1C(=O)c1ccc(NC2CC2N)nc1
MR,Please optimize the molecule CCc1ccccc1-c1c(C(=O)OC)cc(O)c2ccccc12 to have a higher MR value.,CCc1ccccc1-c1c(C(=O)OC)cc(NO)c2ccccc12
QED,Optimize the molecule Cc1ccc([N+](=O)[O-])cc1Nc1cnn(C)c1 to have a lower QED value.,CN(c1cnn(C)c1)[N+](=O)[O-]
AtomNum,"Please generate a molecule with 8 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CCOc1ccnc(NOCC(=O)[O-])n1
BondNum,"There is a molecule with 11 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",Cc1ccccc1CC(CO)CCCC(C)C
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 ketone group.",COc1ccc(OC)c(C=C2Oc3c4c(cc(C)c3C2=O)OC[NH+](C2CC2)C4)c1
AddComponent,Add a hydroxyl to the molecule O=C(NCc1ccco1)N1CCC2(CC1)OCCO2.,O=C(NCc1ccco1)N1CCC2(OCCO2)C(O)C1
SubComponent,Substitute a halo in the molecule O=C(NC1CCCN(C(=O)CCC2CCCCC2)C1)c1ccc(Cl)s1 with a nitrile.,N#Cc1ccc(C(=O)NC2CCCN(C(=O)CCC3CCCCC3)C2)s1
DelComponent,Modify the molecule nitrile by removing a Cc1ccc(C2C(C#N)=C3[NH+]=C(N)c4ccccc4N3C3=C2C(=O)CCC3)cc1.,Cc1ccc(C2C=C3[NH+]=C(N)c4ccccc4N3C3=C2C(=O)CCC3)cc1
LogP,Please modify the molecule CCCN(C(=O)C(C)(O)c1ccccc1)C(C)C(=O)Nc1ccc(-c2ccc(-c3ccc(NC(=O)C4CCCN4C(=O)C(C)c4ccccc4)cc3)o2)cc1 to decrease its LogP value.,CCCN(C(=O)C(C)(NO)c1ccccc1)C(C)C(=O)Nc1ccc(-c2ccc(-c3ccc(NC(=O)C4CCCN4C(=O)C(C)c4ccccc4)cc3)o2)cc1
MR,Please optimize the molecule Cc1cc(Br)c2c(c1)C1CC(C)(O2)N(C)C(=O)N1 to have a lower MR value.,Cc1cc(O)c2c(c1)C1CC(C)(O2)N(C)C(=O)N1
QED,Optimize the molecule CCCCCCCCCCCCCCCC[SiH2]N to have a lower QED value.,CCCCCCCCCCCCCCCC[SiH2]
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",O=C(NCC1CC[NH+](C2CCOC2)CC1)c1ccccc1C(F)(F)F
BondNum,"The molecule is composed of 19 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",CCC(C)(C)C(=O)Oc1c(OC)c(OC)c(OCC(C)(C)C)c2cc(C)c(C)cc12
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 2 amine groups, 1 halo group, and 1 sulfone group.",COc1c(OS(=O)(=O)c2ccccc2Cl)cccc1C1CCN(C(N)=[NH2+])CC1
AddComponent,Add a hydroxyl to the molecule C#CC[NH2+]Cc1nc2ccccc2n1C.,C#CC[NH2+]Cc1nc2ccc(O)cc2n1C
SubComponent,Please substitute a halo in the molecule CC1CCN(c2ccc(CNc3cccc(Cl)c3)cn2)CC1 with a hydroxyl.,CC1CCN(c2ccc(CNc3cccc(O)c3)cn2)CC1
DelComponent,Please remove a benzene ring from the molecule CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1.,CC(=O)S(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)oc1ccccc12
LogP,Modify the molecule Cc1cccc(CC(=O)NC(CCl)Cc2ccccc2)c1 to increase its LogP value.,Cc1cccc(CC(=O)NC(CCl)Cc2ccc(-c3ccccc3)cc2)c1
MR,Modify the molecule Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 to have a lower MR value.,Cc1nnnn1-c1cc(-c2(C)nc(Cc3ccccc3)s-2)ccc1F
QED,Please optimize the molecule C=CCc1ccc2c(c1)SCC2 to have a higher QED value.,C=C(Cc1ccc2c(c1)SCC2)c1ccccc1
AtomNum,"The molecule contains 22 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2n1
BondNum,"There is a molecule with 7 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=Cc1cc(C(F)F)c(I)nc1[N+](=O)[O-]
FunctionalGroup,There is a molecule consisting of and 1 amide group.,CCCNC(=O)C[NH2+]CC1CCC=CO1
AddComponent,Modify the molecule C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCOc2ccccc2)c1=O by adding a thiol.,C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(S)COc2ccccc2)c1=O
SubComponent,Please substitute a hydroxyl in the molecule COC(C(=O)NCCO)C(C)O with a nitro.,COC(C(=O)NCCNO)C(C)O
DelComponent,Remove a halo from the molecule O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1.,O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1
LogP,Please modify the molecule CC(C)CCCNC(CC(F)(F)F)c1ccccc1 to decrease its LogP value.,CC(C)CCCNC(c1ccccc1)C(N)C(F)(F)F
MR,Modify the molecule O=C([O-])C(CO)c1ccc(Cl)cc1Cl to have a lower MR value.,CC(C(=O)[O-])c1ccc(Cl)cc1Cl
QED,Please modify the molecule CCNC(NCc1ccc(N2CCOCC2)cc1)=[NH+]Cc1ccc(F)c(C)c1 to decrease its QED value.,CCNC(NCc1ccc(N2CCOCC2)cc1)=[NH+]Cc1ccc(NO)c(C)c1
AtomNum,"There is a molecule with 19 carbon atoms, 7 oxygen atoms, 1 nitrogen atom, and 1 silicon atom.",C=CC(OCOCC[Si](C)(C)C)C1OC(=O)N(OC2CCCCO2)C1C(C)O
BondNum,"There is a molecule consisting of 16 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",O=C(COC(=O)c1ccccc1Oc1cccnc1)NC(C1CC1)C1CC1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 amide groups, and 1 halo group.",O=C(CC(=O)N1CCC2(CC1)OCCO2)Nc1ccccc1Br
AddComponent,Modify the molecule CC(C)OCC(O)c1ccc(C(=O)[O-])cc1 by adding a benzene ring.,CC(Cc1ccccc1)OCC(O)c1ccc(C(=O)[O-])cc1
SubComponent,Modify the molecule halo by substituting a COc1cc(CN(CC[NH3+])C(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1 with a nitrile.,COc1cc(CN(CC[NH3+])C(=O)c2cccs2)ccc1OCc1ccc(C#N)cc1
DelComponent,Modify the molecule amide by removing a CCCC1(c2ccccc2)NC(=O)N(CC(=O)NC2CCC(C(C)(C)CC)CC2)C1=O.,CCCC1(c2ccccc2)NC(=O)N(C2CCC(C(C)(C)CC)CC2)C1=O
LogP,Modify the molecule CCn1nccc1C1(O)Cc2ccccc2C1 to have a higher LogP value.,CC(=O)C1(c2ccnn2CC)Cc2ccccc2C1
MR,Please optimize the molecule CC1(C2CC2)NC(=O)N(CC2(c3c(F)cccc3F)CC2)C1=O to have a higher MR value.,CC1(C2CC2c2ccccc2)NC(=O)N(CC2(c3c(F)cccc3F)CC2)C1=O
QED,Modify the molecule Cc1ccc(Cl)cc1C(=O)NC1CC=CCC2CCC(C(=O)[O-])N2C1=O to decrease its QED value.,Cc1ccc(S)cc1C(=O)NC1CC=CCC2CCC(C(=O)[O-])N2C1=O
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 7 nitrogen atoms, and 1 sulfur atom.",CCc1nc(SCC(=O)NCCn2nnc3ccccc32)n[nH]1
BondNum,"Please generate a molecule consisting 8 single bonds, 4 rotatable bonds, and 15 aromatic bonds.",CCCc1nc2cc(N)ccc2n1C(C)c1ncc(C)o1
FunctionalGroup,Please generate a molecule consisting and 2 amide groups.,COc1ccc(C(=O)N2CCN(c3ccccn3)CCCN(C(=O)CC(C)C)c3ccccc3C2)c2ccccc12
AddComponent,Add a thiol to the molecule CC(CNC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2[N+](=O)[O-])cc1.,CC(CNC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(cnn3C(=O)OC(C)(C)CS)c2[N+](=O)[O-])cc1
SubComponent,Modify the molecule hydroxyl by substituting a CCCC(=O)NC1CC[NH+](CCC(=O)CC(=O)c2ccccc2O)CC1 with a nitro.,CCCC(=O)NC1CC[NH+](CCC(=O)CC(=O)c2ccccc2NO)CC1
DelComponent,Remove a halo from the molecule CC[NH+](CC)CCSCc1c(N)cccc1Cl.,CC[NH+](CC)CCSCc1ccccc1N
LogP,Optimize the molecule CC(C)c1cccnc1C=NO to have a higher LogP value.,CC(=O)N=Cc1ncccc1C(C)C
MR,Optimize the molecule COc1ccc(NCc2cc(C)c(C)cc2C)cc1F to have a higher MR value.,COc1ccc(NCc2cc(C)c(C)cc2C)cc1C(=O)[OH]
QED,Optimize the molecule COc1cc(OC(=O)c2cccs2)ccc1-c1ccc2c(c1C([NH3+])c1cc(F)ccc1C)C(C)=CC(C)(C)N2 to have a higher QED value.,COc1cc(OC(=O)c2cccs2)ccc1-c1ccc2c(c1C([NH3+])c1ccccc1C)C(C)=CC(C)(C)N2
AtomNum,"The molecule is composed of 13 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",COc1cc(NCc2ccc(F)cc2)nc(OC)n1
BondNum,"There is a molecule with 9 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",Cc1cc(Cl)c2nc(CC[NH2+]C(C)C)n(C)c2c1
FunctionalGroup,"The molecule has 1 ester group, and 1 sulfide group.",CCOC(=O)C(C)C[NH+](C)Cc1scnc1C
AddComponent,Modify the molecule CNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3cc(C)cc(C)c3)CC2)c1 by adding a hydroxyl.,CNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3cc(C)cc(C)c3)C(O)C2)c1
SubComponent,Please substitute a hydroxyl in the molecule CSc1nc(N)cc(NC2(CO)CC2)n1 with a thiol.,CSc1nc(N)cc(NC2(CS)CC2)n1
DelComponent,Modify the molecule benzene ring by removing a FC(F)(F)c1cc(-c2ccc(Cl)cc2)n[nH]1.,FC(F)(F)c1cc(Cl)n[nH]1
LogP,Modify the molecule CCC([NH3+])C(OCc1cccc(Br)c1)c1ccc(C)o1 to have a lower LogP value.,CCC([NH3+])C(OCc1cccc(C#N)c1)c1ccc(C)o1
MR,Modify the molecule CC(C)(O)Cc1cccc(CCCC[NH3+])c1 to increase its MR value.,CC(O)(CN)Cc1cccc(CCCC[NH3+])c1
QED,Please modify the molecule CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)[O-])C(C)C(=O)NC2CCOCC2)CC1 to increase its QED value.,CC1CC(c2cc(C#CC(C)(C)C)sc2C(=O)[O-])C(C(C)C(=O)NC2CCOCC2)C1
AtomNum,"The molecule contains 19 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",Cc1cc(C)c2cc(C(=O)N3CCC4(CC3)CC4C(=O)[O-])[nH]c2c1
BondNum,"The molecule consists of 17 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",COc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NC1CCCCCC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",COc1ccccc1-c1cc(C(=O)NCCc2c(C)nn(-c3ccccn3)c2C)[nH]n1
AddComponent,Modify the molecule COc1ccc(N2CCN(C(=O)CSc3nccn3-c3cccc(Cl)c3C)CC2)cc1 by adding a benzene ring.,COc1ccc(N2CCN(C(=O)C(Sc3nccn3-c3cccc(Cl)c3C)c3ccccc3)CC2)cc1
SubComponent,Please substitute a halo in the molecule CC(C)c1ccc(C(C)NC(=S)NCc2ccc(F)cc2)cc1 with a nitro.,CC(C)c1ccc(C(C)NC(=S)NCc2ccc(NO)cc2)cc1
DelComponent,Please remove a O=C(NC1CCOCC1)C1CCCN1c1ccc(Cl)cc1 from the molecule benzene ring.,O=C(NC1CCOCC1)C1CCCN1Cl
LogP,Modify the molecule COc1ccccc1CCNC(=O)Cc1csc2[nH+]c(-c3ccccc3)cn12 to decrease its LogP value.,COc1ccc(N)cc1CCNC(=O)Cc1csc2[nH+]c(-c3ccccc3)cn12
MR,Modify the molecule COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c1C to have a lower MR value.,COCCOC(=O)c1c(C)[nH]-c1(C)-c1cccc(C(=O)N2CCCC2)c1C
QED,Modify the molecule CC(C)N(Cc1ccccn1)C(=O)CCn1cnc2ccccc2c1=O to increase its QED value.,CC(C)C(Cn1cnc2ccccc2c1=O)c1ccccn1
AtomNum,"Please generate a molecule composed of 25 carbon atoms, and 2 oxygen atoms.",CCC(C)(C)C(=O)OC1CCC2CCC3C4CCCC4(C)CCC3C2(C)C1
BondNum,"The molecule has 7 single bonds, 2 double bonds, 6 rotatable bonds, and 29 aromatic bonds.",Cc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)c2ccc(-c3ccccc3)cc2)cc1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, and 3 halo groups.",O=C(Nc1ccc(Cl)cc1)N(CCC[NH+]1CCC(Cc2ccccc2)CC1)Cc1c(F)cccc1F
AddComponent,Please add a hydroxyl to the molecule CCOCCCNC(=O)c1cc(NC(=O)COC)ccc1N1CCCC1.,COCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOCCO)c1
SubComponent,Please substitute a nitrile in the molecule CCC(C)Nc1ccc(C#N)cc1N with a hydroxyl.,CCC(C)Nc1ccc(O)cc1N
DelComponent,Remove a CC(=CC(=O)[O-])C[NH2+]CCNS(C)(=O)=O from the molecule amine.,CC(=CC(=O)[O-])C[NH2+]CCS(C)(=O)=O
LogP,Modify the molecule CCCCC[NH2+]C(C)C(=O)c1ccc(CC)cc1 to decrease its LogP value.,CCCC(C[NH2+]C(C)C(=O)c1ccc(CC)cc1)C(=O)O
MR,Please modify the molecule O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCCC1 to decrease its MR value.,O=C(c1ccc(-c2ccccc2)o1)N1CCCC1
QED,Modify the molecule Cc1cc(C)cc(NC(=O)c2ccc(O)cc2O)c1 to have a higher QED value.,Cc1cc(C)cc(NC(=O)c2ccccc2O)c1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCC(CC)[NH+](CCO)CCC([NH2+]C)c1ccccc1
BondNum,"The molecule consists of 13 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",COc1ccc(N(C)C(=O)N2CSCC2C(=O)[O-])cc1
FunctionalGroup,Please generate a molecule composed of and 15 benzene ring groups.,c1ccc(COc2cc(COc3cc(COc4cc(COc5cc6ccc5CCc5ccc(cc5)CC6)cc(OCc5cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
AddComponent,Please add a benzene ring to the molecule CCOC(CC[NH+](CCOC)CC(C)C)OCC.,CCOC(CC[NH+](CCOC)CC(C)C)OC(C)c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule CC1(C)OCCC1(O)c1ccc[nH]1 with a halo.,CC1(C)OCCC1(I)c1ccc[nH]1
DelComponent,Please remove a amine from the molecule CN(C)c1ccc(Nc2ncc(I)cn2)cc1.,CN(C)c1ccc(-c2ncc(I)cn2)cc1
LogP,Please modify the molecule Cc1cccc(Oc2c(C(F)(F)F)oc3c(C[NH+]4CCN(Cc5ccccc5)CC4)c(=O)ccc-3c2O)c1 to increase its LogP value.,Cc1cccc(Oc2c(C(F)(F)F)oc3c(C[NH+]4CCN(Cc5ccccc5)CC4)c(=O)ccc-3c2S)c1
MR,Please optimize the molecule CC[N+](C)(C)CCNC(=O)C(Cc1ccccc1)NC(=O)COCCOCCCS to have a lower MR value.,CC[N+](C)(C)CCNC(=O)C(C)NC(=O)COCCOCCCS
QED,Please modify the molecule BrCCOc1ccc(N=Nc2ccc(OCCBr)cc2)cc1 to increase its QED value.,CC(=O)CCOc1ccc(N=Nc2ccc(OCCBr)cc2)cc1
AtomNum,"There is a molecule consisting of 25 carbon atoms, 4 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",CS(=O)(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1
BondNum,"The molecule contains 14 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC1CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1CO
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 1 sulfone group.",CS(=O)(=O)c1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1
AddComponent,Modify the molecule CCCC(C(=O)OC)c1c(Cl)nc(N2CCCCC2)nc1-c1ccccc1 by adding a benzene ring.,CCCC(C(=O)OC)c1c(Cl)nc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1
SubComponent,Modify the molecule halo by substituting a CN(CC(=O)N1N=C(c2cccn2C)CC1c1ccc(Cl)cc1)C(=O)NC(C)(C)C with a carboxyl.,CN(CC(=O)N1N=C(c2cccn2C)CC1c1ccc(C(=O)[OH])cc1)C(=O)NC(C)(C)C
DelComponent,Remove a hydroxyl from the molecule CCn1cc[nH+]c1CC(O)C(C)S(C)(=O)=O.,CCn1cc[nH+]c1CCC(C)S(C)(=O)=O
LogP,Please optimize the molecule CC(C)(C[NH3+])n1c2c([nH]c1=O)CCCC2 to have a higher LogP value.,CC(C)(C([NH3+])c1ccccc1)n1c2c([nH]c1=O)CCCC2
MR,Please modify the molecule C[n+]1c(-c2cccc(Cl)c2)n(CC2C=CC=C2)c2ccccc21 to increase its MR value.,C[n+]1c(-c2cccc(NO)c2)n(CC2C=CC=C2)c2ccccc21
QED,Optimize the molecule O=C(Nc1ccccc1F)C1CC(=O)N(Cc2ccc3c(c2)OCO3)C(=[NH+]c2ccccc2)S1 to have a higher QED value.,O=C1C[SH](c2ccccc2F)C(=[NH+]c2ccccc2)N1Cc1ccc2c(c1)OCO2
AtomNum,"The molecule is composed of 11 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",C[NH2+]Cc1cccc(F)c1OC(C)C(N)=O
BondNum,"There is a molecule consisting of 27 single bonds, 5 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CN(C)c1ccc(-c2cc(I)c(O)c3c2CC2CC4C([NH+](C)C)C(=O)C(C(N)=O)=C([O-])C4(O)C(=O)C2=C3[O-])cc1
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, and 5 amide groups.",CCCNC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(NC(=O)c4ccc(C)cc4)c3)CC2)c(C)c1
AddComponent,Please add a hydroxyl to the molecule C[NH2+]Cc1c(S(=O)(=O)NCc2cn(C)nc2C)n[nH]c1C.,C[NH2+]Cc1c(S(=O)(=O)NCc2cn(C)nc2C)n[nH]c1CO
SubComponent,Modify the molecule hydroxyl by substituting a Cc1c(Br)cc(F)c(O)c1C1C[NH2+]CCO1 with a halo.,Cc1c(Br)cc(F)c(F)c1C1C[NH2+]CCO1
DelComponent,Remove a O=C(CC1CCCCO1)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 from the molecule amide.,c1cc(-c2ccc3c(c2)OCCO3)nc(C2CCCCO2)c1
LogP,Please modify the molecule O=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)C1 to increase its LogP value.,O=S(=O)(c1cc(-c2noc(C3CCC3)n2)cs1)N1CCCC1c1ccc(F)cc1
MR,Modify the molecule CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)C2c2ccc(N(C)C)cc2)cc1 to increase its MR value.,CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cc(OC)c(-c4ccccc4)cc3OC)C2c2ccc(N(C)C)cc2)cc1
QED,Optimize the molecule O=C(Cc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 to have a lower QED value.,O=C(Cc1ccccc1C(=O)O)NCc1ccc(C[NH+]2CCCCC2)cc1
AtomNum,"The molecule is composed of 24 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 chlorine atoms.",CC(=O)c1cc(Cl)ccc1OCC(O)CNc1ccc(Cl)cc1C(=O)c1ccccc1
BondNum,"The molecule is composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 22 aromatic bonds.",O=C(NCc1cc(-c2ccc3ccccc3c2)on1)c1c(F)cccc1F
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",OC(c1cccc(I)c1)C1CCCC1
AddComponent,Add a benzene ring to the molecule CCCCC(Cl)=C1C(=O)OC12CCCCCC2.,CCCCC(Cl)=C1C(=O)OC12CCCCCC2c1ccccc1
SubComponent,Please substitute a halo in the molecule CSc1ccc(Cl)c(C(=O)NO)c1 with a aldehyde.,CC(=O)c1ccc(SC)cc1C(=O)NO
DelComponent,Please remove a hydroxyl from the molecule OC(c1ccc(Cl)c(Br)c1)c1cc(F)c(F)cc1Cl.,Fc1cc(Cl)c(Cc2ccc(Cl)c(Br)c2)cc1F
LogP,Please optimize the molecule OC(CSc1nncs1)c1ccc(Cl)cc1Cl to have a higher LogP value.,Clc1ccc(CCSc2nncs2)c(Cl)c1
MR,Modify the molecule CC(C)(C)[NH2+]CC(Cc1cccc(Cl)c1)c1ccccc1 to decrease its MR value.,CC(C)(C)[NH2+]CC(CCl)c1ccccc1
QED,Modify the molecule COc1ccc(C([O-])=C2C(=O)C(=O)N(CC3CCCO3)C2c2ccc(Cl)c(Cl)c2)cc1 to increase its QED value.,COc1ccc(C([O-])=C2C(=O)C(=O)N(CC3CCCO3)C2c2ccc(O)c(Cl)c2)cc1
AtomNum,"The molecule is composed of 7 carbon atoms, and 2 chlorine atoms.",CC1=CCC(Cl)(Cl)C=C1
BondNum,"Please generate a molecule with 9 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCCCCSc1ncnc(NN)c1C
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 1 amide group.",CCc1ccccc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C
AddComponent,Please add a benzene ring to the molecule COC1CCC2NC(=O)C3SC=CC3C2C1c1ccc(CC[NH3+])cc1.,COC1CC(c2ccccc2)C2NC(=O)C3SC=CC3C2C1c1ccc(CC[NH3+])cc1
SubComponent,Please substitute a hydroxyl in the molecule CCC(CO)NC(=O)Cn1cc(N)ccc1=O with a nitrile.,CCC(CC#N)NC(=O)Cn1cc(N)ccc1=O
DelComponent,Remove a halo from the molecule CC(=O)OCC(=O)NC(Cc1ccccc1I)C(=O)[O-].,CC(=O)OCC(=O)NC(Cc1ccccc1)C(=O)[O-]
LogP,Modify the molecule CCCCCCC(=O)Nc1nnc(SCc2cc(F)ccc2F)s1 to have a higher LogP value.,CCCCCCC(=O)Nc1nnc(SCc2cc(S)ccc2F)s1
MR,Modify the molecule C=CC(=C)C(=C(F)C(C)C(C)CCC(O)CC1CCC1)C1CCC1C(C=C)=CCC(C)F to have a higher MR value.,C=CC(=C)C(=C(F)C(C)C(C)CCC(S)CC1CCC1)C1CCC1C(C=C)=CCC(C)F
QED,Please modify the molecule SCCOCCSc1ccc2nc3cc(SCCOCCS)ccc3nc2c1 to increase its QED value.,CCOCCSc1ccc2nc3cc(SCCOCCS)ccc3nc2c1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",CCNC(=[NH+]Cc1ccc(OC)c(OC)c1OC)N1CCC(OCCCOC)CC1
BondNum,"The molecule consists of 14 single bonds, 2 double bonds, 9 rotatable bonds, and 5 aromatic bonds.",COCCCN(CC(=O)Nc1cc(C)on1)C(=O)COC
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 3 halo groups, and 1 sulfone group.",O=C(CC[NH+]1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1cc(Cl)ccc1Cl
AddComponent,Add a carboxyl to the molecule CCCCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2COc2cccc(C(F)(F)F)c2)cc1.,CCCCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2COc2cc(C(F)(F)F)ccc2C(=O)O)cc1
SubComponent,Substitute a halo in the molecule CCOC(=O)c1cc(C)n(CC(=O)OCC(=O)c2ccc(OC)c(F)c2)c1C with a aldehyde.,CC(=O)c1cc(C(=O)COC(=O)Cn2c(C)cc(C(=O)OCC)c2C)ccc1OC
DelComponent,Modify the molecule halo by removing a Cc1cccc(OCCNC(=O)CCc2ccc(Cl)cc2)c1.,Cc1cccc(OCCNC(=O)CCc2ccccc2)c1
LogP,Please modify the molecule CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)C2c2ccc(O)c(OC)c2)cc1OC to decrease its LogP value.,CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(F)(F)NO)c3)C2c2ccc(O)c(OC)c2)cc1OC
MR,Optimize the molecule COCCOc1ccccc1S(=O)(=O)Cl to have a lower MR value.,COCCOc1ccccc1S(=O)(=O)C#N
QED,Modify the molecule O=C(Nc1cccc(C(F)(F)F)c1)OCCCc1cnc[nH]1 to have a lower QED value.,O=C(Nc1ccc(S)c(C(F)(F)F)c1)OCCCc1cnc[nH]1
AtomNum,"The molecule has 14 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1n[nH]c(C)c1CCCN(C)C(=O)C1CCC1
BondNum,"Please generate a molecule with 9 single bonds, 1 double bond, 1 rotatable bond, and 11 aromatic bonds.",Cc1cc2c(n1-c1ccc(Cl)cc1Cl)CCCC2=O
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 sulfide group.",CC(=NOCc1ccccc1)c1ccc(C(=O)[O-])s1
AddComponent,Please add a carboxyl to the molecule CC[NH2+]CC1CCCN1c1ncc(F)cc1F.,O=C(O)CC[NH2+]CC1CCCN1c1ncc(F)cc1F
SubComponent,Modify the molecule nitrile by substituting a CC(C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 with a nitro.,CC(C)C(=O)CNS(=O)(=O)c1cccc(NO)c1
DelComponent,Remove a CCOC(=O)C(Cc1ccccc1)NP(=O)(Nc1ccccc1)OCC from the molecule amine.,CCOC(=O)C(Cc1ccccc1)P(=O)(Nc1ccccc1)OCC
LogP,Please modify the molecule O=C(Nc1nc(C2CC2)cs1)c1ccn(-c2ccccc2)n1 to increase its LogP value.,O=C(Nc1nc(C2CC2)cs1)c1ccn(-c2cccc(-c3ccccc3)c2)n1
MR,Modify the molecule CC[NH2+]C1COCC1C(=O)NC(C)CCC(C)C to decrease its MR value.,CC[NH2+]C1COCC1(C)CCC(C)C
QED,Please optimize the molecule CCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)C(C)NC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)CC1 to have a lower QED value.,CCC(C)NC(=O)c1ccc(O)cc1NC(=O)C(C)NC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)CC1
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCc1ccccc1NC(=O)Cc1cc(=O)nc(SCc2ccc(C#N)cc2)[nH]1
BondNum,"The molecule has 13 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]C(CC(C)CC(C)(C)C)c1ccccc1F
FunctionalGroup,"Please generate a molecule composed of 1 ester group, 1 amide group, 1 nitro group, and 2 sulfide groups.",CC(NC(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccs1
AddComponent,Modify the molecule O=C(Nc1ccc2nc(CCCO)[nH]c2c1)c1ccccc1F by adding a amine.,NC(CCO)c1nc2ccc(NC(=O)c3ccccc3F)cc2[nH]1
SubComponent,Please substitute a hydroxyl in the molecule CNc1nc(N2CCCC([NH3+])C2)n(Cc2ccccc2)c1C(=O)NCC(=O)Nc1ncccc1O with a nitro.,CNc1nc(N2CCCC([NH3+])C2)n(Cc2ccccc2)c1C(=O)NCC(=O)Nc1ncccc1NO
DelComponent,Modify the molecule amine by removing a Cc1ccc(NC(=O)Nc2nnc(CCSCCc3nnc(Nc4ccc([N+](=O)[O-])cc4)s3)s2)cc1.,Cc1ccc(NC(=O)Nc2nnc(CCSCCc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1
LogP,Modify the molecule CCCCCCCCCCCCCCCCCCCC1OC(CO)C(O)C1O to have a higher LogP value.,CCCCCCCCCCCCCCCCCCCC1OC(CO)CC1O
MR,Please optimize the molecule CC1CN(c2ccc(Cl)cc2)CC(C)(C)OC(=O)O1 to have a lower MR value.,CC1CN(Cl)CC(C)(C)OC(=O)O1
QED,Please optimize the molecule CN(Cc1ccc(S(C)(=N)=O)cc1)C(=O)OC(C)(C)C to have a lower QED value.,CN(CS(C)(=N)=O)C(=O)OC(C)(C)C
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(C)cc1C=CC(=O)N1CC[NH+](CC(=O)NC2CC2)CC1
BondNum,"Please generate a molecule with 16 single bonds, 4 double bonds, 5 rotatable bonds, and 10 aromatic bonds.",CCN(CCC=C=O)C(=O)C1C=C2c3cccc4[nH]cc(c34)CC2[NH+](C)C1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ester group, 1 amine group, and 5 halo groups.",CCOC(=O)C(NCC(F)(F)F)c1cc(Cl)ccc1Br
AddComponent,Please add a benzene ring to the molecule CCc1nc(-c2cc(F)cc(Br)c2)sc1C[NH2+]C(C)C.,CCc1nc(-c2cc(F)cc(Br)c2)sc1C[NH2+]C(C)Cc1ccccc1
SubComponent,Substitute a halo in the molecule COc1c(Cl)cc(Cl)cc1C([O-])=C1C(=O)C(=O)N(CCOC(C)C)C1c1ccccn1 with a nitro.,COc1c(NO)cc(Cl)cc1C([O-])=C1C(=O)C(=O)N(CCOC(C)C)C1c1ccccn1
DelComponent,Please remove a Cc1ccccc1S(=O)(=O)N(C)CC1(CO)CCC1 from the molecule benzene ring.,CN(CC1(CO)CCC1)S(C)(=O)=O
LogP,Optimize the molecule CCOC(=O)N1CCC(NC(N)=[NH+]Cc2c(C)cc(C)cc2C)CC1 to have a lower LogP value.,CCOC(=O)N1CCC(NC(N)=[NH+]C(C)CC)CC1
MR,Please optimize the molecule CCOc1ccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)C2c2c(C)[nH]c3ccccc23)cc1OCC to have a higher MR value.,CCOc1cc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)C2c2c(C)[nH]c3ccccc23)c(-c2ccccc2)cc1OCC
QED,Modify the molecule O=Cc1cnc(-c2ccc(Cl)cc2)nc1Cl to have a lower QED value.,O=Cc1cnc(Cl)nc1Cl
AtomNum,"The molecule contains 13 carbon atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC[NH+]1CCC(C[NH2+]C(C)c2nccs2)CC1
BondNum,"Please generate a molecule with 12 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",CCCc1c(N)ncnc1NCCC(O)COC
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 5 amide groups, and 1 halo group.",COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)NC(=O)C3CC[NH+](CC(=O)Nc4ccc(Cl)c(C(=O)N5CCCC5)c4)CC3)cc2C)cc1
AddComponent,Modify the molecule O=S(=O)(c1ccccn1)c1cc(OC(F)(F)F)ccc1S(=O)(=O)N1CCC2(CC1)CC2NCC(F)(F)F by adding a hydroxyl.,O=S(=O)(c1ccccn1)c1cc(OC(F)(F)F)c(O)cc1S(=O)(=O)N1CCC2(CC1)CC2NCC(F)(F)F
SubComponent,Please substitute a halo in the molecule COCOc1ccc(C=CC(=O)NCc2ccc(Cl)cc2)cc1 with a nitro.,COCOc1ccc(C=CC(=O)NCc2ccc(NO)cc2)cc1
DelComponent,Remove a benzene ring from the molecule CCCOc1ccccc1C=CC(=O)N1CCC(NS(=O)(=O)c2cc(C)c(C)cc2OC)CC1.,CCCOC=CC(=O)N1CCC(NS(=O)(=O)c2cc(C)c(C)cc2OC)CC1
LogP,Please optimize the molecule CC(C)OC(=O)Cn1cc(CCCO)c2c(F)cccc21 to have a lower LogP value.,CC(C)OC(=O)Cn1cc(CCCNO)c2c(F)cccc21
MR,Please optimize the molecule C=CC(=O)OC(CO)OC(=O)C=C to have a higher MR value.,C=CC(=O)OC(CC(=O)[OH])OC(=O)C=C
QED,Please modify the molecule CC(=O)C(Cc1ccccc1)NC(=O)COC(=O)c1cccc(C#N)c1 to increase its QED value.,CC(=O)C(C)NC(=O)COC(=O)c1cccc(C#N)c1
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 fluorine atoms.",COc1cc2ncnc(Nc3ccc(F)c(F)c3)c2cc1OCCC[NH+]1CCOCC1
BondNum,"The molecule consists of 8 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CNC(=O)c1ccc(Nc2ccc(OC)cc2)c(N)c1
FunctionalGroup,The molecule contains and 2 amide groups.,Cn1cccc1C(=O)NCCNC(=O)CCC1CCCCC1
AddComponent,Modify the molecule COc1ccc(NC(=O)C[NH2+]CCc2ccnn2C)cc1 by adding a hydroxyl.,COc1ccc(NC(=O)C[NH2+]CCc2c(O)cnn2C)cc1
SubComponent,Modify the molecule O=S(=O)(c1cnc2[nH]cccc1-2)N1CCC(O)C12CCCC2 by substituting a hydroxyl with a nitrile.,N#CC1CCN(S(=O)(=O)c2cnc3[nH]cccc2-3)C12CCCC2
DelComponent,Modify the molecule CCOC(=O)c1cnn2c1NC(c1ccc(C)cc1C)CC2(C)C by removing a benzene ring.,CCOC(=O)c1cnn2c1NC(CC)CC2(C)C
LogP,Optimize the molecule CC1(NCCS(C)(=O)=O)CC1 to have a lower LogP value.,CC1(NCCS(C)(=O)=O)CC1N
MR,Optimize the molecule Cc1sc2ncn(CC(=O)NC(=O)Nc3ccccc3F)c(=O)c2c1-c1ccccc1 to have a higher MR value.,Cc1sc2nc(O)n(CC(=O)NC(=O)Nc3ccccc3F)c(=O)c2c1-c1ccccc1
QED,Please optimize the molecule CC(=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1)c1ccccc1 to have a higher QED value.,CC=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1
AtomNum,"Please generate a molecule with 12 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ncc(C[NH2+]C(C)C2CCCC2)s1
BondNum,"There is a molecule composed of 9 single bonds, 3 rotatable bonds, and 5 aromatic bonds.",Cc1ncc(C[NH2+]C2CCC2C)o1
FunctionalGroup,"There is a molecule with 1 ketone group, 3 amide groups, 2 amine groups, and 1 sulfoxide group.",C=CC1CC1(NC(=O)C1CC(Oc2nc3cc(OC)ccc3c(=O)n2CCCCCC2CCCC2=O)CN1C(=O)C(NN)C1CCCC1)C(=O)NS(=O)C1(C)CC1
AddComponent,Add a hydroxyl to the molecule C=CCC([NH2+]C)C1CCCC(C(F)(F)F)C1.,C=C(O)CC([NH2+]C)C1CCCC(C(F)(F)F)C1
SubComponent,Modify the molecule hydroxyl by substituting a [NH3+]Cc1cc(O)c2c(Br)cccc2c1 with a nitrile.,N#Cc1cc(C[NH3+])cc2cccc(Br)c12
DelComponent,Modify the molecule COc1cc2ncn(CCCC(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c(=O)c2cc1OC by removing a benzene ring.,COc1cc2ncn(CCCC(=O)N3CCN(C(=O)Cl)CC3)c(=O)c2cc1OC
LogP,Modify the molecule CC([NH2+]C1CCOC1)C(N)=O to increase its LogP value.,C[NH2+]C1CCOC1
MR,Modify the molecule CCNC(=O)Oc1cccc(C(c2ccc(C(=O)N(CC)CC)cc2)[NH+]2CCN(CC)CC2)c1 to have a lower MR value.,CCNC(=O)OC(c1ccc(C(=O)N(CC)CC)cc1)[NH+]1CCN(CC)CC1
QED,Modify the molecule CCC(O)CC#Cc1ccc(C2(C(F)(F)F)N=N2)cc1 to have a lower QED value.,CCCCC#Cc1ccc(C2(C(F)(F)F)N=N2)cc1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",COCC[NH2+]CCNC(=O)c1cc(C)n(-c2cc(C)on2)c1C
BondNum,"The molecule is composed of 12 single bonds, 2 double bonds, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",NC(=O)C1CCCN1C(=O)c1cncc(C#CCO)c1
FunctionalGroup,There is a molecule composed of and 2 benzene ring groups.,CCOc1ccccc1CC(Oc1ccccc1C(C)(C)C)C(=O)[O-]
AddComponent,Add a benzene ring to the molecule CC(C)(C)c1cnc(CC2CCCC[NH2+]2)nc1.,CC(C)(C)c1cnc(CC2CCCC[NH2+]2)nc1-c1ccccc1
SubComponent,Substitute a C[NH2+]CCCc1[nH]c(-c2cc(Br)ccc2C)c[nH+]1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(C)c(-c2c[nH+]c(CCC[NH2+]C)[nH]2)c1
DelComponent,Remove a hydroxyl from the molecule CC1C([Si](C)(C)F)C(CC(=O)N(CCO)Cc2ccccc2)OC12C(=O)N(Cc1ccc(NC(=O)C3OC(O)C(O)C(O)C3O)cc1)c1ccc([N+](=O)[O-])cc12.,CC1C([Si](C)(C)F)C(CC(=O)N(CCO)Cc2ccccc2)OC12C(=O)N(Cc1ccc(NC(=O)C3OCC(O)C(O)C3O)cc1)c1ccc([N+](=O)[O-])cc12
LogP,Please optimize the molecule c1ccc2c(C3CCNc4nnnn43)cccc2c1 to have a higher LogP value.,c1ccc2c(C3CCc4nnnn43)cccc2c1
MR,Optimize the molecule Cc1cc(C)c(OCC(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c(Br)c1 to have a higher MR value.,Cc1cc(C)c(OCC(=O)Nc2ccc3oc(-c4ccc(C(=O)[OH])cc4Cl)nc3c2)c(Br)c1
QED,Optimize the molecule CCCCCn1cc(C(=O)NC(C(N)=O)C(C)(C)C)c2cc(NC(=O)C([NH2+]C3OC3c3cn(CCCCC)c4ccccc34)C(C)C)ccc21 to have a higher QED value.,CCCCCn1cc(C(=O)NC(C)(C)C)c2cc(NC(=O)C([NH2+]C3OC3c3cn(CCCCC)c4ccccc34)C(C)C)ccc21
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",O=C(CCCOc1ccc(F)cc1)Nc1n[nH]c(-c2ccccc2Cl)n1
BondNum,"Please generate a molecule with 11 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC([NH3+])C1(CCO)CCc2ccccc2C1
FunctionalGroup,"The molecule contains 1 ketone group, 1 amide group, and 3 halo groups.",CCC(CC)NC(=O)C(C)n1cc(C(=O)C(F)(F)F)nn1
AddComponent,Add a amine to the molecule [C-]#[N+]c1ccc(N(C2=[NH+]C3=[NH+]C(N(c4ccccc4)c4ccc(C#N)cc4)=[NH+]C4=[NH+]C(N(c5ccccc5)c5ccc(C#N)cc5)=[NH+]C(=[NH+]2)N43)c2ccccc2)cc1.,[C-]#[N+]c1ccc(N(C2=[NH+]C3=[NH+]C(N(c4ccccc4)c4ccc(C#N)cc4)=[NH+]C4=[NH+]C(N(c5ccccc5)c5ccc(C#N)cc5)=[NH+]C(=[NH+]2)N43)c2ccccc2)c(N)c1
SubComponent,Modify the molecule halo by substituting a O=C(NN=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1OCc1ccc(Cl)cc1Cl with a thiol.,O=C(NN=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1OCc1ccc(S)cc1Cl
DelComponent,Modify the molecule halo by removing a O=c1nc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nc2[nH][nH]cc1-2.,O=c1nc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc2[nH][nH]cc1-2
LogP,Please modify the molecule CC(Cl)(C(=O)[O-])C(C)(Cl)C(=O)[O-] to decrease its LogP value.,CC(S)(C(=O)[O-])C(C)(Cl)C(=O)[O-]
MR,Please modify the molecule CC(C)(C)Cc1nnc2cccc(C[NH3+])n12 to increase its MR value.,CC(C)(CN)Cc1nnc2cccc(C[NH3+])n12
QED,Optimize the molecule COc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1N to have a lower QED value.,COc1ccccc1-c1nnc(SC(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1N
AtomNum,"The molecule contains 16 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COC(=O)C1CCCC[NH+]1CC(=O)Nc1cccc(C)c1
BondNum,"There is a molecule composed of 9 single bonds, 3 rotatable bonds, and 17 aromatic bonds.",COc1ccc2c(NC3CCCc4ccccc43)ncnc2n1
FunctionalGroup,The molecule contains and 1 sulfide group.,CC(C)(C)OC(=O)NC(Cc1cn(C(=O)OC(C)(C)C)c(SC(=O)OC(C)(C)C)[nH+]1)C(=O)[O-]
AddComponent,Add a benzene ring to the molecule CCOC(=O)C(=O)c1cc(C(C)(C)C)c(O)cc1C.,CCOC(=O)C(=O)c1cc(C(C)(C)C)c(O)c(-c2ccccc2)c1C
SubComponent,Please substitute a halo in the molecule CCCN1C(=O)C(=O)N(Cc2cccc(Cl)c2)C1=O with a nitro.,CCCN1C(=O)C(=O)N(Cc2cccc(NO)c2)C1=O
DelComponent,Modify the molecule COC(=O)c1ccc(N)c(N2CCCC2C(N)=O)n1 by removing a amine.,COC(=O)c1cccc(N2CCCC2C(N)=O)n1
LogP,Optimize the molecule COc1ccc(-c2ncc(C(=O)NCC3CCCC3O)s2)cc1 to have a higher LogP value.,COc1ccc(-c2ncc(C(=O)NCC3CCCC3O)s2)cc1-c1ccccc1
MR,Please modify the molecule CC=C(C)c1ccnc(-c2nc3nc(C(=O)[O-])nc(NC(C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1 to increase its MR value.,CC=C(C)c1ccnc(-c2nc3nc(C(=O)[O-])nc(NC(C)C4CCC4)c3n2Cc2ccc(C(O)(F)F)cc2)c1
QED,Optimize the molecule O=C(c1ccc(F)cc1)c1ccc(I)c(Cl)c1 to have a higher QED value.,O=C(c1ccccc1)c1ccc(I)c(Cl)c1
AtomNum,"Please generate a molecule composed of 7 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CSc1c(Cl)nc(Cl)nc1CC(=O)[O-]
BondNum,"The molecule consists of 28 single bonds, 6 double bonds, 11 rotatable bonds, and 16 aromatic bonds.",CCCC(NC(=O)C1CC2(CC(c3cccc(Cl)c3)=NO2)CN1C(=O)CCn1c(=O)oc2ccccc21)C(=O)C(=O)NC1CC1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, and 1 sulfide group.",CCONCCCc1ccc(OCc2cc(-c3cccs3)oc2C)cc1
AddComponent,Modify the molecule Cc1c(Cl)cncc1OCc1ccccc1 by adding a benzene ring.,Cc1c(Cl)cncc1OC(c1ccccc1)c1ccccc1
SubComponent,Please substitute a N#Cc1nc(-c2ccc(Oc3ccccc3)cc2)[nH]c1C(N)=O in the molecule nitrile with a carboxyl.,NC(=O)c1[nH]c(-c2ccc(Oc3ccccc3)cc2)nc1C(=O)[OH]
DelComponent,Remove a hydroxyl from the molecule C=C(CNC(=O)c1ccnc(C)c1)[NH+]1CCN(c2ccc(O)cc2)CC1.,C=C(CNC(=O)c1ccnc(C)c1)[NH+]1CCN(c2ccccc2)CC1
LogP,Modify the molecule COc1ccc(C=C(CC(=O)[O-])C(C)=O)cc1OC to have a lower LogP value.,COC(OC)=C(CC(=O)[O-])C(C)=O
MR,Modify the molecule CCN(C(=O)c1ccc(C)cc1F)c1ccccc1N to decrease its MR value.,CCN(C(=O)c1ccc(C)cc1F)c1ccccc1
QED,Please modify the molecule c1ccc(-c2n[nH]c3ccc(-c4nncc(N5CC[NH2+]CC5)n4)cc23)cc1 to increase its QED value.,c1cc2[nH]ncc2cc1-c1nncc(N2CC[NH2+]CC2)n1
AtomNum,"The molecule is composed of 21 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",O=C(NC1Cc2ccccc2C1C[NH+]1CCSCC1)c1cc2cc(Cl)sc2[nH]1
BondNum,"The molecule contains 10 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",Cc1cccc(C(=O)NC2CCCc3c2cnn3C)n1
FunctionalGroup,"Please generate a molecule with 1 halo group, and 1 sulfide group.",Cc1cc(C)c(C(=O)[O-])c(Sc2cncc(Cl)n2)n1
AddComponent,Modify the molecule CSc1cccc(N2CC=C(C)CC2)c1C[NH3+] by adding a amine.,CSc1c(N)ccc(N2CC=C(C)CC2)c1C[NH3+]
SubComponent,Modify the molecule halo by substituting a COCc1c(C(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2Cl)n1CC1CCCO1 with a aldehyde.,CC(=O)C(F)(F)c1ccc(Cl)c(-c2cc(C(=O)NC3CCCCC3)c(COC)n2CC2CCCO2)c1
DelComponent,Remove a CCc1nsc(NCCS(=O)(=O)N(C)C)n1 from the molecule amine.,CCc1nsc(CCS(=O)(=O)N(C)C)n1
LogP,Modify the molecule CC1CCOC1C(=O)c1ccc2c(c1)C(=O)NCC2 to increase its LogP value.,CC1CCOC1C(=O)c1c-c2(cc1)CC2
MR,Modify the molecule COc1ccc(N(C)C(=O)c2ccc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cn3)cc2)cc1 to increase its MR value.,COc1ccc(N(C)C(=O)c2ccc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cn3)c(-c3ccccc3)c2)cc1
QED,Modify the molecule COCc1nc(N)cc(N(C)CC(=O)NCC(C)C)n1 to increase its QED value.,COCc1nccc(N(C)CC(=O)NCC(C)C)n1
AtomNum,"The molecule contains 19 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCCc1cccc(Cl)c1
BondNum,"The molecule has 12 single bonds, 3 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",O=C(NC(CO)C(=O)NCc1ccc(Cl)cc1)c1cccc(C(=O)c2ccccc2)c1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 2 amide groups, 1 amine group, 2 halo groups, and 1 sulfide group.",COc1cc(C=C2SC(=[NH+]c3ccc(Br)c(Cl)c3)N(C)C2=O)ccc1OCC(=O)N1CCOCC1
AddComponent,Modify the molecule C=C(C=C(C)c1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C by adding a hydroxyl.,C=C(C=C(C)c1ccc(OC)c(O)c1)O[Si](C)(C)C(C)(C)C
SubComponent,Substitute a hydroxyl in the molecule CC(O)CN(C)S(=O)(=O)c1ccc(N)cc1Cl with a aldehyde.,CC(=O)C(C)CN(C)S(=O)(=O)c1ccc(N)cc1Cl
DelComponent,Please remove a benzene ring from the molecule CCc1ccc(OCC(=O)N2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)cc1.,CCOCC(=O)N1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1
LogP,Please modify the molecule O=C(NC1CCCN(C(=O)NCCc2ccc(F)cc2)C1)c1ccncc1 to decrease its LogP value.,O=C(NC1CCCN(C(=O)NCCc2ccc(O)cc2)C1)c1ccncc1
MR,Please optimize the molecule CC(CCc1cc(OC(=O)C(O)(c2ccccc2)C2CCCC2)ccn1)[NH+]1CCCCC1 to have a higher MR value.,CC(CCc1cc(OC(=O)C(NO)(c2ccccc2)C2CCCC2)ccn1)[NH+]1CCCCC1
QED,Modify the molecule CCC([NH3+])CC(=O)NC1CCCCC1SC to decrease its QED value.,CCC([NH3+])CC(=O)NC1(O)CCCCC1SC
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCC1CN(C(=O)Nc2cc(C)ccc2OC)c2cc(C)ccc2O1
BondNum,"There is a molecule consisting of 6 single bonds, 2 double bonds, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",COC(=O)c1cc(C#N)cc(C(C)=O)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, 4 halo groups, and 1 sulfide group.",OC(c1ccc(F)cc1F)(C(F)F)C(c1ccccn1)c1cncs1
AddComponent,Modify the molecule O=C1C(=O)N(Cc2ccncc2)C(c2ccccc2)C1=C([O-])c1ccc(Cl)c(Cl)c1 by adding a benzene ring.,O=C1C(=O)N(Cc2ccncc2)C(c2ccccc2)(c2ccccc2)C1=C([O-])c1ccc(Cl)c(Cl)c1
SubComponent,Substitute a halo in the molecule CCc1ncnc(NCC2CCCOC2)c1F with a nitrile.,CCc1ncnc(NCC2CCCOC2)c1C#N
DelComponent,Please remove a benzene ring from the molecule CCC(CCO)NC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F.,CCC(CCO)NC(=O)NN(C(=O)c1ccccc1)C(F)(F)F
LogP,Modify the molecule CCCCCC(CCCCC)Nc1cccnc1 to have a higher LogP value.,CCCCCC(CCCCC)c1cccnc1
MR,Modify the molecule CC(C)[NH2+]CCCS(=O)(=O)Nc1c(Br)cccc1Br to decrease its MR value.,CC(C)[NH2+]CCCS(=O)(=O)Nc1c(Br)cccc1C#N
QED,Modify the molecule Nc1nc(Cl)c(N)c(N2CCCC2)n1 to decrease its QED value.,Nc1nc(C(=O)[OH])c(N)c(N2CCCC2)n1
AtomNum,"There is a molecule composed of 14 carbon atoms, 3 nitrogen atoms, and 2 fluorine atoms.",CCC(CC)c1[nH]nc(N)c1-c1ccc(F)cc1F
BondNum,"There is a molecule composed of 8 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",COc1ccc(F)cc1Cc1c(C(=O)[O-])n[nH]c1C
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CCCN(CCO)C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1
AddComponent,Please add a carboxyl to the molecule O=C([O-])c1cccc2c(-c3cnc4ccccc4c3)n[nH]c12.,O=C(O)c1ccc2cc(-c3n[nH]c4c(C(=O)[O-])cccc34)cnc2c1
SubComponent,Modify the molecule COc1ccc(Cl)cc1C[NH2+]CCCC(C)CCl by substituting a halo with a thiol.,COc1ccc(S)cc1C[NH2+]CCCC(C)CCl
DelComponent,Remove a hydroxyl from the molecule Cc1nc(CC2(O)CCC2(C)C)cs1.,Cc1nc(CC2CCC2(C)C)cs1
LogP,Modify the molecule Cn1cc(CC2CCCCC2=O)c2cccc(F)c21 to have a lower LogP value.,Cn1cc(CC2CCCCC2=O)c2cccc(C#N)c21
MR,Please optimize the molecule CCCCCCCCC([NH2+]CC)C(OCC)OCC to have a higher MR value.,CCCCCCCCC([NH2+]C(C)O)C(OCC)OCC
QED,Please modify the molecule CC1(C(=O)Nc2cccc(CCl)c2)CCCO1 to decrease its QED value.,CC1(C(=O)NCCl)CCCO1
AtomNum,"The molecule consists of 13 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC1COC(CO)C[NH+]1CC(=O)NNC(=O)c1cccs1
BondNum,"Please generate a molecule with 16 single bonds, and 8 rotatable bonds.",CCCC(CCO)CCC[NH+]1CCOCC1
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,COc1cccc(C2OC2CCC2CCCCC2)c1
AddComponent,Modify the molecule C[NH2+]CC1CCCN(S(=O)(=O)NC(C)C[NH+](C)C)C1 by adding a benzene ring.,C[NH2+]CC1CN(S(=O)(=O)NC(C)C[NH+](C)C)CCC1c1ccccc1
SubComponent,Substitute a halo in the molecule CC(C)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 with a thiol.,CC(C)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(S)cc3)C2)cc1
DelComponent,Please remove a halo from the molecule COC(=O)C1C(O)CCC2CN(C#N)C(c3[nH]c4ccccc4c3CCBr)CC21.,CCc1c(C2CC3C(CCC(O)C3C(=O)OC)CN2C#N)[nH]c2ccccc12
LogP,Optimize the molecule CCC1CN(c2cc(Cl)ccc2OC)C(CC)C[NH2+]1 to have a lower LogP value.,CCC1CN(c2cc(S)ccc2OC)C(CC)C[NH2+]1
MR,Modify the molecule CSc1cc2ccsc2c(Br)c1Cl to have a lower MR value.,CSc1cc2ccsc2c(NO)c1Cl
QED,Modify the molecule O=C([O-])CCCCn1cc(-c2ccc(O)c(N3CC(=O)NS3=O)c2)cn1 to have a lower QED value.,O=C([O-])CCCC(c1ccccc1)n1cc(-c2ccc(O)c(N3CC(=O)NS3=O)c2)cn1
AtomNum,"The molecule is composed of 10 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 sulfur atoms.",CC(=O)C(S)NC(=S)Nc1ccccc1
BondNum,"Please generate a molecule consisting 12 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",CCOCC(C)OCC([NH3+])(CO)c1ccccc1
FunctionalGroup,"The molecule consists of 2 amide groups, 3 halo groups, and 1 nitrile group.",CC1=C(C#N)C(NC(=O)c2ccncc2)(C(F)(F)F)C(=O)N1
AddComponent,Please add a benzene ring to the molecule COC(C(=O)OC(C1CC=CC(=O)O1)C(c1ccccc1)c1cc([O-])c2c(c1)OC(c1ccccc1)CC2=O)(c1ccccc1)C(F)(F)F.,COC(C(=O)OC(c1ccccc1)(C1CC=CC(=O)O1)C(c1ccccc1)c1cc([O-])c2c(c1)OC(c1ccccc1)CC2=O)(c1ccccc1)C(F)(F)F
SubComponent,Modify the molecule nitrile by substituting a Cc1ccc(-c2nc(Cl)ncc2C#N)cc1 with a nitro.,Cc1ccc(-c2nc(Cl)ncc2NO)cc1
DelComponent,Modify the molecule CCCC1(OCC(=O)OC)COc2cc(N)ccc2OCCOCCOc2ccc(N)cc2OC1 by removing a amine.,CCCC1(OCC(=O)OC)COc2ccccc2OCCOCCOc2ccc(N)cc2OC1
LogP,Modify the molecule Cc1cccc(N=Cc2cc(N=Nc3ccc(Cl)cc3)ccc2O)c1O to have a lower LogP value.,Cc1cccc(N=Cc2cc(N=Nc3ccc(C#N)cc3)ccc2O)c1O
MR,Please modify the molecule C=CCOc1ccccc1C=NNC(=S)NCC to decrease its MR value.,C=CCOC=NNC(=S)NCC
QED,Please modify the molecule CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4cc(OC)c(OC)c(OC)c4)no3)n2)cc1 to increase its QED value.,CCCCOc1ccc(=O)n(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)n1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",CCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1
BondNum,"The molecule has 14 single bonds, 1 double bond, 6 rotatable bonds, and 5 aromatic bonds.",CCC(CCCl)CNC(=O)c1cc2c(s1)CCSC2
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 1 ester group.",CCCCCCCCCCCCc1ccccc1OC(C)CCOC(=O)C(C)[N+](C)(C)Cc1ccccc1
AddComponent,Add a benzene ring to the molecule CN(C)c1nc(NCc2ccoc2)ncc1F.,CN(C)c1nc(NCc2cocc2-c2ccccc2)ncc1F
SubComponent,Substitute a halo in the molecule CN(CCCCCBr)c1cc[nH+]cc1Br with a aldehyde.,CC(=O)CCCCCN(C)c1cc[nH+]cc1Br
DelComponent,Please remove a benzene ring from the molecule COC(Cc1cccs1)(OC)n1cncc(NC(=O)OCc2ccccc2)c1=O.,COC(=O)Nc1cncn(C(Cc2cccs2)(OC)OC)c1=O
LogP,Optimize the molecule CC1[NH2+]CCCC1(NC(=O)OC(C)(C)C)c1ccncc1Nc1[nH+]cc2ccc(-c3ncccc3F)nn12 to have a lower LogP value.,CC1[NH2+]CCCC1(NC(=O)OC(C)(C)C)c1ccncc1Nc1[nH+]cc2ccc(-c3ccccn3)nn12
MR,Modify the molecule O=C(CCCOc1cccc(Br)c1)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 to have a lower MR value.,O=C(CCCOc1cccc(C(=O)[OH])c1)NCc1cccc(S(=O)(=O)N2CCCCC2)c1
QED,Modify the molecule CCOC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4ccc(OC)cc4)ccc3n(C)c2=O)cc1F to decrease its QED value.,CCOC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4ccc(OC)cc4-c4ccccc4)ccc3n(C)c2=O)cc1F
AtomNum,"There is a molecule composed of 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",Cc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)co1
BondNum,"There is a molecule consisting of 13 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C(=O)N2CCC(C)C([NH3+])C2)cc1O
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amide group.",CCOCC(=O)Nc1cc(-n2cnnn2)ccc1C
AddComponent,Please add a benzene ring to the molecule COC(OC(CO)C(O)CO)C(C)NC(C)=O.,COC(OC(CO)C(O)C(O)c1ccccc1)C(C)NC(C)=O
SubComponent,Substitute a halo in the molecule Cc1cc(-c2nnn(CC(N)=O)n2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 with a nitro.,Cc1cc(-c2nnn(CC(N)=O)n2)cc(-c2ccc(Oc3ccc(NO)cc3)cc2)n1
DelComponent,Remove a hydroxyl from the molecule CCOc1c(O)c(C(C)=O)c(OC)c2ccoc12.,CCOc1cc(C(C)=O)c(OC)c2ccoc12
LogP,Please modify the molecule CC1C[NH2+]CCC1(F)c1cnccn1 to decrease its LogP value.,CC(=O)C1(c2cnccn2)CC[NH2+]CC1C
MR,Modify the molecule CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 to increase its MR value.,CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)c(Cl)cc1O
QED,Modify the molecule CC(C)(C)C(NC(=O)N1CC(C(=O)[O-])C(C(F)(F)F)C1)c1cccc(F)c1 to have a lower QED value.,CC(C)(C)C(NC(=O)N1CC(C(=O)[O-])C(C(F)(F)S)C1)c1cccc(F)c1
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 chlorine atoms.",Cc1ccc(CNC(=O)COC(=O)C=Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1
BondNum,"There is a molecule with 13 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1cc(C=C2SC(=[NH2+])N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O
FunctionalGroup,"There is a molecule consisting of 1 thioether group, and 1 sulfide group.",CCC1(C)CN(CC2CSc3ccccc32)C(C)(C)C[NH2+]1
AddComponent,Add a thiol to the molecule CS(=O)(=O)Nc1cccc(C=C2c3ccccc3C3C(c4ccccc42)C3(Cl)Cl)c1.,CS(=O)(=O)Nc1cccc(C=C2c3ccccc3C3C(c4ccc(S)cc42)C3(Cl)Cl)c1
SubComponent,Please substitute a halo in the molecule CCCCCc1cc(OC(C)OCC)c(C2C(Br)C(=O)C3CC2C3(C)C)c(OC(C)OCC)c1 with a aldehyde.,CC(=O)C1C(=O)C2CC(C1c1c(OC(C)OCC)cc(CCCCC)cc1OC(C)OCC)C2(C)C
DelComponent,Modify the molecule amide by removing a CC[NH+]1CCN(C(=O)c2nc(C(=O)NC(C)C)n3ccccc23)CC1.,CC[NH+]1CCc23ccccn2c(C(=O)NC(C)C)nC3C1
LogP,Modify the molecule CNC(=O)Nc1ccc(C=NO)cc1 to increase its LogP value.,CC(=O)N=Cc1ccc(NC(=O)NC)cc1
MR,Optimize the molecule CCC(C)Oc1ccc(NCC(C)Oc2ccccc2OC)cc1 to have a lower MR value.,CCC(C)ONCC(C)Oc1ccccc1OC
QED,Modify the molecule COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2N)c(C)o1 to have a lower QED value.,COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccc(C(F)(F)S)cc3)c2N)c(C)o1
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 3 fluorine atoms.",CCCC(CCC)[NH+]1CC(NC(=O)CNc2nccc3ccc(C(F)(F)F)cc23)C1
BondNum,"There is a molecule composed of 11 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",CNc1nc(CC2CCOC2)nc(-c2ccccc2)c1I
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,O=C(C1CCc2nncn2C1)N1CCC(c2cccc3ccccc23)CC1
AddComponent,Modify the molecule PCc1cccc(Oc2ccccc2)c1 by adding a benzene ring.,PCc1ccc(-c2ccccc2)c(Oc2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a Cc1cc(Br)cc(C(=O)N2CCC(C)CC2C[NH3+])c1 with a carboxyl.,Cc1cc(C(=O)[OH])cc(C(=O)N2CCC(C)CC2C[NH3+])c1
DelComponent,Please remove a O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2oc1=O from the molecule benzene ring.,O=C(N[N+](=O)[O-])c1cc2cc(Br)ccc2oc1=O
LogP,Modify the molecule CCNC(NCC(C)[NH+]1CCN(CC)CC1)=[NH+]CC(=O)N(C)C to have a lower LogP value.,CCNC(NCC(C)(N)[NH+]1CCN(CC)CC1)=[NH+]CC(=O)N(C)C
MR,Optimize the molecule Cc1cccnc1NS(=O)(=O)c1ccc(I)c(C(=O)[O-])c1 to have a lower MR value.,Cc1cccnc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1
QED,Modify the molecule C[NH+](C)CCCC[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F to increase its QED value.,C[NH+](C)C(CCC[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1
AtomNum,"There is a molecule with 40 carbon atoms, 8 oxygen atoms, and 2 nitrogen atoms.",C=CCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)OC(=O)C1CCC1C(=O)OC(=O)N(CC=C)Cc1ccc(Oc2ccccc2)cc1
BondNum,"Please generate a molecule consisting 8 single bonds, 3 rotatable bonds, and 21 aromatic bonds.",Cc1csc(-c2scc(-c3nc(-c4c(F)cccc4Cl)nn3C)c2C)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",CC(C)C=Cc1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CC(C)(C)Oc1ccccc1-2
AddComponent,Modify the molecule Nc1cccc(Nc2[nH]cnc(=O)c2Cl)c1 by adding a hydroxyl.,Nc1cc(Nc2[nH]cnc(=O)c2Cl)ccc1O
SubComponent,Please substitute a hydroxyl in the molecule OCCCCCC12OC3CC(CC(C3)O1)O2 with a thiol.,SCCCCCC12OC3CC(CC(C3)O1)O2
DelComponent,Modify the molecule halo by removing a CC1(C)C(=O)C2(C(=O)Nc3ccc(I)cc3)CCC1C2.,CC1(C)C(=O)C2(C(=O)Nc3ccccc3)CCC1C2
LogP,Modify the molecule CCCCCCCCCCCCCCCCCCOc1cccc(C(=O)C(=O)OC)c1 to decrease its LogP value.,CCCCCCCCCCCCCCCCCCOC(=O)C(=O)OC
MR,Please modify the molecule COc1cc(I)cc(C#N)c1F to increase its MR value.,COc1cc(I)cc(S)c1F
QED,Optimize the molecule Nc1ncnc2c1ncn2C1(CO)CCCC1 to have a higher QED value.,CC(=O)CC1(n2cnc3c(N)ncnc32)CCCC1
AtomNum,"The molecule consists of 16 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(CN1CC(=O)Oc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 9 rotatable bonds, and 18 aromatic bonds.",COc1cc(CN(Cc2ccccc2)C(=O)C2CC2)ccc1OCc1ccccc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, 2 amine groups, and 1 halo group.",CC(C)(C)OC(=O)NC(Cc1ccc(Cl)cc1)C(N)=[NH+]O
AddComponent,Add a carboxyl to the molecule Cc1cccc(C([NH3+])c2ccc(C(F)(F)F)cc2)n1.,Cc1nc(C([NH3+])c2ccc(C(F)(F)F)cc2)ccc1C(=O)O
SubComponent,Please substitute a CNc1nc(-c2ccc(F)cc2Cl)nc2c1CCCC2 in the molecule halo with a aldehyde.,CC(=O)c1ccc(-c2nc3c(c(NC)n2)CCCC3)c(Cl)c1
DelComponent,Modify the molecule benzene ring by removing a NC(=O)Cc1ccccc1NC1CCc2cccnc21.,NC(=O)CNC1CCc2cccnc21
LogP,Please optimize the molecule COc1cc(C=C2SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 to have a lower LogP value.,COc1cc(C2SC(=O)C2c2ccccc2Br)ccc1OCc1ccc(Cl)c(Cl)c1
MR,Modify the molecule Cc1cc(C(O)CSc2ccccc2Cl)cc(C)n1 to decrease its MR value.,Cc1cc(C(O)CSc2ccccc2)cc(C)n1
QED,Please modify the molecule CC1NNC(C)C1NC(=O)c1cc(NC(=O)c2cc(-c3ccc(F)cn3)c(Cl)cc2Cl)n(-c2ccccc2)n1 to decrease its QED value.,CC1NNC(C)C1NC(=O)c1cc(NC(=O)c2cc(-c3ccc(C#N)cn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 fluorine atoms.",CC=CCCNC(=O)c1cc(F)c(F)cc1N
BondNum,"Please generate a molecule with 16 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C(CN1CC[NH2+]CC1=O)Nc1ccc2c(c1F)CC[NH2+]C2
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, 1 amine group, and 3 halo groups.",C=C(NC(C)C)C(O)(C(C)C)C(F)(F)F
AddComponent,Please add a amine to the molecule CC=C(c1ccccc1)c1cc2c(c3ccccc13)-c1ccc(C)cc1C2(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.,CC=C(c1ccccc1)c1cc2c(c3cc(N)ccc13)-c1ccc(C)cc1C2(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
SubComponent,Modify the molecule halo by substituting a Fc1ccc(C(c2cccc(C(F)(F)F)c2)N2CCC[NH2+]CC2)c(F)c1 with a nitrile.,N#Cc1ccc(C(c2cccc(C(F)(F)F)c2)N2CCC[NH2+]CC2)c(F)c1
DelComponent,Remove a benzene ring from the molecule COc1cccc(C(OC(=O)CC[NH+]2CCOCC2)C(=O)Nc2nnc(CCCCC3=CC=C(NC(=O)Cc4ccccc4)N[NH2+]3)s2)c1.,COc1cccc(C(OC(=O)CC[NH+]2CCOCC2)C(=O)Nc2nnc(CCCCC3=CC=C(NC(C)=O)N[NH2+]3)s2)c1
LogP,Modify the molecule CC[NH+](CC)CCCNC(=O)CN1C(=O)C(=Cc2cccc(Br)c2)SC2CCCCC21 to have a lower LogP value.,CC[NH+](CC)CCCNC(=O)CN1C(=O)C(=Cc2ccccc2)SC2CCCCC21
MR,Modify the molecule Cc1cccc(OCCn2cc(CBr)nn2)c1 to decrease its MR value.,Cc1cccc(OCCn2cc(CNO)nn2)c1
QED,Please optimize the molecule C[NH+](Cc1ccccc1)Cc1c([O-])c(=O)cc(CO)n1CCO to have a higher QED value.,Cc1cc(=O)c([O-])c(C[NH+](C)Cc2ccccc2)n1CCO
AtomNum,"There is a molecule composed of 17 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 fluorine atom, and 3 chlorine atoms.",Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NNc1c(F)cccc1Cl
BondNum,"There is a molecule composed of 22 single bonds, 1 double bond, and 4 rotatable bonds.",CN1CCCN(CC[NH3+])CC[NH+](CC(N)=O)CCC[NH+](C)CC1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 nitrile group, and 1 sulfide group.",CCn1c(Sc2ccc(C#N)c(C)c2)n[nH]c1=O
AddComponent,Please add a benzene ring to the molecule CCC1CN(c2ncc(C(C)=O)cc2Cl)CC[NH+]1C1CC[NH+](Cc2ccc(Cl)cc2)CC1.,CCC1CN(c2ncc(C(=O)Cc3ccccc3)cc2Cl)CC[NH+]1C1CC[NH+](Cc2ccc(Cl)cc2)CC1
SubComponent,Please substitute a halo in the molecule CCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3cc(Cl)cc(Cl)c3OC)C2c2ccc(OC(C)C)cc2)c1 with a hydroxyl.,CCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3cc(O)cc(Cl)c3OC)C2c2ccc(OC(C)C)cc2)c1
DelComponent,Please remove a Cc1ccc(-n2c(SCCN3C(=O)CCC3=O)nc3ccccc3c2=O)cc1 from the molecule benzene ring.,Cn1c(SCCN2C(=O)CCC2=O)nc2ccccc2c1=O
LogP,Please modify the molecule CCCCCCCCCCCCCC(O)CCCC(=O)NCc1ccccc1C[NH3+] to increase its LogP value.,CCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1C[NH3+]
MR,Modify the molecule Cc1ccc(C(=O)[O-])c(F)c1N1CC(C[NH2+]C(C)c2cccc3ccccc23)Oc2ccccc21 to have a higher MR value.,Cc1ccc(C(=O)[O-])cc1N1CC(C[NH2+]C(C)c2cccc3ccccc23)Oc2ccccc21
QED,Modify the molecule COCCNCC(C)[NH2+]Cc1ccc(Cl)o1 to have a higher QED value.,COCCCC(C)[NH2+]Cc1ccc(Cl)o1
AtomNum,"The molecule consists of 12 carbon atoms, 1 oxygen atom, 1 fluorine atom, and 1 chlorine atom.",C=CCCC(C)(O)c1cc(F)ccc1Cl
BondNum,"The molecule contains 11 single bonds, 3 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",COC(=O)c1ccccc1NC(=O)COC(=O)c1c(C)noc1C
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 hydroxyl group.",CCCC(CC)c1ccc(CO)cc1
AddComponent,Modify the molecule Cc1cc(C(=O)CCOC(C)C)ccc1F by adding a benzene ring.,Cc1c(F)ccc(C(=O)CCOC(C)C)c1-c1ccccc1
SubComponent,Please substitute a halo in the molecule CCn1cc(-c2cn(CC3(c4cccc(F)c4)CCOCC3)nn2)c(C)n1 with a nitrile.,CCn1cc(-c2cn(CC3(c4cccc(C#N)c4)CCOCC3)nn2)c(C)n1
DelComponent,Please remove a O=[N+]([O-])c1ccc(NC2CCSC2)nc1 from the molecule amine.,O=[N+]([O-])c1ccc(C2CCSC2)nc1
LogP,Modify the molecule COc1ccc(Cn2ccc(C)c(NC(=O)C([NH3+])Cc3ccc(C(C)(C)C(=O)OC(C)(C)C)cc3)c2=O)cc1C to decrease its LogP value.,COC(C)n1ccc(C)c(NC(=O)C([NH3+])Cc2ccc(C(C)(C)C(=O)OC(C)(C)C)cc2)c1=O
MR,Modify the molecule Cc1ccc(Br)cc1C(=O)NCC(C)[NH+]1CCCCC1 to decrease its MR value.,Cc1ccc(NO)cc1C(=O)NCC(C)[NH+]1CCCCC1
QED,Modify the molecule OC(C1CC1)C1CCC(F)(F)CC1 to have a lower QED value.,OC(C1CCC(F)CC1)C1CC1
AtomNum,"The molecule is composed of 10 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",Cc1[nH]c(-c2ccc(Br)s2)cc1CO
BondNum,"The molecule contains 10 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",O=c1ccccn1CCCCNc1c(F)c(F)[nH+]c(F)c1F
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 1 sulfide group.",COc1ccc(-c2sc3cc(OC)ccc3c2-c2cccc(OCC[NH+]3CCCCC3)c2)cc1
AddComponent,Add a benzene ring to the molecule COc1ccccc1Oc1ccccc1NC(=O)NC1CC[NH2+]CC1O.,COc1ccccc1Oc1ccccc1NC(=O)NC1CC[NH2+]CC1(O)c1ccccc1
SubComponent,Substitute a halo in the molecule NNc1nc(NCCC2CCCCC2)cc(C(F)(F)F)n1 with a nitro.,NNc1nc(NCCC2CCCCC2)cc(C(F)(F)NO)n1
DelComponent,Modify the molecule benzene ring by removing a [NH3+]C1(CCc2ccccc2)CC1c1ccc(NC(=O)c2ccncc2)cc1.,[NH3+]C1(CCc2ccccc2)CC1NC(=O)c1ccncc1
LogP,Modify the molecule NC(=[NH+]O)C1CCCN(C(=O)C2CC2c2ccccc2)C1 to have a lower LogP value.,NC(=[NH+]NO)C1CCCN(C(=O)C2CC2c2ccccc2)C1
MR,Please optimize the molecule CC[NH2+]CC(Cc1c(Br)c(C)nn1C)c1cccc(C)c1 to have a higher MR value.,CC[NH2+]CC(Cc1c(Br)c(C)nn1C)c1cccc(CCC=O)c1
QED,Optimize the molecule O=C(CCc1ccc(S(=O)(=O)Cl)cc1)NCCC1CC1 to have a lower QED value.,O=C(CCS(=O)(=O)Cl)NCCC1CC1
AtomNum,"The molecule has 16 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",Cc1nc(N2CC[NH2+]CC2)c2cnn(-c3ccc(S(=O)[O-])cc3)c2n1
BondNum,"The molecule has 11 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]C(C)(CO)CSc1ccc(Cl)c(Cl)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ester group, and 1 amide group.",CCOC(=O)C([NH3+])C(=O)N(CC)c1ccc(C)cc1
AddComponent,Please add a benzene ring to the molecule COC(=O)CNc1nc2ccc(F)cc2[nH]1.,COC(=O)C(Nc1nc2ccc(F)cc2[nH]1)c1ccccc1
SubComponent,Modify the molecule nitrile by substituting a CNS(=O)(=O)c1ccc(NCC(C)(C)[NH2+]CC(=O)N2CCCC2C#N)nc1 with a thiol.,CNS(=O)(=O)c1ccc(NCC(C)(C)[NH2+]CC(=O)N2CCCC2S)nc1
DelComponent,Remove a amine from the molecule CC(C)CCCCNc1nnc(SCC(=O)[O-])s1.,CC(C)CCCCc1nnc(SCC(=O)[O-])s1
LogP,Optimize the molecule COc1c(C)cnc(C[NH2+]CC2(CCCl)CC2)c1C to have a lower LogP value.,COc1c(C)cnc(C[NH2+]CC2(CCC#N)CC2)c1C
MR,Please optimize the molecule COc1c(Cl)cc(C([O-])=C2C(=O)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2c2ccc(O)cc2)cc1Cl to have a higher MR value.,COc1c(Cl)cc(C([O-])=C2C(=O)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2c2ccc(NO)cc2)cc1Cl
QED,Optimize the molecule CN(C)C(=O)C(Cl)c1ccc(Cl)cc1 to have a higher QED value.,CN(C)C(=O)C(Cl)(c1ccccc1)c1ccc(Cl)cc1
AtomNum,"The molecule has 10 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CN(c1nnccc1C[NH3+])C(C)(C)CO
BondNum,"There is a molecule composed of 9 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",O=C(Cn1cnc2ccccc21)NN=Cc1ccccc1C(F)(F)F
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 ketone group, and 1 amide group.",CCc1cc(-c2ccc3c(c2)CC(CC(=O)NCc2cccnc2)C3=O)ccc1O
AddComponent,Modify the molecule CC1(C)OC2OC(C3CCCC(=O)N3Cc3ccccc3)C(OCc3ccccc3)C2O1 by adding a hydroxyl.,CC1(C)OC2OC(C3CCCC(=O)N3Cc3ccccc3)C(OCc3ccccc3)C2(O)O1
SubComponent,Modify the molecule halo by substituting a COc1cc(CNc2cccc(C(=O)[O-])c2C)c(Cl)cc1OCc1ccc(F)cc1Cl with a hydroxyl.,COc1cc(CNc2cccc(C(=O)[O-])c2C)c(O)cc1OCc1ccc(F)cc1Cl
DelComponent,Remove a hydroxyl from the molecule O=C(CC1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1cc2cc(Br)ccc2o1.,O=C(CC1C(=O)Nc2ccc([N+](=O)[O-])cc21)c1cc2cc(Br)ccc2o1
LogP,Please modify the molecule Cc1ccccc1NC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3c(C)cccc3C(=O)NC(C)C)CC2)c1C to increase its LogP value.,Cc1ccccc1NC(=O)c1cccc(NC(=O)C[NH+]2CCC(CC(=O)Nc3c(C)cccc3C(=O)NC(C)C)C2)c1C
MR,Optimize the molecule [NH3+]C1CC([NH3+])C(OC2OC(CO)C(O)C(O)C2[NH3+])C(OCCN2CC[NH2+]CC2)C1O to have a lower MR value.,[NH3+]C1CC([NH3+])C(OC2OC(CO)CC(O)C2[NH3+])C(OCCN2CC[NH2+]CC2)C1O
QED,Please modify the molecule O=C([O-])c1cccc(Cc2nc(CCl)cs2)c1 to increase its QED value.,O=C([O-])c1cccc(Cc2nc(CS)cs2)c1
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",COCc1nc2n(n1)C(c1ccc3c(c1)OCCO3)C1=C(CC(C)CC1=O)N2
BondNum,"There is a molecule composed of 13 single bonds, 1 double bond, 9 rotatable bonds, and 16 aromatic bonds.",CCCCCCNC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1COC
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amine group, 1 halo group, 1 thioether group, and 1 sulfide group.",CNc1cc(Oc2ccccc2Cl)nc(SC)n1
AddComponent,Please add a hydroxyl to the molecule Nc1cccc(OCC(O)C[NH+]2CCC(c3ccccc3)CC2)c1.,Nc1cccc(OCC(O)C[NH+]2CCC(c3cccc(O)c3)CC2)c1
SubComponent,Substitute a CN1C(=O)C2C([NH+]=CN2CC(=O)NCc2cc(-c3ccccc3F)on2)N(C)C1=O in the molecule halo with a hydroxyl.,CN1C(=O)C2C([NH+]=CN2CC(=O)NCc2cc(-c3ccccc3O)on2)N(C)C1=O
DelComponent,Remove a halo from the molecule Cc1nc(Br)cc(SC(C)CO)n1.,Cc1nccc(SC(C)CO)n1
LogP,Please modify the molecule CC(C)(C)C(=O)OC(Cc1ccccc1)C(=O)N1CCCC1CC(=O)c1ccccc1 to increase its LogP value.,CC(C)(C)C(=O)OC1(CC(=O)c2ccccc2)CCC1Cc1ccccc1
MR,Optimize the molecule Cn1c(N)c(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c(=O)n(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1=O to have a lower MR value.,Cn1cc(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c(=O)n(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1=O
QED,Please modify the molecule Cc1cccc(C)c1N1CC(C(=O)NC2CCCCC2)CC1=O to decrease its QED value.,Cc1cccc(C)c1N1C(=O)CC(C(=O)NC2CCCCC2)C1C(=O)O
AtomNum,"Please generate a molecule with 24 carbon atoms, 2 oxygen atoms, 7 nitrogen atoms, and 1 chlorine atom.",Nc1c(Cl)c(N2CCn3c(c([O-])[nH]c3=O)C2)nc2c(C3=Cc4ccccc4CC4CC34)cnn12
BondNum,"There is a molecule composed of 12 single bonds, 4 double bonds, and 4 rotatable bonds.",C=CC1(C=C)O[Si](C=C)(C=C)CCC1(C)C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, 1 amine group, and 1 nitro group.",O=C([O-])c1ccc(NCCOCCO)cc1[N+](=O)[O-]
AddComponent,Modify the molecule O=C([O-])CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 by adding a benzene ring.,O=C([O-])CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
SubComponent,Please substitute a halo in the molecule CC(=O)Nc1cccc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4ccc(F)cc4C)c3C)CC2)c1 with a thiol.,CC(=O)Nc1cccc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4ccc(S)cc4C)c3C)CC2)c1
DelComponent,Modify the molecule nitrile by removing a N#Cc1c(NC(=O)c2coc(C3CCCCC3)n2)n[nH]c1C1CC1.,O=C(Nc1cc(C2CC2)[nH]n1)c1coc(C2CCCCC2)n1
LogP,Modify the molecule C=C=C(C)C(C)(O)c1ccccc1-c1ccccc1 to increase its LogP value.,C=C=C(C)C(C)(S)c1ccccc1-c1ccccc1
MR,Modify the molecule Nc1nccc(-c2c[nH]c3ncc(-c4cccc(F)c4)cc23)n1 to have a higher MR value.,CC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccnc(N)n4)c3c2)c1
QED,Optimize the molecule CCOc1ccc(N(CCCC(=O)N(Cc2cccc(Cl)c2)C(C)C(=O)NC(C)CC)S(C)(=O)=O)cc1 to have a higher QED value.,CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)CC)S(C)(=O)=O)cc1
AtomNum,"Please generate a molecule with 29 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CCCN1C(=O)N(c2cccc3ccccc23)C(N(O)C(=O)Nc2cccc3ccccc23)C1(C)C
BondNum,"Please generate a molecule composed of 15 single bonds, 3 double bonds, 1 rotatable bond, and 6 aromatic bonds.",O=C(c1cc(F)cc(Cl)c1)N1CCC2(CCC2)S(=O)(=O)CC1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, and 2 amine groups.",CN(C(=O)[O-])c1ccc(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)cc1
AddComponent,Modify the molecule Cc1cnn(CCNC(=O)CC[NH3+])c1 by adding a aldehyde.,[NH3+]CCC(=O)NCCn1cc(CCC=O)cn1
SubComponent,Substitute a halo in the molecule O=C(CSc1cccc(Cl)c1)Cc1cccc(F)c1 with a nitro.,ONc1cccc(SCC(=O)Cc2cccc(F)c2)c1
DelComponent,Modify the molecule amine by removing a COCCN1C(=S)NC(c2ccccn2)C1c1cccs1.,COCCN1C(=S)C(c2ccccn2)C1c1cccs1
LogP,Please modify the molecule COC(=O)CN1C(=O)C(=Cc2ccccc2OCc2ccccc2C#N)NC1=S to increase its LogP value.,CC(=O)c1ccccc1COc1ccccc1C=C1NC(=S)N(CC(=O)OC)C1=O
MR,Modify the molecule CN(CCN1CC[NH2+]CC1)c1ncc(C#N)cc1[N+](=O)[O-] to increase its MR value.,CN(CCN1CC[NH2+]C(O)C1)c1ncc(C#N)cc1[N+](=O)[O-]
QED,Modify the molecule O=C(C1CCC(S(=O)(=O)c2ccc(-c3cncc(Cl)n3)cc2C(F)(F)F)C1)N1CC(F)(F)C1 to increase its QED value.,O=S(=O)(c1ccc(-c2cncc(Cl)n2)cc1C(F)(F)F)C1CC2CC(F)(F)CC21
AtomNum,"There is a molecule with 20 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC1CCCC(NC(=O)C(C)N2CCS(=O)(=O)C3(CCCCC3)C2)C1C
BondNum,"The molecule consists of 8 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",CC(C)(C(=O)c1cc(F)c([O-])c(F)c1)c1cnc2ccccc2c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 nitrile group, and 1 sulfone group.",COC(=O)[N-]S(=O)(=O)N(CCC#N)c1ccccc1
AddComponent,Please add a benzene ring to the molecule CC(CC[NH3+])CCC[NH2+]C1CCC1.,CC(CC[NH3+])CCC[NH2+]C1CCC1c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule CCC(C(=O)[O-])C(C)(O)c1cccc(C)c1 with a carboxyl.,CCC(C(=O)[O-])C(C)(C(=O)[OH])c1cccc(C)c1
DelComponent,Modify the molecule benzene ring by removing a C=CCC1(C(=O)OC2CCCCC2c2ccccc2)OC(=O)NC1c1ccccc1.,C=CCC1(C(=O)OC2CCCCC2)OC(=O)NC1c1ccccc1
LogP,Please modify the molecule COc1ccc([Te]C#C[Te]c2ccc(OC)cc2)cc1 to increase its LogP value.,COc1ccc([Te]C#C[Te]c2ccc(OCc3ccccc3)cc2)cc1
MR,Please modify the molecule Cc1ccc(OCc2ccc(Cl)s2)c(CBr)n1 to decrease its MR value.,Cc1ccc(OCc2ccc(Cl)s2)c(C)n1
QED,Modify the molecule COc1cc(C(Nc2ccc(C#N)cc2)C(=O)C[NH2+]C(C(=O)[O-])c2ccccc2)ccc1OCc1ccccc1 to have a lower QED value.,COc1cc(C(Nc2ccc(S)cc2)C(=O)C[NH2+]C(C(=O)[O-])c2ccccc2)ccc1OCc1ccccc1
AtomNum,"Please generate a molecule composed of 10 carbon atoms, and 4 nitrogen atoms.",[NH3+]Cc1cncc(N2CCCCC2)n1
BondNum,"There is a molecule composed of 14 single bonds, 1 triple bond, and 10 rotatable bonds.",CCCCCC(C#N)NCC[NH+](CC)CC
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",O=C(Nc1cccc(I)c1)NC1CC[NH+](CCc2ccncc2)CC1
AddComponent,Add a aldehyde to the molecule CC[NH2+]Cc1cccc(NC(=O)CCSc2ccccc2F)c1.,CC[NH2+]Cc1ccc(CC=O)c(NC(=O)CCSc2ccccc2F)c1
SubComponent,Please substitute a CCOc1cccc(N)c1C(=O)Nc1cc(F)ccc1Cl in the molecule halo with a aldehyde.,CC(=O)c1ccc(Cl)c(NC(=O)c2c(N)cccc2OCC)c1
DelComponent,Modify the molecule halo by removing a Cc1cc(F)c(-c2ccc(F)cc2F)cc1N.,Cc1cc(F)c(-c2ccc(F)cc2)cc1N
LogP,Modify the molecule O=S(=O)(NCCCc1ncn[nH]1)c1cccc(O)c1 to have a higher LogP value.,CC(=O)c1cccc(S(=O)(=O)NCCCc2ncn[nH]2)c1
MR,Optimize the molecule COc1ccc(Br)c(CC(=O)CSc2ccccc2C)c1 to have a higher MR value.,CC(=O)c1ccc(OC)cc1CC(=O)CSc1ccccc1C
QED,Please optimize the molecule CC=CCOC(=O)CCCC(=O)OCCCCCCCCCl to have a higher QED value.,CC=CCOC(=O)CCCC(=O)OCCCCCCCC
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",CC[NH+](CC(=O)Nc1ccc(F)c(Cl)c1)C(C)c1cccc(OC)c1
BondNum,"There is a molecule composed of 12 single bonds, 1 double bond, 8 rotatable bonds, and 11 aromatic bonds.",COc1cccc(OCc2cc(C(=O)NCC(O)CO)n[nH]2)c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ester group, 1 amide group, and 1 halo group.",CCOC(=O)C(=O)N(C)Cc1ccc(Br)cc1
AddComponent,Modify the molecule O=C(Cc1nc(CCl)cs1)N1CCC(C(F)(F)F)CC1 by adding a hydroxyl.,O=C(C(O)c1nc(CCl)cs1)N1CCC(C(F)(F)F)CC1
SubComponent,Modify the molecule Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)nc(C)n2)cc1 by substituting a halo with a aldehyde.,CC(=O)c1cccc(CS(=O)(=O)N2CCN(c3cc(Nc4ccc(C)cc4)nc(C)n3)CC2)c1
DelComponent,Modify the molecule O=C(Nc1c2ccccc2cc2ccccc12)C(F)C(F)(F)F by removing a halo.,O=C(Nc1c2ccccc2cc2ccccc12)C(F)C(F)F
LogP,Modify the molecule O=C(CN1CCN(C(=O)Nc2ccc(F)cc2)CC1=O)NCCC1=CCCCC1 to increase its LogP value.,O=C1CN(C(=O)Nc2ccc(F)cc2)CCN1CCC1=CCCCC1
MR,Modify the molecule CN(C)C(=O)ON=Cc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 to have a higher MR value.,CN(C)C(=O)ON=Cc1cccc(-c2cc(C(F)(F)C#N)cc(N(C)C)n2)c1
QED,Modify the molecule N#Cc1cccc(C(C#N)CCOc2ccc(Cl)cc2)c1 to have a higher QED value.,N#Cc1cccc(C(C#N)CCOc2ccc(Cl)cc2)c1O
AtomNum,"The molecule is composed of 26 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1cc(C)c2cc(CN(Cc3ccc(Cl)cc3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1
BondNum,"Please generate a molecule with 7 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC(=O)CCNc1ccc(Br)c(C)c1
FunctionalGroup,The molecule has and 4 halo groups.,O=C([O-])c1ccc(COCC(F)(F)C(F)F)o1
AddComponent,Modify the molecule O=S(=O)(NCCc1csc(N2CCCCC2)n1)c1ccccc1Cl by adding a benzene ring.,O=S(=O)(NCCc1csc(N2CCCCC2)n1)c1c(Cl)cccc1-c1ccccc1
SubComponent,Modify the molecule CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccc(F)c(F)c4)nc3)nc21 by substituting a halo with a nitro.,CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccc(NO)c(F)c4)nc3)nc21
DelComponent,Remove a halo from the molecule CC(COC(=O)C=Cc1ccc(F)cc1)(COC(=O)C=Cc1ccc(F)cc1)COC(=O)C=CC1C=CC(F)=CC1.,CC(COC(=O)C=Cc1ccc(F)cc1)(COC(=O)C=Cc1ccc(F)cc1)COC(=O)C=CC1C=CC=CC1
LogP,Optimize the molecule C=CCn1c(SCc2cccc(C(=O)OC)c2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 to have a higher LogP value.,C=CC(c1ccccc1)n1c(SCc2cccc(C(=O)OC)c2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12
MR,Optimize the molecule CSc1nnc(SCc2nnc(-c3ccccc3Br)o2)s1 to have a lower MR value.,CSc1nnc(SCc2nnc(-c3ccccc3C(=O)[OH])o2)s1
QED,Modify the molecule O=C([O-])C(CCCl)=C(CCCl)C(=O)[O-] to have a lower QED value.,ONCCC(C(=O)[O-])=C(CCCl)C(=O)[O-]
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCc1cnc(CNc2ncc(C)cc2N)s1
BondNum,"The molecule has 8 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CCCCc1ccc(NC(=O)Nc2ccccn2)cc1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, and 1 amide group.",CC(C)C(CO)N(C)C(=O)C1C2C=CC(C2)C1C(=O)[O-]
AddComponent,Add a benzene ring to the molecule COc1c(F)cccc1N1CC[NH2+]CC1C.,COc1c(F)ccc(-c2ccccc2)c1N1CC[NH2+]CC1C
SubComponent,Modify the molecule halo by substituting a COc1cc(C(F)(F)F)cc(C(F)(F)F)c1B(O)O with a nitro.,COc1cc(C(F)(F)NO)cc(C(F)(F)F)c1B(O)O
DelComponent,Remove a benzene ring from the molecule CC(=O)OCCCc1ccc(Oc2ccccc2)nc1.,CC(=O)OCCCc1ccc(O)nc1
LogP,Optimize the molecule COc1ccc(C2(CNC(=O)c3cc(-c4ccccc4)oc3C)CCCC2)cc1OC to have a lower LogP value.,COc1ccc(C2(CNC(=O)c3ccoc3C)CCCC2)cc1OC
MR,Optimize the molecule CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1CC(=O)ON1 to have a lower MR value.,CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1CC(=O)O1
QED,Please optimize the molecule O=C(NCC(c1ccc(F)cc1)[NH+]1CCOCC1)c1ccc2ccccc2n1 to have a lower QED value.,CC(=O)c1ccc(C(CNC(=O)c2ccc3ccccc3n2)[NH+]2CCOCC2)cc1
AtomNum,"The molecule is composed of 11 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",Cc1c(CN(C)S(=O)(=O)c2cccs2)cnn1C
BondNum,"The molecule has 23 single bonds, 3 double bonds, and 16 rotatable bonds.",CCCCCCCCC(C(=O)OCCCC)=C(C(=O)OCCCC)C(C)C
FunctionalGroup,"The molecule has 2 benzene ring groups, and 12 halo groups.",Cc1ccc(C(c2ccc(-c3nc4cc(C(c5ccc6oc(C)nc6c5)(C(F)(F)F)C(F)(F)F)ccc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1
AddComponent,Please add a benzene ring to the molecule CCn1ccn(CC(Cl)C#N)c1=O.,N#CC(Cl)Cn1ccn(CCc2ccccc2)c1=O
SubComponent,Modify the molecule halo by substituting a CCOC(=O)C1(c2ccc(-c3ccc(-c4sc(F)cc4N)cc3)cc2)CC1 with a carboxyl.,CCOC(=O)C1(c2ccc(-c3ccc(-c4sc(C(=O)[OH])cc4N)cc3)cc2)CC1
DelComponent,Please remove a CCC(Nc1ccccc1OCC(C)C)c1ccco1 from the molecule amine.,CCC(c1ccco1)c1ccccc1OCC(C)C
LogP,Optimize the molecule COCCCn1c(SC(C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(Cl)cc1 to have a lower LogP value.,COCCCn1c(SC(C)C(=O)Nc2c(O)cc(F)cc2Cl)nnc1-c1ccc(Cl)cc1
MR,Modify the molecule O=C(NC1CCCc2occc21)c1cccc(OCC2CCCO2)c1 to increase its MR value.,O=C(NC1CC(c2ccccc2)Cc2occc21)c1cccc(OCC2CCCO2)c1
QED,Optimize the molecule c1cc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)cc(N2CCOCC2)c1 to have a lower QED value.,c1cc(-c2cn3ccnc3c(-c3ccc(N4CCOCC4)cc3)n2)cc(N2CCOCC2)c1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CCN(CC)c1c(CC(=O)[O-])c(C)[nH+]c2ccc(F)cc12
BondNum,"Please generate a molecule with 12 single bonds, 3 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCCS(=O)(=O)NCc1nonc1C(=[NH2+])N(O)c1ccc(F)c(Cl)c1
FunctionalGroup,"The molecule has 1 amide group, and 1 halo group.",CCCN(C)C(=O)c1cncc(-c2cn(CC3(F)CCOCC3)c(C(C)(C)C)[nH+]2)n1
AddComponent,Modify the molecule Cc1onc(-c2ccccc2)c1-c1cn2cc(-n3cccc3)ccc2[nH+]1 by adding a carboxyl.,Cc1onc(-c2cccc(C(=O)O)c2)c1-c1cn2cc(-n3cccc3)ccc2[nH+]1
SubComponent,Please substitute a halo in the molecule O=Cc1cc(F)c(F)cc1-c1cc(C(=O)[O-])on1 with a hydroxyl.,O=Cc1cc(O)c(F)cc1-c1cc(C(=O)[O-])on1
DelComponent,Modify the molecule halo by removing a COC(OC)(OC)c1cc(Br)cs1.,COC(OC)(OC)c1cccs1
LogP,Modify the molecule C=C(N=C(C=C([NH3+])c1cccc(C#N)c1)N1CCN(c2ncccc2Cl)CC1C)[NH+]1CCCC1 to have a lower LogP value.,C=C(N=C(C=C([NH3+])c1cccc(C#N)c1)N1CCN(c2ccccn2)CC1C)[NH+]1CCCC1
MR,Please optimize the molecule Cc1cc(C(=O)NC2CCC(C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)ccc1F to have a higher MR value.,Cc1cc(C(=O)NC2CCC(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)ccc1F
QED,Please modify the molecule CCCCC(C)NC(=O)C(CCC)(CCC)C(N)=[NH+]O to increase its QED value.,CCCCC(C)NC(=O)C(CCC)(CCC)C(N)=[NH+]C(=O)[OH]
AtomNum,"Please generate a molecule with 32 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",Cc1ccc(C)c(C([O-])=C2C(=O)C(=O)N(Cc3ccccc3)C2c2cccc(Oc3ccccc3)c2)c1
BondNum,"There is a molecule with 11 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCC[NH2+]C(CCC)c1ccc(-c2ccc(F)cc2F)s1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 2 amide groups.",CCOCCCC(NC(=O)OC)C(=O)N1CCCC1c1[nH]c(-c2ccc(-c3ccc(-c4c[nH+]c(C5CCCN5C(=O)C(NC(=O)OC)C5CCOCC5)[nH]4)c(OCCOC)c3OCCOC)cc2)c[nH+]1
AddComponent,Modify the molecule C#CC1(C(F)F)COCC(N)=[NH+]1 by adding a hydroxyl.,C#CC1(C(O)(F)F)COCC(N)=[NH+]1
SubComponent,Please substitute a halo in the molecule COCc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(O)c2ncccc12 with a hydroxyl.,COCc1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)c(O)c2ncccc12
DelComponent,Modify the molecule amine by removing a CCC1CC(Nc2c(NCC3CC3)c(=O)c2=O)CC1c1nnc2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)n12.,CCC1CC(Nc2c(CC3CC3)c(=O)c2=O)CC1c1nnc2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)n12
LogP,Please modify the molecule Cc1sc(C(=O)NN)cc1COCc1cccs1 to decrease its LogP value.,Cc1sc(C(=O)NN)c(O)c1COCc1cccs1
MR,Modify the molecule BrCc1c(CBr)c2c3c(c(CBr)c(CBr)c4c3c1-c1c(C(Br)Br)ccc(C(Br)Br)c1-4)-c1c(C(Br)Br)ccc(C(Br)Br)c1-2 to have a lower MR value.,BrCc1ccc(C(Br)Br)c2c1-c1c(CBr)c(CBr)c3c4c(c(CBr)c(CBr)c-2c14)-c1c(C(Br)Br)ccc(C(Br)Br)c1-3
QED,Please modify the molecule CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)NC2=S)cc1 to decrease its QED value.,CC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c2C)c(Cl)c1
AtomNum,"There is a molecule composed of 21 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1cc(Cl)ccc1F
BondNum,"The molecule is composed of 14 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCOc1cncc(C([NH3+])C(C)(C)N2CCCC2)c1
FunctionalGroup,"Please generate a molecule consisting 4 benzene ring groups, 2 amide groups, 1 nitro group, and 3 halo groups.",COc1cc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1
AddComponent,Please add a hydroxyl to the molecule CC(C)COC[Si]1(C(C)C)O[Si](COCC(C)C)(C(C)C)O[Si](COCC(C)C)(C(C)C)O[Si](COCC(C)C)(C(C)C)O1.,CC(C)COC[Si]1(C(C)C)O[Si](COCC(C)C)(C(C)C)O[Si](COCC(C)(C)O)(C(C)C)O[Si](COCC(C)C)(C(C)C)O1
SubComponent,Please substitute a C=C1C2OC(O)C3C1(O)CC(OC(C)=O)C3(COC(=O)C(OC(=O)CC(C)C)C(C)C)O2 in the molecule hydroxyl with a nitrile.,C=C1C2OC(C#N)C3C1(O)CC(OC(C)=O)C3(COC(=O)C(OC(=O)CC(C)C)C(C)C)O2
DelComponent,Remove a amide from the molecule CCC1(OC(=O)CCC(=O)NCC(=O)OC(C)(C)C)C(=O)OCc2c1cc1n(c2=O)CC2=C(C=NOC(C)(C)C)c3ccccc3NC21.,CCC1(OC(=O)CCC(=O)OC(C)(C)C)C(=O)OCc2c1cc1n(c2=O)CC2=C(C=NOC(C)(C)C)c3ccccc3NC21
LogP,Modify the molecule CN(c1cccc(NC(=S)NC2CCCc3ccccc32)c1)S(C)(=O)=O to have a higher LogP value.,CN(c1cccc(NC(=S)C2CCCc3ccccc32)c1)S(C)(=O)=O
MR,Modify the molecule Cc1nn(C)c2c1nc(C(C)Cl)n2CC1CCC[NH+](C)C1 to have a lower MR value.,CCc1nc2c(C)nn(C)c2n1CC1CCC[NH+](C)C1
QED,Modify the molecule CC(NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 to have a lower QED value.,CC(NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)(c1ccccc1)c1ccccc1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, and 2 sulfur atoms.",CC1=CCC=C(c2cccs2)C(c2cccs2)=CC1
BondNum,"The molecule consists of 12 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C(Cc1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CC1CCN(C(=O)C([NH3+])Cc2ccc(O)cc2)CC1C
AddComponent,Add a amine to the molecule CCCCN(CC)C(=O)C1CCCN(S(C)(=O)=O)C1.,CCN(CCCCN)C(=O)C1CCCN(S(C)(=O)=O)C1
SubComponent,Substitute a NS(=O)(=O)c1ccc(NS(=O)(=O)C2CC2)c(F)c1 in the molecule halo with a thiol.,NS(=O)(=O)c1ccc(NS(=O)(=O)C2CC2)c(S)c1
DelComponent,Remove a amide from the molecule O=C1C[NH+](CCNC(=O)C2CC2C2CCCCC2)CCN1.,O=C(NCC[NH+]1CC1)C1CC1C1CCCCC1
LogP,Please modify the molecule Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3c(C)cccc3Cl)cc2)cc1 to decrease its LogP value.,Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3c(C)cccc3NO)cc2)cc1
MR,Modify the molecule CCC(C)C(=O)Nc1ccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)NC4CCCCC4)ccc3C)CC2)cc1OC to increase its MR value.,CCC(C)C(=O)Nc1ccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)NC4CCCCC4)ccc3C)CC2C(=O)O)cc1OC
QED,Please optimize the molecule COc1ccccc1-c1[nH]oc2cc(OC)c(OC)c(=O)c1-2 to have a higher QED value.,COc1cc2o[nH]c(OC)c-2c(=O)c1OC
AtomNum,"Please generate a molecule with 19 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",O=C(c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1)N1CCOCC1
BondNum,"There is a molecule composed of 16 single bonds, 8 rotatable bonds, and 5 aromatic bonds.",CC[NH2+]CCn1nnnc1SCC[NH+]1CCN(C)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",CCc1ccc(NC(=O)c2cc(N3CCCC3)nc(C)n2)cc1
AddComponent,Add a amine to the molecule CON(c1ccc(Cl)cc1Cl)c1c(C#N)cnc2cc(-c3ccc(C=O)o3)ccc12.,CON(c1c(N)cc(Cl)cc1Cl)c1c(C#N)cnc2cc(-c3ccc(C=O)o3)ccc12
SubComponent,Please substitute a Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C)cc(C)c2C#N)cc1 in the molecule nitrile with a carboxyl.,Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C)cc(C)c2C(=O)[OH])cc1
DelComponent,Remove a amide from the molecule CC1CN(C(=O)C2CC[NH+](Cc3nnc(C4CC4)o3)CC2)CC(C)O1.,CC1CC2C[NH+](Cc3nnc(C4CC4)o3)CCC2C(C)O1
LogP,Optimize the molecule CC1(C)C[NH+](CCCCCCCCCBr)CC(C)(C)O1 to have a lower LogP value.,CCCCCCCCC[NH+]1CC(C)(C)OC(C)(C)C1
MR,Please modify the molecule CCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(C)cc2)c1 to decrease its MR value.,CCS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(C)cc2)c1
QED,Modify the molecule CCC1CCC([NH+](CC(=O)NC(C2CC2)C2CC2)C2CC2)CC1 to increase its QED value.,CCC1CCC([NH+](C2CC2)C(C2CC2)C2CC2)CC1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, and 2 oxygen atoms.",C=CCc1ccc2c(c1[O-])C(=O)c1ccccc1C2
BondNum,"Please generate a molecule composed of 5 single bonds, 2 double bonds, 3 rotatable bonds, and 15 aromatic bonds.",CCCC(=O)Oc1c2ccoc2cc2oc(=O)ccc12
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 2 halo groups.",Cn1cc(C([NH3+])c2ccc(F)c(Br)c2)cn1
AddComponent,Modify the molecule COC(=O)C(O)CNC(=O)c1ccoc1 by adding a hydroxyl.,O=C(NCC(O)C(=O)OCO)c1ccoc1
SubComponent,Please substitute a CC(=O)CNC(=O)C1=C([O-])c2ccc(F)cc2C(C)(C)C1=O in the molecule halo with a carboxyl.,CC(=O)CNC(=O)C1=C([O-])c2ccc(C(=O)[OH])cc2C(C)(C)C1=O
DelComponent,Remove a Oc1c(C=Nc2ccccc2)cc(-c2ccccc2)cc1C1CCCCCCC1 from the molecule hydroxyl.,C(=Nc1ccccc1)c1cc(-c2ccccc2)cc(C2CCCCCCC2)c1
LogP,Optimize the molecule CC(=O)c1ccc(OC2CCCC(S(C)(=O)=O)C2)c(F)c1 to have a higher LogP value.,CC(=O)c1ccc(OC2CCCC(S(=O)(=O)Cc3ccccc3)C2)c(F)c1
MR,Modify the molecule COc1ccc2c(c1)CCc1cc(C)ccc1C2 to have a higher MR value.,COc1ccc2c(c1)CC(C(=O)O)c1cc(C)ccc1C2
QED,Modify the molecule CC[NH2+]Cc1cc(C)nc(-c2cccc(C)c2)n1 to decrease its QED value.,Cc1cccc(-c2nc(C)cc(C[NH2+]CCc3ccccc3)n2)c1
AtomNum,"The molecule consists of 19 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",O=C(Nc1ccccc1)c1cccc(C(=O)Nc2ccc(F)c(F)c2)n1
BondNum,"The molecule has 12 single bonds, 5 rotatable bonds, and 23 aromatic bonds.",OC1CCC(c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CC1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 ketone group, 1 ester group, 1 amide group, and 2 halo groups.",CC(=O)Nc1ccc(CC(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1
AddComponent,Modify the molecule Cc1ccc(C(C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)o1 by adding a hydroxyl.,Cc1ccc(C(C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)C(O)n2nnc3ccccc32)o1
SubComponent,Substitute a O=C(C1CCCCC1)N1CCCC1C1NNCC1c1ccc(F)cc1 in the molecule halo with a thiol.,O=C(C1CCCCC1)N1CCCC1C1NNCC1c1ccc(S)cc1
DelComponent,Please remove a hydroxyl from the molecule C=CCOC(C=C)C=C(C)C(=O)OCC(CC)(CO)CO.,C=CCOC(C=C)C=C(C)C(=O)OCC(C)(CC)CO
LogP,Please modify the molecule CCN(C(=O)c1ccc(F)cc1Cl)c1nc2ccccc2s1 to decrease its LogP value.,CCN(C(=O)c1ccc(F)cc1)c1nc2ccccc2s1
MR,Please modify the molecule NCCS(=O)CCOc1ccc(Cl)c(C(=O)NCC23CCCC(CCC2)C3)c1 to increase its MR value.,NCCS(=O)CCOc1ccc(NO)c(C(=O)NCC23CCCC(CCC2)C3)c1
QED,Modify the molecule CCc1ccc2c(c1)C([NH2+]CC(O)C(Cc1cc(F)cc(F)c1)Nc1cccc(N)c1)CCC2 to have a lower QED value.,CCc1ccc2c(c1)C([NH2+]CC(O)C(Cc1cc(F)cc(F)c1)Nc1cc(N)cc(N)c1)CCC2
AtomNum,"The molecule contains 12 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC1C[NH+](C(C)C(C)(C)C)CCC1=O
BondNum,"There is a molecule composed of 6 single bonds, 2 double bonds, 1 triple bond, 3 rotatable bonds, and 11 aromatic bonds.",Cc1ccccc1NC(=O)C(C#N)=Cc1ccco1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 ester group, 2 amine groups, and 1 halo group.",CCOC(=O)C1=C(c2ccccc2)Nc2nc(=S)[nH]c(N)c2C1c1cccc(F)c1
AddComponent,Add a hydroxyl to the molecule O=c1[nH]c2ccccc2c(OCC2CC[NH2+]CC2)c1-c1cccs1.,O=c1[nH]c2cccc(O)c2c(OCC2CC[NH2+]CC2)c1-c1cccs1
SubComponent,Substitute a halo in the molecule COc1ccc(NC(=O)N(C)Cc2ccccc2N2CCCC2)cc1OC(F)F with a nitro.,COc1ccc(NC(=O)N(C)Cc2ccccc2N2CCCC2)cc1OC(F)NO
DelComponent,Please remove a benzene ring from the molecule COc1cc2c(CC(=O)NC(C)C)c(C)n(C(=O)c3ccc(OC(F)F)cc3)c2cc1F.,COc1cc2c(CC(=O)NC(C)C)c(C)n(C(=O)OC(F)F)c2cc1F
LogP,Please modify the molecule CCOC(=O)NN(C(=O)OCC)C(OC)(C(=O)OC)c1ccccc1 to decrease its LogP value.,CCOC(=O)NN(C(=O)OCC)C(OC)C(=O)OC
MR,Modify the molecule C=CCOc1ccc(C(=O)NCc2cccc(C#N)c2)cc1 to decrease its MR value.,C=CCOc1ccc(C(=O)NCc2cccc(F)c2)cc1
QED,Optimize the molecule COc1ccc(N)cc1-c1nnnn1CC1CCC1 to have a lower QED value.,CONc1nnnn1CC1CCC1
AtomNum,"Please generate a molecule with 15 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COC(=O)C1CN(C(=O)Cc2cccc(O)c2)CC1C
BondNum,"There is a molecule consisting of 10 single bonds, 9 rotatable bonds, and 11 aromatic bonds.",CCCCCCCCOc1ccc(-n2ccnc2)cc1
FunctionalGroup,The molecule contains and 1 benzene ring group.,Cc1ccc(N2CCC3CCCCC3C2)c(C(=O)[O-])c1
AddComponent,Add a benzene ring to the molecule CCCOc1ccc(OC(=O)Cn2nc(C)c3ccccc3c2=O)cc1.,CCCOc1ccc(OC(=O)Cn2nc(C)c3ccccc3c2=O)cc1-c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule Cc1c(O)ccc(C(=O)c2ccccc2)c1O with a nitro.,Cc1c(NO)ccc(C(=O)c2ccccc2)c1O
DelComponent,Remove a halo from the molecule COc1ccc2nc(-c3cccc(C)c3F)nc(N)c2c1.,COc1ccc2nc(-c3cccc(C)c3)nc(N)c2c1
LogP,Please modify the molecule CCNC(=[NH+]Cc1nc(C(C)OCC)no1)N1CCN(c2cccc(Cl)c2)CC1 to increase its LogP value.,CCNC(Cc1nc(C(C)OCC)no1)N1CCN(c2cccc(Cl)c2)CC1
MR,Modify the molecule CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(CC)cc3)ccc2F)CC1 to increase its MR value.,CCOC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(CC)cc3)c2)CC1
QED,Modify the molecule O=C(CN1CC[NH2+]CC1)NCc1ccc(C(=O)N2CCCC2)cc1 to have a lower QED value.,O=C(CN1CC[NH2+]C(c2ccccc2)C1)NCc1ccc(C(=O)N2CCCC2)cc1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC[NH2+]Cc1ccc(N2CCC(C(=O)NC)CC2)nc1
BondNum,"The molecule is composed of 12 single bonds, 2 double bonds, and 7 rotatable bonds.",CCC(CC)C[NH2+]CC=C(C)C(=O)OC
FunctionalGroup,"The molecule consists of 1 amine group, and 1 nitrile group.",Cc1c(C#N)ccn2c(N)c[nH+]c12
AddComponent,Add a nitrile to the molecule CCn1cc(S(=O)(=O)NCc2nnc(C3CCC3)n2C)[nH+]c1C.,CCn1cc(S(=O)(=O)NCc2nnc(C3(C#N)CCC3)n2C)[nH+]c1C
SubComponent,Modify the molecule halo by substituting a O=C(c1cc(=O)c2cc(C3C=COC3)cc(C(F)(F)F)c2[nH]1)N1CC=C(c2ccccc2)CC1 with a aldehyde.,CC(=O)C(F)(F)c1cc(C2C=COC2)cc2c(=O)cc(C(=O)N3CC=C(c4ccccc4)CC3)[nH]c12
DelComponent,Please remove a amide from the molecule CC1(C)C[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1C1CCCO1.,CC1(C)C[NH+](Cc2cccc(S(N)(=O)=O)c2)C1C1CCCO1
LogP,Please modify the molecule COc1cc2c(cc1OC)CN(C(=O)CN(CCc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2 to decrease its LogP value.,COc1cc2c(cc1OC)CN(C(=O)CN(CCc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)C(=O)[OH])c1)CC2
MR,Modify the molecule [NH3+]CC1CCCCC1[NH2+]Cc1cncs1 to increase its MR value.,[NH3+]CC1CCCCC1[NH2+]C(C(=O)O)c1cncs1
QED,Please modify the molecule O=C(Cn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 to increase its QED value.,O=C(Cn1c(=O)oc2ccccc21)Nc1cc(C(F)F)cc(C(F)(F)F)c1
AtomNum,"Please generate a molecule with 17 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CCCC([NH2+]CC)C(C)Cc1ccc(OC)c(OC)c1
BondNum,"The molecule contains 14 single bonds, 1 double bond, 9 rotatable bonds, and 5 aromatic bonds.",COCCOCCn1nnc(C(=O)OCC(C)C)c1C
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 amide group, 2 thioether groups, 1 sulfide group, and 1 sulfone group.",Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3C)cc2C)cc1
AddComponent,Modify the molecule CCC(C)C(=O)Nc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)N4CCCCC4)c3)CC2)cc1C by adding a carboxyl.,CCC(CC(=O)O)C(=O)Nc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)N4CCCCC4)c3)CC2)cc1C
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ccc(Cl)c2c1C(O)(C[NH3+])CCCO2 with a nitrile.,Cc1ccc(Cl)c2c1C(C#N)(C[NH3+])CCCO2
DelComponent,Modify the molecule amine by removing a Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC=Cc1cnc(N)s1.,Cc1ccc(S(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC=Cc1cnc(N)s1
LogP,Please optimize the molecule O=C(COC(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCC2 to have a lower LogP value.,O=C(COC(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCC2O
MR,Please modify the molecule CCC[NH2+]C(Cc1cc(Cl)ccc1F)c1cccc(F)c1 to increase its MR value.,CC(=O)c1ccc(F)c(CC([NH2+]CCC)c2cccc(F)c2)c1
QED,Modify the molecule COCCNC(=O)NC(C)(C)c1ccccc1 to have a lower QED value.,COCCNC(=O)NC(C)C
AtomNum,"There is a molecule consisting of 9 carbon atoms, 2 oxygen atoms, and 1 sulfur atom.",CC1OC(=O)C=C1c1cccs1
BondNum,"Please generate a molecule consisting 6 single bonds, 6 rotatable bonds, and 45 aromatic bonds.",c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccn4-c4ccccc4)c3)cc2)cc1
FunctionalGroup,The molecule contains and 6 benzene ring groups.,c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c(-c5ccccc5)nc(-c5ccccc5)nc3n4-c3ccccc3)cc2)cc1
AddComponent,Modify the molecule CC(C)n1cncc1COC1CCC(O)CC1 by adding a benzene ring.,CC(C)n1cncc1COC1CCC(O)C(c2ccccc2)C1
SubComponent,Substitute a halo in the molecule CCCCNC(=O)C1CC(c2cccc(Br)c2)=NO1 with a nitro.,CCCCNC(=O)C1CC(c2cccc(NO)c2)=NO1
DelComponent,Please remove a CC[NH+](Cc1nc(NC)ccc1Cl)C1CC1 from the molecule amine.,CC[NH+](Cc1nc(C)ccc1Cl)C1CC1
LogP,Please modify the molecule O=C([O-])c1c(NS(=O)c2ccc(F)cc2CC2CC3CCC[NH+]3C2)ccc2c1OCC1CC21 to decrease its LogP value.,O=C([O-])c1c(N[SH](=O)(F)CC2CC3CCC[NH+]3C2)ccc2c1OCC1CC21
MR,Please optimize the molecule O=C(CCl)C1CCCC(C(F)(F)F)C1 to have a lower MR value.,O=C(CO)C1CCCC(C(F)(F)F)C1
QED,Please optimize the molecule CC(C)CCNN1CCCC1 to have a lower QED value.,CC(C)CCN1CCCC1
AtomNum,"The molecule has 15 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCC(C)[NH+](CC(=O)[O-])Cc1ccc(OC)cc1OC
BondNum,"The molecule contains 5 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",O=c1ccc(I)cn1Cc1cc(Cl)ccc1Cl
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",COCCOc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1
AddComponent,Add a hydroxyl to the molecule CCc1ccccc1OCC(=O)NCCCc1nnc(SC)n1CC(C)C.,CCc1ccccc1OCC(=O)NC(O)CCc1nnc(SC)n1CC(C)C
SubComponent,Please substitute a halo in the molecule CS(=O)(=O)c1sc(I)cc1C(=O)[O-] with a carboxyl.,CS(=O)(=O)c1sc(C(=O)[OH])cc1C(=O)[O-]
DelComponent,Modify the molecule N#Cc1cc(F)c(NC2CCCc3ccccc32)c(F)c1 by removing a amine.,N#Cc1cc(F)c(C2CCCc3ccccc32)c(F)c1
LogP,Modify the molecule O=C(CCc1cn[nH]c1)N1CCN(C(=O)C2CCC2)CC1 to decrease its LogP value.,O=C(C1CCC1)N1CCN(C(=O)CCc2cn[nH]c2)C(O)C1
MR,Optimize the molecule O=C(CSSC(=S)Nc1ccccc1)c1ccccc1 to have a lower MR value.,O=C(CSSC(=S)c1ccccc1)c1ccccc1
QED,Optimize the molecule CCCCNC(=O)CSCc1nc(-c2ccc(OC)cc2)oc1C to have a higher QED value.,CCCCNC(=O)CSCc1nc(OC)oc1C
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCC1(C(=O)[O-])CCCN1C(=O)C(CCSC)NC(N)=O
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 4 rotatable bonds, and 18 aromatic bonds.",Nc1ccc(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl
FunctionalGroup,There is a molecule consisting of and 2 benzene ring groups.,COc1ccc(C[NH2+]C(c2ccccc2)c2n[nH]c(C)n2)cc1C
AddComponent,Modify the molecule CC(C)C(CC(=O)[O-])NC(=O)NCCOc1ccccc1 by adding a carboxyl.,CC(C)C(CC(=O)[O-])NC(=O)NCCOc1cccc(C(=O)O)c1
SubComponent,Modify the molecule halo by substituting a O=C(Nc1ccccc1F)NC1CC2CCCC(C1)[NH+]2Cc1ccco1 with a hydroxyl.,O=C(Nc1ccccc1O)NC1CC2CCCC(C1)[NH+]2Cc1ccco1
DelComponent,Please remove a hydroxyl from the molecule COC(C=CC1C(O)CC(O)C1CC=CCCCC(=O)OC(C)C)CCc1ccco1.,COC(C=CC1C(O)CCC1CC=CCCCC(=O)OC(C)C)CCc1ccco1
LogP,Please modify the molecule COc1cccc(CC[NH+](C)CO)c1 to increase its LogP value.,COc1cccc(CC[NH+](C)C)c1
MR,Please modify the molecule CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)C2c2cccs2)c1 to increase its MR value.,CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)[OH])c(F)c3F)C2c2cccs2)c1
QED,Modify the molecule COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)c2C)cc1 to have a higher QED value.,COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)c2C)cc1
AtomNum,"The molecule is composed of 11 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",Cc1cc2c(=O)n(CCCS(C)(=O)=O)cnc2s1
BondNum,"The molecule consists of 13 single bonds, 1 double bond, and 4 rotatable bonds.",C[NH+](CC(C)(C)C[NH3+])C1CCOC1=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 halo groups, and 1 sulfide group.",Cc1cnc(-c2cc(Cl)ccc2F)s1
AddComponent,Please add a aldehyde to the molecule O=C([O-])Cn1nc(CC2CCS(=O)(=O)C2)c2c1CC[NH2+]C2.,O=CCC1CS(=O)(=O)CC1Cc1nn(CC(=O)[O-])c2c1C[NH2+]CC2
SubComponent,Substitute a halo in the molecule Cc1cc(C)cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)N4CCCC(C)C4)c3)CC2)c1 with a nitrile.,Cc1cc(C)cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(C#N)c(C(=O)N4CCCC(C)C4)c3)CC2)c1
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccc2ccccc2c1C=CC(=O)c1ccc(OCC(=O)[O-])cc1.,CCOc1ccc2ccccc2c1C=CC(=O)OCC(=O)[O-]
LogP,Please modify the molecule CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCNc1nc2ccccc2s1 to increase its LogP value.,CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCc1nc2ccccc2s1
MR,Optimize the molecule CCc1c(C)[nH+]c2ccc(N3CCOCC3)cc2c1NC to have a lower MR value.,CCc1c(C)[nH+]c2ccc(N3CCOCC3)cc2c1C
QED,Modify the molecule FC(F)(F)CCCC[NH2+]C(c1cccs1)c1ccc(Cl)s1 to decrease its QED value.,CC(=O)C(F)(F)CCCC[NH2+]C(c1cccs1)c1ccc(Cl)s1
AtomNum,"The molecule is composed of 13 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COc1ccc(OCC(=O)C([NH3+])C(C)C)cc1
BondNum,"There is a molecule with 7 single bonds, 2 double bonds, 1 triple bond, 2 rotatable bonds, and 11 aromatic bonds.",C#CCCN1C(=O)c2cccc3cccc(c23)C1=O
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 halo group.",COc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1Cl
AddComponent,Modify the molecule C=CC1OCCCC1NC(=O)N1CCC(C)(C)S(=O)(=O)CC1 by adding a benzene ring.,C=CC1OCCCC1NC(=O)N1CCC(C)(C)S(=O)(=O)CC1c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1csc(C2CCN(C(=O)c3cc4ccccc4o3)CC2)n1 with a nitro.,NC(=O)C(Cc1ccc(NO)cc1)NC(=O)c1csc(C2CCN(C(=O)c3cc4ccccc4o3)CC2)n1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(N2C([NH3+])=C(C#N)C3(C(=O)Nc4ccc(C)cc43)C3=C2CC(C)(C)CC3=O)cc1.,Cc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C([NH3+])N(C)C2=C1C(=O)CC(C)(C)C2
LogP,Please optimize the molecule Cc1nc2c(cc1-c1ccncc1)C(=Cc1cc(C(=O)c3ccc(Cl)cc3)cn1C)C(=O)N2 to have a higher LogP value.,Cc1ncc(Cc2cc(C(=O)c3ccc(Cl)cc3)cn2C)cc1-c1ccncc1
MR,Optimize the molecule Nc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1Br to have a lower MR value.,N#Cc1ccc(NS(=O)(=O)c2ccc(N)c(Br)c2)cc1Cl
QED,Please optimize the molecule c1ccc(CCCN=c2ssc3ncccc23)cc1 to have a higher QED value.,O=C(O)c1cccc(CCCN=c2ssc3ncccc23)c1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",O=C(c1ccc2nsnc2c1)N1CCCC(Cc2nc(C3CC3)no2)C1
BondNum,"The molecule is composed of 9 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(OCCOc2cccc(C(=O)NN)c2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, and 2 halo groups.",OC(C[NH2+]Cc1ccoc1)c1cc(F)ccc1F
AddComponent,Modify the molecule CCC1(CC)CCN(C(=O)n2cc[n+](C)c2)C1 by adding a carboxyl.,CCC1(C(C)C(=O)O)CCN(C(=O)n2cc[n+](C)c2)C1
SubComponent,Please substitute a Cc1ccc(-c2cc(C(=O)NCC(C)(O)c3ccco3)[nH]n2)cc1 in the molecule hydroxyl with a nitrile.,Cc1ccc(-c2cc(C(=O)NCC(C)(C#N)c3ccco3)[nH]n2)cc1
DelComponent,Please remove a halo from the molecule O=C(NC(Cc1ccc(OCCCCCBr)cc1)C(=O)[O-])OCc1ccccc1.,CCCCCOc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)[O-])cc1
LogP,Please modify the molecule CCS(=O)(=O)CCNCC(Cl)=CCl to decrease its LogP value.,CCS(=O)(=O)CCNCC=CCl
MR,Please modify the molecule COc1ccc(CC(NC(=O)OC2COC3OCCC23)C(O)CN(N)Cc2ccc(-c3nc(C(C)(C)C)cs3)cc2)cc1 to increase its MR value.,COc1ccc(CC(NC(=O)OC2C(O)OC3OCCC32)C(O)CN(N)Cc2ccc(-c3nc(C(C)(C)C)cs3)cc2)cc1
QED,Modify the molecule N#Cc1cnc2c(Cl)cc(NC(c3cn[nH]n3)c3ccccc3C(F)(F)F)cc2c1Nc1cnc(F)c(F)c1 to increase its QED value.,N#Cc1cnc2c(Cl)cc(NC(c3cn[nH]n3)c3ccccc3C(F)(F)F)cc2c1Nc1ccc(F)nc1
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",[NH3+]Cc1ccc(C(=O)c2cccc(C(F)(F)F)c2)o1
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 8 rotatable bonds, and 6 aromatic bonds.",CCCN(c1cc(OC)ccc1OC)C(CC)C(=O)[O-]
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 1 ester group.",CCC1(C(=O)OC)CCC[NH+]1Cc1cccc(OCCc2nc(-c3ccc(C)cc3)oc2C)c1
AddComponent,Modify the molecule Nc1ccc(O)cc1NC(=O)CCc1ccco1 by adding a hydroxyl.,Nc1cc(O)c(O)cc1NC(=O)CCc1ccco1
SubComponent,Please substitute a O=C(NCc1cccnc1)c1cccc(Br)n1 in the molecule halo with a thiol.,O=C(NCc1cccnc1)c1cccc(S)n1
DelComponent,Remove a halo from the molecule CCCCOC(=O)N1CCN(c2nccnc2OCCOc2nccnc2Cl)CC1.,CCCCOC(=O)N1CCN(c2nccnc2OCCOc2cnccn2)CC1
LogP,Modify the molecule [NH3+]Cc1ccc(S(=O)(=O)F)cc1 to decrease its LogP value.,[NH3+]Cc1ccc(S(=O)(=O)NO)cc1
MR,Modify the molecule CCN(CC(C)C#N)C(=O)C1(C)CC[NH2+]C1 to increase its MR value.,CCN(CC(C)Br)C(=O)C1(C)CC[NH2+]C1
QED,Please optimize the molecule C[NH2+]C(c1ccc(F)c(F)c1)c1cc2c(s1)CCSC2 to have a lower QED value.,C[NH2+]C(c1ccc(S)c(F)c1)c1cc2c(s1)CCSC2
AtomNum,"Please generate a molecule with 11 carbon atoms, 3 nitrogen atoms, and 1 bromine atom.",Brc1ccc(NNc2ccccc2)nc1
BondNum,"Please generate a molecule composed of 9 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)CCCNc1nc(Cl)ncc1N
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 3 ester groups, and 1 sulfone group.",CS(=O)(=O)OC1C(OC(=O)c2ccccc2)OC(COC(=O)c2ccccc2)C1OC(=O)c1ccccc1
AddComponent,Add a thiol to the molecule CC(C)(C)c1cc(NC(=O)c2csc(N)n2)n[nH]1.,CC(C)(CS)c1cc(NC(=O)c2csc(N)n2)n[nH]1
SubComponent,Modify the molecule Nc1cc(F)cnc1N1CCCCC1 by substituting a halo with a carboxyl.,Nc1cc(C(=O)[OH])cnc1N1CCCCC1
DelComponent,Modify the molecule benzene ring by removing a CN(C)S(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)c2cc(F)ccc2S3)cc1.,CN(C)S(=O)(=O)CCNC(=O)c1ccc2c(c1)NC(=O)c1cc(F)ccc1S2
LogP,Please optimize the molecule COC(=O)c1cc(N)cc(CCC(F)(F)F)[nH+]1 to have a higher LogP value.,COC(=O)c1cccc(CCC(F)(F)F)[nH+]1
MR,Please modify the molecule CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl to increase its MR value.,CC(=O)c1ccccc1CSc1nnc(Cc2ccccc2)n1CC(C)C
QED,Optimize the molecule COc1ccc(-c2ocnc2C(=O)N2CC3CC3C2C[NH3+])cc1 to have a lower QED value.,COc1ocnc1C(=O)N1CC2CC2C1C[NH3+]
AtomNum,"There is a molecule composed of 46 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",c1ccc(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc7c6sc6ccccc67)c5cc43)nc(-c3ccccc3)n2)cc1
BondNum,"There is a molecule consisting of 14 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC1CCN(c2ccc(C=NNC(N)=S)cc2[N+](=O)[O-])CC1
FunctionalGroup,The molecule has and 1 benzene ring group.,CC1CC(C)C(C)N(C(C)(C[NH3+])Cc2ccccc2)C1
AddComponent,Modify the molecule C[NH+]1CCN(c2nc(C3=CCC[NH+](C)C3)c(Cl)s2)CC1 by adding a hydroxyl.,C[NH+]1CCC=C(c2nc(N3CC[NH+](C)C(O)C3)sc2Cl)C1
SubComponent,Please substitute a halo in the molecule CCc1ccc(-c2c(C#N)c(N)nc(SC3CC(=O)N(c4ccc(C(=O)OCC(=O)c5ccc(Cl)cc5Cl)cc4)C3=O)c2C#N)cc1 with a aldehyde.,CC(=O)c1ccc(C(=O)COC(=O)c2ccc(N3C(=O)CC(Sc4nc(N)c(C#N)c(-c5ccc(CC)cc5)c4C#N)C3=O)cc2)c(Cl)c1
DelComponent,Please remove a halo from the molecule O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1.,O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1
LogP,Optimize the molecule Cc1[nH]nc(NC(=O)C2CCOc3ccccc32)c1N to have a higher LogP value.,Cc1cc(NC(=O)C2CCOc3ccccc32)n[nH]1
MR,Please optimize the molecule Cc1ccc(C(NN)c2ccc(Cl)c(Cl)c2)s1 to have a lower MR value.,Cc1ccc(C(Cl)(Cl)NN)s1
QED,Please optimize the molecule COc1cc(C2C3=CCC4C(=O)NC(=O)C4C3CC3=C2C(=O)C=C(C)C3=O)cc(Cl)c1O to have a higher QED value.,COc1cc(Cl)cc(C2C3=CCC4C(=O)NC(=O)C4C3CC3=C2C(=O)C=C(C)C3=O)c1
AtomNum,"The molecule is composed of 9 carbon atoms, and 2 nitrogen atoms.",CC(CC[NH3+])[NH2+]CCC1CC1
BondNum,"The molecule contains 20 single bonds, 1 double bond, 6 rotatable bonds, and 16 aromatic bonds.",COc1c(-c2ccc(C(C)CNC(=O)OC(C)(C)C)cc2)ccc2nn(C3CCCCO3)cc12
FunctionalGroup,"There is a molecule consisting of 4 benzene ring groups, and 7 amide groups.",CC(C)(C)OC(=O)NCCOCCNC(=O)C1CCN(C(=O)c2cccc(=O)n2OCc2ccccc2)CCCCN(C(=O)c2cccc(=O)n2OCc2ccccc2)CCCNC(=O)c2ccc(n(OCc3ccccc3)c2=O)C(=O)NCCNC(=O)c2ccc(c(=O)n2OCc2ccccc2)C(=O)N1
AddComponent,Please add a amine to the molecule CCOCCC(=O)C(C#N)c1ccccc1C.,CCOCCC(=O)C(N)(C#N)c1ccccc1C
SubComponent,Substitute a halo in the molecule CCC(NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 with a hydroxyl.,CCC(NC(=O)CN(c1ccc(O)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2
DelComponent,Modify the molecule amide by removing a [NH3+]C1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)C1.,[NH3+]C1CC(c2csc(Cc3ccccc3)n2)C1
LogP,Please optimize the molecule CC(C)c1nc(Br)cc(Nc2cc(Cl)ccc2F)n1 to have a lower LogP value.,CC(C)c1nc(Br)cc(Nc2cccc(Cl)c2)n1
MR,Please modify the molecule CC[NH+](CCC(=O)[O-])Cc1ncc(-c2ccccc2)o1 to decrease its MR value.,CC[NH+](CCC(=O)[O-])Cc1ncco1
QED,Optimize the molecule Cc1cccc(C(NC(=O)c2scc3c2OCCO3)C(=O)[O-])c1 to have a lower QED value.,Cc1cccc(C(NC(=O)c2scc3c2OCC(N)O3)C(=O)[O-])c1
AtomNum,"The molecule consists of 15 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2s1
BondNum,"There is a molecule with 9 single bonds, 6 rotatable bonds, and 17 aromatic bonds.",CCOc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1OCC
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, and 1 hydroxyl group.",Cc1ccc(C(CC(=NO)c2c[nH]c(=O)c(C)c2)c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)cc1
AddComponent,Modify the molecule O=C(Nc1ccc2c(c1)C(=O)CC2)NC1CCCCC1 by adding a amine.,Nc1cc(NC(=O)NC2CCCCC2)cc2c1CCC2=O
SubComponent,Modify the molecule hydroxyl by substituting a CC1(C)CCCC2(C)C1CCCC2(O)C=CSc1ccccc1 with a nitrile.,CC1(C)CCCC2(C)C1CCCC2(C#N)C=CSc1ccccc1
DelComponent,Please remove a OCC1(O)CCN(C2C[NH2+]C2)C1 from the molecule hydroxyl.,CC1(O)CCN(C2C[NH2+]C2)C1
LogP,Modify the molecule CN1CCC2(CCC1=O)CC[NH+](Cc1cncs1)CC2 to increase its LogP value.,CC1CC2(CC[NH+](Cc3cncs3)CC2)C1
MR,Please optimize the molecule CCN(CC)C(=O)c1cccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCCC(C)C4)ccc3Cl)CC2)c1C to have a lower MR value.,CCN(CC)C(=O)N(C)C(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)N3CCCC(C)C3)ccc2Cl)CC1
QED,Optimize the molecule N#Cc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 to have a lower QED value.,N#Cc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)c(O)c2)c1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COc1ccc(O)c(C2=NCCSC(c3c([O-])cc(C)oc3=O)C2)c1
BondNum,"The molecule has 41 single bonds, and 12 rotatable bonds.",CC(C)(C)[Si](C)(C)OC(O)C(O)(O[Si](C)(C)C(C)(C)C)C(O)(O[Si](C)(C)C(C)(C)C)C(O)(CO)O[Si](C)(C)C(C)(C)C
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 ketone group.",O=C(c1cccc2ncn(-c3ccccc3)c12)C1CC1
AddComponent,Add a amine to the molecule COc1ccc(-c2noc(C[NH+]3CCCC(C(=O)NC(C)c4ccc(C)c(C)c4)C3)n2)cc1.,COc1ccc(-c2noc(C[NH+]3CC(N)CC(C(=O)NC(C)c4ccc(C)c(C)c4)C3)n2)cc1
SubComponent,Substitute a hydroxyl in the molecule CC12OC3OC(CO)C(O)C(O1)C3O2 with a halo.,CC12OC3OC(CCl)C(O)C(O1)C3O2
DelComponent,Please remove a CC(C)N(CCC[NH3+])c1ccc(C(F)(F)F)cc1 from the molecule benzene ring.,CC(C)N(CCC[NH3+])C(F)(F)F
LogP,Please modify the molecule COc1ccc(-c2ccc(C(=O)[O-])c(NC(=O)c3ccccc3)c2)cc1Cl to decrease its LogP value.,COc1ccc(-c2ccc(C(=O)[O-])c(NC(=O)c3ccccc3)c2)cc1
MR,Please optimize the molecule CCn1cnc(S(=O)(=O)NC2(CO)CCCC2)c1 to have a higher MR value.,CCn1cnc(S(=O)(=O)NC2(CNO)CCCC2)c1
QED,Modify the molecule CC(=O)OC(C1C(=O)NC1SC(c1ccccc1)(c1ccccc1)c1ccccc1)C1(C)N=NN=N1 to have a higher QED value.,CC(=O)OC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C1(C)N=NN=N1
AtomNum,"The molecule consists of 24 carbon atoms, 5 oxygen atoms, and 5 nitrogen atoms.",COc1ccc(C(=O)N2CCC(NC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1[N+](=O)[O-]
BondNum,"The molecule consists of 10 single bonds, 4 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C([O-])C[NH+]=C1NC(=S)SC1=Cc1ccc(Cl)cc1
FunctionalGroup,Please generate a molecule consisting and 1 nitro group.,CCCCOc1ccc2ccncc2c1[N+](=O)[O-]
AddComponent,Please add a benzene ring to the molecule Cc1nn(C)c(C)c1-c1ccc(-c2cnn3cccc(C#CC(C)(C)O)c23)cc1.,Cc1nn(C)c(C)c1-c1ccc(-c2cnn3cc(-c4ccccc4)cc(C#CC(C)(C)O)c23)cc1
SubComponent,Modify the molecule CCCN(CC(C)CO)CC(F)(F)F by substituting a halo with a thiol.,CCCN(CC(C)CO)CC(F)(F)S
DelComponent,Please remove a Cc1ccc(S(=O)(=O)Nc2ccc(Cc3ccccc3C(=O)[O-])cc2)cc1 from the molecule benzene ring.,Cc1ccc(S(=O)(=O)NCc2ccccc2C(=O)[O-])cc1
LogP,Please optimize the molecule CCN(C(=O)CN(C(C)=O)c1ccccc1)C1CCS(=O)(=O)C1 to have a higher LogP value.,CCN(C(=O)Cc1ccccc1)C1CCS(=O)(=O)C1
MR,Optimize the molecule O=C(COc1ccc(Oc2ccccc2)cc1)NCCn1nc(-c2cccs2)ccc1=O to have a lower MR value.,O=c1ccc(-c2cccs2)nn1CCOc1ccc(Oc2ccccc2)cc1
QED,Optimize the molecule CCCCOc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 to have a higher QED value.,CCCCOc1nc2c(c(Nc3ccc(C(O)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2
AtomNum,"There is a molecule composed of 38 carbon atoms, 6 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",COc1ccc(C(=O)NC2CCCCC2)cc1NC(=O)C(C)NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)N3CCC(C)CC3)ccc2Cl)CC1
BondNum,"The molecule consists of 10 single bonds, and 7 rotatable bonds.",CCCCC(C)OCCCO
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, 1 amide group, 3 halo groups, and 1 sulfone group.",Cc1[nH+]c(S(=O)(=O)N2CCC(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2)cn1C
AddComponent,Modify the molecule C[NH2+]Cc1cn(S(=O)(=O)c2ccc3c(c2)OCCO3)c(-c2ccccc2)c1C by adding a carboxyl.,C[NH2+]Cc1cn(S(=O)(=O)c2ccc3c(c2)OCCO3)c(-c2ccccc2)c1CC(=O)O
SubComponent,Substitute a halo in the molecule Cn1c(N2CCCC(C(=O)c3ccc(F)cc3)C2)nc(-c2ccncn2)cc1=O with a hydroxyl.,Cn1c(N2CCCC(C(=O)c3ccc(O)cc3)C2)nc(-c2ccncn2)cc1=O
DelComponent,Remove a halo from the molecule [NH3+]C1(CCC2(Cl)CCCC2)CCCCC1.,[NH3+]C1(CCC2CCCC2)CCCCC1
LogP,Modify the molecule COCCCNC(=O)Cn1ccnc1C[NH2+]C1CC1 to increase its LogP value.,COCCCNC(=O)Cn1ccnc1C[NH2+]C1(c2ccccc2)CC1
MR,Modify the molecule c1ccc2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)cc43)ccc2c1 to increase its MR value.,Oc1ccc2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)cc3n(-c3ccc4ccccc4c3)c2c1
QED,Optimize the molecule CCC(C)C(NC(=O)C(CO)NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(CCC(=O)[O-])C(=O)[O-] to have a lower QED value.,CCC(C)C(NC(=O)C(CNO)NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(CCC(=O)[O-])C(=O)[O-]
AtomNum,"Please generate a molecule composed of 18 carbon atoms, and 2 nitrogen atoms.",Cc1cc(C)c2c(c1)N1Cc3c(C)cc(C)cc3N1C2
BondNum,"The molecule has 14 single bonds, 4 rotatable bonds, and 22 aromatic bonds.",COc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5[nH]ncc5c4)n1)CC[NH2+]C3)C2
FunctionalGroup,There is a molecule composed of and 1 hydroxyl group.,CCCNC(=O)NCC(C)(C)CCCO
AddComponent,Modify the molecule CCC(C)C(NC(=O)CCC(C)(C)C(=O)[O-])C(=O)NCC(=O)N1c2ccccc2CC1C(=O)NCc1nn[n-]n1 by adding a benzene ring.,CCC(C)C(NC(=O)CCC(C)(C)C(=O)[O-])C(=O)NC(C(=O)N1c2ccccc2CC1C(=O)NCc1nn[n-]n1)c1ccccc1
SubComponent,Please substitute a Cn1ccnc1C(O)C1CCCN(C(=O)c2cc3occc3[nH]2)C1 in the molecule hydroxyl with a nitro.,Cn1ccnc1C(NO)C1CCCN(C(=O)c2cc3occc3[nH]2)C1
DelComponent,Remove a COc1ccc(CCNC(=O)C(CC(C)C)n2cccc2)cc1 from the molecule amide.,COc1ccc(CCC(C(C)C)n2cccc2)cc1
LogP,Modify the molecule CC1(CONC(=Cn2cncn2)c2ccc(Cl)cc2Cl)CC1(Cl)Cl to have a lower LogP value.,NCC1(CONC(=Cn2cncn2)c2ccc(Cl)cc2Cl)CC1(Cl)Cl
MR,Please optimize the molecule O=C(CNc1ccccc1NC(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 to have a higher MR value.,O=C(CNc1cccc(-c2ccccc2)c1NC(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1
QED,Please modify the molecule CC1CCCN1C(=O)C[NH+](CC(=O)N1CCCC1C#N)C12CC3CC(CC(O)(C3)C1)C2 to decrease its QED value.,CC1CCCN1C(=O)C[NH+](CC(=O)N1CCCC1Br)C12CC3CC(CC(O)(C3)C1)C2
AtomNum,"There is a molecule composed of 27 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1
BondNum,"Please generate a molecule with 10 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CCSCCC(Cc1cccc(Cl)c1)C(=O)[O-]
FunctionalGroup,"There is a molecule composed of 1 amide group, and 1 nitro group.",CONC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21
AddComponent,Modify the molecule CCC[NH2+]Cc1ccn(-c2cc([N+](=O)[O-])ccc2OC)n1 by adding a amine.,CCC[NH2+]Cc1cc(N)n(-c2cc([N+](=O)[O-])ccc2OC)n1
SubComponent,Please substitute a halo in the molecule CC(C)(C)c1nc(SCCC(=O)Nc2ccccc2Cl)n[nH]1 with a hydroxyl.,CC(C)(C)c1nc(SCCC(=O)Nc2ccccc2O)n[nH]1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc2cc(Cc3ccccc3)cc(CCNC(C)=O)c2c1.,COc1ccc2cc(C)cc(CCNC(C)=O)c2c1
LogP,Modify the molecule O=C([O-])c1ccc(N2CC3CCC(C2)O3)c(F)c1Br to decrease its LogP value.,N#Cc1c(N2CC3CCC(C2)O3)ccc(C(=O)[O-])c1Br
MR,Modify the molecule CC1CCC(NC(=O)CSc2ncn(-c3ccccc3)n2)CC1 to have a lower MR value.,CC1CCC(Sc2ncn(-c3ccccc3)n2)CC1
QED,Please optimize the molecule CNC(=O)c1cccc(-c2noc(C3CN(C(=O)CSc4nc5ccccc5s4)C3)n2)c1 to have a higher QED value.,CNC(=O)c1noc(C2CN(C(=O)CSc3nc4ccccc4s3)C2)n1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCc1ccc(CC(C#N)N2CCOCC2)cc1
BondNum,"There is a molecule composed of 20 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1cc(C(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)cc(OC)c1OC
FunctionalGroup,"Please generate a molecule consisting 1 amine group, 1 halo group, and 1 sulfone group.",CCC1(CNS(=O)(=O)c2ccc(Cl)nc2)CC1
AddComponent,Add a carboxyl to the molecule Brc1ccc(C[NH2+]C2CC2)c(N2CCCCCCC2)c1.,O=C(O)C1CC1[NH2+]Cc1ccc(Br)cc1N1CCCCCCC1
SubComponent,Substitute a halo in the molecule CC1(O)CCN(C(=O)c2ccc(C=CC(=O)[O-])c(Cl)c2)C1 with a hydroxyl.,CC1(O)CCN(C(=O)c2ccc(C=CC(=O)[O-])c(O)c2)C1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(C(=O)CCNC(=O)N2CCC(Cc3ccccc3)CC2)cc1.,CC(=O)CCNC(=O)N1CCC(Cc2ccccc2)CC1
LogP,Modify the molecule N#Cc1cc([N+](=O)[O-])cnc1N1CCc2[nH]c3ccc(Br)cc3c2C1 to decrease its LogP value.,O=C([OH])c1cc([N+](=O)[O-])cnc1N1CCc2[nH]c3ccc(Br)cc3c2C1
MR,Optimize the molecule Cc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c(C)c1 to have a higher MR value.,Cc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2c(Cc3ccccc3)nn(-c3ccccc3)c2C)c(C)c1
QED,Please optimize the molecule c1ccc(CC2([NH+]3CCCCC3)CN3CCC2CC3)cc1 to have a lower QED value.,CC1([NH+]2CCCCC2)CN2CCC1CC2
AtomNum,"There is a molecule consisting of 39 carbon atoms, 3 oxygen atoms, 8 nitrogen atoms, 1 sulfur atom, 7 fluorine atoms, and 1 chlorine atom.",Cn1nc(NS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(C#CC4CCC[NH2+]C4)nc3C(Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)C3CC43)c21
BondNum,"Please generate a molecule with 8 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",CC(C)n1cc(NCc2cc(F)ccc2Br)cn1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amine group, 1 nitro group, and 3 halo groups.",O=[N+]([O-])c1ccc(CNc2cccc(Cl)c2Br)c(Br)c1
AddComponent,Please add a benzene ring to the molecule CCC[NH2+]C(c1ncc(Cl)cc1Cl)c1nccn1CC.,CCC[NH2+]C(c1ncc(Cl)cc1Cl)c1nccn1CCc1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CCCCOc1ccc(C(CO)CC#N)cc1 with a thiol.,CCCCOc1ccc(C(CS)CC#N)cc1
DelComponent,Remove a halo from the molecule Cc1cc(C)cc(N(C)CC(=O)Cc2ccccc2F)c1.,Cc1cc(C)cc(N(C)CC(=O)Cc2ccccc2)c1
LogP,Optimize the molecule [C-]#[N+]C1=CC2(C)C(CCC3(C)C2CC(=O)C2C4CC(C)(C)CCC4(CCCC(F)(F)F)CCC23C)C(C)(C)C1=O to have a lower LogP value.,[C-]#[N+]C1=CC2(C)C(CCC3(C)C2CC(=O)C2C4CC(C)(C)CCC4(CCCC(F)(F)C(=O)[OH])CCC23C)C(C)(C)C1=O
MR,Please optimize the molecule C#CCN(Cc1ccc2[nH]c(N)nc(=O)c2c1)c1ccc(C(C)C=NO)cc1 to have a higher MR value.,C#CCN(Cc1ccc2[nH]c(N)nc(=O)c2c1)c1ccc(C(C)C=NO)c(-c2ccccc2)c1
QED,Please optimize the molecule COc1cccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)c1 to have a lower QED value.,COc1cccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)C(O)C2)c1
AtomNum,"There is a molecule composed of 29 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, 2 sulfur atoms, 1 fluorine atom, and 2 chlorine atoms.",O=C(c1csc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2Cl)n1)N1CCN(c2ccccc2F)CC1
BondNum,"There is a molecule composed of 11 single bonds, 2 rotatable bonds, and 10 aromatic bonds.",c1nc2nc(C3CC3)cc(N3CC[NH2+]CC3)n2n1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 hydroxyl group.",CCCOc1cncc(C(O)Cc2cccc(C)c2)c1
AddComponent,Add a amine to the molecule O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCOc2cc(F)ccc21.,NC1COc2cc(F)ccc2N1C(=O)C1=NN(c2ccccc2)C(=O)CC1
SubComponent,Please substitute a OC(C[NH2+]CCc1ncno1)c1ccccc1 in the molecule hydroxyl with a thiol.,SC(C[NH2+]CCc1ncno1)c1ccccc1
DelComponent,Modify the molecule halo by removing a CC(Cl)c1nc2ccccc2n1CC1CCOCC1.,CCc1nc2ccccc2n1CC1CCOCC1
LogP,Modify the molecule Cc1ccnc(N2CCCC(=O)C2)c1C#N to increase its LogP value.,Cc1ccnc(N2CCCC(=O)C2)c1
MR,Optimize the molecule C=CCCc1ccncc1-c1cccc(-c2cc3nc(C)c(C(OC(C)(C)C)C(=O)[O-])c(N4CCC(C)(CCC=C)CC4)n3n2)c1 to have a lower MR value.,C=CCCc1ccncc1-c1cc2nc(C)c(C(OC(C)(C)C)C(=O)[O-])c(N3CCC(C)(CCC=C)CC3)n2n1
QED,Please modify the molecule Fc1c(-c2cncc(CN3CCC(F)(F)C3)c2)ncc2[nH]nc(-c3nc4c(-c5cccnc5)nccc4[nH]3)c12 to decrease its QED value.,O=C([OH])c1c(-c2cncc(CN3CCC(F)(F)C3)c2)ncc2[nH]nc(-c3nc4c(-c5cccnc5)nccc4[nH]3)c12
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",Cc1nc(N2CCCC2c2nc(CO)co2)c2ccncc2n1
BondNum,"The molecule has 10 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CNC(=O)C(C)CN(C)C(=O)c1ccc(Br)cc1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 ketone group, 3 ester groups, 2 amine groups, 2 halo groups, and 1 sulfone group.",CC(C(=O)c1cccc(Cl)c1)N(C(=O)OCOC(=O)C(=O)OCCCCCCOC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NCc1ccco1)C(C)(C)C
AddComponent,Add a hydroxyl to the molecule COc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1.,COc1cccc(Nc2ncnc(Nc3c(O)cc(Cl)cc3Cl)c2[N+](=O)[O-])c1
SubComponent,Please substitute a halo in the molecule CC(c1cc(Br)cs1)N1CCCCC1C1CCC[NH2+]1 with a thiol.,CC(c1cc(S)cs1)N1CCCCC1C1CCC[NH2+]1
DelComponent,Remove a amine from the molecule CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2C1c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1.,CCOc1ccccc1NC(=O)C1=C(C)c2ncnn2C1c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1
LogP,Modify the molecule CCC(F)(CC(C)(C)C(=O)OC(C)(O)C(F)(F)F)C(=O)OC(C)(C)C(C)C to have a lower LogP value.,CCC(CC(C)(C)C(=O)OC(C)(O)C(F)(F)F)(C(=O)[OH])C(=O)OC(C)(C)C(C)C
MR,Please optimize the molecule CC1=C(O)C(=O)N(c2ccc3nc[nH]c3c2)C1c1ccccc1F to have a lower MR value.,CC1=C(O)C(=O)N(c2ccc3nc[nH]c3c2)C1F
QED,Please modify the molecule COc1ccc(S(=O)(=O)N(CC#N)c2cccc(C(=CC(=O)NO)c3cccnc3)c2)cc1 to increase its QED value.,COc1ccc(S(=O)(=O)N(CC#N)c2cccc(C(=CC(=O)NBr)c3cccnc3)c2)cc1
AtomNum,"There is a molecule composed of 20 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)C(=O)N1C(c2ccccn2)=[NH+]C2C1C1CCC2(C)C1(C)C
BondNum,"Please generate a molecule composed of 12 single bonds, 1 triple bond, and 3 rotatable bonds.",CC(C)[Si](C#CC[NH3+])(C(C)C)C(C)C
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 2 amide groups.",COc1ccc(C(=O)N2CCOC(CN(CC3CC3)C(=O)c3ccc(C)cc3)C2)cc1OC
AddComponent,Modify the molecule CN(CC(=O)N1CCSCC1c1cnn(C)c1)C1CCS(=O)(=O)C1 by adding a benzene ring.,CN(CC(=O)N1CCSCC1c1cnn(C)c1)C1CS(=O)(=O)CC1c1ccccc1
SubComponent,Please substitute a Cc1nc(Cl)sc1S(=O)(=O)NC1CCCCC1(C)C in the molecule halo with a aldehyde.,CC(=O)c1nc(C)c(S(=O)(=O)NC2CCCCC2(C)C)s1
DelComponent,Modify the molecule [N-]=[N+]=NCCCS(=O)c1cccc(F)c1 by removing a benzene ring.,[N-]=[N+]=NCCCS(=O)F
LogP,Optimize the molecule Cc1c(F)cc(Cl)c(O)c1-c1cc(N)on1 to have a higher LogP value.,CC(=O)c1c(Cl)cc(F)c(C)c1-c1cc(N)on1
MR,Modify the molecule CC(C)C(=O)N1CCN(C(=O)c2cnc(C3CCCC3)nc2N)CC1 to have a higher MR value.,CC(C)C(=O)N1CCN(C(=O)c2cnc(C3CCCC3)nc2N)C(N)C1
QED,Optimize the molecule CCCc1c(NN)ncnc1NCCc1csc(C)n1 to have a higher QED value.,CCCc1c(N)ncnc1NCCc1csc(C)n1
AtomNum,"The molecule contains 17 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COC(=O)c1c(CC(=O)N(C)Cc2cccs2)[nH]c(C(C)=O)c1C
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 4 rotatable bonds, and 22 aromatic bonds.",COc1ccc(-c2nc3ccc(NC(=O)c4ccc(F)cc4F)cn3c2C)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ketone group, and 1 amine group.",CC(=O)c1cccc(NC(=O)NCCCn2c(C)nc3c(N)nc(C)c(C)c32)c1
AddComponent,Add a hydroxyl to the molecule Cc1ccc(C(C)NC(=O)NCC(C)CC(C)O)o1.,Cc1ccc(C(C)(O)NC(=O)NCC(C)CC(C)O)o1
SubComponent,Substitute a halo in the molecule CC(CCl)(Nc1cnccn1)c1ccccc1 with a carboxyl.,CC(CC(=O)[OH])(Nc1cnccn1)c1ccccc1
DelComponent,Remove a CC(C)OC(=O)N1CCC([NH2+]C2CCS(=O)(=O)c3ccc(F)cc32)CC1 from the molecule halo.,CC(C)OC(=O)N1CCC([NH2+]C2CCS(=O)(=O)c3ccccc32)CC1
LogP,Optimize the molecule N#CC(=CC=Cc1ccccc1)c1nc2cc(F)c(F)cc2[nH]1 to have a lower LogP value.,N#CC(=CC=Cc1ccccc1)c1nc2ccc(F)cc2[nH]1
MR,Please modify the molecule CNc1nc(-c2cnn(-c3ccccc3)c2)nc(C)c1I to increase its MR value.,CNc1nc(-c2cn(-c3ccccc3)nc2O)nc(C)c1I
QED,Modify the molecule CSC1(C[NH2+]C(C)c2cc(O)cc(O)c2)CC1 to have a lower QED value.,CSC1(C[NH2+]C(C)c2cc(O)c(O)c(O)c2)CC1
AtomNum,"The molecule has 26 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 2 chlorine atoms.",CCS(=O)(=O)c1ccc(Cl)cc1Cn1c(=O)[nH]c2c(Cl)c(C[NH+]3CCCC(NC(C)=O)C3)c(C(F)(F)F)cc2c1=O
BondNum,"There is a molecule consisting of 68 single bonds, 13 double bonds, and 42 rotatable bonds.",CC(C)CC(NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)NC(C)C(=O)NC(CCCC[NH3+])C(=O)NC(CCC(=O)[O-])C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-]
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 hydroxyl group.",C=C(O)C1=CN(CC)c2ccc(Cc3ccccc3)cc2C1=C
AddComponent,Modify the molecule CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 by adding a benzene ring.,CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cc1-c1ccccc1
SubComponent,Substitute a CCCC(=O)Nc1ccc2oc(-c3ccc(Br)c(C)c3)nc2c1 in the molecule halo with a hydroxyl.,CCCC(=O)Nc1ccc2oc(-c3ccc(O)c(C)c3)nc2c1
DelComponent,Please remove a CC(C)C(Nc1ncc(C#N)cc1N)C(N)=O from the molecule amide.,CC(C)Nc1ncc(C#N)cc1N
LogP,Please optimize the molecule COc1ccc(C(=O)C[n+]2c(C)n(N)c3ccccc32)cc1 to have a lower LogP value.,COC(=O)C[n+]1c(C)n(N)c2ccccc21
MR,Optimize the molecule CC[NH+]1CCCC(n2cc(N)nn2)C1 to have a higher MR value.,CC[NH+]1CC(n2cc(N)nn2)CCC1O
QED,Please optimize the molecule CCC[NH2+]Cc1c(C)nn(C)c1Oc1cc(C)ccc1F to have a lower QED value.,CCC[NH2+]Cc1c(C)nn(C)c1Oc1cc(C)ccc1C(=O)[OH]
AtomNum,"The molecule is composed of 48 carbon atoms, and 18 oxygen atoms.",Cc1cc(-c2cc(C3=CC=C(C4OC(CO)C(O)C(O)C4(C)O)C(C)C3=O)cc(C3=CC=C(C4OC(CO)C(O)C(O)C4(C)O)C(C)C3=O)c2)ccc1OC1OC(CO)C(O)C(O)C1(C)O
BondNum,"There is a molecule with 13 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",C[NH2+]C(c1ccc(OC)cc1C)C1CCCC1C
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amine group, 1 nitro group, and 1 halo group.",COc1cc(F)ccc1NC(C)c1cccc([N+](=O)[O-])c1
AddComponent,Add a amine to the molecule COc1ccc(C(C)[NH2+]CC(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1Br.,COc1ccc(C(C)[NH2+]CC(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2N)cc1Br
SubComponent,Modify the molecule hydroxyl by substituting a CC(CO)[NH+](C)CCCOc1ccccc1C[NH3+] with a nitro.,CC(CNO)[NH+](C)CCCOc1ccccc1C[NH3+]
DelComponent,Remove a CCOC(=O)C([NH3+])CSCC(=O)N(CC)C1CC1 from the molecule amide.,CCOC(=O)C([NH3+])CSC(C)C1CC1
LogP,Optimize the molecule CC1C2OC3C(n4ccc(=O)[nH]c4=O)C3(C)C(F)C12O to have a lower LogP value.,CC1C2(O)OC3C(n4ccc(=O)[nH]c4=O)C3(C)C(F)C12O
MR,Please modify the molecule CCCCC(OCOC)C(C)=C1C(CO[Si](C)(C)C(C)(C)C)=CC2COC3(OC)[NH+]=C(N)C1(C#N)C23C#N to increase its MR value.,CCCCC(OCOC)C(C)=C1C(CO[Si](C)(C)C(C)(C)C)=C(CC=O)C2COC3(OC)[NH+]=C(N)C1(C#N)C23C#N
QED,Please optimize the molecule C[NH2+]CC1CCCN1CC(=O)NCCC1=CCCCC1 to have a higher QED value.,C[NH2+]CC1CCCN1CC(=O)NCCC1=CCCC(c2ccccc2)C1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",COc1cc2c(C)cn(CCO)c2cc1Cl
BondNum,"The molecule has 7 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",COc1ccc(NC(=O)c2sc(N)nc2C)cc1
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, and 4 halo groups.",OCc1cnc(C(F)F)c(I)c1Cl
AddComponent,Please add a benzene ring to the molecule CCNC(C)(C#N)CCCCn1ncc(Cl)c1C.,CCNC(C)(C#N)CCCCn1ncc(Cl)c1Cc1ccccc1
SubComponent,Please substitute a halo in the molecule C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc[nH]c(=O)c1 with a nitro.,C=CCN(Cc1ccc(NO)s1)C(=O)c1cc[nH]c(=O)c1
DelComponent,Remove a halo from the molecule CCc1[nH]c(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c[nH+]1.,CCc1[nH]c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c[nH+]1
LogP,Optimize the molecule C[NH+](Cc1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1 to have a lower LogP value.,C[NH+](Cc1ccc(C(=O)[OH])cc1)Cc1ccc(C(F)(F)F)cc1
MR,Modify the molecule CN(CC[NH+]1CCCC1)c1ccc(C[NH3+])cc1Cl to decrease its MR value.,CN(CC[NH+]1CCCC1)c1ccc(C[NH3+])cc1
QED,Modify the molecule N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 to decrease its QED value.,N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccc(N)cc3)n2)cc1
AtomNum,"There is a molecule with 11 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCS(=O)(=O)N1CC(c2nc(-c3cnccn3)no2)C1
BondNum,"The molecule has 12 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CC(C)C(C(=O)OCC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1
FunctionalGroup,There is a molecule consisting of and 1 aldehyde group.,O=Cc1cc(C2CC[NH2+]CC2)[nH]n1
AddComponent,Modify the molecule C[NH+]=C(NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)NCCc1ccccc1OC by adding a benzene ring.,C[NH+]=C(NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)NCC(c1ccccc1)c1ccccc1OC
SubComponent,Modify the molecule halo by substituting a COc1cc(I)cc2cc(CC(=O)[O-])sc12 with a thiol.,COc1cc(S)cc2cc(CC(=O)[O-])sc12
DelComponent,Modify the molecule hydroxyl by removing a CCCCCCCCc1ccc(O)c(CCCCCC)c1CCCCCCCC.,CCCCCCCCc1cccc(CCCCCC)c1CCCCCCCC
LogP,Optimize the molecule O=C(COc1ccccc1-c1ccccc1)Nc1nc2ccc(Cl)cc2s1 to have a lower LogP value.,N#Cc1ccc2nc(NC(=O)COc3ccccc3-c3ccccc3)sc2c1
MR,Please modify the molecule CCC(C)(O)CNc1ccc(Cl)cc1C#N to decrease its MR value.,CCC(C)(O)CNc1ccccc1C#N
QED,Modify the molecule CCOC(=O)C1C(C)=NC2=C(C(=O)CC(c3ccc(N(C)C)cc3)C2)C1c1ccco1 to increase its QED value.,CCOC(=O)C1C(C)=NC2=C(C(=O)CC(N(C)C)C2)C1c1ccco1
AtomNum,"Please generate a molecule composed of 9 carbon atoms, and 2 oxygen atoms.",CC1CCC(O)(CO)CC1C
BondNum,"There is a molecule composed of 5 single bonds, 1 triple bond, 3 rotatable bonds, and 17 aromatic bonds.",COc1nc(-c2ccco2)cc(-c2cccnc2)c1C#N
FunctionalGroup,"There is a molecule consisting of 1 amide group, 1 amine group, and 1 nitro group.",CC1N(C(=O)C2CC2)C=CC(N)C1(N1CCCC1)[N+](=O)[O-]
AddComponent,Add a benzene ring to the molecule Cc1nc(N2CCCC(C)C2C)ccc1C[NH2+]C1CC1.,Cc1nc(N2CC(c3ccccc3)CC(C)C2C)ccc1C[NH2+]C1CC1
SubComponent,Substitute a halo in the molecule CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3cncc(F)c3)CC2)CC1 with a thiol.,CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3cncc(S)c3)CC2)CC1
DelComponent,Please remove a hydroxyl from the molecule CC(O)CCC=CC(=O)OC(C)(C)C.,CCCCC=CC(=O)OC(C)(C)C
LogP,Please modify the molecule CC(C)C1CCC(C(NN)c2ccc(F)c(F)c2F)CC1 to increase its LogP value.,CC(C)C1CCC(C(N)c2ccc(F)c(F)c2F)CC1
MR,Please optimize the molecule CSCC1CSC(C(F)(F)F)=N1 to have a higher MR value.,O=CCCSCC1CSC(C(F)(F)F)=N1
QED,Please optimize the molecule CC(O)C(C)NC(=O)c1c(Br)nnn1C to have a lower QED value.,CC(NC(=O)c1c(Br)nnn1C)C(C)(O)O
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",Nc1cccc2c1CCCN2C(=O)C1CC(=O)N(c2cc(F)cc(F)c2)C1
BondNum,"There is a molecule with 13 single bonds, 3 double bonds, 10 rotatable bonds, and 5 aromatic bonds.",CCCCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, and 6 halo groups.",CCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1
AddComponent,Modify the molecule COc1cc2c(cc1S(N)(=O)=O)CCN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2 by adding a hydroxyl.,NS(=O)(=O)c1cc2c(cc1OCO)CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)CC2
SubComponent,Modify the molecule CCOc1ccc(N2CC=CC3(C)SC45C=CCN(C(C)C)C(=O)C4N(CCCCCCO)C(=O)C5C3C2=O)cc1 by substituting a hydroxyl with a nitro.,CCOc1ccc(N2CC=CC3(C)SC45C=CCN(C(C)C)C(=O)C4N(CCCCCCNO)C(=O)C5C3C2=O)cc1
DelComponent,Remove a hydroxyl from the molecule CC1=CC(C)C(C(C)=Cc2coc(C)n2)OC(=O)CC(O)C(C)(C)C(=O)C(C)C(O)C(C)CCC1.,CC1=CC(C)C(C(C)=Cc2coc(C)n2)OC(=O)CCC(C)(C)C(=O)C(C)C(O)C(C)CCC1
LogP,Please optimize the molecule COCCN(CCCc1ccccc1)C(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 to have a higher LogP value.,COCCN(CCC(c1ccccc1)c1ccccc1)C(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1
MR,Modify the molecule C1=Cc2c(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)ccc3c2C2C1=CC=C(N(c1ccccc1)c1ccc4ccccc4c1)C2C=C3 to have a lower MR value.,C1=Cc2c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc3c2C2C1=CC=C(N(c1ccccc1)c1ccc4ccccc4c1)C2C=C3
QED,Please modify the molecule Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)c(C#CCO)c1 to increase its QED value.,Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)c(C#CCC(=O)[OH])c1
AtomNum,"There is a molecule with 23 carbon atoms, 5 oxygen atoms, and 1 sulfur atom.",CCSC1OC(COCc2ccccc2)C(O)C(OC)C1OCc1ccccc1
BondNum,"The molecule consists of 19 single bonds, 4 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)N1CCN(C(=O)COC(=O)C=Cc2cc(Br)ccc2OC)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amide group.",Cc1ccc(C(=O)N2CC(c3nnc(C(C)C)o3)C3(CCOCC3)C2)cc1C
AddComponent,Add a amine to the molecule COc1ccccc1-n1c(-c2ccccc2)c[nH+]c1SCC(=O)Nc1sccc1C(N)=O.,COc1ccc(N)cc1-n1c(-c2ccccc2)c[nH+]c1SCC(=O)Nc1sccc1C(N)=O
SubComponent,Substitute a halo in the molecule COC(=O)C(C)Oc1cc(S(=O)(=O)Cl)ccc1C with a thiol.,COC(=O)C(C)Oc1cc(S(=O)(=O)S)ccc1C
DelComponent,Remove a halo from the molecule Cc1nc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)sc1C.,Cc1nc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc1C
LogP,Please optimize the molecule CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1 to have a higher LogP value.,CCC1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1
MR,Modify the molecule Cc1cc(C[NH2+]C(C)CC(C)Br)c2ccccc2n1 to have a higher MR value.,CC(=O)C(C)CC(C)[NH2+]Cc1cc(C)nc2ccccc12
QED,Modify the molecule CCCc1ccc(CCCC(=O)NCCCC(=O)[O-])cc1 to decrease its QED value.,CCCc1ccc(CCCCCC(=O)[O-])cc1
AtomNum,"The molecule has 15 carbon atoms, 2 oxygen atoms, and 2 sulfur atoms.",COC(=O)c1ccccc1SCSc1ccccc1
BondNum,"Please generate a molecule consisting 16 single bonds, 2 double bonds, and 5 rotatable bonds.",CS(=O)(=O)C1CCCC(C(O)C[NH2+]C2CC2)C1
FunctionalGroup,There is a molecule composed of and 2 halo groups.,[NH3+]CC(C(=O)[O-])c1cc2c(cc1C(F)F)OCCO2
AddComponent,Add a hydroxyl to the molecule CCCOc1ccc(C2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccc(CC)cc2)cc1.,CCCOc1ccc(C2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccc(CC)cc2)cc1O
SubComponent,Modify the molecule hydroxyl by substituting a O=C([O-])N1CCCc2ccc(O)cc2C1 with a thiol.,O=C([O-])N1CCCc2ccc(S)cc2C1
DelComponent,Please remove a benzene ring from the molecule CCOC=C(C(=O)OCC)C(=O)c1ccccc1[N+](=O)[O-].,CCOC=C(C(=O)OCC)C(=O)[N+](=O)[O-]
LogP,Modify the molecule Cc1[nH]c(-c2cncnc2-c2ccc(Cl)cc2Cl)c[nH+]1 to decrease its LogP value.,Cc1[nH]c(-c2cncnc2-c2ccc(O)cc2Cl)c[nH+]1
MR,Please modify the molecule CCC(CO)(Cc1ccc(F)c(Cl)c1)c1ccccc1 to decrease its MR value.,CCC(CO)Cc1ccc(F)c(Cl)c1
QED,Please modify the molecule C[NH2+]C(c1cc(OC)cs1)c1cc(Br)ccc1OC to decrease its QED value.,C[NH2+]C(Br)(OC)c1cc(OC)cs1
AtomNum,"There is a molecule composed of 40 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 2 fluorine atoms.",Cc1ccc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccc(F)c(F)c4)c3C)CC2)cc1NC(=O)C1CCCCC1
BondNum,"Please generate a molecule composed of 14 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",c1cc2cc([S+]3CCCC3)ccc2cc1OCC1CCCC1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 hydroxyl group, 1 amine group, and 1 sulfone group.",Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C(=O)[O-]
AddComponent,Add a benzene ring to the molecule C#CCN(CC)c1c(C)cccc1C(=O)[O-].,C#CCN(CC)c1c(Cc2ccccc2)cccc1C(=O)[O-]
SubComponent,Substitute a CC(C)Oc1ccccc1CCCNc1cccc(O)c1 in the molecule hydroxyl with a nitrile.,CC(C)Oc1ccccc1CCCNc1cccc(C#N)c1
DelComponent,Remove a hydroxyl from the molecule O=c1oc(COS(=O)(=O)[O-])cc2c(O)cccc12.,O=c1oc(COS(=O)(=O)[O-])cc2ccccc12
LogP,Please modify the molecule Clc1ccc(Cl)c(-c2cc3ccccc3nc2-c2nc3ccccc3[nH]2)c1 to decrease its LogP value.,N#Cc1ccc(Cl)c(-c2cc3ccccc3nc2-c2nc3ccccc3[nH]2)c1
MR,Optimize the molecule CN(C)c1ccc2c(-c3ccc(C(=O)O)s3)c3ccc(=[N+](C)C)cc-3[te]c2c1 to have a higher MR value.,CN(C)c1ccc2c(-c3ccc(C(=O)S)s3)c3ccc(=[N+](C)C)cc-3[te]c2c1
QED,Please modify the molecule Fc1cccc(CC(Br)c2cnn(-c3ccccc3)c2)c1 to decrease its QED value.,Fc1ccc(S)c(CC(Br)c2cnn(-c3ccccc3)c2)c1
AtomNum,"The molecule contains 22 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",Cn1nc(C(=O)OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2c1=O
BondNum,"The molecule is composed of 46 single bonds, 2 double bonds, 1 triple bond, and 15 rotatable bonds.",COC1OC(COCC(=O)[O-])C(OC2OC(C#CCOO)C(OC3OC(COCC(=O)[O-])C(OC)C(O)C3O)C(O)C2O)C(O)C1O
FunctionalGroup,"The molecule has 2 thioether groups, and 1 sulfide group.",COCc1nc2n(n1)CCCC2NC(=O)NCC1(C)CCCS1
AddComponent,Modify the molecule O=C([O-])c1ccc(Br)cc1SCCc1cccs1 by adding a aldehyde.,O=CCc1cc(C(=O)[O-])c(SCCc2cccs2)cc1Br
SubComponent,Please substitute a halo in the molecule Brc1ccccc1CSCc1ccccc1 with a carboxyl.,O=C([OH])c1ccccc1CSCc1ccccc1
DelComponent,Please remove a amide from the molecule CC(C)CCC1(CCO)C(=O)NC(Nc2ccccc2)=[NH+]C1=O.,CC(C)CC(CCO)C1(Nc2ccccc2)NC1=O
LogP,Modify the molecule CCOC(=O)CC(O)Cc1cccc(C(=O)c2ccccc2)c1 to increase its LogP value.,CCOC(=O)CCCc1cccc(C(=O)c2ccccc2)c1
MR,Please optimize the molecule CC[NH2+]C(CCSc1n[nH]c(=O)n1C(C)C)C(N)=O to have a higher MR value.,CC[NH2+]C(CCSc1n[nH]c(=O)n1C(C)C)(C(N)=O)C(=O)O
QED,Optimize the molecule CC[NH2+]C(C)(CO)CCCOC1CC(C)CC(C)(C)C1 to have a higher QED value.,CC[NH2+]C(C)(C)CCCOC1CC(C)CC(C)(C)C1
AtomNum,"There is a molecule consisting of 33 carbon atoms, 8 nitrogen atoms, and 1 sulfur atom.",CC1=C2C3=CC(c4cccs4)C(C#N)(C#N)C(C#N)(C#N)C3C(C)=C2C2C(C(C)C)=CC1C(C#N)(C#N)C2(C#N)C#N
BondNum,"The molecule consists of 16 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",COc1ccc(S(=O)(=O)N2CC3CC4CC3C2C4O)cn1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 1 hydroxyl group.",C[NH+](CCCCO)Cc1cn(-c2ccccc2)nc1-c1ccccc1
AddComponent,Please add a benzene ring to the molecule CC(C)(C)n1ccnc(N2CCOCC2CC(=O)[O-])c1=O.,CC(C)(C)n1c(-c2ccccc2)cnc(N2CCOCC2CC(=O)[O-])c1=O
SubComponent,Modify the molecule CCOC(CC)C(=O)c1ccc(F)cc1F by substituting a halo with a hydroxyl.,CCOC(CC)C(=O)c1ccc(O)cc1F
DelComponent,Remove a C[NH+]=C(NCCCS(C)(=O)=O)NCC(c1ccccc1)c1ccccc1 from the molecule benzene ring.,C[NH+]=C(NCCCS(C)(=O)=O)NCCc1ccccc1
LogP,Modify the molecule CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OC(C)C to decrease its LogP value.,CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(O)ccc3C)C2=O)cc(Br)c1OC(C)C
MR,Modify the molecule CN(C)C(=O)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 to have a lower MR value.,CN(C)C(=O)C1CCN(C(=O)C[N+](=O)[O-])CC1
QED,Please modify the molecule Cc1c(C(=O)c2ccccc2)c2ccccc2n1C(C)CCS(=O)(=O)c1ccccc1 to decrease its QED value.,Cc1c(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2n1C(C)CCS(=O)(=O)c1ccccc1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 oxygen atom, 1 sulfur atom, and 4 fluorine atoms.",O=C(SCCC(F)CC(F)C(F)CF)c1ccccc1
BondNum,"Please generate a molecule with 19 single bonds, 2 double bonds, 1 triple bond, 7 rotatable bonds, and 12 aromatic bonds.",C#CC(C(=O)O)([P+](=O)OC)C(C)(O)c1c(-c2ccc(F)cc2)cc(C(C)(C)C)nc1C(C)C
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, 1 amide group, and 1 sulfone group.",CCCCCC=CCC(O)CCC=CCC=CCCCC(=O)NS(C)(=O)=O
AddComponent,Modify the molecule CCOc1cc(OCC)c(CCC(=O)[O-])c(OCC)c1 by adding a benzene ring.,CCOc1cc(OC(C)c2ccccc2)cc(OCC)c1CCC(=O)[O-]
SubComponent,Substitute a halo in the molecule Cc1cc2c(cc1C)[n+](Cc1ccc(Cl)cc1)cn2N with a aldehyde.,CC(=O)c1ccc(C[n+]2cn(N)c3cc(C)c(C)cc32)cc1
DelComponent,Remove a COc1ccc(N=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl from the molecule halo.,COc1ccc(N=Cc2cc(C)n(-c3ccccc3)c2C)cc1Cl
LogP,Modify the molecule Cc1nn(-c2ccc(NC=O)cc2)c(C)c1C#N to have a higher LogP value.,Cc1cc(C)n(-c2ccc(NC=O)cc2)n1
MR,Please modify the molecule C=C(C)CCCCCCCCCCCCCCOc1ccc(C(=O)[O-])cc1 to decrease its MR value.,C=C(C)CCCCCCCCCCCCCCOC(=O)[O-]
QED,Optimize the molecule N#Cc1nccnc1Oc1ccc(C(=O)CN2C(=O)NC3(CCC(F)(F)CC3)C2=O)cc1 to have a higher QED value.,N#Cc1nccnc1OC(=O)CN1C(=O)NC2(CCC(F)(F)CC2)C1=O
AtomNum,"There is a molecule composed of 15 carbon atoms, and 1 oxygen atom.",CCCCC(CC)CC1(O)CCCCCC1
BondNum,"Please generate a molecule consisting 13 single bonds, 3 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",CC(C)c1[nH]nc(C(=O)N2CCCC2C)c1S(N)(=O)=O
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, and 1 amine group.",O=C([O-])c1c[nH+]c2ccc(NCc3cccc(O)c3)nn12
AddComponent,Add a hydroxyl to the molecule CN(C)C(=O)c1cc(B(O)O)cc(C(=O)N(C)C)c1.,CN(C)C(=O)c1cc(B(O)O)cc(C(=O)N(C)CO)c1
SubComponent,Modify the molecule halo by substituting a COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2C)ccc1Cl with a carboxyl.,COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)[OH])ccc2C)ccc1Cl
DelComponent,Remove a O=C(C[NH+]1CCCN(Cc2nc3ccc(F)cc3s2)CC1)Nc1cccc(Cl)c1 from the molecule amide.,Fc1ccc2nc(CN3CCC[NH+](c4cccc(Cl)c4)CC3)sc2c1
LogP,Please modify the molecule COc1ccc(C[NH+]2CCC3(CC2)OCCCC3O)cc1OCC(=O)[O-] to increase its LogP value.,COc1ccc(C[NH+]2CCC3(CCCCO3)CC2)cc1OCC(=O)[O-]
MR,Modify the molecule CC(C)[NH+]1Cc2cc(C(=O)N3CCSCC3)sc2C1 to increase its MR value.,CC(C)[NH+]1Cc2sc(C(=O)N3CCSCC3)c(O)c2C1
QED,Please optimize the molecule N#Cc1c(C(F)F)cnc([N+](=O)[O-])c1CO to have a lower QED value.,O=[N+]([O-])c1ncc(C(F)F)cc1CO
AtomNum,"The molecule is composed of 36 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 2 chlorine atoms.",CC1CCCN(C(=O)c2cc(NC(=O)C(C)[NH+]3CCC(C(=O)NC(C)C(=O)Nc4ccc(C(=O)N5CCCC5)c(Cl)c4)CC3)ccc2Cl)C1
BondNum,"The molecule has 11 single bonds, 2 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CCCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)OCc2ccccc2)c1=O
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 ester group, 1 amide group, and 3 halo groups.",CCC(C)c1ccccc1NC(=O)C(C)OC(=O)c1ccc(C(F)(F)F)cc1
AddComponent,Modify the molecule O=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccc(Cl)c(Cl)c1 by adding a benzene ring.,O=C(NCC(c1ccccc1)n1nc(-n2cncn2)ccc1=O)c1ccc(Cl)c(Cl)c1
SubComponent,Please substitute a halo in the molecule Cc1ccc(C(NN)C2Cc3ccccc3O2)c(F)c1F with a nitro.,Cc1ccc(C(NN)C2Cc3ccccc3O2)c(NO)c1F
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)NCc3ccc(F)cc3)CC2)c1.,Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)NCF)CC2)c1
LogP,Modify the molecule COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccccc2)noc1C to have a higher LogP value.,COC(=O)C1=C(C)C(C)=C(C(=O)OC)C1c1c(-c2ccccc2)noc1C
MR,Optimize the molecule CN(Cc1cccc(C(N)=O)c1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] to have a higher MR value.,CN(Cc1cccc(C(N)=O)c1)C(=O)CCNc1ccc(C(F)(F)NO)cc1[N+](=O)[O-]
QED,Modify the molecule CC[NH2+]C(CSc1ccccc1F)Cc1ccccc1 to have a higher QED value.,CC[NH2+]C(CSc1ccccc1C#N)Cc1ccccc1
AtomNum,"There is a molecule with 22 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",O=C(c1ncoc1C1CC1)N1CCC(O)(c2ccccc2)C2CCCCC21
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cncn1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, and 1 halo group.",Cc1ccc(C(=O)Nc2cccc(OCC[NH3+])c2)cc1F
AddComponent,Modify the molecule CCc1oc(-c2ccc(F)c(C)c2)cc1CBr by adding a benzene ring.,CCc1oc(-c2cc(C)c(F)c(-c3ccccc3)c2)cc1CBr
SubComponent,Substitute a halo in the molecule CCCC(COCCCCCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1)COCCCCCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1 with a carboxyl.,CCCC(COCCCCCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1)COCCCCCOc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(C(=O)[OH])c2)cc1
DelComponent,Modify the molecule Cc1ccc(SCC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 by removing a amide.,Cc1ccc(SCC(=O)NN=Cc2ccc(Oc3ccccc3)cc2)cc1
LogP,Please optimize the molecule Cc1nc(SC(C)C(=O)Nc2ccccc2C#N)n[nH]1 to have a lower LogP value.,Cc1nc([SH](C)c2ccccc2C#N)n[nH]1
MR,Please modify the molecule O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)N1CC[NH+](CCc2ccccn2)CC1 to decrease its MR value.,O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)N1CC[NH+](CCc2ccccn2)CC1
QED,Please modify the molecule CC(=O)c1cc2c(cc1NC(=O)COC(=O)C(C#N)=Cc1cc(C)n(CC(C)C)c1C)OCO2 to decrease its QED value.,CC(=O)c1cc2c(cc1OC(=O)C(C#N)=Cc1cc(C)n(CC(C)C)c1C)OCO2
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CC1CC(C(=O)N2CC3(C2)CN(c2ncnc4sc(CC(F)(F)F)cc24)C3)N(C(=O)OC(C)(C)C)C1
BondNum,"The molecule has 18 single bonds, 1 double bond, 1 triple bond, 15 rotatable bonds, and 27 aromatic bonds.",CCn1c2ccccc2c2cc(C(=O)OCCCCCCCCCCCc3ccc(-c4ccc(C#N)cc4)cc3)ccc21
FunctionalGroup,"The molecule has 1 ester group, and 1 amide group.",CCCC[Si](C)(C)OC(C)C1C(=O)NC1OC(C)=O
AddComponent,Modify the molecule O=S(=O)(c1c(F)cc(F)cc1F)N1CCCC(CBr)C1 by adding a benzene ring.,O=S(=O)(c1c(F)cc(F)c(-c2ccccc2)c1F)N1CCCC(CBr)C1
SubComponent,Modify the molecule halo by substituting a CC(C)c1onc(-c2cccc(F)c2)c1C(=O)n1ccc2ccc(C(=O)[O-])cc21 with a aldehyde.,CC(=O)c1cccc(-c2noc(C(C)C)c2C(=O)n2ccc3ccc(C(=O)[O-])cc32)c1
DelComponent,Please remove a halo from the molecule CCCCOc1ccc(Br)cc1C=NNC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1.,CCCCOc1ccccc1C=NNC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1
LogP,Optimize the molecule CC(C)(C)C1(c2cc(F)ccc2OC2CCOC2)CC(F)CN1C(=O)[O-] to have a lower LogP value.,CC(C)(C)C1(c2cc(C(=O)[OH])ccc2OC2CCOC2)CC(F)CN1C(=O)[O-]
MR,Optimize the molecule Cc1cccc(C)c1NC(=O)c1c[nH]c2cc(N)ccc12 to have a higher MR value.,Cc1cccc(C)c1NC(=O)c1c(-c2ccccc2)[nH]c2cc(N)ccc12
QED,Modify the molecule CC1CCCC([NH3+])(C(=O)NC(C)C2CCCC2)C1 to have a lower QED value.,CC(NC(=O)C1([NH3+])CCCC(C)(CC=O)C1)C1CCCC1
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",CC[NH+]1CCCC1CN(C)C(=O)c1csc(CC[NH3+])n1
BondNum,"The molecule has 12 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1[NH2+]CCC1C(=O)Nc1cc(Br)ccc1C(=O)[O-]
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 1 halo group.",[NH3+]CC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1
AddComponent,Modify the molecule CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)c1cccc(Cl)c1Cl by adding a nitrile.,CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCC(C#N)CC3)cc2)cc1)c1cccc(Cl)c1Cl
SubComponent,Please substitute a halo in the molecule COc1c(C(C)C)cc(Cl)c(C)c1C1([NH3+])CCCCC1 with a nitro.,COc1c(C(C)C)cc(NO)c(C)c1C1([NH3+])CCCCC1
DelComponent,Please remove a COCCS(=O)(=O)Nc1cccc(C2(O)C3CCC2C[NH+](Cc2ccc4ccccc4c2)C3)c1 from the molecule hydroxyl.,COCCS(=O)(=O)Nc1cccc(C2C3CCC2C[NH+](Cc2ccc4ccccc4c2)C3)c1
LogP,Modify the molecule Cc1cc(Cl)c2sc(N=O)c(O)c2c1 to decrease its LogP value.,Cc1ccc2sc(N=O)c(O)c2c1
MR,Modify the molecule C[NH2+]C(Cc1nc(CSC(C)C)no1)c1ccccc1 to have a higher MR value.,C[NH2+]C(Cc1nc(CSC(C)CO)no1)c1ccccc1
QED,Optimize the molecule C[NH2+]Cc1ccccc1C(=O)C1CC(c2[nH]c(-c3ccc4c(c3)cc3n4COC4=C3CCC(c3c[nH+]c(C5CCCN5C(O)C([NH3+])C(C)C)[nH]3)=C4)c[nH+]2)CCCC1C to have a higher QED value.,C[NH2+]Cc1ccccc1C(=O)C1CC(c2[nH]c(-c3ccc4c(c3)cc3n4COC4=C3CCC(c3c[nH+]c(C5CCCN5CC([NH3+])C(C)C)[nH]3)=C4)c[nH+]2)CCCC1C
AtomNum,"There is a molecule composed of 10 carbon atoms, and 1 oxygen atom.",CCCCCC(C)C=CC=O
BondNum,"Please generate a molecule consisting 18 single bonds, 3 double bonds, 1 triple bond, 9 rotatable bonds, and 21 aromatic bonds.",COc1ccc(F)cc1C(Cn1c(=O)n(C2CCNC2=O)c(=O)c2c(C)c(-n3nccn3)sc21)OCCC#N
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 ester group, 1 amide group, 2 thioether groups, and 1 sulfide group.",CCC(SCC(=O)Nc1ccc(C(C)C)cc1)C(=O)OCc1ccccc1
AddComponent,Please add a carboxyl to the molecule CC(C)COC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1.,CC(C)COC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1C(=O)O
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)(C)OC(=O)N1CCC2(CC1)C[NH+](Cc1ccccc1)CC2CO with a carboxyl.,CC(C)(C)OC(=O)N1CCC2(CC1)C[NH+](Cc1ccccc1)CC2CC(=O)[OH]
DelComponent,Modify the molecule hydroxyl by removing a COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)C2c2coc3ccc(F)cc3c2=O)c1.,COc1ccc(OC)c(C2=CC(=O)N(c3cccc(C#N)c3)C2c2coc3ccc(F)cc3c2=O)c1
LogP,Modify the molecule O=C(NC1(CO)COc2ccccc2C1)c1cn(Cc2ccccc2)nn1 to increase its LogP value.,CC1(NC(=O)c2cn(Cc3ccccc3)nn2)COc2ccccc2C1
MR,Please optimize the molecule [NH3+]C1CCCC1C(=O)Nc1cccc(Cl)c1-n1ccnc1 to have a lower MR value.,N#Cc1cccc(NC(=O)C2CCCC2[NH3+])c1-n1ccnc1
QED,Modify the molecule Cc1ccoc1C(O)Cc1ccsc1 to increase its QED value.,Cc1ccoc1C(O)Cc1csc(O)c1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC(C)(C)N(C(=O)c1ccc2c(c1)OCO2)C(C)(C)C
BondNum,"The molecule contains 24 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC1(C)CC(N(C(=O)c2ccccc2)C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ester group, 1 halo group, 2 thioether groups, and 1 sulfide group.",COC(=O)c1ccc(Cl)c(CSCc2nncn2C)c1
AddComponent,Modify the molecule COc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O by adding a amine.,COc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N1C(=O)c2cc(C(=O)[O-])cc(N)c2C1=O
SubComponent,Please substitute a halo in the molecule Fc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2F)c(F)c1 with a hydroxyl.,Oc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2F)c(F)c1
DelComponent,Please remove a CCNS(=O)(=O)c1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1 from the molecule benzene ring.,CCNS(=O)(=O)c1nc(C2([NH3+])CCCC2)no1
LogP,Please modify the molecule CCC1(CCC2OC(O)c3cccc[n+]32)c2cc(F)cc(F)c2-c2cccc[n+]2C1(C)CC to increase its LogP value.,CCC1(CCC2OC(C#N)c3cccc[n+]32)c2cc(F)cc(F)c2-c2cccc[n+]2C1(C)CC
MR,Please modify the molecule C[NH+](C)Cc1ccc(C(N)C#N)cc1 to increase its MR value.,C[NH+](C)Cc1ccc(C(N)S)cc1
QED,Modify the molecule CCCCCCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1 to have a lower QED value.,CC(NC(=O)c1cccc(NC(=O)CCCCCCN)c1)c1ccccc1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCC(C)C(C)(O)CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1
BondNum,"Please generate a molecule with 5 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",NC(=S)c1cc(Nc2ccc(F)cc2)ccn1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 hydroxyl group, and 2 halo groups.",OC(c1ccc(Oc2ccccc2)cc1)C(F)F
AddComponent,Add a hydroxyl to the molecule CC1CCN(C2CCC[NH+](Cc3cc(C(=O)Nc4ccc5c(c4)NC(=O)C(C)O5)ccc3-c3ccccc3)C2)CC1.,CC1Oc2ccc(NC(=O)c3ccc(-c4ccccc4)c(C[NH+]4CCCC(N5CCC(CO)CC5)C4)c3)cc2NC1=O
SubComponent,Substitute a halo in the molecule CCCCC(NC(=O)NCc1cc(Cl)ccc1-n1cnnn1)c1nc(-c2ccc(NC(=O)OC)cc2)c(Cl)[nH]1 with a nitro.,CCCCC(NC(=O)NCc1cc(NO)ccc1-n1cnnn1)c1nc(-c2ccc(NC(=O)OC)cc2)c(Cl)[nH]1
DelComponent,Modify the molecule halo by removing a O=C(NC1CCC(O)CC1)N1CCC(Oc2ccc(F)cc2)CC1.,O=C(NC1CCC(O)CC1)N1CCC(Oc2ccccc2)CC1
LogP,Modify the molecule CC[NH2+]C(C)(CO)CCCCOCC1CCCCC1 to have a higher LogP value.,CC[NH2+]C(C)(C)CCCCOCC1CCCCC1
MR,Please optimize the molecule Cc1[nH]n(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c(=O)c1N=Nc1ccccc1Cl to have a lower MR value.,Cc1[nH]n(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)c(=O)c1N=Nc1ccccc1Cl
QED,Modify the molecule CN(CCNC(=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br)c1ccccc1 to have a higher QED value.,CN(CCNC(=O)Oc1n[nH]c(NC(=O)c2ccccc2)c1Br)c1ccccc1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 1 nitrogen atom, 1 fluorine atom, and 1 bromine atom.",CCC[NH2+]C(c1cc(C)cc(C)c1)c1c(F)cccc1Br
BondNum,"The molecule consists of 28 single bonds, 5 double bonds, 11 rotatable bonds, and 24 aromatic bonds.",Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(C)[NH+]3CCC(C(=O)NCC(=O)Nc4ccccc4C(=O)Nc4ccc(F)cc4F)CC3)c2)cc1F
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 halo group, 1 thioether group, and 1 sulfide group.",O=C(CSc1nc([O-])cc(=O)[nH]1)NCc1ccc(Cl)cc1
AddComponent,Modify the molecule Cn1cnnc1C[NH2+]Cc1ccccc1-n1cccn1 by adding a hydroxyl.,Cn1cnnc1C[NH2+]Cc1ccccc1-n1nccc1O
SubComponent,Modify the molecule CC(CN(C(=O)C1CC1c1ccc(Cl)cc1Cl)C1CC1)C(=O)[O-] by substituting a halo with a carboxyl.,CC(CN(C(=O)C1CC1c1ccc(C(=O)[OH])cc1Cl)C1CC1)C(=O)[O-]
DelComponent,Remove a benzene ring from the molecule CC(=O)OCCc1ccccc1N.,CC(=O)OCCN
LogP,Modify the molecule N#Cc1ccc2ncc(N)c(=O)n2c1 to increase its LogP value.,Nc1cnc2ccccn2c1=O
MR,Modify the molecule O=C([O-])CC=CCCCCCO to decrease its MR value.,CCCCCC=CCC(=O)[O-]
QED,Modify the molecule COc1ccc(C)cc1NC1NC(=O)C(=Cc2ccc(OC(C)C)cc2)S1 to have a lower QED value.,COc1ccc(C)cc1NC1NC(=O)C(=Cc2ccc(OC(C)C)c(CC=O)c2)S1
AtomNum,"The molecule consists of 16 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCc1cccc(NC(=O)N(C)CC(=O)NC(C)(C)C)c1
BondNum,"The molecule consists of 29 single bonds, 7 double bonds, 6 rotatable bonds, and 5 aromatic bonds.",CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(CSc3nc4c(o3)C=C[NH+](C)C4)CSC12)N1C=C(N)S[NH2+]1
FunctionalGroup,The molecule consists of and 2 amide groups.,CCNC(=O)C1CCN(C(=O)CCC[NH2+]C)CC1
AddComponent,Modify the molecule O=Cc1ssc(=O)c1-c1ccccc1 by adding a hydroxyl.,O=Cc1ssc(=O)c1-c1cccc(O)c1
SubComponent,Please substitute a halo in the molecule Cc1cccc(-n2c(C(F)(F)F)nc3c2CC[NH2+]C3)c1 with a carboxyl.,Cc1cccc(-n2c(C(F)(F)C(=O)[OH])nc3c2CC[NH2+]C3)c1
DelComponent,Modify the molecule halo by removing a CCCOCCC1(CCl)CC2CC2C1.,CCCOCCC1(C)CC2CC2C1
LogP,Please optimize the molecule Cc1ccc(SCCC(=O)NC(CF)C(=O)[O-])cc1C to have a lower LogP value.,Cc1ccc(SCCC(=O)NC(CC(=O)[OH])C(=O)[O-])cc1C
MR,Modify the molecule S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1ncc(Br)cc1Br to increase its MR value.,S=C(Nc1ncc(Br)cc1Br)NC(c1ccccc1)C1(c2ccc(Cl)cc2)CCCCC1
QED,Please optimize the molecule CCNC(=O)CNC(=O)c1cc(Br)cnc1NCC to have a higher QED value.,CCNC(=O)CNC(=O)c1cc(Br)cnc1CC
AtomNum,"Please generate a molecule with 24 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c1C
BondNum,"Please generate a molecule composed of 12 single bonds, 8 rotatable bonds, and 17 aromatic bonds.",COc1cc(C[NH+](C)Cc2coc(-c3ccccc3)n2)ccc1OC(F)F
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CN(C(=O)COc1ncc2cc(C[NH3+])ccc2n1)C(C[NH+]1CCC(O)C1)c1ccccc1
AddComponent,Modify the molecule CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 by adding a hydroxyl.,OCN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1
SubComponent,Please substitute a hydroxyl in the molecule CCN(CC)c1ccc(NC=C(C#N)C(=O)NCCc2ccc(O)cc2)cc1 with a carboxyl.,CCN(CC)c1ccc(NC=C(C#N)C(=O)NCCc2ccc(C(=O)[OH])cc2)cc1
DelComponent,Remove a N#CC1=C([NH3+])Oc2cc(OC(=O)c3cccs3)ccc2C1c1ccco1 from the molecule nitrile.,[NH3+]C1=CC(c2ccco2)c2ccc(OC(=O)c3cccs3)cc2O1
LogP,Modify the molecule CC1CCCCC1N1CCC[NH2+]C(C)(C)C1 to decrease its LogP value.,CC1(C)CN(C2CCCCC2(C)CC=O)CCC[NH2+]1
MR,Please optimize the molecule CCCCC=C(Cl)B(C(C)C(C)C)C(C)C(C)C to have a higher MR value.,CCCCC=C(Cl)B(C(C)C(C)C)C(C)(c1ccccc1)C(C)C
QED,Optimize the molecule O=S(=O)([O-])CCC[NH2+]Cc1ccccc1 to have a lower QED value.,O=S(=O)([O-])CCC(O)[NH2+]Cc1ccccc1
AtomNum,"There is a molecule consisting of 8 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCc1nc(CO)[nH]c1CC
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",Cc1cc(Nc2ccc(C(=O)[O-])cc2)nc(Nc2ccccc2Cl)n1
FunctionalGroup,The molecule consists of and 1 amide group.,O=C(c1ccco1)N1CC[NH+](CCCCCCOc2cccc3ccccc23)CC1
AddComponent,Modify the molecule COc1ccc(C2NC(=O)N(CC(=O)N3CCOCC3)C3=C2C(=O)OC3)cc1 by adding a amine.,COc1ccc(C2NC(=O)N(CC(=O)N3CCOCC3)C3=C2C(=O)OC3N)cc1
SubComponent,Substitute a CCC[Si](Br)c1cccc2ccccc12 in the molecule halo with a carboxyl.,CCC[Si](C(=O)[OH])c1cccc2ccccc12
DelComponent,Modify the molecule halo by removing a CC(C(=O)[O-])C(C)S(=O)c1ccc(Cl)cc1.,CC(C(=O)[O-])C(C)S(=O)c1ccccc1
LogP,Optimize the molecule Cn1ncc2c1CCCC2[NH2+]Cc1ncc(Br)cc1Br to have a higher LogP value.,Cn1ncc2c1CCC(c1ccccc1)C2[NH2+]Cc1ncc(Br)cc1Br
MR,Optimize the molecule CCC(CC)[NH+](C)Cc1nc(Cl)ccc1Cl to have a higher MR value.,CCC(C(C)CC=O)[NH+](C)Cc1nc(Cl)ccc1Cl
QED,Modify the molecule O=C(C1C2CCc3ccccc3C21)N1CCC(Cl)CC1 to decrease its QED value.,O=C(C1C2CCc3ccccc3C21)N1CCC(Cl)C(c2ccccc2)C1
AtomNum,"There is a molecule with 25 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 fluorine atom, and 2 chlorine atoms.",CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Cc1cccc(F)c1
BondNum,"The molecule contains 10 single bonds, 1 double bond, 6 rotatable bonds, and 16 aromatic bonds.",O=C(CCc1ccccc1)N(Cc1c[nH+]c2ccccn12)C1CC1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 amide group, and 1 amine group.",CCC[NH+](C)CC=NC(=O)C(c1ccc(Nc2nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)cc1)[NH+](C)C(C)C
AddComponent,Please add a hydroxyl to the molecule O=C(Nc1ccc(C2CCC2)cn1)NC1CCCNC1=O.,O=C(Nc1ccc(C2(O)CCC2)cn1)NC1CCCNC1=O
SubComponent,Please substitute a CCOC(=O)c1cc(C#N)cc(OC)c1SC(F)(F)F in the molecule halo with a nitro.,CCOC(=O)c1cc(C#N)cc(OC)c1SC(F)(F)NO
DelComponent,Please remove a halo from the molecule N#CCCC[NH+]1CCC(F)(F)CC1.,N#CCCC[NH+]1CCC(F)CC1
LogP,Modify the molecule COCCn1ncc(Br)c1C([NH3+])c1ccc(Br)cc1 to decrease its LogP value.,COCCn1ncc(Br)c1C([NH3+])c1ccccc1
MR,Optimize the molecule CC[NH+]1CCC(C)(C)C(CC#N)C1 to have a higher MR value.,CC[NH+]1CCC(C)(C)C(CS)C1
QED,Please modify the molecule N#CNc1nc(N)c(Cc2c[nH]c3ccccc23)c(N)n1 to increase its QED value.,Nc1nc(N)c(Cc2c[nH]c3ccccc23)c(N)n1
AtomNum,"There is a molecule composed of 16 carbon atoms, and 3 nitrogen atoms.",CC(C)NC(C)(C#N)CCCC[NH+](C)CC1CCC1
BondNum,"There is a molecule with 26 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",C=CC(=O)N1CCN(c2nc(OCC3CCC[NH+]3C)nc3c2CCN(c2cccc4cccc(CC)c24)C3)CC1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 hydroxyl group, and 1 ketone group.",COc1ccc(O)c(C(=O)c2cnc3c(c2)c(C(C)(C)C)nn3-c2ccccc2)c1
AddComponent,Please add a benzene ring to the molecule CC(C)(C)OC(=O)N1CCCC(COS(C)(=O)=O)c2c1cc(O)c1ccccc21.,CC(C)(C)OC(=O)N1CCC(c2ccccc2)C(COS(C)(=O)=O)c2c1cc(O)c1ccccc21
SubComponent,Modify the molecule nitrile by substituting a CCCCOCC1OC(c2c[nH+]c(C#N)n2N)C(C)(OCCCC)C1OCCCC with a nitro.,CCCCOCC1OC(c2c[nH+]c(NO)n2N)C(C)(OCCCC)C1OCCCC
DelComponent,Modify the molecule amine by removing a Cc1ccc(C)n1-c1ccc2c(c1)NCC(I)CO2.,Cc1ccc(C)n1-c1ccc2c(c1)CC(I)CO2
LogP,Please modify the molecule O=C(Cc1ccc(Cl)s1)C1CC2CCCCC2[NH2+]1 to decrease its LogP value.,O=C([OH])c1ccc(CC(=O)C2CC3CCCCC3[NH2+]2)s1
MR,Modify the molecule CCn1cnnc1-c1ccc(C(=O)N2CCCCC2CCO)cc1 to have a lower MR value.,CCC1CCCCN1C(=O)c1ccc(-c2nncn2CC)cc1
QED,Modify the molecule CCNc1ccccc1C(=O)N(CC(N)=O)CC(N)=O to have a higher QED value.,CCc1ccccc1C(=O)N(CC(N)=O)CC(N)=O
AtomNum,"The molecule is composed of 18 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCc1ccccc1NC(=O)c1nn(CCOC)c2c1C[NH2+]CC2
BondNum,"The molecule consists of 8 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)N(CCCO)c1ccccc1F
FunctionalGroup,Please generate a molecule composed of and 1 hydroxyl group.,O=NN1CCCC1(O)C(=O)[O-]
AddComponent,Modify the molecule CC(C(=O)NCc1ccc(OCC2CC2)nc1)n1c(-c2cccs2)n[nH]c1=S by adding a benzene ring.,CC(C(=O)NCc1ccc(OCC2CC2)nc1)n1c(-c2cc(-c3ccccc3)cs2)n[nH]c1=S
SubComponent,Please substitute a hydroxyl in the molecule Oc1ccccc1CCCn1cccc1 with a carboxyl.,O=C([OH])c1ccccc1CCCn1cccc1
DelComponent,Remove a halo from the molecule COc1ccn2c(-c3ccc(NC(=O)c4cc(F)c(F)cc4F)cc3)c(C(F)(F)F)cc2c1.,COc1ccn2c(-c3ccc(NC(=O)c4ccc(F)cc4F)cc3)c(C(F)(F)F)cc2c1
LogP,Please modify the molecule CN(C(=O)C=Cc1ccc(F)cc1)c1nc2ccccc2s1 to decrease its LogP value.,CN(C(=O)C=Cc1ccc(NO)cc1)c1nc2ccccc2s1
MR,Modify the molecule C1=C(c2cccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccccc5)c5cccc(-c6ccc7oc8ccccc8c7c6)c5)c5ccccc5c3-4)c2)CC2C(=C1)Oc1ccccc12 to have a lower MR value.,C1=C(c2cccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(Nc5cccc(-c6ccc7oc8ccccc8c7c6)c5)c5ccccc5c3-4)c2)CC2C(=C1)Oc1ccccc12
QED,Modify the molecule CC(C)CC(NC(=O)C(NC(=O)C([NH3+])C(C)O)C(C)O)C(=O)NC(CCCC[NH3+])C(=O)[O-] to have a higher QED value.,CCC(NC(=O)C([NH3+])C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCC[NH3+])C(=O)[O-]
AtomNum,"There is a molecule composed of 18 carbon atoms, and 3 nitrogen atoms.",C=CCN(C)c1cc(C[NH2+]CC(C)C)cc(C(C)(C)C)n1
BondNum,"There is a molecule consisting of 25 single bonds, 1 double bond, and 3 rotatable bonds.",CC(C)CC1OCCCC1NC(=O)N1CCOC2(CCOC2C)C1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",CCN(C)c1ccc(C(=O)NCCCCOC)cc1
AddComponent,Add a benzene ring to the molecule CC1C(c2nccs2)CCCN1c1ncnc2cc(N3CCOCC3)ccc12.,CC1C(c2nccs2)C(c2ccccc2)CCN1c1ncnc2cc(N3CCOCC3)ccc12
SubComponent,Modify the molecule halo by substituting a C=CC[NH2+]CC(=O)N(C)Cc1ccc(Br)cc1 with a nitro.,C=CC[NH2+]CC(=O)N(C)Cc1ccc(NO)cc1
DelComponent,Remove a benzene ring from the molecule CCOc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)c3c(-c4ccc(C)cc4)[nH]nc3n2)cc1.,CCOc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)c3c(C)[nH]nc3n2)cc1
LogP,Modify the molecule CCOc1cc(NC(C)CCCO)nc(C)n1 to have a higher LogP value.,CCCC(C)Nc1cc(OCC)nc(C)n1
MR,Modify the molecule S=c1n(-c2ccc(Br)cc2)c(=S)n2n1CCC2 to have a lower MR value.,S=c1n(Br)c(=S)n2n1CCC2
QED,Modify the molecule COC(=O)C(NC(C)=O)C(S)C(=CC=CCC(C)(O)CCC=C(C)C)c1ccccc1 to have a lower QED value.,COC(=O)C(NC(C)=O)C(NO)C(=CC=CCC(C)(O)CCC=C(C)C)c1ccccc1
AtomNum,"The molecule has 13 carbon atoms, and 2 oxygen atoms.",CC(C)c1ccc(O)c2ccc(O)cc12
BondNum,"There is a molecule composed of 5 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",COc1cc(C)n(Cc2ccccc2)c(=O)n1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ester group, and 1 halo group.",COC(=O)c1ccc(C[NH2+]C2C3C4CCC(C4)C23)c(Br)c1
AddComponent,Modify the molecule Nc1ccccc1-c1n[nH]c(=O)n(N=C2C(=O)Nc3ccccc32)c1=O by adding a benzene ring.,Nc1ccccc1-c1n[nH]c(=O)n(N=C2C(=O)Nc3cc(-c4ccccc4)ccc32)c1=O
SubComponent,Substitute a halo in the molecule COc1cc(C)c(C(C)NC(=O)c2ccc(I)cc2)cc1C(C)C with a carboxyl.,COc1cc(C)c(C(C)NC(=O)c2ccc(C(=O)[OH])cc2)cc1C(C)C
DelComponent,Please remove a halo from the molecule C[NH+](Cc1cc(-c2ccc(Cl)cc2)no1)C1CCc2ccccc21.,C[NH+](Cc1cc(-c2ccccc2)no1)C1CCc2ccccc21
LogP,Please optimize the molecule CN([O-])c1cc(-c2nc(-c3cc(N(C)[O-])cc(N([O-])C(C)(C)C)c3)nc(-c3cc(N(C)[O-])cc(N([O-])C(C)(C)C)c3)n2)cc(N(C)[O-])c1 to have a lower LogP value.,CN([O-])c1cc(-c2nc(-c3cc(N(C)[O-])cc(N([O-])C(C)(C)C)c3)nc(-c3cc(N(C)[O-])cc(N([O-])C(C)(C)CO)c3)n2)cc(N(C)[O-])c1
MR,Please modify the molecule COCC1OC(n2cnc3c(N)nc(N)nc32)C(O)C1OC to increase its MR value.,COCC1OC(n2cnc3c(N)nc(N)nc32)C(O)C1(OC)C(=O)O
QED,Modify the molecule Cc1c(Cl)cccc1NC(=O)C(C)n1nnc(C#N)c1C to decrease its QED value.,Cc1c(Cl)cc(O)cc1NC(=O)C(C)n1nnc(C#N)c1C
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",COCc1ccccc1CNc1ncnc(Cl)c1N
BondNum,"There is a molecule with 7 single bonds, 1 double bond, 4 rotatable bonds, and 44 aromatic bonds.",C1=CN(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2cccc3c2c1cc1c2ccccc2n(-c2ccccc2)c31
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 2 ester groups.",CC(C[NH2+]C(Cc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1)C(=O)[O-])OC(=O)Oc1ccccc1
AddComponent,Add a hydroxyl to the molecule O=C1CC(Oc2ccc(Br)c(F)c2)C12CCCCCC2.,O=C1CC(Oc2ccc(Br)c(F)c2)C12CCCCCC2O
SubComponent,Please substitute a halo in the molecule CCS(=O)(=O)CCOc1ccc(Br)cc1C[NH2+]CC(C)C with a aldehyde.,CC(=O)c1ccc(OCCS(=O)(=O)CC)c(C[NH2+]CC(C)C)c1
DelComponent,Please remove a CC(C)C(CNC(=O)N(CCC#N)C1CC1)C(=O)[O-] from the molecule nitrile.,CCN(C(=O)NCC(C(=O)[O-])C(C)C)C1CC1
LogP,Modify the molecule CC([NH3+])C(C)C(=O)NCCOc1cccc(C(F)(F)F)c1 to have a lower LogP value.,CC(C(=O)NCCOc1cccc(C(F)(F)F)c1)C([NH3+])CO
MR,Modify the molecule COc1ccc(-c2noc(CCC(=O)N3CCC([NH3+])C(C)(C)C3)n2)cc1 to increase its MR value.,CC1(C)CN(C(=O)CCc2nc(-c3ccc(OCO)cc3)no2)CCC1[NH3+]
QED,Optimize the molecule CC(C)CCOCC[NH2+]Cc1ccccc1Br to have a lower QED value.,CC(C)CCOCC[NH2+]Cc1ccccc1S
AtomNum,"There is a molecule consisting of 39 carbon atoms, and 8 oxygen atoms.",CCCCCCCCC(C(=O)[O-])C(CCOc1ccc(C(=O)c2ccccc2)c(O)c1)Oc1ccc(C(=O)c2ccccc2)c(O)c1
BondNum,"The molecule has 21 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CC1C[NH+](CCCC2([N+](=O)[O-])Cc3ccccc3C2)CCC1(C)c1cccc(C(N)=O)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amine groups, 1 halo group, 1 thioether group, and 1 sulfide group.",CSc1nn2c(C)cc(C)nc2c1C1CC(c2ccc(F)cc2)NN1
AddComponent,Add a hydroxyl to the molecule CC(C)CC(NC(=O)OC(C)(C)C)c1nc(C#N)c2cc(-c3cnco3)ccc2n1.,CC(C)C(O)C(NC(=O)OC(C)(C)C)c1nc(C#N)c2cc(-c3cnco3)ccc2n1
SubComponent,Please substitute a halo in the molecule COc1cccc(CC(=O)Nc2cccc(N3CCCN(Cc4ccc(C(F)(F)F)cc4)C3=O)c2)c1 with a nitro.,COc1cccc(CC(=O)Nc2cccc(N3CCCN(Cc4ccc(C(F)(F)NO)cc4)C3=O)c2)c1
DelComponent,Please remove a thiol from the molecule CCC(N(S)C(=O)Nc1ccc(Cl)cn1)[NH+]1CCCCC1C.,CCC(NC(=O)Nc1ccc(Cl)cn1)[NH+]1CCCCC1C
LogP,Modify the molecule CC[NH+](CC)C1CCN(c2ccc(N=Cc3c(O)[nH]c4cc(F)ccc34)cc2F)C1 to increase its LogP value.,CC(=O)c1ccc2c(C=Nc3ccc(N4CCC([NH+](CC)CC)C4)c(F)c3)c(O)[nH]c2c1
MR,Please optimize the molecule CCC(N1CCCC(Br)C1=O)C(C)(C)O to have a higher MR value.,CCC(N1CCCC(Br)C1=O)C(C)(C)C#N
QED,Optimize the molecule CCC[NH+](CCC)Cc1cccc(C(N)=[NH+]O)c1 to have a higher QED value.,CCC[NH+](CCC)Cc1cccc(C(=[NH+])N)c1
AtomNum,"There is a molecule composed of 18 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1cccc(C(O)CNC(=O)c2cn(C)nc2-c2cccs2)c1
BondNum,"Please generate a molecule composed of 11 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(c1ccccc1)C(O)CC1=CCC(c2ccccc2)CC1
FunctionalGroup,Please generate a molecule with and 2 amine groups.,CCc1cc(CC(NN)C2(C)CCCO2)n(CC)n1
AddComponent,Modify the molecule CCCCOc1cc(C)cc2c1C(C)CCC2C(C)CCC=C(C)C by adding a benzene ring.,CCCCOc1cc(C)cc2c1C(Cc1ccccc1)CCC2C(C)CCC=C(C)C
SubComponent,Modify the molecule nitrile by substituting a N#Cc1ccc(Cl)cc1NCc1ccccc1C(F)(F)F with a aldehyde.,CC(=O)c1ccc(Cl)cc1NCc1ccccc1C(F)(F)F
DelComponent,Please remove a benzene ring from the molecule COc1cccc(-n2c(=O)[nH]c(=O)[nH]c2=O)c1.,COn1c(=O)[nH]c(=O)[nH]c1=O
LogP,Modify the molecule CC1CC[NH+](CCNC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)CC1 to increase its LogP value.,CC(=O)c1ccc(-c2cccc(CC3(C(=O)NCC[NH+]4CCC(C)CC4)CCOCC3)c2)cc1
MR,Please modify the molecule CCNc1ncc(C(=O)Nc2cc(C)cc(Br)c2)cc1Cl to decrease its MR value.,CCNc1ccc(C(=O)Nc2cc(C)cc(Br)c2)cn1
QED,Modify the molecule COCCC(C)(O)CNC(=O)CCC(C)(C)CC[NH3+] to increase its QED value.,COCCC(C)(C#N)CNC(=O)CCC(C)(C)CC[NH3+]
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(O)c(C[NH+]2CCc3nc(C(C)C)ncc3C2)c1
BondNum,"There is a molecule composed of 15 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C(=O)NCCC[NH+](C)C)nc(N2CCCc3ccccc32)n1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, 1 thioether group, and 1 sulfide group.",Cc1ccc(-c2nnc(SCc3cc(=O)oc4c(C)c(O)ccc34)o2)cc1
AddComponent,Please add a benzene ring to the molecule CC1CCCC[NH+]1CCOc1ccccc1C(=O)N1CCOCC1.,CC1(c2ccccc2)CCCC[NH+]1CCOc1ccccc1C(=O)N1CCOCC1
SubComponent,Please substitute a CCOC(=O)c1cnc2cc(OC)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1Nc1cccc(Cl)c1Cl in the molecule halo with a nitrile.,CCOC(=O)c1cnc2cc(OC)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1Nc1cccc(C#N)c1Cl
DelComponent,Remove a halo from the molecule C=Cc1cnc(N2CC(O)CC2C)c(Cl)c1.,C=Cc1ccc(N2CC(O)CC2C)nc1
LogP,Optimize the molecule Clc1ccc2nc(CC3CC[NH2+]C3)sc2c1 to have a lower LogP value.,CC(=O)c1ccc2nc(CC3CC[NH2+]C3)sc2c1
MR,Please modify the molecule NS(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 to decrease its MR value.,O=[SH](=O)N1CC=C(c2c[nH]c3ccccc23)CC1
QED,Modify the molecule CCCC(CCBr)CC(=O)OCC to have a higher QED value.,CCCC(CCBr)C(O)C(=O)OCC
AtomNum,"The molecule is composed of 11 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1cc(NS(=O)(=O)N2CCOCC2)ccc1N
BondNum,"Please generate a molecule consisting 7 single bonds, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",N#Cc1cccc(NCC(F)(F)F)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 nitro group.",O=C(C[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1)Nc1ccccc1
AddComponent,Add a benzene ring to the molecule O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(Br)cc1F.,O=C(CCC(=O)c1ccc2c(c1)OCCO2)NC(c1ccccc1)c1ccc(Br)cc1F
SubComponent,Substitute a hydroxyl in the molecule CCCCC(CC)CC1(CC(CC)CCCC)c2cc(O)ccc2-c2ccc(O)cc21 with a thiol.,CCCCC(CC)CC1(CC(CC)CCCC)c2cc(O)ccc2-c2ccc(S)cc21
DelComponent,Modify the molecule halo by removing a O=C(CC[NH+]1CCCC1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1.,O=C(CC[NH+]1CCCC1)N1N=C(c2ccccc2)CC1c1ccco1
LogP,Please optimize the molecule CCOc1ccc2oc(-c3ccc(NC)cc3)nc2c1 to have a lower LogP value.,CCOc1ccc2oc(NC)nc2c1
MR,Modify the molecule Cc1ccc(NN)c(C(=O)NCC2(C)CC2)c1 to have a higher MR value.,Cc1ccc(NN)c(C(=O)NCC2(C)CC2O)c1
QED,Please modify the molecule CC(NC(=O)CCCOc1cccc(F)c1)(C(=O)[O-])c1ccc(F)cc1 to increase its QED value.,CC(NC(=O)CCCOF)(C(=O)[O-])c1ccc(F)cc1
AtomNum,"The molecule is composed of 11 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1ccc(C(O)CCCS(C)(=O)=O)cn1
BondNum,"Please generate a molecule with 23 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC[NH+](Cc3cscn3)CC2)C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amide groups, 1 nitro group, and 1 sulfide group.",Cc1cc(C(=O)N2CCCC2C(=O)N2CCN(c3nccs3)CC2)ccc1[N+](=O)[O-]
AddComponent,Please add a hydroxyl to the molecule CC(N)=NC1CC2CCC1[NH+](C)C2.,CC(N)=NC1CC2CCC1[NH+](C)C2O
SubComponent,Substitute a halo in the molecule NC(=[NH+]O)c1ccc(N(CCCO)C2CCC2)cc1Br with a hydroxyl.,NC(=[NH+]O)c1ccc(N(CCCO)C2CCC2)cc1O
DelComponent,Remove a nitrile from the molecule Cc1oc(C)c(-c2nc3cc(C#N)ccc3n2C)c1C.,Cc1oc(C)c(-c2nc3ccccc3n2C)c1C
LogP,Modify the molecule Clc1ccccc1-c1nnc(C[NH2+]Cc2cccnc2)o1 to decrease its LogP value.,N#Cc1ccc(-c2nnc(C[NH2+]Cc3cccnc3)o2)c(Cl)c1
MR,Please modify the molecule CNC(=O)CCCCCC(NC(=O)c1cscn1)c1[nH]c(-c2ccc(-c3ccn(C)n3)cc2)c[nH+]1 to decrease its MR value.,CNC(=O)CCCCCC(NC(=O)c1cscn1)c1[nH]c(-c2ccn(C)n2)c[nH+]1
QED,Modify the molecule Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NC(=O)C(C)NC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2C)CC1 to decrease its QED value.,Cc1cc(C(=O)Nc2ccc(O)cc2F)ccc1NC(=O)C(C)NC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2C)CC1
AtomNum,"The molecule consists of 35 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",Cc1c(Oc2ccccc2)c(C(=O)Nc2ccccc2)c(-c2ccccn2)c(C(=O)NCc2ccccc2)c1C(=O)OC(F)(F)F
BondNum,"Please generate a molecule composed of 18 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccnc(Nc2cccc(C3CN(C(=O)C4CCCCC4)CCO3)n2)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 1 sulfide group.",CC(C)c1sc(NC(=O)C2([NH3+])CCOCC2)nc1-c1ccccc1
AddComponent,Add a hydroxyl to the molecule Cn1c(C(=O)[O-])ccc1-c1ccc(F)c(F)c1.,Cn1c(C(=O)[O-])ccc1-c1ccc(F)c(F)c1O
SubComponent,Substitute a halo in the molecule CC(C)CC(=O)N1CCC(NC(=O)c2c(F)cccc2Cl)CC1 with a hydroxyl.,CC(C)CC(=O)N1CCC(NC(=O)c2c(O)cccc2Cl)CC1
DelComponent,Remove a halo from the molecule CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-n4cc(CCBr)nn4)cc3)c(=O)n2C1c1ccccc1.,CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-n4cc(CC)nn4)cc3)c(=O)n2C1c1ccccc1
LogP,Please modify the molecule [NH3+]CCCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1 to decrease its LogP value.,[NH3+]CC(CC=O)CCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1
MR,Please modify the molecule CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)NC(C)CC)CC2)c1 to increase its MR value.,CCOc1cccc(C[NH+]2CCC(O)(C(=O)Nc3ccccc3C(=O)NC(C)CC)CC2)c1
QED,Optimize the molecule CN(CC1CC[NH2+]1)C(=O)C1CCSCC1 to have a higher QED value.,O=C(C1CCSCC1)N(Cc1ccccc1)CC1CC[NH2+]1
AtomNum,"Please generate a molecule consisting 26 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",COc1cc(C(=O)NCc2ccc(NC(=O)C(C(N)=[NH2+])c3ccccc3)cc2)cc(OC)c1C
BondNum,"The molecule is composed of 16 single bonds, 2 double bonds, and 1 rotatable bond.",CC(C)[NH+]=C1NC(=O)C2(CCCCCCC2)N1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 halo groups, and 1 sulfone group.",C=CCN(C)S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F
AddComponent,Add a hydroxyl to the molecule CCC1CCC(COS(=O)(=O)c2ccc(C)cc2)N1C(=O)OCc1ccccc1.,CCC1CCC(COS(=O)(=O)c2ccc(C)c(O)c2)N1C(=O)OCc1ccccc1
SubComponent,Please substitute a Oc1ccc(Cl)cc1-c1cc2cccc(F)c2o1 in the molecule halo with a thiol.,Oc1ccc(S)cc1-c1cc2cccc(F)c2o1
DelComponent,Remove a benzene ring from the molecule CCNC(=O)c1cccc(NC(=S)NC(=O)c2cccc(OCCC(C)C)c2)c1.,CCNC(=O)NC(=S)NC(=O)c1cccc(OCCC(C)C)c1
LogP,Please modify the molecule CC1CCC(=O)N(Cc2ccc(F)c(C#CC[NH3+])c2)CC1 to decrease its LogP value.,CC1CCC(=O)N(Cc2ccc(O)c(C#CC[NH3+])c2)CC1
MR,Optimize the molecule O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 to have a lower MR value.,O=C1C(c2ccc(F)c(F)c2)n2c(nc3ccccc32)N1C1CC1
QED,Please modify the molecule FCc1ccc(NCCC2CC[NH2+]C2)c(Cl)c1 to decrease its QED value.,O=C([OH])Cc1ccc(NCCC2CC[NH2+]C2)c(Cl)c1
AtomNum,"The molecule consists of 11 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",COC(=O)C(C#N)=CNc1cccc(F)c1
BondNum,"The molecule contains 13 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",CC(Sc1nncn1-c1cccc(Cl)c1)C(=O)NC1CCCc2ccccc21
FunctionalGroup,"The molecule contains 1 amide group, and 1 sulfide group.",O=C([O-])c1csc(C(=O)NC2CC3CCC2C3)n1
AddComponent,Modify the molecule CCC1(C(=O)Nc2cccc(OCC[NH3+])c2)CCCC1 by adding a benzene ring.,[NH3+]CCOc1cccc(NC(=O)C2(CCc3ccccc3)CCCC2)c1
SubComponent,Substitute a hydroxyl in the molecule CC[NH+](CC)C(C)(CC)C(O)c1cc2cc(C)ccc2o1 with a carboxyl.,CC[NH+](CC)C(C)(CC)C(C(=O)[OH])c1cc2cc(C)ccc2o1
DelComponent,Please remove a C[NH2+]C1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccccc2)CC1 from the molecule benzene ring.,C[NH2+]C1CCN(C(=O)C2CCCN2[SH](=O)=O)CC1
LogP,Modify the molecule C[NH+](C)Cc1csc(C[NH+]2CCCC(c3ccc(C(=O)[O-])cc3)C2)c1 to have a lower LogP value.,C[NH+](C)Cc1csc(C[NH+]2CCCC(C(=O)[O-])C2)c1
MR,Modify the molecule CCC(CC#N)C(=O)c1ccccc1OC(F)F to increase its MR value.,CCC(S)(CC#N)C(=O)c1ccccc1OC(F)F
QED,Please modify the molecule CC(Oc1ccc2c(c1CSc1ncn[nH]1)CCCC2=O)(c1ccccc1)c1ncc[nH]1 to increase its QED value.,CC(Oc1ccc2c(c1CSc1ncn[nH]1)CCCC2=O)c1ncc[nH]1
AtomNum,Please generate a molecule consisting 28 carbon atoms.,Cc1ccc2c(c1)=c1cc(C)ccc1=c1ccc(C)cc1=c1cc(C)ccc1=2
BondNum,"The molecule has 17 single bonds, and 9 rotatable bonds.",COCC[NH2+]CCCC[NH+](C)C1CCOC1C
FunctionalGroup,"The molecule contains 1 benzene ring group, and 3 amine groups.",CCNC(Nc1ccc(OC)c(OC)c1)=[NH+]CCC(C)C
AddComponent,Please add a aldehyde to the molecule COc1cccnc1C([NH3+])c1cc(C)c(Br)c(C)c1.,COc1cccnc1C([NH3+])c1cc(C)c(Br)c(CCC=O)c1
SubComponent,Modify the molecule nitrile by substituting a CCOC(=O)c1c(N)c(C#N)nn1C with a hydroxyl.,CCOC(=O)c1c(N)c(O)nn1C
DelComponent,Modify the molecule CC1(C)C[NH+](CC(O)CBr)CC1O by removing a hydroxyl.,CC1(C)C[NH+](CCCBr)CC1O
LogP,Please modify the molecule COC(=O)C(CCCC#N)NC(=O)c1ccc(-c2ccccc2)cc1 to decrease its LogP value.,COC(=O)C(CCCC#N)NC(=O)c1ccccc1
MR,Optimize the molecule Cc1nc(N(C)C)ccc1B(O)O to have a higher MR value.,Cc1nc(N(C)C)ccc1B(O)C(=O)[OH]
QED,Please optimize the molecule C#Cc1ccccc1C(C(=O)Nc1c(C)cccc1Cl)N(CC#N)C(=O)C(NC(=O)OC(C)(C)C)C(C)C to have a lower QED value.,C#Cc1ccccc1C(C(=O)Nc1c(C)cccc1Cl)N(CC#N)C(=O)C(NC(=O)OC(C)(C)C)C(C)Cc1ccccc1
AtomNum,"The molecule consists of 14 carbon atoms, 2 nitrogen atoms, 2 sulfur atoms, and 2 chlorine atoms.",CC(Cl)c1nc2c(Cl)cccc2n1CC1CSCCS1
BondNum,"There is a molecule consisting of 11 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCCn1cc(C(C[NH3+])N(C)c2ccc(OC)cc2)cn1
FunctionalGroup,Please generate a molecule with and 2 benzene ring groups.,CC1(C)CCC(C)(C)c2nc3c(nc21)N(c1ccccc1)CN3c1ccccc1
AddComponent,Modify the molecule CC(C(=O)[O-])C(=O)N1CCCC1C1CCCC1 by adding a aldehyde.,CC(C(=O)[O-])C(=O)N1CCCC1C1CCC(CC=O)C1
SubComponent,Modify the molecule halo by substituting a CCOC(=O)C1CCCN(C(=O)CN(C)C(=O)Cn2c(-c3ccc(Cl)cc3)n[nH]c2=S)C1 with a thiol.,CCOC(=O)C1CCCN(C(=O)CN(C)C(=O)Cn2c(-c3ccc(S)cc3)n[nH]c2=S)C1
DelComponent,Please remove a benzene ring from the molecule C#CCOc1ccc(Br)cc1C[NH2+]CC(=O)OCC.,C#CCOC(Br)[NH2+]CC(=O)OCC
LogP,Optimize the molecule CC(Cl)c1nnc(NC2(C(C)C)CC2)o1 to have a lower LogP value.,CC(S)c1nnc(NC2(C(C)C)CC2)o1
MR,Modify the molecule Cc1cc(-c2ccccc2)nn1C(C)(C)C to have a lower MR value.,Cc1ccnn1C(C)(C)C
QED,Please optimize the molecule O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1)Nc1cccc(Cl)c1 to have a lower QED value.,CC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1Cc1ccco1
AtomNum,"There is a molecule composed of 10 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COCC(O)C[NH2+]CCN1CCSCC1
BondNum,"The molecule consists of 18 single bonds, 4 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC1(c2ccccc2Cl)NC(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 3 halo groups.",CCCCCCCC(Br)Cc1c(F)cccc1F
AddComponent,Modify the molecule CC[NH2+]Cc1ccc(CS(=O)(=O)N2CCCC2)cc1 by adding a thiol.,CC[NH2+]Cc1ccc(C(S)S(=O)(=O)N2CCCC2)cc1
SubComponent,Substitute a halo in the molecule Clc1ccc2c(c1)N(Cc1nccn1Cc1ccccc1)CCO2 with a carboxyl.,O=C([OH])c1ccc2c(c1)N(Cc1nccn1Cc1ccccc1)CCO2
DelComponent,Modify the molecule Cc1ccn2nc(NC3CCC(C)C3)nc2c1 by removing a amine.,Cc1ccn2nc(C3CCC(C)C3)nc2c1
LogP,Please modify the molecule COc1cc(C#N)ccc1NC1CS(=O)(=O)CC1O to decrease its LogP value.,COc1cc(C#N)ccc1NC1CS(=O)(=O)CC1NO
MR,Modify the molecule C[NH+](CCc1ccccc1)CC(=O)C1CCCC1 to decrease its MR value.,CC[NH+](C)CC(=O)C1CCCC1
QED,Modify the molecule CCN1CC(C)=C(c2ccccc2)C1=O to have a higher QED value.,CCN1CC(C)=C(c2ccccc2-c2ccccc2)C1=O
AtomNum,"Please generate a molecule with 19 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(C(=O)N2CCCC2c2cc(C(C)C)on2)cc1OC
BondNum,"Please generate a molecule with 11 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",O=C(CCC1Cc2ccccc2NC1=O)Nc1ccccc1-n1cncn1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ketone group, 1 amine group, and 2 sulfide groups.",COc1ccc(C(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1
AddComponent,Please add a hydroxyl to the molecule CC(C)N(C(C)C)P(OCCC#N)OCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.,CC(C)N(P(OCCC#N)OCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)O
SubComponent,Substitute a Cc1ccc(OCCCCC(C)(C)C#N)cc1N in the molecule nitrile with a aldehyde.,CC(=O)C(C)(C)CCCCOc1ccc(C)c(N)c1
DelComponent,Please remove a benzene ring from the molecule CN(Cc1ccccc1)c1nc2ncnc(SCC(=O)Nc3ccc(Br)cc3)c2s1.,CN(C)c1nc2ncnc(SCC(=O)Nc3ccc(Br)cc3)c2s1
LogP,Please modify the molecule O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CCC(C(=O)N2CCCC2)CC1 to increase its LogP value.,O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CCC2CCCC2C1
MR,Please modify the molecule NNC(=O)CCC[NH+]1Cc2ccccc2C1 to decrease its MR value.,NCC[NH+]1Cc2ccccc2C1
QED,Modify the molecule C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2Cl)C1 to have a higher QED value.,C[NH+]1CCC(C(Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, and 5 nitrogen atoms.",CCCc1ccc(NCCC2CN(C)CC[NH2+]2)nn1
BondNum,"Please generate a molecule composed of 18 single bonds, 4 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC1(C(=O)[O-])CC1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 1 halo group.",COc1cc(CC[NH+]2CCC(CCOc3ccccc3)CC2)ccc1Cl
AddComponent,Add a aldehyde to the molecule COCCOCCCOC1CC(O)C1OC.,COCCOCCCOC1(CC=O)CC(O)C1OC
SubComponent,Modify the molecule halo by substituting a CN(Cc1ccc(F)cc1)C(=O)COC(=O)CCc1ccc2ccccc2n1 with a nitrile.,CN(Cc1ccc(C#N)cc1)C(=O)COC(=O)CCc1ccc2ccccc2n1
DelComponent,Remove a amide from the molecule O=C(CNc1ccc(Br)cc1Br)NN=Cc1ccccc1O.,Oc1ccccc1C=NNc1ccc(Br)cc1Br
LogP,Modify the molecule CC12CCC(O)CC1=CCC1C2CCC2(C)C(O)C([NH+]3CCCCC3)CC12 to decrease its LogP value.,CC12CCC3(C(=O)O)C(CC=C4CC(O)CCC43C)C1CC([NH+]1CCCCC1)C2O
MR,Modify the molecule CCC1(CO)CC[NH+](C(C)c2nnc(-c3cccs3)o2)CC1 to increase its MR value.,CCC1(CO)CC[NH+](C(C)c2nnc(-c3cccs3)o2)CC1c1ccccc1
QED,Modify the molecule FC(F)(F)c1[nH]c(-c2cccc(Cl)c2)c[nH+]1 to have a lower QED value.,FC(F)(F)c1[nH]c(-c2ccccc2)c[nH+]1
AtomNum,"There is a molecule consisting of 30 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",C=C(CN1CC[NH2+]CC1)CN(CCOc1ccccc1C#N)C(=O)Nc1ccc(-c2ccccc2)cc1
BondNum,"There is a molecule consisting of 33 single bonds, 5 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",O=CC12CC1C=CCCCCCC(NC(=O)OC1CCCC1)C(=O)N1CC(Oc3nc4ccccc4nc3-c3cccs3)CC1C(=O)N2
FunctionalGroup,"The molecule consists of 1 hydroxyl group, and 1 amide group.",CCC(CC)(CO)NC(=O)C1Cc2ccccc2C1
AddComponent,Please add a benzene ring to the molecule CCc1cccc(C)c1NC(=S)NC(=O)CCC(=O)OCCCc1ccccc1.,CCc1ccc(-c2ccccc2)c(C)c1NC(=S)NC(=O)CCC(=O)OCCCc1ccccc1
SubComponent,Substitute a hydroxyl in the molecule O=C(C(COCc1ccccc1)N1CC[NH2+]CCNCC[NH2+]CC1)N(CCO)CCO with a aldehyde.,CC(=O)CCN(CCO)C(=O)C(COCc1ccccc1)N1CC[NH2+]CCNCC[NH2+]CC1
DelComponent,Remove a benzene ring from the molecule COC(=O)[N-]C(=S)C1(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)C[NH2+]Cc2ccccc2)CCC[NH2+]1.,C[NH2+]CC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1(C(=S)[N-]C(=O)OC)CCC[NH2+]1
LogP,Modify the molecule [NH3+]C1(CCOc2ccccc2Cl)CCCCC1 to decrease its LogP value.,[NH3+]C1(CCOc2ccccc2C(=O)[OH])CCCCC1
MR,Modify the molecule O=C(Nc1nccs1)c1cncc(Br)c1 to have a higher MR value.,CC(=O)c1cncc(C(=O)Nc2nccs2)c1
QED,Please modify the molecule Fc1ccc(C2C[NH+](Cc3ccc(-n4cccn4)cc3)CCO2)cc1 to increase its QED value.,c1ccc(C2C[NH+](Cc3ccc(-n4cccn4)cc3)CCO2)cc1
AtomNum,"There is a molecule with 22 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CCCCOCCOCCNC(NCC1CCN(c2cccc(OC)c2)C1)=[NH+]C
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 10 rotatable bonds, and 12 aromatic bonds.",CCCCCCCCCc1cc(-c2ccccc2)cc(C(=O)[O-])c1O
FunctionalGroup,"The molecule contains 2 amine groups, 1 halo group, and 1 sulfide group.",CCc1ccsc1CNc1nc(N)ncc1Cl
AddComponent,Please add a hydroxyl to the molecule CC(NC(=O)NC(C)c1ccncc1)c1ccccc1.,CC(NC(=O)NC(C)(O)c1ccncc1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cc1c(NC(=O)c2cccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)c4ccccc4)c3)c2)c(=O)n(-c2ccccc2)n1C with a hydroxyl.,Cc1c(NC(=O)c2cccc(NC(=O)c3ccc(O)c(S(=O)(=O)N(C)c4ccccc4)c3)c2)c(=O)n(-c2ccccc2)n1C
DelComponent,Remove a amine from the molecule Cc1cccc(NC(C)C(=O)NC2CCCC2)c1.,Cc1cccc(C(C)C(=O)NC2CCCC2)c1
LogP,Modify the molecule CCc1ccc(CC(O)c2snnc2C(C)(C)C)nc1 to have a higher LogP value.,CCc1ccc(CCc2snnc2C(C)(C)C)nc1
MR,Optimize the molecule Cc1ccc(Nc2ncnc3sc(C(=O)OCc4ccccc4)c(C)c23)cc1 to have a lower MR value.,Cc1ccc(-c2ncnc3sc(C(=O)OCc4ccccc4)c(C)c23)cc1
QED,Please optimize the molecule Clc1cc(Br)cc2c1NCC2 to have a lower QED value.,Oc1cc(Br)cc2c1NCC2
AtomNum,"There is a molecule composed of 12 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCOc1ccnc(NC(C)c2ccco2)n1
BondNum,"There is a molecule composed of 10 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",CC[NH2+]C(c1cccc2ccccc12)C(OC)C(C)C
FunctionalGroup,Please generate a molecule consisting and 2 amine groups.,CNc1n[nH]c(NCc2cc[nH]c2)n1
AddComponent,Add a benzene ring to the molecule CCN(C(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1.,CCN(C(=S)NC(=O)c1cc(-c2ccccc2)ccc1[N+](=O)[O-])c1ccccc1
SubComponent,Please substitute a CCC1(C)NC(=O)c2cc(OC(F)(F)F)ccc2O1 in the molecule halo with a hydroxyl.,CCC1(C)NC(=O)c2cc(OC(O)(F)F)ccc2O1
DelComponent,Modify the molecule C[NH2+]C(C)C(=O)NC(C(=O)N1CC(NC(=O)CCc2cn(C3CC(C(=O)NC4CCCc5ccccc54)N(C(=O)C(NC(=O)C(C)[NH2+]C)C(C)(C)C)C3)nn2)CC1C(=O)NC(C)c1ccccc1)C(C)(C)C by removing a amide.,C[NH2+]CC(C(=O)N1CC(n2cc(CCC(=O)NC3CC(C(=O)NC(C)c4ccccc4)N(C(=O)C(NC(=O)C(C)[NH2+]C)C(C)(C)C)C3)nn2)CC1C(=O)NC1CCCc2ccccc21)C(C)(C)C
LogP,Optimize the molecule CC[NH2+]Cc1scc(C)c1S(=O)(=O)NCCCSC to have a higher LogP value.,CC[NH2+]Cc1scc(C)c1S(=O)(=O)CCCSC
MR,Modify the molecule O=C1NC(=O)C2(CCC(C(=O)NCCc3cc(F)ccc3F)CC2)N1 to have a higher MR value.,O=C1NC(=O)C2(CCC(C(=O)NCCc3ccccc3F)CC2)N1
QED,Please optimize the molecule CCCc1ccc(C(=O)CN=[N+]=[N-])cc1 to have a higher QED value.,CCCC(=O)CN=[N+]=[N-]
AtomNum,"There is a molecule with 13 carbon atoms, 3 fluorine atoms, and 3 bromine atoms.",Fc1cc(F)c(C(Br)c2cc(Br)cc(Br)c2)c(F)c1
BondNum,"Please generate a molecule consisting 18 single bonds, 1 double bond, and 4 rotatable bonds.",CCC[NH2+]C1CCN(C(=O)NC2CCCC2)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfone group.",C[NH+]1CCN(C(=O)Cn2cc(S(=O)(=O)Cc3ccc(F)cc3)c3ccccc32)CC1
AddComponent,Add a benzene ring to the molecule Fc1cc2c(cc1Br)nc(CCCl)n2Cc1ccc(Cl)s1.,Fc1c(Br)cc2nc(CCCl)n(Cc3ccc(Cl)s3)c2c1-c1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1nc(-c2ccc(Br)cc2)nc(SCc2ccc(Cl)cc2)c1C(=O)[O-] with a aldehyde.,CC(=O)c1ccc(-c2nc(C)c(C(=O)[O-])c(SCc3ccc(Cl)cc3)n2)cc1
DelComponent,Please remove a benzene ring from the molecule C1=CC(CCCOCc2ccccc2)OCCC1.,COCCCC1C=CCCCO1
LogP,Modify the molecule Clc1ccc(CCCI)cc1 to decrease its LogP value.,CCCc1ccc(Cl)cc1
MR,Modify the molecule Cc1nn(C)c(NC(=O)C2CCCC(C(F)(F)F)C2)c1N to increase its MR value.,Cc1nn(C)c(NC(=O)C2CC(C(F)(F)F)CCC2c2ccccc2)c1N
QED,Optimize the molecule CCN(Cc1cccc(F)c1)C(=O)C1CC(Br)C[NH2+]1 to have a lower QED value.,CCN(Cc1cccc(F)c1)C(=O)C1CC(Br)C(O)[NH2+]1
AtomNum,"There is a molecule consisting of 9 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CN(Cc1cc([N+](=O)[O-])ccc1F)C(=O)[O-]
BondNum,"Please generate a molecule consisting 23 single bonds, 4 double bonds, 15 rotatable bonds, and 24 aromatic bonds.",COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(C)c2)C(Cc2ccccc2)C(=O)NCC(C)C)c2ccc(Cl)cc2)cc1OC
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amine group.",CC(C)Oc1cc(N)cc(N(C)C(C)C2CC2)c1
AddComponent,Add a benzene ring to the molecule Cn1ncc(Cl)c1C([NH3+])C1CCc2ccccc2C1.,Cn1ncc(Cl)c1C([NH3+])C1CCc2ccccc2C1c1ccccc1
SubComponent,Modify the molecule halo by substituting a NS(=O)(=O)c1cc(C(F)F)cs1 with a carboxyl.,NS(=O)(=O)c1cc(C(F)C(=O)[OH])cs1
DelComponent,Remove a COC(=O)C([NH3+])Cc1ccc2c(c1)OCC(c1ccc(OC(C)=O)cc1)O2 from the molecule benzene ring.,COC(=O)C([NH3+])Cc1ccc2c(c1)OCC(OC(C)=O)O2
LogP,Modify the molecule O=C(Cc1ccc(Br)cc1)NC1CCCN(C(=O)NCc2ccc(Cl)cc2)C1 to decrease its LogP value.,O=C(Cc1ccc(C(=O)[OH])cc1)NC1CCCN(C(=O)NCc2ccc(Cl)cc2)C1
MR,Please optimize the molecule O=C1C(=O)N(C2CCCCC2)C(=O)N1Cc1cccc(F)c1F to have a lower MR value.,O=C(C1CCCCC1)N(O)Cc1cccc(F)c1F
QED,Modify the molecule CNC(=O)Nc1ccc(F)c(C(N)=[NH+]O)c1 to increase its QED value.,CNC(=O)Nc1ccc(F)c(C(=[NH+])N)c1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC1CC[NH+](CC(=O)N2CCOC(C(=O)Nc3ccccc3)C2)CC1
BondNum,"There is a molecule composed of 16 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",[NH3+]Cc1nc(C[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)no1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 nitro group, and 1 halo group.",CC1CCC(C[NH3+])(Cc2cc(F)ccc2[N+](=O)[O-])C1
AddComponent,Modify the molecule Cc1c(C#N)ccc(N)c1C(=O)OCc1ccccc1 by adding a hydroxyl.,Cc1c(C#N)ccc(N)c1C(=O)OCc1cccc(O)c1
SubComponent,Modify the molecule halo by substituting a CC(C)NC(=O)CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 with a aldehyde.,CC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC(=O)NC(C)C)c2)cc1Cl
DelComponent,Remove a benzene ring from the molecule O=C1C(O)=C(c2cccc3ccccc23)C(c2ccccn2)N1c1ccc(Cl)cc1.,O=C1C(O)=C(c2cccc3ccccc23)C(c2ccccn2)N1Cl
LogP,Modify the molecule CCc1ccccc1-n1cc(Cl)cc1C(=O)[O-] to decrease its LogP value.,CCn1cc(Cl)cc1C(=O)[O-]
MR,Optimize the molecule O=C(NC(Cc1ccccc1Cl)C(O)C(=O)[O-])c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 to have a higher MR value.,O=C(NC(Cc1ccccc1Cl)C(O)C(=O)[O-])c1cc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2)n[nH]1
QED,Modify the molecule CC(C)(C)OC(=O)N1C(Cc2ccccc2)C(CC(C#N)Cc2ccccc2)OC1(C)C to increase its QED value.,CC(C#N)CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1Cc1ccccc1
AtomNum,"Please generate a molecule with 13 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC(C)(C)OC(=O)N1CC2=C(C1)OC(C[NH3+])CC2
BondNum,"The molecule consists of 4 single bonds, 1 rotatable bond, and 16 aromatic bonds.",Nc1ccc(-c2nc3ncc(Br)cc3[nH]2)c(O)c1
FunctionalGroup,"The molecule contains 1 ketone group, and 1 halo group.",CCOC(C(=O)c1cc2cc(Cl)ccc2o1)C(C)C
AddComponent,Add a hydroxyl to the molecule CC[NH2+]C(c1cnn(CC)c1)C1(OCC)CCC(C)CC1.,CC[NH2+]C(c1cnn(CC)c1)C1(OCC)CCC(CO)CC1
SubComponent,Substitute a halo in the molecule CCC[NH2+]C(c1cc(Br)ccc1I)C(C)(C)C with a aldehyde.,CC(=O)c1ccc(I)c(C([NH2+]CCC)C(C)(C)C)c1
DelComponent,Please remove a benzene ring from the molecule COc1cccc(OC)c1[Se+](C)C.,CO[Se+](C)(C)OC
LogP,Please modify the molecule c1ccc(OCC2=NNC(COc3ccccc3)=[NH+]N2)cc1 to decrease its LogP value.,Oc1ccc(OCC2=NNC(COc3ccccc3)=[NH+]N2)cc1
MR,Please modify the molecule COc1ccc(SC2CCC[NH2+]C2)c(C)c1 to decrease its MR value.,CO[SH](C)C1CCC[NH2+]C1
QED,Modify the molecule CC(C)CNC(=O)N1CCCC(C(=O)NC2CC(C)[NH+](C3CC3)C2)C1 to decrease its QED value.,CC(C)CNC(=O)N1CCCC(C(=O)NC2C[NH+](C3CC3)C(C)(O)C2)C1
AtomNum,"The molecule has 13 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",Cc1ccc(N2C(=O)COCC2CO)c(C)c1
BondNum,"The molecule has 9 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",OC1(c2ccccc2)C[NH2+]C(c2ccc(Cl)cc2)C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 amide group.",COc1ccc(C([NH2+]Cc2ccncc2)C(=O)NCCc2ccncc2)c(OC)c1
AddComponent,Modify the molecule CCCCN(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1C by adding a benzene ring.,CCCCN(C)C(=O)c1c(-c2ccccc2)nn(-c2ccc(Br)cc2)c1C
SubComponent,Modify the molecule halo by substituting a CCCCCN(C(=O)CC)C(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C with a aldehyde.,CC(=O)c1ccc(-n2c(C(C)N(CCCCC)C(=O)CC)nc3ccccc3c2=O)c(C)c1
DelComponent,Modify the molecule amide by removing a CSCCC(NC(=O)COc1ccc2cc(Br)ccc2c1)c1nnc2ccccn12.,CSCCC(Oc1ccc2cc(Br)ccc2c1)c1nnc2ccccn12
LogP,Modify the molecule CCCCCCSCC1C2CCC(O2)C1CSC(C)CCCC(=O)NO to have a lower LogP value.,CCCCCCSCC1C2CCC(O2)C1CSC(C)CCO
MR,Optimize the molecule CCc1ccc(OC)c(N(C)c2ccc(Br)c(C)n2)c1 to have a lower MR value.,CCc1ccc(OC)c(N(C)c2cccc(C)n2)c1
QED,Modify the molecule Cc1cc(Cn2oc(=O)[n-]c2=O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 to have a lower QED value.,Cc1cc(Cn2oc(=O)[n-]c2=O)cc(C)c1Oc1ccc(C#N)c(C(C)C)c1
AtomNum,"The molecule has 18 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC1CCCC(OC(C[NH3+])c2ccc3c(c2)COC(C)(C)O3)O1
BondNum,"Please generate a molecule with 6 single bonds, 4 rotatable bonds, and 43 aromatic bonds.",Cc1c(-c2cccc3c(-c4ccccc4)c(-c4ccccc4)n(C)c23)c2cc3ccccc3cc2n1-c1ccccc1
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amine groups, 1 nitro group, and 3 halo groups.",Nc1cc(NCCCC(F)(F)F)ccc1[N+](=O)[O-]
AddComponent,Please add a hydroxyl to the molecule CC1=C(c2ccccc2)C2(C(=O)COC2=O)c2ccccc21.,CC1=C(c2ccccc2)C2(C(=O)COC2=O)c2c(O)cccc21
SubComponent,Please substitute a halo in the molecule C[NH+](C)CCCOc1ccc(Br)cc1F with a hydroxyl.,C[NH+](C)CCCOc1ccc(O)cc1F
DelComponent,Remove a amine from the molecule CCOC(=O)C=C(C)c1cnc(N(c2ccccn2)N2CC[NH2+]CC2)nc1NC1CCCC1.,CCOC(=O)C=C(C)c1cnc(N(c2ccccn2)N2CC[NH2+]CC2)nc1C1CCCC1
LogP,Modify the molecule CCCc1ccc(CCc2cc(C(=O)c3ccccc3Cl)c(NC(=O)CI)s2)cc1 to have a lower LogP value.,CC(=O)c1ccccc1C(=O)c1cc(CCc2ccc(CCC)cc2)sc1NC(=O)CI
MR,Modify the molecule COC1(C2[NH2+]Cc3ccccc32)C=CC(C=Cc2ccccc2)C(S(=O)(=O)[O-])(S(=O)(=O)[O-])C1 to increase its MR value.,COC1(C2[NH2+]Cc3ccc(N)cc32)C=CC(C=Cc2ccccc2)C(S(=O)(=O)[O-])(S(=O)(=O)[O-])C1
QED,Please optimize the molecule CC(C)c1cc(C[NH2+]C2CC2)c2cc(F)ccc2n1 to have a lower QED value.,CC(Cc1ccccc1)c1cc(C[NH2+]C2CC2)c2cc(F)ccc2n1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 6 oxygen atoms, and 4 nitrogen atoms.",CC(C)(C)OC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCC(N)=O
BondNum,"There is a molecule consisting of 15 single bonds, 1 double bond, 9 rotatable bonds, and 22 aromatic bonds.",CCCc1cc(C[NH+]2CC(C(=O)[O-])C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, and 2 halo groups.",COC(=O)N(c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)c1c(CBr)c(-c2ccccc2)nc2c(F)cccc12
AddComponent,Add a benzene ring to the molecule Cc1ccc(C)c(-c2ncn(N)c2N)c1.,Cc1ccc(C)c(-c2ncn(N)c2N)c1-c1ccccc1
SubComponent,Substitute a nitrile in the molecule CC(C)C(NC(=O)c1ccccc1)C(=O)N1CSCC1C(=O)Nc1ccc(C#N)cc1 with a nitro.,CC(C)C(NC(=O)c1ccccc1)C(=O)N1CSCC1C(=O)Nc1ccc(NO)cc1
DelComponent,Remove a amine from the molecule CC1CCCCC1CNc1snc(N)c1C1CC1.,CC1CCCCC1CNc1sncc1C1CC1
LogP,Modify the molecule COc1cc(C)c(NCc2ccncn2)cc1OC to decrease its LogP value.,COc1cc(C)c(NCc2cc(O)ncn2)cc1OC
MR,Optimize the molecule Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3C[NH+]3CCCCC3)C2)cc1 to have a higher MR value.,Cc1ccc(S(=O)(=O)N2CC(C(=O)NCc3ccccc3C[NH+]3CCCCC3)CCC2CC=O)cc1
QED,Modify the molecule CCS(=O)(=O)CC(C)NCc1cncs1 to decrease its QED value.,CCS(=O)(=O)C(O)C(C)NCc1cncs1
AtomNum,"The molecule has 19 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CN(C)c1cc(C(=O)NCCCc2nc3ccccc3n2C)ccn1
BondNum,"There is a molecule consisting of 15 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CN1CCC[NH+]=C1Nc1ccc(C2CCCCC2)cc1
FunctionalGroup,The molecule consists of and 1 benzene ring group.,CCCCN(OC)c1cccc(C)c1
AddComponent,Modify the molecule C=CCn1c(CC)nc(-c2ccc(C(C)(C)C)cc2)c1N by adding a benzene ring.,C=CCn1c(CC)nc(-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1N
SubComponent,Substitute a nitrile in the molecule N#Cc1c[nH+]c(C(=O)Nc2ccc(C3CCN(C(=O)CNC(=O)C(F)(F)F)CC3)cc2C2=CCCCC2)[nH]1 with a hydroxyl.,O=C(Nc1ccc(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)cc1C1=CCCCC1)c1[nH]c(O)c[nH+]1
DelComponent,Remove a amine from the molecule Nc1ccc(NC(=O)Nc2cccc(S(=O)(=O)[O-])c2)c(Cl)c1.,O=C(Nc1cccc(S(=O)(=O)[O-])c1)Nc1ccccc1Cl
LogP,Please optimize the molecule O=C(CO)COP(=O)([O-])OP(=O)([O-])[O-] to have a higher LogP value.,CC(=O)COP(=O)([O-])OP(=O)([O-])[O-]
MR,Modify the molecule COC(=O)c1ccc(Cl)c(NC(=O)CC[NH+]2CCCCCC2)c1 to have a lower MR value.,COC(=O)c1ccc(C#N)c(NC(=O)CC[NH+]2CCCCCC2)c1
QED,Modify the molecule Cc1ccc(-n2c(-c3ccccc3)nn(C[NH+]3CCN(c4ncccn4)CC3)c2=S)cc1 to decrease its QED value.,Cc1ccc(-n2c(-c3ccccc3)nn(C[NH+]3CCN(c4nccc(O)n4)CC3)c2=S)cc1
AtomNum,"The molecule has 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 4 fluorine atoms.",NC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)C(F)(F)F
BondNum,"There is a molecule with 4 single bonds, 3 rotatable bonds, and 51 aromatic bonds.",Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)c2c4c(ccc2n3-c2ccccc2)sc2ccccc24)cc1
FunctionalGroup,The molecule contains and 3 benzene ring groups.,CCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1cccc(C)c1
AddComponent,Add a thiol to the molecule O=C1CCCC(C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)N1.,O=C1CCCC(S)(C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)N1
SubComponent,Substitute a halo in the molecule Cc1cccc(C(=O)NC2(CBr)CCCC(C)C2)n1 with a nitrile.,Cc1cccc(C(=O)NC2(CC#N)CCCC(C)C2)n1
DelComponent,Modify the molecule hydroxyl by removing a OCC1(C[NH+]2CCC(c3nnc4ccccn34)CC2)COC1.,CC1(C[NH+]2CCC(c3nnc4ccccn34)CC2)COC1
LogP,Optimize the molecule Cc1[nH]n(C2CCP(C)(=O)CC2)c(=O)c1N=Nc1cccc(C2CCCC(c3nn[n-]n3)C2)c1O to have a lower LogP value.,Cc1[nH]n(C2CCP(C)(=O)CC2)c(=O)c1N=NOC1CCCC(c2nn[n-]n2)C1
MR,Optimize the molecule Nc1cc(C(=O)[O-])c(F)cc1N1CCC[NH+](CCO)CC1 to have a higher MR value.,CC(=O)c1cc(N2CCC[NH+](CCO)CC2)c(N)cc1C(=O)[O-]
QED,Modify the molecule CCOC(c1ccccc1)C(CCC1CCCO1)[NH2+]C to decrease its QED value.,CCOCC(CCC1CCCO1)[NH2+]C
AtomNum,"The molecule consists of 8 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",COC(=O)c1nc([N+](=O)[O-])cc(N)c1C(F)F
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, 9 rotatable bonds, and 16 aromatic bonds.",NC(=O)CCCCCC(NC(=O)[O-])c1[nH]c(-c2ccc3ccccc3c2)c[nH+]1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",CCC[NH2+]C(C)(CC(N)=O)c1ccc(C)cc1
AddComponent,Please add a benzene ring to the molecule CSc1nc2nc(=O)c3ncn(C)c3n2[nH]1.,Cn1cnc2c(=O)nc3nc(SCc4ccccc4)[nH]n3c21
SubComponent,Please substitute a CC(O)CCSc1cccc(Br)c1 in the molecule halo with a carboxyl.,CC(O)CCSc1cccc(C(=O)[OH])c1
DelComponent,Please remove a nitrile from the molecule CC(C)(C)C(=O)N1CCCC(NC(=O)c2cccc(C#N)c2)C1.,CC(C)(C)C(=O)N1CCCC(NC(=O)c2ccccc2)C1
LogP,Modify the molecule COc1ccc(C(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2O)cc1 to have a higher LogP value.,COc1ccc(C(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc2O)cc1
MR,Modify the molecule CC1C[NH+](C)CCN1c1ccc(F)cn1 to increase its MR value.,CC1C[NH+](C)CCN1c1ccccn1
QED,Modify the molecule CC(C)(C)CS(=O)(=O)NC(C)(CCl)CCl to have a lower QED value.,CC(C)(C)CS(=O)(=O)C(C)(CCl)CCl
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",CCC1CCCN(S(=O)(=O)c2ccccc2F)CC1
BondNum,"There is a molecule consisting of 20 single bonds, and 4 rotatable bonds.",CCC1CCC(O)C(C[NH+]2CCCCCC2CO)C1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 amide group, 1 halo group, and 1 nitrile group.",N#Cc1ccc(Cc2[nH]c(C[NH+](Cc3cccc(Cl)c3)C3CCNC3=O)c[nH+]2)cc1Oc1ccccc1
AddComponent,Please add a hydroxyl to the molecule CC1CC2CC(C(=O)OCC3(COC(=O)C45CC(C)CC(CC(O)C4)C5)COC(C4C=C5CCCC(C5)C4)OC3)CC(O)(C1)C2.,CC1CC2CC(O)CC(C(=O)OCC3(COC(=O)C4CC5CC(C)C(O)C(O)(C5)C4)COC(C4C=C5CCCC(C5)C4)OC3)(C1)C2
SubComponent,Please substitute a halo in the molecule O=C(NCC1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OCCC12)c1ccc(Cl)cc1 with a nitrile.,N#Cc1ccc(C(=O)NCC2OC(=O)N3c4ccc(N5CCOCC5=O)cc4OCCC23)cc1
DelComponent,Please remove a CCCO[Si](OCCOCC)(c1ccccc1)c1ccccc1 from the molecule benzene ring.,CCCO[Si](OCCOCC)c1ccccc1
LogP,Modify the molecule Nc1cc(N)cc(Cc2ccc(C3CCC(C4CCC(Cc5ccccc5)CC4)CC3)cc2)c1 to increase its LogP value.,Nc1cc(N)cc(Cc2ccc(C3CCC(C4CCC(Cc5ccccc5)CC4c4ccccc4)CC3)cc2)c1
MR,Please optimize the molecule COC(C)(C)c1nc(=S)c(Br)c(CC(C)C)[nH]1 to have a lower MR value.,COC(C)(C)c1nc(=S)c(NO)c(CC(C)C)[nH]1
QED,Modify the molecule CC[NH+](CC(=O)[O-])C1CC(Nc2ncc(C(F)(F)F)cc2Cl)C1 to increase its QED value.,CC[NH+](CC(=O)[O-])C1CC(c2ncc(C(F)(F)F)cc2Cl)C1
AtomNum,"The molecule is composed of 11 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",CCS(=O)(=O)c1ccccc1NC(=O)CCBr
BondNum,"The molecule consists of 11 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccc(NC(N)=[NH+]CC(C)Oc2ccccc2F)cc1
FunctionalGroup,"The molecule contains 1 aldehyde group, 1 amine group, and 1 sulfide group.",Nc1ncc(-c2nc(N3CCOCC3)c3sc(CN4CCN(CC([NH3+])C=O)CC4)cc3n2)cn1
AddComponent,Please add a hydroxyl to the molecule C[NH+](Cc1cccc(C#N)c1)Cc1nnc(NN)s1.,C[NH+](Cc1nnc(NN)s1)C(O)c1cccc(C#N)c1
SubComponent,Please substitute a halo in the molecule Cc1cc(CNc2ccc(OC(F)(F)F)cc2)n(C)n1 with a nitro.,Cc1cc(CNc2ccc(OC(F)(F)NO)cc2)n(C)n1
DelComponent,Modify the molecule benzene ring by removing a Cc1cc(C(=O)CN2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)c(C)n1Cc1ccccc1.,Cc1cc(C(=O)CN2CC[NH+](CC(=O)NF)CC2)c(C)n1Cc1ccccc1
LogP,Please modify the molecule CC=CC(O)CCC=CCC(O)c1ccco1 to increase its LogP value.,CC=CC(C#N)CCC=CCC(O)c1ccco1
MR,Modify the molecule CN(C)S(=O)(=O)c1cccc(NC(=S)NCCSCc2ccsc2)c1 to have a lower MR value.,CN(C)S(=O)(=O)c1cccc(C(=S)NCCSCc2ccsc2)c1
QED,Please modify the molecule CCCCCCC(Br)c1ccc(-c2ccccc2)cc1 to increase its QED value.,CCCCCCC(C(=O)[OH])c1ccc(-c2ccccc2)cc1
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",COc1ccccc1C(C)=CC(=O)N1CC[NH+](C)Cc2ccccc21
BondNum,"The molecule is composed of 9 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCCc1nc(Cl)cc(NCc2cn(C)nc2C)n1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 2 halo groups.",CC=COc1ccc(CCC2CCC(c3ccc(CC)cc3)CC2)c(F)c1F
AddComponent,Modify the molecule CCc1ccc(-c2ccc(Cl)nc2C)cc1C1=C([O-])C(C)(C)OC(C)(C)C1=O by adding a nitrile.,CCc1ccc(-c2ccc(Cl)nc2CC#N)cc1C1=C([O-])C(C)(C)OC(C)(C)C1=O
SubComponent,Modify the molecule CC[NH+](CC(=O)NCCCC(=O)OC)CC(C)(C)O by substituting a hydroxyl with a thiol.,CC[NH+](CC(=O)NCCCC(=O)OC)CC(C)(C)S
DelComponent,Remove a halo from the molecule O=C([O-])C=Cc1cccnc1C(=O)Nc1ccc(F)cn1.,O=C([O-])C=Cc1cccnc1C(=O)Nc1ccccn1
LogP,Please optimize the molecule N#Cc1ccc(CSc2ccccc2C(=O)NCCCSc2ccc(F)cc2)cc1 to have a lower LogP value.,O=C(NCCCSc1ccc(F)cc1)c1ccccc1SCc1ccc(O)cc1
MR,Optimize the molecule CC(C)CCC(C)[NH2+]Cc1ccnc(C#N)c1 to have a higher MR value.,CC(C)CCC(C)[NH2+]Cc1ccnc(C#N)c1C(=O)O
QED,Please optimize the molecule CNC(=O)NC(=O)C[NH+]1CCC(C)CC1 to have a lower QED value.,CNC(=O)[NH+]1CCC(C)CC1
AtomNum,"The molecule consists of 13 carbon atoms, 2 oxygen atoms, and 1 iodine atom.",COc1ccc(C(CI)OCC(C)C)cc1
BondNum,"The molecule has 9 single bonds, 3 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(Sc2ccc(C=NNC(=O)c3ccco3)cc2[N+](=O)[O-])cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 1 sulfide group, and 1 sulfone group.",C[NH+]1CCN(S(=O)(=O)c2ccc3nc(NC(=O)Cc4ccccc4)sc3c2)CC1
AddComponent,Add a benzene ring to the molecule COc1ccccc1-c1cc(C#N)nn1CC(C)C.,COc1c(-c2ccccc2)cccc1-c1cc(C#N)nn1CC(C)C
SubComponent,Modify the molecule halo by substituting a CC(CC[NH3+])c1nc2cccc(Cl)c2s1 with a aldehyde.,CC(=O)c1cccc2nc(C(C)CC[NH3+])sc12
DelComponent,Remove a amine from the molecule CCCCn1nc(NC2CCCCC2)c(C(=O)OC)c1N.,CCCCn1cc(C(=O)OC)c(NC2CCCCC2)n1
LogP,Please modify the molecule CCC1CCN(c2cncc(Cl)n2)C(C[NH3+])C1 to decrease its LogP value.,CCC1CCN(c2cnccn2)C(C[NH3+])C1
MR,Modify the molecule NC(=[NH+]CCc1cccc(F)c1)N1CCN(c2nccs2)CC1 to increase its MR value.,CC(=O)c1cccc(CC[NH+]=C(N)N2CCN(c3nccs3)CC2)c1
QED,Please modify the molecule CN1C(=O)c2ccc(CC(=O)CS)cc2C1=O to increase its QED value.,CN1C(=O)c2cc(CC(=O)CS)cc(-c3ccccc3)c2C1=O
AtomNum,"The molecule has 12 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",COc1ccc(F)cc1C(=O)NCCSCC(=O)[O-]
BondNum,"There is a molecule composed of 16 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CC(N2CC[NH2+]CC2)C1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 4 amide groups, and 1 halo group.",CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(NC(=O)c4ccc(Cl)cc4)c3)CC2)c(C)c1
AddComponent,Please add a hydroxyl to the molecule COCCCNC(=O)CN(C)C(=O)c1cc(C)nc(Cl)c1.,COCCCNC(=O)C(O)N(C)C(=O)c1cc(C)nc(Cl)c1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ccccc1N=Cc1ccoc1O with a aldehyde.,CC(=O)c1occc1C=Nc1ccccc1C
DelComponent,Modify the molecule amide by removing a Cc1ccc(CN2CC(C(=O)N3CCCC(n4cc(C)cn4)C3)CC2=O)cc1.,Cc1ccc(C2CC2C(=O)N2CCCC(n3cc(C)cn3)C2)cc1
LogP,Please optimize the molecule C=CC1CC1(NC(=O)C1CC(ON=C2c3ccccc3-c3ccccc32)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)N1CCC1 to have a lower LogP value.,C=CC1CC1(NC(=O)C1CC(ON=C2c3ccccc3-c3cc(C(=O)O)ccc32)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)N1CCC1
MR,Please modify the molecule c1cccc(C=Nc2ccccc2)c#1 to decrease its MR value.,N=Cc1c#cccc1
QED,Please optimize the molecule O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OC1C(O)C(O)C(O)C(O)C1O to have a higher QED value.,O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OC1CC(O)C(O)C(O)C1O
AtomNum,"The molecule consists of 19 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=[N+]([O-])c1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1
BondNum,"Please generate a molecule consisting 10 single bonds, and 1 rotatable bond.",CSC1(O)CCCCN1[O-]
FunctionalGroup,There is a molecule consisting of and 3 benzene ring groups.,CC1CN2CC(c3ccccc3)[NH+](Cc3ccccc3)CC2CC1(C)c1cccc(C(=O)[O-])c1
AddComponent,Modify the molecule [NH3+]CCCC([NH3+])C(c1ccccc1)c1cnc[nH]1 by adding a benzene ring.,[NH3+]CCC(c1ccccc1)C([NH3+])C(c1ccccc1)c1cnc[nH]1
SubComponent,Substitute a hydroxyl in the molecule Cn1ccnc1CNC(=O)CC1CC2OC(C[NH2+]C3CCCCC3)C(O)C2O1 with a nitro.,Cn1ccnc1CNC(=O)CC1CC2OC(C[NH2+]C3CCCCC3)C(NO)C2O1
DelComponent,Please remove a CC(C)CN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C1CC1 from the molecule amide.,CC(C)C(Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C1CC1
LogP,Optimize the molecule COC(=O)CNP(=S)(OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)OC(C)C to have a higher LogP value.,CC(=O)C1C(O)C(COP(=S)(NCC(=O)OC)OC(C)C)OC1n1cnc2c(N)ncnc21
MR,Please optimize the molecule CC[NH2+]C(C)Cc1ccc(OCCCC(=O)N(C)C)cc1 to have a lower MR value.,CC[NH2+]C(C)COCCCC(=O)N(C)C
QED,Modify the molecule CCCCC(Sc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccc(C(=O)NCC(=NC)N[NH3+])s1 to have a higher QED value.,CCCCC(Sc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccc(C(=O)NCC([NH3+])=NC)s1
AtomNum,"The molecule contains 10 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",Cc1nc2ccc(SCCO)cc2[nH]1
BondNum,"There is a molecule composed of 4 single bonds, 1 rotatable bond, and 15 aromatic bonds.",Nc1ccn2c(-c3ccc(Br)o3)nc(Cl)c2c1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 2 amide groups, 1 thioether group, and 1 sulfide group.",COc1ccc(-c2nnc(SCC(=O)NC(=O)c3ccccc3OC)o2)cc1
AddComponent,Add a benzene ring to the molecule C=CCN(C(=O)N1CCOC(C(=O)[O-])C1)C(C)(C)C.,C=CCN(C(=O)N1CCOC(C(=O)[O-])C1)C(C)(C)Cc1ccccc1
SubComponent,Please substitute a halo in the molecule O=C(NN=Cc1ccccc1OC(F)F)c1cc(Br)c[nH]1 with a aldehyde.,CC(=O)C(F)Oc1ccccc1C=NNC(=O)c1cc(Br)c[nH]1
DelComponent,Remove a benzene ring from the molecule CC(C)(C)C1(C(O[Si](C)(C)C(C)(C)C)c2cccnc2)CCC(Cc2ccc(N)c(N)c2)N1C(=O)[O-].,CC(C)(C)C1(C(O[Si](C)(C)C(C)(C)C)c2cccnc2)CCC(CNN)N1C(=O)[O-]
LogP,Please optimize the molecule COc1cc(C(C)(C)CO)cc(Cl)c1OC1CC1 to have a lower LogP value.,COc1cc(C(C)(C)CNO)cc(Cl)c1OC1CC1
MR,Optimize the molecule CC(=O)N1CC[NH+](CC(O)C[NH+]2C3CCC2CC(NC(=O)n2c(=O)n(C(C)C)c4ccccc42)C3)CC1 to have a lower MR value.,CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)[NH+]3CC(O)C[NH+]2CCCC2)c2ccccc21
QED,Modify the molecule CNc1ccc(C)cc1C(=O)Nc1cccc(C(C)C)c1 to decrease its QED value.,Cc1ccc(C)c(C(=O)Nc2cccc(C(C)C)c2)c1
AtomNum,"The molecule has 20 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1ccc(-c2cc(NC(=O)c3ccc(CF)nc3C)ccc2Cl)nc1
BondNum,"The molecule contains 9 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",CCOCC([NH3+])c1ccc2c(c1)Cc1ccccc1-2
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 2 amine groups, 2 halo groups, and 1 sulfone group.",Cc1c(=O)n(C)c(Nc2ccc(I)cc2F)c2c(=O)n(C)c(=O)n(-c3cccc(CS(N)(=O)=O)c3)c12
AddComponent,Add a benzene ring to the molecule Cc1ncncc1-c1ccnc(N)c1.,Cc1ncncc1-c1cc(N)ncc1-c1ccccc1
SubComponent,Substitute a halo in the molecule CC(=O)c1cccn1Cc1ccc(Br)cc1Cl with a hydroxyl.,CC(=O)c1cccn1Cc1ccc(O)cc1Cl
DelComponent,Remove a CC(O)CC(Cl)c1cccc(-c2ccccc2)c1 from the molecule halo.,CC(O)CCc1cccc(-c2ccccc2)c1
LogP,Modify the molecule CC(C)(C)OC(=O)NCC(O)C[NH2+]CC1NC(=O)C1NC(=O)C(=NOC(C)(C)C(=O)[O-])c1csc(NC(=O)OC(C)(C)C)n1 to have a higher LogP value.,CC(C)(C)OC(=O)NCC(O)C[NH2+]CCNC(=O)C(=NOC(C)(C)C(=O)[O-])c1csc(NC(=O)OC(C)(C)C)n1
MR,Please optimize the molecule Cc1ccc(S(=O)(=O)c2cccc(O)c2)s1 to have a lower MR value.,Cc1ccc(S(=O)(=O)c2ccccc2)s1
QED,Modify the molecule [NH3+]C(CCNc1ccccc1)Cc1ccccc1 to decrease its QED value.,[NH3+]C(CCNc1ccccc1)Cc1ccccc1-c1ccccc1
AtomNum,"There is a molecule composed of 9 carbon atoms, 2 oxygen atoms, 1 sulfur atom, 1 chlorine atom, and 1 bromine atom.",O=S(=O)(CC(Br)CCl)c1ccccc1
BondNum,"Please generate a molecule composed of 6 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",c1ccc(C2=NOCCC2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 1 sulfide group.",CCc1ccsc1C(=O)NCc1cccc(CO)c1
AddComponent,Please add a hydroxyl to the molecule CCOc1ccc(-c2cc(=O)n(CCNC(=O)C3CCCO3)cn2)cc1.,CCOc1ccc(-c2cc(=O)n(C(O)CNC(=O)C3CCCO3)cn2)cc1
SubComponent,Modify the molecule halo by substituting a C=Cc1ccc(OCCCCCCOc2ccc(-c3ccc(OCCCCCCOCC4(CC)COC4)c(F)c3)cc2)cc1 with a thiol.,C=Cc1ccc(OCCCCCCOc2ccc(-c3ccc(OCCCCCCOCC4(CC)COC4)c(S)c3)cc2)cc1
DelComponent,Please remove a amide from the molecule CCCCCc1ccc(NC(=O)Cc2csc(N)n2)cc1.,CCCCCc1ccc(-c2csc(N)n2)cc1
LogP,Please optimize the molecule Fc1cc(F)c(CNc2ccc(Br)cc2F)cc1F to have a lower LogP value.,N#Cc1cc(F)c(CNc2ccc(Br)cc2F)cc1F
MR,Modify the molecule [NH3+]CCCCc1nc(CC2CCCCO2)no1 to increase its MR value.,[NH3+]CCCCc1nc(CC2CCC(c3ccccc3)CO2)no1
QED,Modify the molecule OC(Cc1ccc2ccccc2n1)(Cn1cncn1)c1ccc(F)cc1F to decrease its QED value.,OC(Cc1ccc2ccccc2n1)(Cn1cncn1)c1ccc(S)cc1F
AtomNum,"Please generate a molecule consisting 29 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 2 chlorine atoms.",CCOc1cc(C=C2N=C(c3sc4ccccc4c3Cl)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl
BondNum,"The molecule is composed of 10 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",COCC(CO)Nc1nc(NN)ncc1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 3 amide groups, and 3 halo groups.",O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C1CCCCC1C(F)(F)F
AddComponent,Please add a benzene ring to the molecule CCCc1cc(C(C)C)c(CC(C)C)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1.,CCCc1cc(C(C)C)c(CC(C)C)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1-c1ccccc1
SubComponent,Substitute a Nc1cc(-c2cncn2-c2ccc(Br)cc2Cl)ccn1 in the molecule halo with a nitro.,Nc1cc(-c2cncn2-c2ccc(NO)cc2Cl)ccn1
DelComponent,Remove a benzene ring from the molecule Cc1ccccc1C1CCCN1C(=O)c1csc(C[NH3+])n1.,CC1CCCN1C(=O)c1csc(C[NH3+])n1
LogP,Please optimize the molecule O=C(NC1C2CCC(C2)C1CO)c1ccc([N+](=O)[O-])cc1 to have a higher LogP value.,CC1C2CCC(C2)C1NC(=O)c1ccc([N+](=O)[O-])cc1
MR,Modify the molecule CCc1nc(C)c(C(=O)NC2CC(=O)N(Cc3ccc(F)cc3)C2)o1 to have a lower MR value.,CCc1nc(C)c(C(=O)NC2CC(=O)N(CF)C2)o1
QED,Please modify the molecule Cc1ccc(N2CC(c3nc4ccccc4n3CC(C)C)CC2=O)c(C)c1 to increase its QED value.,CCN1CC(c2nc3ccccc3n2CC(C)C)CC1=O
AtomNum,"There is a molecule consisting of 16 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",c1ccc(-c2nsc(N3CC[NH+](CC4CC4)CC3)n2)cc1
BondNum,"The molecule has 9 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCCCCSc1ccc(C[NH3+])cc1Br
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 5 amide groups, and 8 amine groups.",NC(=[NH2+])c1ccc(CNC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CC(N)=O)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)Cc2ccccc2)cc1
AddComponent,Please add a carboxyl to the molecule CCCCOCCCNC(=S)N1CC[NH2+]CC1.,CCCCOC(CCNC(=S)N1CC[NH2+]CC1)C(=O)O
SubComponent,Please substitute a halo in the molecule O=C(c1cc2c(cc1Cl)OCCCO2)C(F)(F)C(F)(F)F with a aldehyde.,CC(=O)c1cc2c(cc1C(=O)C(F)(F)C(F)(F)F)OCCCO2
DelComponent,Modify the molecule halo by removing a CCCCCC(I)CC(F)F.,CCCCCC(I)CCF
LogP,Optimize the molecule COc1ccc2c(c1)N(CCNC(C)=O)CC2C to have a higher LogP value.,CCN1CC(C)c2ccc(OC)cc21
MR,Optimize the molecule Cc1ccc(CNC(=O)c2sc3ncn(C)c(=O)c3c2C)cc1 to have a higher MR value.,Cc1ccc(CNC(=O)c2sc3ncn(C)c(=O)c3c2C)cc1C(=O)O
QED,Modify the molecule COc1cccc(C(=CCN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2ccccc2)c1 to increase its QED value.,COC(=CCN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1ccccc1
AtomNum,"There is a molecule consisting of 24 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc(NC(=O)c2c[nH+]c(SCc3nc4ccccc4[nH]3)n2-c2ccc(Cl)cc2)nc1
BondNum,"The molecule contains 9 single bonds, 5 rotatable bonds, and 18 aromatic bonds.",COc1ccc(Nc2ccnc(Nc3ccc(Cl)cc3Cl)n2)cc1Cl
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 3 amine groups, 2 thioether groups, 1 sulfide group, and 1 sulfone group.",C[NH+]=C(NCCc1cccc(C(=O)N(C)C)c1)NCCS(=O)(=O)N1CCSCC1
AddComponent,Modify the molecule CN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1-c1cccnc1)c1ccc2c(c1)CCO2 by adding a hydroxyl.,CN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1-c1cncc(O)c1)c1ccc2c(c1)CCO2
SubComponent,Substitute a halo in the molecule O=C(CCOCC(F)(F)F)N1CCCO1 with a nitro.,ONC(F)(F)COCCC(=O)N1CCCO1
DelComponent,Modify the molecule hydroxyl by removing a CCOC(=O)C(C(C)C)C(O)c1csc(C)n1.,CCOC(=O)C(Cc1csc(C)n1)C(C)C
LogP,Please modify the molecule CCOc1cc2sc(C(=O)CC(C)C(=O)[O-])cc2cc1Cl to decrease its LogP value.,CCOc1ccc2cc(C(=O)CC(C)C(=O)[O-])sc2c1
MR,Modify the molecule CC(C)Cc1cc(C(C)(C)CC(C)(C)C)cc(C(C)C)c1OC(C)(C)CCOC(C)[NH3+] to increase its MR value.,CC(C)Cc1cc(C(C)(C)CC(C)(C)CC(=O)O)cc(C(C)C)c1OC(C)(C)CCOC(C)[NH3+]
QED,Optimize the molecule CCNC(NCC(O)c1ccccc1F)=[NH+]Cc1ccc(S(C)(=O)=O)c(C)c1 to have a lower QED value.,Cc1cc(C[NH+]=C(NCCc2ccccc2)NCC(O)c2ccccc2F)ccc1S(C)(=O)=O
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",CC1=C(C(=O)CC(=O)[O-])C(c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1
BondNum,"There is a molecule composed of 15 single bonds, 3 double bonds, 6 rotatable bonds, and 20 aromatic bonds.",Cc1c(CC(=O)N2CC[NH+](CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)sc2ccc(Cl)cc12
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 2 ester groups, 8 halo groups, and 2 sulfide groups.",[NH3+]C(CC(Oc1ccc(C(F)(F)F)c(Cl)c1)c1ccsc1)OC(=O)C(=O)OC([NH3+])CC(Oc1ccc(C(F)(F)F)c(Cl)c1)c1ccsc1
AddComponent,Modify the molecule CNc1cc(N(C)C2CCCCC2)nc(C2CC2)n1 by adding a hydroxyl.,CNc1cc(N(C)C2CCC(O)CC2)nc(C2CC2)n1
SubComponent,Substitute a halo in the molecule FC(F)(F)Sc1ccccc1NCc1ccc(Cl)cc1Cl with a carboxyl.,O=C([OH])C(F)(F)Sc1ccccc1NCc1ccc(Cl)cc1Cl
DelComponent,Please remove a amide from the molecule CC(C)[NH+](CC(N)=O)Cc1cccc(C(=O)NN)n1.,CC(C)[NH+]Cc1cccc(C(=O)NN)n1
LogP,Modify the molecule COc1c(F)c(F)c(C)c(F)c1C(CC(=O)N(C(C)C)C(C)C)c1ccccc1 to have a lower LogP value.,COc1cc(F)c(C)c(F)c1C(CC(=O)N(C(C)C)C(C)C)c1ccccc1
MR,Modify the molecule C1=CCCC(C2=CC3C(CC2)SC2CCCCC2C32C3=C(Sc4ccccc42)C(C2CC=Cc4c2n(C2=CC=CCC2)c2ccccc42)CC=C3)=C1 to have a higher MR value.,C1=CCCC(n2c3c(c4ccccc42)C=CCC3C2CC=CC3=C2Sc2ccccc2C32C3C=C(C4=CC=CC(c5ccccc5)C4)CCC3SC3CCCCC32)=C1
QED,Please optimize the molecule CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3c-4oc4c3C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21 to have a higher QED value.,CC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C(C)(C)c3c-4oc4c3C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21
AtomNum,"There is a molecule consisting of 13 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",O=C(C[NH2+]CC1CC1)Nc1ccc(Cl)c(C(=O)[O-])c1
BondNum,"Please generate a molecule composed of 6 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",CCN(c1ccccc1)c1ccc(N)c(N)n1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 hydroxyl group, and 1 amide group.",CC(C)(C)OC(=O)NC(COCc1ccccc1)C(=O)NN=Cc1ccccc1O
AddComponent,Please add a hydroxyl to the molecule CC(C)C(CC(=O)C1(O[Si](C)(C)C)CC2CCC1(C)C2(C)C)NC(=O)OCc1ccccc1.,CC(C)C(CC(=O)C1(O[Si](C)(C)C)CC2CCC1(C)C2(C)C)NC(=O)OCc1cccc(O)c1
SubComponent,Please substitute a halo in the molecule Cn1nc2c(c1Br)C(C[NH3+])C(C)(C)CC2 with a hydroxyl.,Cn1nc2c(c1O)C(C[NH3+])C(C)(C)CC2
DelComponent,Please remove a halo from the molecule O=C(NCc1ccc(Cl)cc1)c1ccc2nc3ccccc3c(=O)n2c1.,O=C(NCc1ccccc1)c1ccc2nc3ccccc3c(=O)n2c1
LogP,Modify the molecule CCCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OC)cc2)c1 to have a lower LogP value.,CCCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OCC(=O)O)cc2)c1
MR,Please optimize the molecule Cc1nc2c(Cl)cc(C(F)(F)F)cn2c1C(=O)NC(C(=O)[O-])C(C)C to have a lower MR value.,Cc1nc2c(Cl)cc(C(F)F)cn2c1C(=O)NC(C(=O)[O-])C(C)C
QED,Please modify the molecule CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)O)cc1 to increase its QED value.,CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccc([N+](=O)O)cc1
AtomNum,"There is a molecule consisting of 9 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",COC(=O)c1nc(OC)c([N+](=O)[O-])c(Br)c1C
BondNum,"The molecule contains 8 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",Cc1nn(-c2c(C(=O)[O-])c(C)nn2C)c(C)c1C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 halo group, 2 thioether groups, and 1 sulfide group.",Fc1ccc(N2CCSCC2)cc1
AddComponent,Add a amine to the molecule CCOC(=O)C1CSCC[NH+]1Cc1nc(-c2ccc(F)cc2)no1.,CCOC(=O)C1CSC(N)C[NH+]1Cc1nc(-c2ccc(F)cc2)no1
SubComponent,Modify the molecule halo by substituting a COCC(C)CNc1ccc([N+](=O)[O-])cc1Br with a aldehyde.,CC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)COC
DelComponent,Please remove a benzene ring from the molecule CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)o1.,CN(C)S(=O)(=O)c1ccc(C(=O)NCCC(=O)[O-])o1
LogP,Optimize the molecule CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cc(-c4csc(NC)n4)ccc3OC)ccc21 to have a lower LogP value.,CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc4c(c3)S(=O)(=O)N=C(C)N4CCC(C)O)c2)cs1
MR,Optimize the molecule CCCCOc1ccc(NC(=O)C(C)Sc2ccc(NC(=O)C(=Cc3ccc(F)cc3)NC(=O)c3ccccc3)cc2)cc1 to have a lower MR value.,CCCCOc1ccc(NC(=O)C(C)Sc2ccc(NC(=O)C(=Cc3ccc(F)cc3)NC=O)cc2)cc1
QED,Please modify the molecule Cc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)NC(C(=O)Nc4cc(Cl)cc(Cl)c4)C(C)C)CC3)c(C)c2)c(F)c1 to decrease its QED value.,Cc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(=O)NC(C(=O)Nc4cc(Cl)cc(C(=O)[OH])c4)C(C)C)CC3)c(C)c2)c(F)c1
AtomNum,"There is a molecule composed of 8 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 fluorine atoms.",Cc1ncc(C=O)cc1C(F)F
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 9 rotatable bonds, and 5 aromatic bonds.",COCC(C)CNS(=O)(=O)c1c(C)csc1C[NH2+]C(C)C
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 1 halo group.",Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
AddComponent,Please add a hydroxyl to the molecule O=C(Nc1nc(C(=O)NCCc2ccncc2)cs1)c1cccc(C(F)(F)F)c1.,O=C(Nc1nc(C(=O)NCCc2ccncc2)c(O)s1)c1cccc(C(F)(F)F)c1
SubComponent,Please substitute a halo in the molecule COc1cccc(-c2cc(Cn3cnc(C)n3)cnc2OC(F)F)c1 with a carboxyl.,COc1cccc(-c2cc(Cn3cnc(C)n3)cnc2OC(F)C(=O)[OH])c1
DelComponent,Modify the molecule Cc1ccc(C(C(=O)NC2CCS(=O)(=O)C2)c2ccccn2)cc1 by removing a benzene ring.,CC(C(=O)NC1CCS(=O)(=O)C1)c1ccccn1
LogP,Modify the molecule CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(C)(C(=O)N2CC(F)C2)C3)ccn1 to have a lower LogP value.,CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(C)(C(=O)N2CC(S)C2)C3)ccn1
MR,Modify the molecule CN(C(=O)c1ccc(C(=O)[O-])cn1)C1CC[NH+](C)CC1 to increase its MR value.,CN(C(=O)c1ccc(C(=O)[O-])cn1)C1CC[NH+](C)C(CC=O)C1
QED,Optimize the molecule Cc1cc(CNc2nc(N)nc(Cl)n2)cc(C)c1F to have a lower QED value.,Cc1cc(CNc2nc(N)nc(S)n2)cc(C)c1F
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cn1ccc(-c2cc(C(=O)[O-])n(C3CCCC3)n2)c1
BondNum,"Please generate a molecule consisting 18 single bonds, 1 double bond, 1 triple bond, 8 rotatable bonds, and 11 aromatic bonds.",COc1ccc(C[NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 2 amine groups.",COc1ccc(C(N)=[NH+]O)cc1C
AddComponent,Modify the molecule CC(C)C[NH+]1CCN(c2ccc(CCl)cc2)CC1 by adding a benzene ring.,CC(C)C[NH+]1CCN(c2ccc(CCl)cc2-c2ccccc2)CC1
SubComponent,Please substitute a halo in the molecule COCC(C)(C)Nc1nc(NN)ncc1Br with a thiol.,COCC(C)(C)Nc1nc(NN)ncc1S
DelComponent,Modify the molecule benzene ring by removing a CC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)NC(Cc1ccccc1)P(=O)([O-])OC(Cc1ccccc1)C(=O)OCCCc1ccncc1.,CC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)NC(C)P(=O)([O-])OC(Cc1ccccc1)C(=O)OCCCc1ccncc1
LogP,Modify the molecule CC1CCC(CCCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)CC1 to increase its LogP value.,CC1CCC(CCCC[NH+]2CCC(C(C#N)(c3ccccc3)c3ccccc3)CC2)CC1
MR,Please optimize the molecule CN=C(NC(C(=O)N1CCCC1c1[nH]c(-c2ccc(-c3ccc(-c4c[nH+]c(C5CCCN5C(=O)C(C(C)C)N(C)C(=O)[O-])[nH]4)cc3)cc2)c[nH+]1)C(C)C)N(C)C#N to have a lower MR value.,CN=C(NC(C(=O)N1CCCC1c1[nH]c(-c2ccc(-c3ccc(-c4c[nH+]c(C5CCCN5C(=O)C(C(C)C)N(C)C(=O)[O-])[nH]4)cc3)cc2)c[nH+]1)C(C)C)N(C)O
QED,Modify the molecule CCC1CN(C2CCOC(CC)(CC)C2)C(C)C[NH2+]1 to have a higher QED value.,CCC1CN(C2CCOC(CC)(C(C)c3ccccc3)C2)C(C)C[NH2+]1
AtomNum,"There is a molecule consisting of 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 2 chlorine atoms, and 1 bromine atom.",[NH3+]Cc1occc1COc1cc(Cl)c(Br)cc1Cl
BondNum,"The molecule contains 9 single bonds, 1 triple bond, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C#N)c(OCc2ccc3c(c2)OCO3)n1
FunctionalGroup,"The molecule contains 1 amine group, and 1 sulfide group.",CCCn1c(C)ccc(-c2csc(NC(C)CC)n2)c1=O
AddComponent,Add a benzene ring to the molecule CC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc3nc(-c4cccs4)[nH]c3c2)C1=O.,CC1(c2cccc(-c3ccccc3)c2)NC(=O)N(CC(=O)Nc2ccc3nc(-c4cccs4)[nH]c3c2)C1=O
SubComponent,Modify the molecule halo by substituting a CC(C)C(CNC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O)Nc1ccccc1 with a aldehyde.,CC(=O)c1ccc(C2(C)NC(=O)N(CC(=O)NCC(Nc3ccccc3)C(C)C)C2=O)cc1
DelComponent,Modify the molecule amide by removing a C[NH+]1CCC(C(=O)N2CCc3ccc(F)c(F)c3C2)C1.,C[NH+]1CCC2c3c(ccc(F)c3F)CCC21
LogP,Please optimize the molecule CCc1ccc(O)c(NC(=O)CCc2ccc(N)cc2)c1 to have a higher LogP value.,CCc1ccc(C#N)c(NC(=O)CCc2ccc(N)cc2)c1
MR,Please optimize the molecule CCS(=O)(=O)N1CCOC2(CCCN(c3cccc(C#N)c3)C2)C1 to have a higher MR value.,CCS(=O)(=O)N1CCOC2(CCCN(c3cccc(Br)c3)C2)C1
QED,Please optimize the molecule CSCC(C)C(=O)N1CCC(C(=O)[O-])(C(C)C)C1 to have a lower QED value.,CSCC(C)C(=O)N1CCC(C(=O)[O-])(C(C)CO)C1
AtomNum,"The molecule consists of 12 carbon atoms, and 2 silicon atoms.",C[SiH2]C(C)(C)CC(C)(C)C[Si](C)(C)C
BondNum,"There is a molecule composed of 16 single bonds, 3 double bonds, 13 rotatable bonds, and 18 aromatic bonds.",O=C(CCCc1ccccc1)Nc1ccc(CCCC(=O)NC(Cc2ccccc2)C(=O)[O-])cc1
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 1 hydroxyl group, 3 amine groups, and 1 nitro group.",CCOc1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1O
AddComponent,Modify the molecule CCC([NH3+])C(=O)NCCCCOC by adding a benzene ring.,COCCCCNC(=O)C([NH3+])C(C)c1ccccc1
SubComponent,Please substitute a halo in the molecule O=C(NCc1cnn(-c2ccc(Cl)cc2)c1)N1CCC(c2ccccc2)C1 with a thiol.,O=C(NCc1cnn(-c2ccc(S)cc2)c1)N1CCC(c2ccccc2)C1
DelComponent,Remove a hydroxyl from the molecule CC([NH2+]C1CCCC1CO)C(=O)OC(C)(C)C.,CC([NH2+]C1CCCC1C)C(=O)OC(C)(C)C
LogP,Modify the molecule O=C(C1CCCC1)N1CC2(C1)C(c1ccccc1)C(CO)[NH+]2Cc1ccc(Cl)cc1 to increase its LogP value.,CC1C(c2ccccc2)C2(CN(C(=O)C3CCCC3)C2)[NH+]1Cc1ccc(Cl)cc1
MR,Please optimize the molecule C=CCNC(=S)NC=C(C(=O)OCC)C(=O)C(=O)OCC to have a higher MR value.,C=CCNC(=S)NC=C(C(=O)OCC)C(=O)C(=O)OC(C)O
QED,Please modify the molecule Nc1nc2nc(C(=O)NCc3ccc4c(c3)CN(c3c(N)c(=O)c3=O)CC4)cc(C(=O)NC3CCc4cc(-c5nc(=O)o[nH]5)ccc43)n2n1 to increase its QED value.,Nc1c(N2CCc3ccc(CNC(=O)c4cc(C(=O)NC5CCc6cc(-c7nc(=O)o[nH]7)ccc65)n5ncnc5n4)cc3C2)c(=O)c1=O
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",C=CCN(C#N)C(=O)CCCCC(N)=O
BondNum,"There is a molecule with 15 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",CN1OCC2C[NH2+]C(c3cccc(-c4cc(Cl)cc(Cl)c4)c3)CC21
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ketone group, and 1 halo group.",C[NH2+]CC(=O)c1cc(Cl)c(C)cc1C
AddComponent,Modify the molecule Nc1ccc(Cl)cc1NC(=O)Cn1ccc(=O)[nH]c1=O by adding a amine.,Nc1cc(N)c(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1Cl
SubComponent,Modify the molecule CC(=O)C(Cl)C(O)c1ccc(Cl)cc1 by substituting a hydroxyl with a aldehyde.,CC(=O)C(c1ccc(Cl)cc1)C(Cl)C(C)=O
DelComponent,Remove a C[NH+](Cc1ccc(Br)cc1)C1CCCC1C[NH3+] from the molecule halo.,C[NH+](Cc1ccccc1)C1CCCC1C[NH3+]
LogP,Optimize the molecule O=C1Nc2ccccc2C1=Cc1cc(Br)cc(Br)c1 to have a lower LogP value.,ONc1cc(Br)cc(C=C2C(=O)Nc3ccccc32)c1
MR,Please optimize the molecule C=C(C)CN(CC)C(=O)C[NH+]1CCCCC1(C)C(=O)[O-] to have a higher MR value.,C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2ccccc2)CC1(C)C(=O)[O-]
QED,Modify the molecule Cn1cc(NC(=O)C(=O)N2CC=C(c3ccccc3F)CC2)cn1 to have a higher QED value.,Cn1cc(NC(=O)C(=O)N2CC=C(c3ccccc3)CC2)cn1
AtomNum,"The molecule is composed of 27 carbon atoms, 5 oxygen atoms, 5 nitrogen atoms, and 1 silicon atom.",COC1c2cc(-n3[nH]c4ccccc4c3=O)ccc2OC(C(CCn2cc(CCO)nn2)[Si](C)(C)O)C1C
BondNum,"Please generate a molecule with 5 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",O=C(Nc1ccccc1Br)c1ccc(Cl)nc1
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 3 amine groups, 2 thioether groups, and 1 sulfide group.",CC(C)c1c(NN)ncnc1NCCSCCCO
AddComponent,Modify the molecule CC(C)(C)CCn1ccn(C2CC2)c1=O by adding a benzene ring.,CC(C)(CCn1ccn(C2CC2)c1=O)Cc1ccccc1
SubComponent,Substitute a Cc1cccc(Oc2nc(N)ccc2[N+](=O)[O-])c1F in the molecule nitro with a thiol.,Cc1cccc(Oc2nc(N)ccc2[SH]=O)c1F
DelComponent,Modify the molecule halo by removing a Cc1c(F)cccc1-n1ncc2c(OC(COCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(=O)Nc3ccc(C#N)cn3)ncnc21.,Cc1ccccc1-n1ncc2c(OC(COCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(=O)Nc3ccc(C#N)cn3)ncnc21
LogP,Please modify the molecule CCC([NH3+])Cc1cccc(OCc2ccc(Cl)cc2)c1 to decrease its LogP value.,CCC([NH3+])Cc1cccc(OCCl)c1
MR,Please optimize the molecule CC1CN(C2CCC2)C(=O)C12CCc1cc(C(=O)[O-])ccc1C2 to have a lower MR value.,CCCC1(C2Cc3ccc(C(=O)[O-])cc3C2)CCC1
QED,Modify the molecule Cn1c(-c2ccc(Cl)cc2)c(CCC(N)=O)c2cc(Cl)ccc21 to increase its QED value.,Cn1c(-c2ccc(O)cc2)c(CCC(N)=O)c2cc(Cl)ccc21
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COC(=O)CN(C)C(=O)C1C2CC3CC(C2)CC1C3
BondNum,"The molecule contains 16 single bonds, 1 double bond, 9 rotatable bonds, and 11 aromatic bonds.",CC[NH+](CC)C(CNC(NCc1nc(C)c(C)o1)=[NH+]C)Cc1ccccc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amide group.",COc1c2c(cc3c1C(c1nnnn1-c1cccc(C(=O)N4CC[NH+](C)CC4)c1)[NH+](C)CC3)OCO2
AddComponent,Modify the molecule CC[NH2+]C(Cc1cccs1)c1ncccc1CC by adding a hydroxyl.,CC[NH2+]C(Cc1cccs1)c1ncc(O)cc1CC
SubComponent,Modify the molecule Cc1csc(C(O)(CC(=O)NCCc2ccccc2)C(F)(F)F)n1 by substituting a hydroxyl with a carboxyl.,Cc1csc(C(CC(=O)NCCc2ccccc2)(C(=O)[OH])C(F)(F)F)n1
DelComponent,Modify the molecule amine by removing a CCCNc1nc2ccccc2n1CCC.,CCCc1nc2ccccc2n1CCC
LogP,Optimize the molecule O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1Cl to have a lower LogP value.,O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(O)cc1Cl
MR,Please optimize the molecule [NH3+]C(Cc1cccc(Cl)c1F)c1ccc(F)c(F)c1F to have a higher MR value.,[NH3+]C(Cc1cccc(C(=O)[OH])c1F)c1ccc(F)c(F)c1F
QED,Please modify the molecule CCC(=O)Nc1cc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4ccccc4C)ccc3C)CC2)ccc1Cl to decrease its QED value.,CC(=O)c1ccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4ccccc4C)ccc3C)CC2)cc1NC(=O)CC
AtomNum,"There is a molecule with 25 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 2 sulfur atoms.",CC(C)(C)OC(=O)NC1CCCN(c2nc3c(NS(C)(=O)=O)csc3c(=O)n2Cc2ccccc2C#N)C1
BondNum,"The molecule consists of 13 single bonds, 2 double bonds, 10 rotatable bonds, and 23 aromatic bonds.",CCCCCCOc1ccc2ccccc2c1N=Nc1ccc(N=Nc2ccccc2C)cc1C
FunctionalGroup,There is a molecule with and 1 benzene ring group.,CC(C)([NH3+])Cc1cccc(-c2c[nH]c(=O)[nH]2)c1
AddComponent,Add a carboxyl to the molecule CC(=O)NCc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1.,CC(=O)NCc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1C(=O)O
SubComponent,Substitute a COc1ccccc1C(C)Oc1ccc(F)c(N)c1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(OC(C)c2ccccc2OC)cc1N
DelComponent,Please remove a benzene ring from the molecule COc1ccc(OCC(=O)N2CCC(O)C2)cc1.,COOCC(=O)N1CCC(O)C1
LogP,Please modify the molecule Cn1cccc1CN(C(=O)CN(C(=O)c1ccc(Cl)cc1Cl)C1CC1)C1CC1 to decrease its LogP value.,Cn1cccc1CN(C(=O)CN(C(=O)c1ccc(Cl)cc1Cl)C1CC1N)C1CC1
MR,Please optimize the molecule CC(C)Oc1cc(Br)cc(NC(=O)N2CCC(O)C23CCCC3)c1 to have a lower MR value.,CC(C)Oc1cccc(NC(=O)N2CCC(O)C23CCCC3)c1
QED,Optimize the molecule CCNC(NCCc1cccc(C(=O)N(C)C)c1)=[NH+]CC(O)c1ccc(C(C)(C)C)cc1 to have a lower QED value.,CCNC(NCCc1cccc(C(=O)N(C)C)c1)=[NH+]CC(Br)c1ccc(C(C)(C)C)cc1
AtomNum,"The molecule contains 9 carbon atoms, and 2 nitrogen atoms.",C[NH2+]CC1(N)CCCC(C)C1
BondNum,"The molecule contains 16 single bonds, 4 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)C1=C(COC(=O)c2cccc(Cl)c2Cl)NC(=O)NC1c1cccs1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 1 amide group, and 2 halo groups.",CC(NC(=O)CC(CC(=O)[O-])C(=O)[O-])C(Cc1ccc(Cl)cc1)c1ccc(-c2ccccc2F)cc1
AddComponent,Please add a hydroxyl to the molecule COC(=O)C1=C(C)N(C(C)c2ccccc2)C(=O)C1=Cc1ccc(OC)c(OC)c1OC.,COc1ccc(C=C2C(=O)N(C(C)c3ccccc3)C(C)=C2C(=O)OCO)c(OC)c1OC
SubComponent,Please substitute a O=C([O-])Nc1nc(-c2cccc(Br)c2)c(CO)s1 in the molecule hydroxyl with a thiol.,O=C([O-])Nc1nc(-c2cccc(Br)c2)c(CS)s1
DelComponent,Please remove a C[NH+](C)CCN(c1ccc2c(c1)nc(Cc1ccc(C(N)=[NH2+])cc1)n2CC(=O)NCC(=O)[O-])S(=O)(=O)c1ccccc1 from the molecule amine.,C[NH+](C)CCN(c1ccc2c(c1)nc(Cc1ccc(C=[NH2+])cc1)n2CC(=O)NCC(=O)[O-])S(=O)(=O)c1ccccc1
LogP,Modify the molecule CCOc1ccc(CN(CC)C(=O)CCNC(=O)c2ccc(Br)cc2)cc1OC to increase its LogP value.,CCOc1ccc(CN(CC)C(=O)CCNC(=O)c2ccc(Br)c(-c3ccccc3)c2)cc1OC
MR,Optimize the molecule CC1CCc2ccccc2N1C(=O)C[NH2+]C(C)(C)c1ccc2c(c1)OCO2 to have a lower MR value.,CC(C)([NH2+]C1(C)CCc2ccccc21)c1ccc2c(c1)OCO2
QED,Please optimize the molecule CCOC(=O)C(C(=O)CCC(F)(F)F)=P(c1ccccc1)(c1ccccc1)c1ccccc1 to have a higher QED value.,CCOC(=O)C(C(=O)CCC(F)F)=P(c1ccccc1)(c1ccccc1)c1ccccc1
AtomNum,"Please generate a molecule with 17 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",COc1ccccc1OCC(=O)N1N=C2CCCCC2C1(O)C(F)(F)F
BondNum,"Please generate a molecule with 15 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",COc1ccc(C(O)C([NH3+])CC[NH+](C)C)cc1C(C)(C)C
FunctionalGroup,"The molecule has 1 benzene ring group, 2 hydroxyl groups, and 2 halo groups.",CCC(O)c1ccc(O)c(Cl)c1Cl
AddComponent,Please add a benzene ring to the molecule CC(=O)NC(CS)C(=O)NCS.,CC(=O)NC(CS)(C(=O)NCS)c1ccccc1
SubComponent,Substitute a halo in the molecule CC(C)Cc1nnc(NC(=O)c2cccc(N)c2Br)s1 with a aldehyde.,CC(=O)c1c(N)cccc1C(=O)Nc1nnc(CC(C)C)s1
DelComponent,Remove a halo from the molecule COc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.,COc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
LogP,Optimize the molecule Cc1nc(CNC(=O)C2=NN(c3ccccc3)C(C(=O)[O-])C2)sc1C to have a lower LogP value.,Cc1nc(CNC(=O)C2=NNC(C(=O)[O-])C2)sc1C
MR,Please modify the molecule CC(C)n1ncc2c(C(=O)OCC(=O)Nc3ccc(F)cc3Cl)cc(-c3ccccc3)nc21 to decrease its MR value.,CC(C)n1ncc2c(C(=O)Oc3ccc(F)cc3Cl)cc(-c3ccccc3)nc21
QED,Please optimize the molecule CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)CCn1cccc1C=O to have a higher QED value.,CCOC(=O)c1c(C(C)C)csc1NC(=O)CCn1cccc1C=O
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCN(CC)C(=O)C(C#N)=Cc1ccc(-c2ccccc2)o1
BondNum,"There is a molecule composed of 9 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(COc2cc(F)ccc2B(O)O)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 ester group.",COC(=O)C1C[NH+](Cc2ccccc2)CC1c1cccc(OC)n1
AddComponent,Modify the molecule CN(CC1CCCCC1)c1nc(N)nc2ccccc12 by adding a carboxyl.,CN(CC1CCCCC1)c1nc(N)nc2c(C(=O)O)cccc12
SubComponent,Substitute a hydroxyl in the molecule Cn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1cc(Br)ccc1O with a nitro.,Cn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1cc(Br)ccc1NO
DelComponent,Please remove a halo from the molecule COc1ccc(C(N)=[NH2+])c(N(C)Cc2ccccc2F)c1.,COc1ccc(C(N)=[NH2+])c(N(C)Cc2ccccc2)c1
LogP,Optimize the molecule CCOc1ncnc(SCc2cc(C)cc(C)c2)c1N to have a lower LogP value.,CCOc1ncnc(SC(C)C)c1N
MR,Please modify the molecule CCOC(=O)C1CCN(C(NCc2ccccc2OCC[NH+]2CCOCC2)=[NH+]C)CC1 to increase its MR value.,CCOC(=O)C1CCN(C(NCc2cc(N)ccc2OCC[NH+]2CCOCC2)=[NH+]C)CC1
QED,Optimize the molecule CC(C)Oc1ccc(CCNC(=O)CCn2cncn2)cc1 to have a lower QED value.,CC(C)Oc1ccc(CCNC(=O)CCn2cncn2)c(N)c1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COCCNc1ccc(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)nn1
BondNum,"The molecule consists of 7 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CCc1[nH]c(C[NH+](C)C)nc(=S)c1C
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",O=C(CCNC(=O)NC1CCCCC1)NCc1ccc(C(=O)[O-])cc1
AddComponent,Add a hydroxyl to the molecule CCNC(NCC[NH+](C(C)C)C(C)C)=[NH+]Cc1csc(CC)n1.,CCNC(NCC[NH+](C(C)C)C(C)(C)O)=[NH+]Cc1csc(CC)n1
SubComponent,Please substitute a CCn1cc[nH+]c1CCC(O)c1ccccc1 in the molecule hydroxyl with a aldehyde.,CC(=O)C(CCc1[nH+]ccn1CC)c1ccccc1
DelComponent,Remove a halo from the molecule COC(C(=O)Nc1cc(Br)cc2nc(C)oc12)C1CC1.,COC(C(=O)Nc1cccc2nc(C)oc12)C1CC1
LogP,Modify the molecule O=C1NN=C2C=C(c3cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c3)CC(c3cccc(Cl)c3)C12 to have a lower LogP value.,O=C1NN=C2C=C(c3cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c3)CC(Cl)C12
MR,Modify the molecule C#CCOc1ccc(Br)cc1C1CC(=O)Nc2ncnn21 to have a lower MR value.,C#CCOc1ccc(Br)cc1C1c2ncnn21
QED,Optimize the molecule COc1ccc2c(=O)c(C(=O)N3CCCC(C)C3)c[nH]c2c1 to have a lower QED value.,COc1ccc2c(=O)c(C(=O)N3CC(C)CCC3c3ccccc3)c[nH]c2c1
AtomNum,"The molecule consists of 18 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",Nc1cc(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cnc1C(=O)NC1COCCC1O
BondNum,"The molecule contains 26 single bonds, 1 double bond, 22 rotatable bonds, and 18 aromatic bonds.",CCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)OC
FunctionalGroup,There is a molecule consisting of and 3 benzene ring groups.,Cc1ccc(P(Oc2ccc(CC(C)C)cc2C(C)(C)C)Oc2ccc(CC(C)C)cc2C(C)(C)C)cc1
AddComponent,Modify the molecule IC1=C2N=c3c1c(-c1ccccc1)c1ccc(n31)C(c1ccccc1)=C1C=CC(=N1)C(c1ccccc1)=c1ccc([nH]1)=C2c1ccccc1 by adding a benzene ring.,IC1=C2N=c3c1c(-c1ccccc1)c1ccc(n31)C(c1ccccc1)=C1C=CC(=N1)C(c1ccccc1)=c1ccc([nH]1)=C2c1ccccc1-c1ccccc1
SubComponent,Please substitute a CCOc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1OCC(=O)N1CCOCC1 in the molecule halo with a nitro.,CCOc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2NO)ccc1OCC(=O)N1CCOCC1
DelComponent,Please remove a amine from the molecule CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=CSc3n[nH]c(=O)c(=O)n3C)CSC12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.,CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=CSc3n[nH]c(=O)c(=O)n3C)CSC12)c1csc(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
LogP,Modify the molecule O=C1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc2N1c1ccccc1 to have a higher LogP value.,O=C1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc2N1c1ccccc1-c1ccccc1
MR,Modify the molecule CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2coc3ccccc23)CCCC1 to have a lower MR value.,CC(C)C(C)(C)NC(=O)NCC1(c2coc3ccccc23)CCCC1
QED,Modify the molecule NC1=[NH+]C(CF)(c2cc(NC(=O)c3ccc(Br)cn3)cc(F)c2F)CC(N[NH3+])NO1 to decrease its QED value.,NC1=[NH+]C(CF)(c2cc(NC(=O)c3ccc(Br)cn3)cc(F)c2F)CC(N[NH3+])(c2ccccc2)NO1
AtomNum,"There is a molecule with 39 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",CCCNC(=O)c1cccc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4ccccc4C)c3C)CC2)C(C)C)c1C
BondNum,"Please generate a molecule consisting 7 single bonds, 5 rotatable bonds, and 10 aromatic bonds.",CC(C)C[NH2+]CCc1cccc2ccsc12
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 thioether group, 1 nitrile group, and 1 sulfide group.",Cc1ccc(-n2c(SCC(=O)NC(C)(C#N)C3CC3)nc3ccccc3c2=O)cc1C
AddComponent,Add a amine to the molecule CC(C)C1(CN)CCCC[NH2+]1.,CC(CN)C1(CN)CCCC[NH2+]1
SubComponent,Substitute a halo in the molecule COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2cc(C)nc(C[NH+]3CCOCC3)n2)c2ccccc12 with a carboxyl.,COc1ccc(C(F)(F)C(=O)[OH])cc1NC(=O)Nc1ccc(Oc2cc(C)nc(C[NH+]3CCOCC3)n2)c2ccccc12
DelComponent,Modify the molecule Cc1cc(CN(C)C(=O)C2CC2c2ccco2)cc(C)c1OCC(F)(F)F by removing a halo.,Cc1cc(CN(C)C(=O)C2CC2c2ccco2)cc(C)c1OCC(F)F
LogP,Optimize the molecule COc1ccc(C)cc1COc1ccc(C[NH3+])cc1F to have a higher LogP value.,CC(=O)c1cc(C[NH3+])ccc1OCc1cc(C)ccc1OC
MR,Optimize the molecule C=C1c2ccccc2NC(=O)N1Cc1ccccc1Cl to have a lower MR value.,C=C1c2ccccc2NC(=O)N1CCl
QED,Optimize the molecule N#Cc1ccc(NC(=O)CCn2cc(Br)cn2)cc1 to have a lower QED value.,N#Cc1ccc(NC(=O)CCn2cc(C#N)cn2)cc1
AtomNum,"Please generate a molecule with 18 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 phosphorus atom.",CCC(O)C(COP(=S)(NC(C)C(=O)OC(C)C)Oc1ccccc1)OC
BondNum,"Please generate a molecule composed of 8 single bonds, 1 triple bond, 4 rotatable bonds, and 5 aromatic bonds.",Cc1nc(CNCC(C)C#N)oc1C
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, 1 amine group, 1 halo group, and 1 nitrile group.",COc1cccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)c1
AddComponent,Please add a amine to the molecule O=C(NCc1ncon1)c1cccc2c1CC[NH2+]C2.,Nc1cc2c(c(C(=O)NCc3ncon3)c1)CC[NH2+]C2
SubComponent,Modify the molecule COc1ccc2c(N3CCCC3)c(C#N)c[nH+]c2c1 by substituting a nitrile with a halo.,COc1ccc2c(N3CCCC3)c(Cl)c[nH+]c2c1
DelComponent,Remove a Nc1nc(-c2ccc(Cl)c3cccnc23)ns1 from the molecule halo.,Nc1nc(-c2cccc3cccnc23)ns1
LogP,Please modify the molecule Cc1ccc(COc2cc(CC(=O)[O-])cc(-c3ccc(C(F)(F)F)cc3)c2)cc1 to increase its LogP value.,O=C([O-])Cc1cc(OCc2ccc(CS)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1
MR,Modify the molecule Cc1cc(C(Cl)(Cl)Cl)nc([NH+]=C(N)N)n1 to have a lower MR value.,Cc1cc(C(Cl)Cl)nc([NH+]=C(N)N)n1
QED,Modify the molecule CC1(C)COCCN1c1ccc(Br)cc1CCl to decrease its QED value.,CC(=O)c1ccc(N2CCOCC2(C)C)c(CCl)c1
AtomNum,"The molecule has 17 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 chlorine atom, and 1 bromine atom.",CC(C)(C)[NH2+]Cc1ccc(Oc2cc(Br)ccc2Cl)cc1
BondNum,"There is a molecule with 11 single bonds, 1 double bond, 1 triple bond, 7 rotatable bonds, and 5 aromatic bonds.",CCCCN(CC)C(C#N)c1ccc([N+](=O)[O-])s1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, and 2 halo groups.",CCNc1nc(Oc2cccc(Cl)c2F)nc(N(C)C)n1
AddComponent,Please add a hydroxyl to the molecule Cc1cccc(-c2c(Cl)[nH]c(=O)n(C3CCC3)c2=O)c1.,Cc1cccc(-c2c(Cl)[nH]c(=O)n(C3CCC3O)c2=O)c1
SubComponent,Substitute a halo in the molecule Cc1cc(-c2cc(CC(C)C)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)ccc1F with a nitrile.,Cc1cc(-c2cc(CC(C)C)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)ccc1C#N
DelComponent,Remove a hydroxyl from the molecule CCc1ccc2c(c1)c(CCCN1CC[NH2+]CC1)cn2CCO.,CCc1ccc2c(c1)c(CCCN1CC[NH2+]CC1)cn2CC
LogP,Optimize the molecule CC1CCCC1C(NN)C1=COCC1 to have a higher LogP value.,CC1CCCC1C(N)C1=COCC1
MR,Modify the molecule Cc1csc(CCCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 to have a higher MR value.,Cc1csc(CCCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(I=O)c3)cc2)n1
QED,Please modify the molecule CC(C)OC(=O)Cn1c(CC(N)=S)nc2ccccc21 to decrease its QED value.,CC(C)OC(=O)Cn1c(CC=S)nc2ccccc21
AtomNum,"The molecule has 13 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CCCC(=O)OC1C(C(C)(C)C)=CC(=O)N1C
BondNum,"Please generate a molecule consisting 9 single bonds, 2 double bonds, 4 rotatable bonds, and 24 aromatic bonds.",C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccn2)=C1c1ccccn1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 1 amine group.",COc1ccc(N)cc1C(=O)NCC1(O)CCCCCC1
AddComponent,Add a amine to the molecule O=C(NCCCCCO)c1ccc(-c2ccccc2)cc1.,Nc1ccccc1-c1ccc(C(=O)NCCCCCO)cc1
SubComponent,Modify the molecule O=c1nc(-c2ccc(OCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C[NH+]3CCC(C(F)(F)F)CC3)cc2OCC(F)(F)F)[nH]o1 by substituting a halo with a nitro.,ONC(F)(F)c1ccc(-c2nc(C[NH+]3CCC(C(F)(F)F)CC3)c(COc3ccc(-c4nc(=O)o[nH]4)c(OCC(F)(F)F)c3)s2)cc1
DelComponent,Modify the molecule benzene ring by removing a COCc1ccccc1CCCC[NH3+].,COCCCCC[NH3+]
LogP,Optimize the molecule C=CCOC(=O)N1CC(O)CC1Cc1cnn(C)c1CO to have a lower LogP value.,Cn1ncc(CC2CC(O)CN2C(=O)OCC=CN)c1CO
MR,Modify the molecule CCOC(=O)c1sc(SCC)nc1NC(N)=S to have a lower MR value.,CCOC(=O)c1sc(SCC)nc1NC=S
QED,Optimize the molecule C=C(C=CC=C(C)CON(C(C)=O)C(=O)C1c2ccccc2C(=O)N(C2CCCCC2NS(C)(=O)=O)C1c1ccc(Cl)cc1)COC(C)=O to have a lower QED value.,C=C(C=CC=C(C)CON(C(C)=O)C(=O)C1c2ccccc2C(=O)N(C2CCCCC2NS(C)(=O)=O)C1c1ccc(Cl)c(O)c1)COC(C)=O
AtomNum,"There is a molecule consisting of 30 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2ccccc2C(=O)N(C)C)CC1
BondNum,"The molecule has 10 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",FC(F)(F)Oc1ccccc1CC(Cl)(Cl)Cl
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfoxide group.",CC(CS(C)=O)NC(=O)C(c1ccccc1F)[NH+]1CCOCC1
AddComponent,Modify the molecule O=C(NC1CCCC2OCCC12)N1CCCC1CCO by adding a hydroxyl.,O=C(NC1CCCC2OCCC12)N1CCC(O)C1CCO
SubComponent,Please substitute a halo in the molecule CCCOC(=O)C1=C(C)Nc2nc(SCC)nn2C1c1cc(Br)ccc1OCc1ccc(Cl)cc1 with a carboxyl.,CCCOC(=O)C1=C(C)Nc2nc(SCC)nn2C1c1cc(C(=O)[OH])ccc1OCc1ccc(Cl)cc1
DelComponent,Remove a halo from the molecule CCc1cccc(NS(=O)(=O)c2ccc(F)cc2F)n1.,CCc1cccc(NS(=O)(=O)c2ccc(F)cc2)n1
LogP,Please modify the molecule COC1CC(n2c(N)nc3ccc(C#N)cc32)C1(C)C to increase its LogP value.,COC1C(c2ccccc2)C(n2c(N)nc3ccc(C#N)cc32)C1(C)C
MR,Please modify the molecule CC(C)(C)C1CC=C(CO)c2ccccc21 to decrease its MR value.,CC1=CCC(C(C)(C)C)c2ccccc21
QED,Please optimize the molecule N#Cc1cccc(Nc2ncc(Br)cc2N)c1 to have a lower QED value.,N#Cc1cccc(Nc2ncccc2N)c1
AtomNum,"There is a molecule with 11 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCC(C)C(NS(=O)(=O)N(C)CC(C)C#N)C(=O)[O-]
BondNum,"The molecule is composed of 20 single bonds, 4 double bonds, 11 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)c(C)c1
FunctionalGroup,Please generate a molecule consisting and 2 sulfide groups.,Cc1oc(-c2cccs2)nc1CN1CC[NH+](Cc2nc(-c3cccs3)oc2C)C(C)C1
AddComponent,Modify the molecule Nc1cc(N)cc(C(=O)c2cc3c(cc2Br)OCCO3)c1 by adding a thiol.,Nc1cc(N)c(S)c(C(=O)c2cc3c(cc2Br)OCCO3)c1
SubComponent,Modify the molecule O=C([O-])CCCCCC=CCCCCCCCCBr by substituting a halo with a nitrile.,N#CCCCCCCCCC=CCCCCCC(=O)[O-]
DelComponent,Remove a CCCC(=O)N1CCN(c2ccc(-n3cccc3)cc2)CC1 from the molecule benzene ring.,CCCC(=O)N1CCN(n2cccc2)CC1
LogP,Please optimize the molecule COC(=O)C(C)(C)[NH+](C)CCc1cccc(C)c1 to have a lower LogP value.,CCC[NH+](C)C(C)(C)C(=O)OC
MR,Please optimize the molecule CCC(C)NC(=O)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 to have a higher MR value.,CCC(CO)NC(=O)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1
QED,Optimize the molecule CCc1cccc(S(=O)(=O)NC)c1 to have a lower QED value.,CCc1cccc(S(C)(=O)=O)c1
AtomNum,"The molecule is composed of 21 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",COC(=O)CCC(=O)c1ccc(OCC(O)CNc2cnn(C(C)C)c(=O)c2Cl)cc1
BondNum,"There is a molecule with 16 single bonds, 1 double bond, 8 rotatable bonds, and 17 aromatic bonds.",CCCCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2C1c1ccc(OC)cc1OC
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, and 1 sulfone group.",O=S(=O)(NN=C1CC2CC1C1CC21)c1ccccc1
AddComponent,Add a benzene ring to the molecule CCOC(C)OCC(CC(C)(C)C)(C(=O)OC(C)(C)C12CC3CC1CC3C2)C(C)(C)C.,CCOC(C)OCC(CC(C)(C)C)(C(=O)OC(C)(C)C12CC3CC1CC3(c1ccccc1)C2)C(C)(C)C
SubComponent,Please substitute a halo in the molecule COC(=O)CNC(=O)c1nn(-c2cc(Cl)ccc2Cl)c2c1Cc1cc(OC)c(OC)cc1-2 with a carboxyl.,COC(=O)CNC(=O)c1nn(-c2cc(C(=O)[OH])ccc2Cl)c2c1Cc1cc(OC)c(OC)cc1-2
DelComponent,Remove a O=C(NCc1cccs1)C1CC12CCN(C(=O)c1ccccc1)C2 from the molecule amide.,O=C(c1ccccc1)N1CCC(CCc2cccs2)C1
LogP,Please modify the molecule COCc1cc(OC)ccc1CC(C)(C)[NH3+] to decrease its LogP value.,COCC(OC)C(C)(C)[NH3+]
MR,Please modify the molecule CC[NH+](CCc1ccncc1)C(C)(C)C(=O)[O-] to increase its MR value.,CC[NH+](C(O)Cc1ccncc1)C(C)(C)C(=O)[O-]
QED,Please modify the molecule CCN(Cc1ccc2c(c1)OCO2)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1 to increase its QED value.,CCN(Cc1ccc2c(c1)OCO2)C(=O)COC(=O)c1oc([N+](=O)[O-])cc1O
AtomNum,"There is a molecule with 13 carbon atoms, 2 nitrogen atoms, and 2 fluorine atoms.",CC(C)(c1cc(F)ccc1F)N1CC[NH2+]CC1
BondNum,"There is a molecule consisting of 10 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CC(C)C(Cn1nnnc1C[NH3+])C(C)C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 4 halo groups.",Brc1ccc(C(Br)c2cc3c(cc2Br)OCCO3)c(Br)c1
AddComponent,Modify the molecule O=C(CSc1nnc2sc3ccccc3n12)NCc1ccc(C(=O)N2CCCC2)cc1 by adding a nitrile.,N#Cc1cc(CNC(=O)CSc2nnc3sc4ccccc4n23)ccc1C(=O)N1CCCC1
SubComponent,Modify the molecule CC#Cc1c(Sc2cc(C)cc(C(F)(F)F)c2C#CC)cc(C)cc1C(F)(F)F by substituting a halo with a nitro.,CC#Cc1c(Sc2cc(C)cc(C(F)(F)NO)c2C#CC)cc(C)cc1C(F)(F)F
DelComponent,Please remove a hydroxyl from the molecule CCN(CC(C)(C)O)C(=O)C1CCC(=O)NC1.,CCN(CC(C)C)C(=O)C1CCC(=O)NC1
LogP,Modify the molecule COc1cc(C[NH2+]CC2(O)CCC2)c(Br)cc1O to have a lower LogP value.,COc1cc(C[NH2+]CC2(O)CCC2)ccc1O
MR,Please modify the molecule CC(=O)c1cnn(-c2ccccc2)c1 to increase its MR value.,CC(=O)c1cnn(-c2ccccc2)c1O
QED,Please modify the molecule CCOC(=O)C1=C(c2ccccc2)C(=O)C2C3OC(CC3O)C12 to decrease its QED value.,CCOC(=O)C1=C(c2ccccc2)C(=O)C2C3OC(c4ccccc4)(CC3O)C12
AtomNum,"The molecule contains 13 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC(=O)c1sc(C2CCCO2)nc1C(C)(C)C
BondNum,"There is a molecule consisting of 11 single bonds, 1 double bond, and 9 rotatable bonds.",CC=CCCCCCCCCCO
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 2 amide groups, and 1 amine group.",CCC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(C(=O)NCc3ccccc3)c2)c1
AddComponent,Please add a hydroxyl to the molecule Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cscc1CCN1CCOCC1=O.,O=C1COCCN1CCc1cscc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1CO
SubComponent,Substitute a nitrile in the molecule Cc1cc2[nH]c3c(C#N)c(OC(=O)N(C)C)c(C)c(=O)n3c2cc1C with a halo.,Cc1cc2[nH]c3c(I)c(OC(=O)N(C)C)c(C)c(=O)n3c2cc1C
DelComponent,Remove a amide from the molecule COc1ccc(NC(=O)CNC(=O)c2ccc(Br)cc2)cc1Cl.,COc1ccc(NC(=O)c2ccc(Br)cc2)cc1Cl
LogP,Modify the molecule CCCN(c1cc(C(=O)OCC)ccc1N)C1CC1 to have a lower LogP value.,CCCN(c1c(N)ccc(C(=O)OCC)c1N)C1CC1
MR,Optimize the molecule Cc1ccc(NC(=O)Oc2ccc(Cl)cc2)cc1 to have a lower MR value.,Cc1ccc(NC(=O)Oc2ccccc2)cc1
QED,Optimize the molecule Fc1ccc(OCCCSc2nnc(Cc3cccs3)n2C2CC2)cc1 to have a higher QED value.,c1ccc(OCCCSc2nnc(Cc3cccs3)n2C2CC2)cc1
AtomNum,"The molecule has 14 carbon atoms, and 3 oxygen atoms.",CCOC1C(=O)CC1Oc1ccc(C)cc1C
BondNum,"There is a molecule consisting of 19 single bonds, 4 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",C=CCN1C(=O)C(c2ccc(OC(C)C)cc2)=C([NH+]2CCCC(C)C2)C1=O
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amine group, and 1 sulfone group.",CCc1ccc(S(=O)(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc1
AddComponent,Add a aldehyde to the molecule C#CCOc1c(Br)cc(C=C2SC(Nc3ccc(Cl)cc3C)NC2=O)cc1OC.,C#CCOc1c(Br)cc(C=C2SC(CC=O)(Nc3ccc(Cl)cc3C)NC2=O)cc1OC
SubComponent,Modify the molecule halo by substituting a O=C1C(Br)CCCC1c1cc(Cl)cc(Cl)c1 with a carboxyl.,O=C([OH])C1CCCC(c2cc(Cl)cc(Cl)c2)C1=O
DelComponent,Modify the molecule halo by removing a O=S(=O)(Cl)Cc1ccnn1-c1ccccc1.,O=[SH](=O)Cc1ccnn1-c1ccccc1
LogP,Optimize the molecule C#CCNc1cc[nH+]c2sc3c(=O)n(-c4ccc(OC)c(F)c4)ccc3c12 to have a lower LogP value.,C#CCNc1cc[nH+]c2sc3c(=O)n(-c4ccc(OC)c(O)c4)ccc3c12
MR,Please optimize the molecule COCC1CCN(C(=O)NC2CCOC3(CCOCC3)C2)CC1 to have a higher MR value.,COCC1CCN(C(=O)NC2CCOC3(CCOCC3O)C2)CC1
QED,Modify the molecule CCCNc1c(C(C)C)c(C)[nH+]c2cc(F)cc(F)c12 to have a lower QED value.,CCCc1c(C(C)C)c(C)[nH+]c2cc(F)cc(F)c12
AtomNum,"The molecule contains 10 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",COCC([NH3+])COCCC(C)(C)C
BondNum,"There is a molecule composed of 13 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC[NH+]1CCCC(NC(=O)c2cnc(N)c(Cl)c2)C1
FunctionalGroup,"The molecule contains 1 amide group, and 1 sulfide group.",CCOC(=O)Nc1nc2c(s1)CN(C(=O)c1c(C)nc3ccccn13)CC2
AddComponent,Add a benzene ring to the molecule CCCCCSc1ncc(CC(C)[NH3+])cn1.,CCCCC(Sc1ncc(CC(C)[NH3+])cn1)c1ccccc1
SubComponent,Substitute a O=C([O-])C1CCC[NH+]1Cc1cc(Br)cc2cccnc12 in the molecule halo with a carboxyl.,O=C([OH])c1cc(C[NH+]2CCCC2C(=O)[O-])c2ncccc2c1
DelComponent,Modify the molecule Cc1n[nH]c(C)c1S(=O)(=O)NCc1ccc(O)cc1 by removing a benzene ring.,Cc1n[nH]c(C)c1S(=O)(=O)NCO
LogP,Optimize the molecule CCOC=Cc1c2c(C(=O)OC)cccc2nn1-c1ccc(C#N)cc1 to have a lower LogP value.,COC(=O)c1cccc2nn(-c3ccc(C#N)cc3)c(C=COCCN)c12
MR,Modify the molecule Cc1ccc(C(c2ccc(C)cc2C)C(C)OC(=O)C(C)NC(=O)OC(C)(C)C)c(C)c1 to have a higher MR value.,Cc1ccc(C(c2ccc(C)cc2Cc2ccccc2)C(C)OC(=O)C(C)NC(=O)OC(C)(C)C)c(C)c1
QED,Optimize the molecule COc1ccc(NC(=O)NCc2ccc(-n3c(-c4cccnc4N)nc4cccnc43)cc2)cc1 to have a higher QED value.,CONC(=O)NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1
AtomNum,"The molecule consists of 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",Cc1nc2c(s1)C([NH2+]CCC(O)C(C)C)CCC2
BondNum,"There is a molecule consisting of 11 single bonds, 3 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",Cc1c(C(=O)NNC(=O)CCNc2ccccc2[N+](=O)[O-])oc2ccccc12
FunctionalGroup,There is a molecule with and 1 benzene ring group.,O=c1cc(-c2ccccc2)[nH]c(C2CCOC2)n1
AddComponent,Please add a benzene ring to the molecule O=C(NC1CCN(C(=O)Nc2cccc3ccccc23)CC1)c1ccco1.,O=C(NC1CCN(C(=O)Nc2cc(-c3ccccc3)cc3ccccc23)CC1)c1ccco1
SubComponent,Substitute a halo in the molecule O=C([O-])Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3o2)c(=O)c2ccccc12 with a nitro.,ONC(F)(F)c1ccc2oc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)nc2c1
DelComponent,Modify the molecule hydroxyl by removing a CCOc1cc(C=NNc2ccc(C(=O)[O-])cn2)cc(Cl)c1O.,CCOc1cc(Cl)cc(C=NNc2ccc(C(=O)[O-])cn2)c1
LogP,Modify the molecule Cc1ccc(O)c(C(=O)OCC(=O)c2cccc(F)c2)c1 to have a lower LogP value.,Cc1ccc(O)c(C(=O)OC(O)C(=O)c2cccc(F)c2)c1
MR,Please optimize the molecule CCC[NH2+]C(CCc1ccc(F)c(F)c1)CC(C)C to have a higher MR value.,CCC[NH2+]C(CCc1cccc(F)c1)CC(C)C
QED,Modify the molecule O=C([O-])CC1CN(Cc2ccccc2)CC1[N+](=O)[O-] to have a lower QED value.,O=CCc1cccc(CN2CC(CC(=O)[O-])C([N+](=O)[O-])C2)c1
AtomNum,"There is a molecule consisting of 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 bromine atom.",C[NH+]1CCCCC1CNC(=O)CCCCBr
BondNum,"There is a molecule consisting of 15 single bonds, 1 double bond, 1 rotatable bond, and 16 aromatic bonds.",Cc1ccc2[nH]nc(C(=O)N3CCC4(CC3)c3ccccc3C([NH3+])C4O)c2c1
FunctionalGroup,There is a molecule composed of and 1 amine group.,CCc1cc2n(n1)C(C1CC1)CCN2
AddComponent,Modify the molecule Clc1ccc(-n2nnnc2CSc2nc3ccccc3[nH]2)cc1 by adding a amine.,Nc1cccc2nc(SCc3nnnn3-c3ccc(Cl)cc3)[nH]c12
SubComponent,Modify the molecule hydroxyl by substituting a CCC(=Cc1oc2ccc(Cl)cc2[n+]1CCCSOOO)C=C1Oc2ccc(-c3ccccc3)cc2[N+]12CC2S(=O)(=O)O with a nitrile.,CCC(=Cc1oc2ccc(Cl)cc2[n+]1CCCSOOC#N)C=C1Oc2ccc(-c3ccccc3)cc2[N+]12CC2S(=O)(=O)O
DelComponent,Please remove a halo from the molecule O=C(Cc1sccc1Br)c1ccncc1Cl.,O=C(Cc1sccc1Br)c1ccncc1
LogP,Modify the molecule CC(NC(=O)C[NH+](C)CCc1ccc(F)cc1)c1cccc2ccccc12 to increase its LogP value.,CC(=O)c1ccc(CC[NH+](C)CC(=O)NC(C)c2cccc3ccccc23)cc1
MR,Modify the molecule COCC(C)CC(=O)Nc1cc(Cl)ccc1C#CCO to increase its MR value.,COCC(C)CC(=O)Nc1cc(Cl)c(N)cc1C#CCO
QED,Modify the molecule COc1cccc(C2CN(C(=O)C(C)(C)C)C3CC[NH+](Cc4ccc(C)cc4)CC23)c1 to have a lower QED value.,COc1cc(C(=O)O)cc(C2CN(C(=O)C(C)(C)C)C3CC[NH+](Cc4ccc(C)cc4)CC23)c1
AtomNum,"There is a molecule with 32 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",Cc1csc(NC(=O)CSc2ccc(NC(=O)C(=Cc3cccc4ccccc34)NC(=O)c3ccccc3)cc2)n1
BondNum,"There is a molecule consisting of 19 single bonds, 2 double bonds, 7 rotatable bonds, and 24 aromatic bonds.",COc1cc(C=Nc2ccc(C3Nc4ccc(C)cc4C4C=CCC43)cc2)cc(Br)c1OCc1ccc(Br)cc1
FunctionalGroup,"The molecule has 1 hydroxyl group, 7 amide groups, and 3 amine groups.",CC(C)CC(NC(=O)C(CC1CCCCC1)NC(=O)C([NH3+])CO)C(=O)NC(CC(C)C)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CC(N)=O)C(=O)N1CCCC1C(=O)[O-]
AddComponent,Please add a hydroxyl to the molecule COc1ccc(-c2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2-c2ccccc2)cc1.,COc1ccc(-c2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4O)o3)n2-c2ccccc2)cc1
SubComponent,Substitute a O=C(Cn1[nH]c(=O)c2cc(Cl)ccc21)n1ccc2ccc(Oc3cccnc3)cc21 in the molecule halo with a aldehyde.,CC(=O)c1ccc2c(c1)c(=O)[nH]n2CC(=O)n1ccc2ccc(Oc3cccnc3)cc21
DelComponent,Modify the molecule COc1ccc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)C3)cs2)cc1 by removing a benzene ring.,COc1nc(C[NH+]2CCC3(CC[NH2+]C3)C2)cs1
LogP,Please optimize the molecule CN(c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)C1CCCN(C(=O)OC(C)(C)C)C1 to have a lower LogP value.,CN(c1nc2ccccc2n1Cc1ccc(Cl)cc1)C1CCCN(C(=O)OC(C)(C)C)C1
MR,Modify the molecule CC(Nc1ccc(C(=O)N(C)C)nn1)c1cccc(F)c1 to have a higher MR value.,CC(Nc1ccc(C(=O)N(C)C)nn1)c1cccc(O)c1
QED,Optimize the molecule Cc1cc(C)cc(C(O)C([NH3+])CC[NH3+])c1 to have a higher QED value.,Cc1cc(C)cc(C(C(=O)[OH])C([NH3+])CC[NH3+])c1
AtomNum,"There is a molecule with 22 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",O=C(c1cc2ccccc2oc1=O)N1CC[NH+](Cc2cc3ccccn3n2)CC1
BondNum,"Please generate a molecule consisting 26 single bonds, 5 double bonds, 12 rotatable bonds, and 23 aromatic bonds.",CCCCC1=[NH+]C2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(CN(C)C(=O)c2cnccn2)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, and 1 halo group.",Cc1ccc(NC2CCC(C)CC2)c(Cl)c1
AddComponent,Add a hydroxyl to the molecule CC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCCOC3)C2)n[nH]1.,CC(C)c1cc(C(=O)N2CCC(NC(=O)C3COCCC3O)C2)n[nH]1
SubComponent,Please substitute a hydroxyl in the molecule NC(=[NH+]O)c1ccc(C[NH2+]Cc2ccon2)cc1 with a thiol.,NC(=[NH+]S)c1ccc(C[NH2+]Cc2ccon2)cc1
DelComponent,Modify the molecule benzene ring by removing a Cn1nnnc1-c1cccc(NS(N)(=O)=O)c1.,Cn1nnnc1NS(N)(=O)=O
LogP,Optimize the molecule Cc1ccc(Cn2c(-c3ccc(Oc4ccc(NC(=O)OCCCN5CC[NH2+]CC5)cc4)cc3)cc(C(F)(F)F)c(N)c2=O)c(C)c1 to have a higher LogP value.,Cc1ccc(Cn2c(-c3ccc(Oc4ccc(NC(=O)OCCCN5CC[NH2+]CC5)cc4)cc3)cc(C(F)(F)F)cc2=O)c(C)c1
MR,Modify the molecule CCCCCCCC([NH3+])c1c(CC)cc(CC)cc1CC to decrease its MR value.,CCCCCCCC([NH3+])C(C)C(C)CC
QED,Please modify the molecule CCn1c(-c2cc(N)cc(Cl)c2)nc2cc(C)ccc21 to decrease its QED value.,CCn1c(-c2cccc(Cl)c2)nc2cc(C)ccc21
AtomNum,"The molecule contains 21 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc(C)c2c1N(C(=O)CSCc1ccc(C#N)cc1)CCC2
BondNum,"Please generate a molecule with 18 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",COc1ccc(Cl)cc1N1CC(C(=O)N2CCCCCC2)CC1=O
FunctionalGroup,"The molecule consists of 1 ester group, and 1 amide group.",CCOC(=O)c1ncccc1NC(=O)C1Oc2ccccc2OC1C
AddComponent,Modify the molecule C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nc2scc(-c3ccc(C)cc3)c2c1=O by adding a benzene ring.,C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nc2scc(-c3ccc(C)cc3-c3ccccc3)c2c1=O
SubComponent,Modify the molecule halo by substituting a [NH3+]C1CCCN(c2cc(F)ccc2OC2CCCC2)C1 with a carboxyl.,[NH3+]C1CCCN(c2cc(C(=O)[OH])ccc2OC2CCCC2)C1
DelComponent,Modify the molecule NC(=S)NN=C1CCCC1c1ccccn1 by removing a amine.,S=CNN=C1CCCC1c1ccccn1
LogP,Please modify the molecule CCNC(NCCC(=O)NC1CCCC1)=[NH+]CCCN1CCCC1=O to increase its LogP value.,CCNC(CCC(=O)NC1CCCC1)=[NH+]CCCN1CCCC1=O
MR,Please optimize the molecule C#CCC(CC)NS(=O)(=O)C(C)C#N to have a higher MR value.,C#CCC(NS(=O)(=O)C(C)C#N)C(C)O
QED,Optimize the molecule CCOCC(O)COc1ccc(C[NH2+]C2CC2)cc1 to have a higher QED value.,CCOCC(O)COc1ccc(C[NH2+]C2CC2)c(-c2ccccc2)c1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC(=O)c1nc(-c2ccc(C)cc2)[nH]c1C
BondNum,"The molecule is composed of 20 single bonds, 2 double bonds, and 4 rotatable bonds.",CC(C)(NC(=O)C1C2C3CCC(C3)C12)C(C)(C)C(=O)[O-]
FunctionalGroup,The molecule contains and 1 amide group.,CCC1C(=O)NCC[NH+]1Cc1ccnc(C[NH3+])c1
AddComponent,Add a hydroxyl to the molecule Cn1c(SCc2nc3ccccc3n2C)nnc1C1CCC[NH2+]C1.,Cn1c(SCc2nc3c(O)cccc3n2C)nnc1C1CCC[NH2+]C1
SubComponent,Modify the molecule O=C(Nc1ccccc1)c1csc(COc2ccc(Cl)cc2)n1 by substituting a halo with a carboxyl.,O=C([OH])c1ccc(OCc2nc(C(=O)Nc3ccccc3)cs2)cc1
DelComponent,Remove a benzene ring from the molecule CC(F)(F)Cc1ccccc1C1CC(C(=O)[O-])C[NH2+]1.,CC(F)(F)CC1CC(C(=O)[O-])C[NH2+]1
LogP,Please modify the molecule COCCOCCCOC1CC(Br)C1 to decrease its LogP value.,COCCOCCCOC1CCC1
MR,Modify the molecule CNC(=O)CCCN(CC[NH3+])CC(F)F to increase its MR value.,CNC(=O)CCCN(CC[NH3+])CC(F)S
QED,Modify the molecule C1=CC(C(c2ccccc2)(c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)=CCC1 to have a higher QED value.,C1=CC(C(c2ccccc2)(c2cc(-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)c2cc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-c3ccccc3)c2)=CCC1
AtomNum,"The molecule has 11 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",[NH3+]CCCCCC(=O)N1CCCC1C(=O)[O-]
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, 4 rotatable bonds, and 16 aromatic bonds.",Cc1nnnn1-c1cccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, and 1 halo group.",COC(=O)c1cn(C(=O)CCCOc2ccc(Cl)cc2)c2ccccc12
AddComponent,Modify the molecule CC(C)=CCCC(C)[NH2+]CC1CCCCC1O by adding a benzene ring.,CC(=CCCC(C)[NH2+]CC1CCCCC1O)Cc1ccccc1
SubComponent,Modify the molecule COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1 by substituting a halo with a hydroxyl.,COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(O)cc2)cc1
DelComponent,Please remove a Cc1nn(C)c(CC(O)c2cc(Cl)cc(Cl)c2)c1Br from the molecule halo.,Cc1cc(CC(O)c2cc(Cl)cc(Cl)c2)n(C)n1
LogP,Please optimize the molecule CC(O)C1C(=O)N2C(C(=O)[O-])=C(SC3CN(C(=S)C4CCCC4)C3)C(C)C12 to have a higher LogP value.,CC(O)C1C(C(=O)[O-])=C(SC2CN(C(=S)C3CCCC3)C2)C1C
MR,Modify the molecule Cc1ccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)c1 to increase its MR value.,Cc1ccc(C2=C(Nc3ccc(C)c(N)c3C)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C
QED,Please modify the molecule COCS(=O)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] to decrease its QED value.,COCS(=O)CC(=O)Nc1cc(N)c(OC)cc1[N+](=O)[O-]
AtomNum,"There is a molecule with 28 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 bromine atom.",CC[NH+](CC)Cc1ccc2c(c1)N(C)C1(C=Nc3c(c(CBr)cc4ccccc34)O1)C2(C)C
BondNum,"Please generate a molecule composed of 14 single bonds, 4 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCC(N)=O)cc2)c(C(=O)NO)c1
FunctionalGroup,"There is a molecule with 1 hydroxyl group, and 1 amine group.",Cc1cn(C2CC(Nc3c([O-])c(=O)c3=O)C(CO)O2)c(=O)[nH]c1=O
AddComponent,Modify the molecule CC[NH+](CC(N)=S)Cc1cncc(Br)c1 by adding a benzene ring.,CC[NH+](CC(N)=S)Cc1cncc(Br)c1-c1ccccc1
SubComponent,Modify the molecule O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccoc1 by substituting a halo with a nitro.,ONc1ccc(-c2cc(C(=O)NNC(=O)c3ccoc3)c3ccccc3n2)cc1
DelComponent,Please remove a hydroxyl from the molecule O=C(c1ccn2cncc2c1)N1CCOCC1CO.,CC1COCCN1C(=O)c1ccn2cncc2c1
LogP,Optimize the molecule COc1ccc(CNC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CNC(=O)C(C)[NH3+])c2)cc1 to have a lower LogP value.,COc1ccc(CNC(=O)c2cc(C(F)(F)S)nn2-c2cccc(CNC(=O)C(C)[NH3+])c2)cc1
MR,Optimize the molecule N#CC1(CCc2ccsc2)CC2CCC1O2 to have a lower MR value.,OC1(CCc2ccsc2)CC2CCC1O2
QED,Modify the molecule Cc1cccc(Cc2cnc(NC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)s2)c1Cl to have a lower QED value.,Cc1cccc(Cc2cnc(NC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)s2)c1S
AtomNum,"Please generate a molecule with 15 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc(C(=O)NS(=O)(=O)C=Cc2cccnc2)c(Cl)c1
BondNum,"The molecule has 9 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)C[NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 nitrile group.",CC(c1ccc(C#N)cc1)[NH+]1CC(CC(=O)[O-])C1
AddComponent,Add a amine to the molecule CCNC(=O)CNc1cccc2cc(Br)cnc12.,CCNC(=O)CNc1cccc2cc(Br)c(N)nc12
SubComponent,Please substitute a Cc1cc(C(=O)Nc2ccccc2)ccc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2cc(NC(=O)Cc3ccc(F)cc3)ccc2F)CC1 in the molecule halo with a nitrile.,Cc1cc(C(=O)Nc2ccccc2)ccc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2cc(NC(=O)Cc3ccc(C#N)cc3)ccc2F)CC1
DelComponent,Remove a halo from the molecule CCOCCOc1cc(OCCOCC)c(-c2cc(F)c(CF)c(F)c2)c(OCCOCC)c1.,CCOCCOc1cc(OCCOCC)c(-c2ccc(CF)c(F)c2)c(OCCOCC)c1
LogP,Modify the molecule CC(C)OC1CN(C)c2ccccc21 to have a lower LogP value.,CC(C)OC1c2ccccc2N(C)C1C(=O)O
MR,Please optimize the molecule Cc1onc(-c2ccc(Cl)cc2)c1-c1ccn(C(=O)NCC2CCCO2)n1 to have a higher MR value.,Cc1onc(-c2ccc(C(=O)[OH])cc2)c1-c1ccn(C(=O)NCC2CCCO2)n1
QED,Please optimize the molecule Nc1c(OC(F)(F)F)cc(Br)nc1Cl to have a higher QED value.,Nc1c(OC(F)F)cc(Br)nc1Cl
AtomNum,"The molecule contains 13 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",Cc1cccc(C)c1C(=O)NC(C)(C)C(=O)[O-]
BondNum,"There is a molecule with 2 single bonds, 1 double bond, 1 rotatable bond, and 10 aromatic bonds.",NC(=S)c1ccc2ocnc2c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",COc1cc(-c2cnc3c(c2)C(=Cc2cccnc2)C(=O)N3)cc(OC)c1OC
AddComponent,Add a hydroxyl to the molecule Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2CC(N)=O)c1.,Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(O)c3C)n2CC(N)=O)c1
SubComponent,Substitute a halo in the molecule Oc1cc(C(F)(F)F)cc(Cl)c1C1C[NH2+]CCO1 with a aldehyde.,CC(=O)C(F)(F)c1cc(O)c(C2C[NH2+]CCO2)c(Cl)c1
DelComponent,Remove a benzene ring from the molecule Cc1cccc(Cl)c1Cn1nc(C)c2ncc(-c3nn[n-]n3)cc21.,Cc1nn(C(C)Cl)c2cc(-c3nn[n-]n3)cnc12
LogP,Modify the molecule C=CC[NH+]1CCc2cc(OC)c(O)c3c2C1Cc1cc(O)c(OC)cc1-3 to have a higher LogP value.,C=CC[NH+]1CCc2cc(OC)cc3c2C1Cc1cc(O)c(OC)cc1-3
MR,Please modify the molecule Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NC(=O)C3CCCN3[N+]([O-])=NOC(C)OC(=O)c3ccccc3)cc2)cc1 to increase its MR value.,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NC(=O)C3CCCN3[N+]([O-])=NOC(C)OC(=O)c3ccccc3)cc2)c(-c2ccccc2)c1
QED,Modify the molecule CCOC(=O)C([NH2+]C1CC1)c1ccc(C)nc1 to decrease its QED value.,CCOC(=O)C([NH2+]C1(N)CC1)c1ccc(C)nc1
AtomNum,"The molecule consists of 14 carbon atoms, and 2 oxygen atoms.",COc1ccccc1CC1(O)CCC(C)C1
BondNum,"There is a molecule consisting of 20 single bonds, 2 double bonds, and 2 rotatable bonds.",CC1CN(C(=O)NC2CCCC2(C)C(=O)[O-])CC(C)[NH+]1C
FunctionalGroup,Please generate a molecule with and 1 amide group.,CC[NH2+]C(C)c1ccc(N2CC(C(N)=O)CCC2C)cn1
AddComponent,Modify the molecule CN(Cc1ccc(Cl)cc1)C1(C[NH3+])CCCCC1(C)C by adding a benzene ring.,CN(Cc1ccc(Cl)cc1-c1ccccc1)C1(C[NH3+])CCCCC1(C)C
SubComponent,Please substitute a CC(=CCl)CNc1ccc(C)c(C(F)(F)F)c1 in the molecule halo with a nitro.,CC(=CNO)CNc1ccc(C)c(C(F)(F)F)c1
DelComponent,Remove a benzene ring from the molecule CCOC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1.,CCOC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O
LogP,Please optimize the molecule COC(c1ccccc1)(c1ccccc1)C(C)(O)C(=O)[O-] to have a lower LogP value.,COC(c1ccccc1)C(C)(O)C(=O)[O-]
MR,Modify the molecule C[Si](C)(Cl)[Si](C)(C)C#C[Si](C)(C)[Si](C)(C)Cl to have a lower MR value.,C[Si](C)[Si](C)(C)C#C[Si](C)(C)[Si](C)(C)Cl
QED,Please modify the molecule CC(C)(C)c1cc(NC(=O)c2csc(Cc3ccccc3)n2)n(-c2ncccn2)n1 to increase its QED value.,Cc1nc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cs1
AtomNum,"The molecule contains 14 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",O=S(=O)(CC1COc2ccccc2O1)NCCc1ccns1
BondNum,"The molecule contains 13 single bonds, and 5 rotatable bonds.",CC(C)C(C)([NH3+])CCOCC(F)(F)F
FunctionalGroup,"There is a molecule composed of 1 amine group, and 1 halo group.",Brc1ccc2c(c1)NCCC2[NH+]1CCCC1
AddComponent,Please add a benzene ring to the molecule CC(C)C1=CC(c2ccccc2)C(C#N)(C#N)C(C)C1.,CC(C)C1=C(c2ccccc2)C(c2ccccc2)C(C#N)(C#N)C(C)C1
SubComponent,Please substitute a halo in the molecule O=c1[nH]c(Cl)c(F)c(=O)n1CC1CC1 with a thiol.,O=c1[nH]c(S)c(F)c(=O)n1CC1CC1
DelComponent,Remove a benzene ring from the molecule CCC(C)C([NH3+])C(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)[O-].,CCC(C)C([NH3+])C(=O)NCC(=O)NCC(=O)NC(C)C(=O)[O-]
LogP,Optimize the molecule [NH3+]CC(OCc1cccs1)c1ccccc1F to have a higher LogP value.,[NH3+]CC(OCc1cccs1)c1ccc(-c2ccccc2)cc1F
MR,Modify the molecule COc1c[nH+]c(C)cc1NCCCCC(F)(F)F to have a higher MR value.,COc1c[nH+]c(C)cc1NCCCCC(F)(F)C#N
QED,Please optimize the molecule COc1ccccc1N1N=C2COCC=C2C(C#N)=C1[NH3+] to have a lower QED value.,COc1ccccc1N1N=C2COCC=C2C=C1[NH3+]
AtomNum,"There is a molecule composed of 17 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 3 fluorine atoms.",CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)c(C(=O)[O-])c1)C(F)(F)F
BondNum,"Please generate a molecule with 6 single bonds, 1 double bond, 4 rotatable bonds, and 21 aromatic bonds.",O=C(Cc1csc(-c2ccccn2)n1)Nc1nc2ccc(F)cc2s1
FunctionalGroup,"Please generate a molecule with 2 amide groups, and 1 amine group.",Nc1nnnn1C1CCC(=O)NC1=O
AddComponent,Add a benzene ring to the molecule CCNS(=O)(=O)CCNC(=O)c1cc(N)c(F)cc1F.,CC(NS(=O)(=O)CCNC(=O)c1cc(N)c(F)cc1F)c1ccccc1
SubComponent,Please substitute a O=C(CSc1nccc(C(F)(F)F)n1)Nc1cccc(Cl)c1Cl in the molecule halo with a hydroxyl.,O=C(CSc1nccc(C(O)(F)F)n1)Nc1cccc(Cl)c1Cl
DelComponent,Please remove a hydroxyl from the molecule CCCCOCN(CO)c1nc(-c2ccccc2)nc(N(CO)CO)n1.,CCCCOCN(CO)c1nc(-c2ccccc2)nc(N(C)CO)n1
LogP,Optimize the molecule C=C(Cl)C[NH2+]C1CC(OCCCC)C1(C)C to have a lower LogP value.,C=CC[NH2+]C1CC(OCCCC)C1(C)C
MR,Modify the molecule O=C1NC=CC1C(=O)c1cccc(C(=O)C2C=CNC2=O)c1 to have a lower MR value.,C=CC(=O)c1cccc(C(=O)C2C=CNC2=O)c1
QED,Modify the molecule N[n+]1cnn(CC(=O)c2ccccc2O)c1 to have a higher QED value.,O=C(Cn1c[n+]cn1)c1ccccc1O
AtomNum,"The molecule is composed of 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccccc1CS(=O)(=O)NCc1ccc(Cl)nc1
BondNum,"The molecule consists of 15 single bonds, 2 double bonds, 9 rotatable bonds, and 6 aromatic bonds.",COc1ccc(Cl)cc1NC(=O)CCNC(=O)C([NH3+])CCSC
FunctionalGroup,The molecule consists of and 2 amide groups.,O=C1CN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)C2CCCCC2N1
AddComponent,Add a benzene ring to the molecule CCOc1cc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)ccc1OCc1ccccc1.,CCOc1cc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1
SubComponent,Please substitute a O=C(C(=S)N1CCOC(C2CN(SC(=S)Nc3ccccc3)CCO2)C1)c1ccc(F)cc1 in the molecule halo with a carboxyl.,O=C([OH])c1ccc(C(=O)C(=S)N2CCOC(C3CN(SC(=S)Nc4ccccc4)CCO3)C2)cc1
DelComponent,Remove a nitrile from the molecule Cc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCC[NH3+])cn4ncc(C#N)c34)cn2)CC1.,Cc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCC[NH3+])cn4nccc34)cn2)CC1
LogP,Please modify the molecule O=C(c1cnccc1Cl)N1CCCC1C1CCCC1 to decrease its LogP value.,O=C(c1cccnc1)N1CCCC1C1CCCC1
MR,Please modify the molecule COC1CC(C(=O)[O-])N(C(=O)c2c(F)cc(Br)cc2F)C1 to increase its MR value.,COC1CC(C(=O)[O-])N(C(=O)c2c(F)cc(Br)cc2S)C1
QED,Modify the molecule COc1ccc(-c2cn3c(CCC(=O)NC(C)c4ccccc4)csc3[nH+]2)cc1 to have a higher QED value.,COc1ccc(-c2cn3c(CC(C)c4ccccc4)csc3[nH+]2)cc1
AtomNum,"The molecule is composed of 15 carbon atoms, and 3 oxygen atoms.",C=C1C(=O)OC2CC3(C)CCC(O)C(=C)C3CC12
BondNum,"The molecule contains 16 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(O)C1CCN(c2nc(C(F)(F)F)ccc2C[NH3+])CC1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 1 hydroxyl group.",COc1ccc(N(Cc2cnco2)c2ccc(C(=O)[O-])cc2)cc1O
AddComponent,Modify the molecule CC[NH+](Cc1ccc(N)cc1)Cc1ccccc1C by adding a hydroxyl.,CC[NH+](Cc1ccc(N)cc1)Cc1ccccc1CO
SubComponent,Please substitute a halo in the molecule O=C1NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1[O-] with a carboxyl.,O=C1NN(c2ccc(C(=O)[OH])cc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1[O-]
DelComponent,Remove a CCOP(C)(=O)c1ccccc1SC from the molecule benzene ring.,CCOP(C)(=O)SC
LogP,Modify the molecule c1cc(CNc2ccc3c(c2)CCO3)c2c(c1)OCCO2 to have a lower LogP value.,c1cc(Cc2ccc3c(c2)CCO3)c2c(c1)OCCO2
MR,Modify the molecule CCC[NH2+]C(c1cccc(C)c1)c1ccc(F)cc1F to have a lower MR value.,CCC[NH2+]C(C)c1ccc(F)cc1F
QED,Modify the molecule C=C(C)C(=O)OCCS(=O)(=O)C(C)(C)C to decrease its QED value.,C=C(C)C(=O)OCCS(=O)(=O)C(C)(C)CO
AtomNum,"There is a molecule with 13 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",COC1CCN(C(=O)c2cnc(C)cn2)C(C[NH3+])C1
BondNum,"Please generate a molecule composed of 11 single bonds, 8 rotatable bonds, and 11 aromatic bonds.",CC[NH2+]C(CSc1cccc(C)c1)Cc1ccc(CC)s1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, and 1 halo group.",Cc1ccc(NC2C=CCC2)c(Br)c1
AddComponent,Add a carboxyl to the molecule Cc1ccc(-c2nnc(SC(C)C(=O)NC3CCCC(C)C3C)o2)cc1.,CC(Sc1nnc(-c2ccc(CC(=O)O)cc2)o1)C(=O)NC1CCCC(C)C1C
SubComponent,Modify the molecule Cc1sc2c(c1-c1ccccc1)C(=O)C(c1ccc(O)cc1)CN2 by substituting a hydroxyl with a aldehyde.,CC(=O)c1ccc(C2CNc3sc(C)c(-c4ccccc4)c3C2=O)cc1
DelComponent,Remove a hydroxyl from the molecule C=CCNC(NC1CC[NH+](C2CCCCC2O)CC1)=[NH+]CCc1ccco1.,C=CCNC(NC1CC[NH+](C2CCCCC2)CC1)=[NH+]CCc1ccco1
LogP,Optimize the molecule Clc1ccc(-n2nnnc2SCCc2ccccn2)cc1 to have a lower LogP value.,Cln1nnnc1SCCc1ccccn1
MR,Modify the molecule FC(F)(F)c1ccnc2cc(-c3ccccc3Cl)nn12 to have a lower MR value.,FC(F)c1ccnc2cc(-c3ccccc3Cl)nn12
QED,Please modify the molecule C[NH+](C)C1CC[NH+](C2CCC([NH2+]C3CC3)(C(N)=O)C2)CC1 to decrease its QED value.,C[NH+](C)C1CC[NH+](C2CCC([NH2+]C3CC3)(C(N)=O)C2)CC1O
AtomNum,"There is a molecule consisting of 20 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CCCc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1
BondNum,"The molecule consists of 46 single bonds, 15 double bonds, and 25 rotatable bonds.",O=C([O-])CCC(=O)N(CCNC(=O)COC(CCN1C(=O)C=CC1=O)CN1C(=O)C=CC1=O)CCNC(=O)COC(CCN1C(=O)C=CC1=O)CN1C(=O)C=CC1O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",Cc1ccc(-c2nnn(CC(=O)N3CC(C)CC(C(=O)[O-])C3)n2)cc1
AddComponent,Please add a benzene ring to the molecule C[NH+](C)C1CCN(c2ccc(NC(=O)C3CCCCC3(C)[NH3+])nc2)CC1.,C[NH+](C)C1CCN(c2ccc(NC(=O)C3CCCC(c4ccccc4)C3(C)[NH3+])nc2)CC1
SubComponent,Modify the molecule CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1cc(Cl)ccc1Nc1ccc(F)cc1 by substituting a halo with a carboxyl.,CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)C(=O)[OH])c2)C(=O)N1Cc1cc(Cl)ccc1Nc1ccc(F)cc1
DelComponent,Remove a benzene ring from the molecule CNC(=O)c1ccc(NC(=O)Cn2cc[nH+]c2C(C)C)cc1.,CNC(=O)NC(=O)Cn1cc[nH+]c1C(C)C
LogP,Modify the molecule [NH3+]CC1CCCCC1[NH+]1CCC2NC(=O)CCC2C1 to have a higher LogP value.,[NH3+]CC1CCCCC1[NH+]1CCC2CC2C1
MR,Please modify the molecule O=C(CNC(=O)C1CCC1)Nc1ccc(Cl)cc1Cl to increase its MR value.,O=C(CNC(=O)C1CCC1O)Nc1ccc(Cl)cc1Cl
QED,Optimize the molecule Cc1cccc(CC(=O)N2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)cs3)CC2)c1 to have a lower QED value.,Cc1cccc(CC(=O)N2CC[NH+](Cc3nc(-c4ccc(Cl)cc4O)cs3)CC2)c1
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1ccccc1C[NH+]1CCC(N2C(=O)NC3(CCOCC3)C2=O)CC1
BondNum,"There is a molecule with 20 single bonds, 3 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CC(C)(C)OC(=O)NC(Cc1ccc(O)c(O)c1)C(=O)OCC(O)COC(=O)c1ccccc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 thioether group, and 1 sulfide group.",CC(C)c1nnc(SCc2ccc(C(C)(C)C)cc2)n1C
AddComponent,Modify the molecule CCCc1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)cc1 by adding a benzene ring.,O=C(Nc1ccc(-c2ccc(CCCc3ccccc3)cc2)c2c1C(=O)NC2)c1ccccc1
SubComponent,Please substitute a CNc1cc(C)c(S(=O)(=O)N2CCOC(C#N)C2)c(C)c1 in the molecule nitrile with a aldehyde.,CC(=O)C1CN(S(=O)(=O)c2c(C)cc(NC)cc2C)CCO1
DelComponent,Remove a benzene ring from the molecule COC(=O)C=C1SC(NN=Cc2ccc(Cl)cc2)NC1=O.,COC(=O)C=C1SC(NN=CCl)NC1=O
LogP,Please modify the molecule O=C(NCC(F)F)c1sccc1Cl to decrease its LogP value.,N#CC(F)CNC(=O)c1sccc1Cl
MR,Optimize the molecule COc1ccccc1-c1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1C to have a lower MR value.,COc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1C
QED,Please modify the molecule Cc1ccc(CN(C)C2(C[NH3+])CCCS(=O)(=O)C2)o1 to decrease its QED value.,Cc1ccc(CN(C)C2(C[NH3+])CS(=O)(=O)CCC2CC=O)o1
AtomNum,"There is a molecule with 12 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC(C)CC(C)[NH2+]CCCCCC(=O)[O-]
BondNum,"The molecule has 10 single bonds, 2 double bonds, 7 rotatable bonds, and 23 aromatic bonds.",O=C(CNC(=O)c1ccc(Cl)cc1)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
FunctionalGroup,The molecule contains and 1 borane group.,CC(C)OB(C#CC(C)(C)C)OC(C)C
AddComponent,Add a benzene ring to the molecule N#Cc1cnn(CC2CCC(F)(F)CC2)c1.,N#Cc1cnn(CC2CCC(F)(F)C(c3ccccc3)C2)c1
SubComponent,Please substitute a halo in the molecule O=CC(=O)N(c1ccccc1F)C1CC=CCC2CCC(C(=O)NC3CC(=O)OC3O)N2C1=O with a nitrile.,N#Cc1ccccc1N(C(=O)C=O)C1CC=CCC2CCC(C(=O)NC3CC(=O)OC3O)N2C1=O
DelComponent,Please remove a Cc1ccc(C(O)c2ccc(Cl)cc2)c(Cl)c1 from the molecule halo.,Cc1ccc(C(O)c2ccccc2)c(Cl)c1
LogP,Optimize the molecule Cc1cccc(-c2nnc(SCC(=O)N3CCC(c4ccccc4)=N3)o2)c1 to have a higher LogP value.,Cc1cccc(-c2nnc([SH]3CCC(c4ccccc4)=N3)o2)c1
MR,Modify the molecule Cc1nc(C2CC(O)C(CO)O2)c[nH]c1=O to decrease its MR value.,Cc1nc(C2CC(O)C(C)O2)c[nH]c1=O
QED,Modify the molecule CC1(O)C(O)C(CO)OC1N1C=C2CCC3=C2C(=N1)C=NNC3 to decrease its QED value.,CC1(O)C(N2C=C3CCC4=C3C(=N2)C=NNC4)OC(CO)C1(O)O
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1cccc(COc2cccc(C(=O)NCCC3CC[NH2+]C3)c2)c1
BondNum,"The molecule has 12 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C=Cc1ccc(NC(=O)C(C[NH3+])OC)cc1
FunctionalGroup,"The molecule contains 1 ester group, and 1 sulfide group.",CCOC(=O)Cc1csc(NC(=O)NC(c2n[nH]c(C)n2)C(C)C)n1
AddComponent,Please add a hydroxyl to the molecule COCCN(CC(=O)N(C)C)C(=O)C1CCC([NH3+])C1.,COCCN(CC(=O)N(C)C)C(=O)C1CCC([NH3+])(O)C1
SubComponent,Modify the molecule halo by substituting a COc1ccccc1NCC(=O)NNC(=O)C1CC1c1ccc(C(F)(F)F)cc1 with a nitrile.,COc1ccccc1NCC(=O)NNC(=O)C1CC1c1ccc(C(F)(F)C#N)cc1
DelComponent,Modify the molecule CC(c1ccc(-c2cn3c4c(nc3cc2F)C(=O)CC4c2ccccc2)cc1)S(C)(=O)=O by removing a benzene ring.,CC(c1ccc(-c2cn3c4c(nc3cc2F)C(=O)CC4)cc1)S(C)(=O)=O
LogP,Modify the molecule CC1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)CC1 to have a lower LogP value.,CC1CCN(S(=O)(=O)c2ccc(C#N)c(C(=O)[O-])c2)CC1
MR,Modify the molecule CCCC([NH2+]Cc1cc(Cl)ccc1F)c1cccs1 to increase its MR value.,CCCC([NH2+]Cc1cc(Cl)ccc1F)c1cc(N)cs1
QED,Modify the molecule O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C1(c2ccc(F)cc2)CCC1 to decrease its QED value.,O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C1(c2ccc(F)c(O)c2)CCC1
AtomNum,"Please generate a molecule with 15 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",Cc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])ccc1Br
BondNum,"Please generate a molecule composed of 16 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",O=C(COc1ccccc1)N1CCC(Cc2nc(C3CC3)n[nH]2)CC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amine group, and 1 halo group.",Cc1ccc(C)c(NCc2ccc(I)cc2)c1
AddComponent,Add a hydroxyl to the molecule COc1c(C)cc(NCC2CC[NH2+]C2)cc1C.,Cc1cc(NCC2CC[NH2+]C2)cc(C)c1OCO
SubComponent,Please substitute a CC(C)OC(=O)c1cccc(NC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 in the molecule halo with a hydroxyl.,CC(C)OC(=O)c1cccc(NC(=O)Cn2cnc3scc(-c4ccc(O)cc4)c3c2=O)c1
DelComponent,Modify the molecule halo by removing a O=C(Cc1c(Br)c(O)cc(O)c1-c1ccccc1)N1CC[NH+](Cc2cccnc2)CC1.,O=C(Cc1cc(O)cc(O)c1-c1ccccc1)N1CC[NH+](Cc2cccnc2)CC1
LogP,Please optimize the molecule CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OCC)C2c2cccc(OCC)c2)c1 to have a lower LogP value.,CCCOc1cccc(C2=C(C(=O)[OH])C(=O)N(c3ccccc3C(=O)OCC)C2c2cccc(OCC)c2)c1
MR,Modify the molecule CCCC1CCCCN1c1c(F)cccc1C(C)[NH2+]CC to decrease its MR value.,CCCC1CCCCN1C(C)(F)[NH2+]CC
QED,Please modify the molecule CC(C)CSCC(C)[NH2+]CC1(O)CCC1 to decrease its QED value.,CC(C)CSCC(C)[NH2+]CC1CCC1
AtomNum,"The molecule has 20 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",O=C(c1cccc2ncccc12)N(CCO)CCc1ccccc1
BondNum,"The molecule is composed of 19 single bonds, 2 double bonds, 6 rotatable bonds, and 15 aromatic bonds.",Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCC[NH+]2CCOCC2)c2ccccc21
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, and 1 amine group.",CCOC(=O)c1ccccc1NC(C)C(C)CC
AddComponent,Modify the molecule Cc1ccc(N(C)C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)cc1 by adding a hydroxyl.,Cc1ccc(N(C)C(=O)CSc2nnc(C)n2-c2c(C)ccc(C)c2O)cc1
SubComponent,Substitute a hydroxyl in the molecule Cc1ccccc1CNC(=O)c1c(O)cccc1F with a nitrile.,Cc1ccccc1CNC(=O)c1c(F)cccc1C#N
DelComponent,Modify the molecule benzene ring by removing a O=C(CSc1ccc(NC(=O)c2ccccc2)nn1)Nc1cccc2ccccc12.,O=CNc1ccc(SCC(=O)Nc2cccc3ccccc23)nn1
LogP,Modify the molecule c1ccc2c(c1)Cc1ccccc1N2c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1 to decrease its LogP value.,c1ccc2c(c1)Cc1ccccc1N2c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)n2c3ccccc3c3ccccc32)cc1
MR,Please modify the molecule N#Cc1cccc(CNc2nc(Nc3cnn(CCO)c3)ncc2Cl)c1 to decrease its MR value.,OCCn1cc(Nc2ncc(Cl)c(NCc3cccc(O)c3)n2)cn1
QED,Optimize the molecule C=CCCC(=O)Nc1n[nH]c(C)c1C to have a lower QED value.,C=CCc1n[nH]c(C)c1C
AtomNum,"There is a molecule with 38 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Oc1ccccc1-c1nc2ccc(-c3ccc4nc(-c5ccccc5O)n(-c5ccccc5)c4c3)cc2n1-c1ccccc1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",CCCCc1c2c(nn1-c1ccccc1F)CC(C)(C)CC2=O
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 amine groups.",CCC(C)CC1(CC)C[NH+]=C(N)N1c1cccc(OC)c1
AddComponent,Please add a benzene ring to the molecule Nc1ccc(-c2cnc(NC(=O)Cc3ccc(F)cc3)c(CC3CCCCC3)n2)cc1.,Nc1ccc(-c2cnc(NC(=O)Cc3ccc(F)cc3)c(CC3CCCCC3c3ccccc3)n2)cc1
SubComponent,Please substitute a halo in the molecule O=C(CCCCSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1)NCCC(c1ccccc1)c1ccccc1 with a nitro.,ONC(F)(F)c1cccc(-n2c(SCCCCC(=O)NCCC(c3ccccc3)c3ccccc3)nc3ccccc3c2=O)c1
DelComponent,Please remove a hydroxyl from the molecule CCCOc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3F)C2c2ccc(O)cc2)c1.,CCCOc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3F)C2c2ccccc2)c1
LogP,Modify the molecule CC(CCn1ccnc1)(Cc1ccc(Cl)cc1)OCc1ccccc1Cl to decrease its LogP value.,CC(CCn1ccnc1)(Cc1ccc(Cl)cc1)OCc1c(N)cccc1Cl
MR,Modify the molecule CC(=O)c1ccccc1P(C1CCCCC1)C1CCCCC1 to decrease its MR value.,CC(=O)P(C1CCCCC1)C1CCCCC1
QED,Modify the molecule CCSCC(C)Nc1cc(C#N)ccc1[N+](=O)[O-] to have a lower QED value.,CCSCC(C)c1cc(C#N)ccc1[N+](=O)[O-]
AtomNum,"The molecule is composed of 17 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cn1cc(C(=O)C2CC(=O)c3nc[nH]c3C2)c2ccccc21
BondNum,"The molecule consists of 13 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCS(=O)(=O)c1ccccc1N1CC([NH3+])(C2CC2)C1
FunctionalGroup,"The molecule has 1 benzene ring group, and 2 hydroxyl groups.",COc1ccccc1-c1ccnc(Cn2c(=O)ccn(C3OC(COP(=O)([O-])[O-])C(O)C3O)c2=O)c1
AddComponent,Add a hydroxyl to the molecule CCCCCCCCn1cnc2c1C(=O)C[NH+]=CN2.,CCCCCCCCn1cnc2c1C(=O)C(O)[NH+]=CN2
SubComponent,Modify the molecule O=C(NC1CCCC2OCCC12)N1CCN(C(=O)c2cccc(Cl)c2)CC1 by substituting a halo with a hydroxyl.,O=C(NC1CCCC2OCCC12)N1CCN(C(=O)c2cccc(O)c2)CC1
DelComponent,Modify the molecule halo by removing a [NH3+]CCCCNC(=O)CCl.,CC(=O)NCCCC[NH3+]
LogP,Modify the molecule Nc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccc(OCc5ccccc5)cc4)sc3N)CC1)O2 to have a lower LogP value.,Nc1ccc2c(c1)C(=O)CC1(CCC(c3(N)sc(-c4ccc(OCc5ccccc5)cc4)c-3)C1)O2
MR,Please modify the molecule COc1ccccc1Oc1c(C(N)=[NH2+])c(C)nn1C to decrease its MR value.,COOc1c(C(N)=[NH2+])c(C)nn1C
QED,Modify the molecule CC(C)n1c(CCl)nc2c(F)cccc21 to have a lower QED value.,Cc1nc2c(F)cccc2n1C(C)C
AtomNum,"The molecule consists of 18 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 bromine atom.",CC1(CNC(=O)C2(c3ccc(Br)cc3)CCC2)CC[NH2+]CC1
BondNum,"The molecule contains 13 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",[NH3+]CCc1nc(C(=O)N2CCOC(c3ccccc3F)C2)cs1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, 1 halo group, 2 thioether groups, and 1 sulfide group.",CC1SCCN(c2ccc(F)c(N)c2C(=O)[O-])C1C
AddComponent,Please add a aldehyde to the molecule COC(=O)C(C)NC(=O)N(CC(=O)[O-])c1ccc(Cl)cc1.,COC(=O)C(C)NC(=O)N(CC(=O)[O-])c1ccc(Cl)cc1CC=O
SubComponent,Modify the molecule halo by substituting a Cc1ccc(C(=O)NC(Nc2cccc(Br)c2)=[NH+]Cc2c(C)nn(C)c2C)cc1F with a carboxyl.,Cc1ccc(C(=O)NC(Nc2cccc(C(=O)[OH])c2)=[NH+]Cc2c(C)nn(C)c2C)cc1F
DelComponent,Remove a amine from the molecule COc1ccc(S(=O)(=O)NCC2CC3CCC2C3)cc1Br.,COc1ccc(S(=O)(=O)CC2CC3CCC2C3)cc1Br
LogP,Modify the molecule C=CCn1c(SCCOc2ccccc2C(C)=O)nc2ccsc2c1=O to have a lower LogP value.,C=CCn1c(SCCOC(C)=O)nc2ccsc2c1=O
MR,Please modify the molecule CN1C(=O)Cc2c1ccc(N)c2Cl to increase its MR value.,CN1C(=O)Cc2c1ccc(N)c2C(=O)[OH]
QED,Please optimize the molecule CCCC(=O)N1CCN(c2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)CC1 to have a higher QED value.,CCCC(=O)N1CCN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)CC1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC1CCCCCC1[NH2+]CC(C)(O)c1ccccc1
BondNum,"The molecule has 13 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CC(C)Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(Cn3ccnc3)cc2)c1
FunctionalGroup,There is a molecule with and 1 sulfide group.,c1sc(C2CC2)nc1C[NH+]1CCCCC1c1nnc(C2CCC2)o1
AddComponent,Add a thiol to the molecule O=C(Nc1ccc(Cl)c(Cl)c1)C(Cl)=C1Sc2ccccc2NC1=O.,O=C(Nc1cc(S)c(Cl)c(Cl)c1)C(Cl)=C1Sc2ccccc2NC1=O
SubComponent,Please substitute a NC(=O)c1ccc(CSc2ccc(N)c(F)c2)c(F)c1 in the molecule halo with a nitro.,NC(=O)c1ccc(CSc2ccc(N)c(NO)c2)c(F)c1
DelComponent,Modify the molecule halo by removing a CCOc1cc(Cl)nc(-n2cnc(S(N)(=O)=O)n2)n1.,CCOc1ccnc(-n2cnc(S(N)(=O)=O)n2)n1
LogP,Modify the molecule NC(=O)C1CCC[NH+](Cc2cccc(CNC(=O)N3CCCCO3)c2)C1 to decrease its LogP value.,NC(=O)C1(C(=O)O)CCC[NH+](Cc2cccc(CNC(=O)N3CCCCO3)c2)C1
MR,Please optimize the molecule O=C([O-])COc1cccc(F)c1Oc1ccccc1 to have a higher MR value.,O=C([O-])COc1cccc(O)c1Oc1ccccc1
QED,Optimize the molecule CN(CCCCCO)C(=O)c1ccnc(NN)c1F to have a lower QED value.,CN(CCCCCC(=O)[OH])C(=O)c1ccnc(NN)c1F
AtomNum,"The molecule is composed of 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CCN1C(=O)CC(C(=O)Nc2ccc(C(=O)OC)cc2)SC1=[NH+]c1cccc(C(F)(F)F)c1
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",CC(C)C1CC(=O)N(c2ccccc2Br)O1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, 1 thioether group, and 1 sulfide group.",CC(CC(C)(O)C[NH3+])Sc1ccc2c(c1)CCC2
AddComponent,Add a benzene ring to the molecule CNC(=O)c1cccc(CCNc2ccc(-n3ccc(C)n3)nn2)c1.,CNC(=O)c1cccc(C(CNc2ccc(-n3ccc(C)n3)nn2)c2ccccc2)c1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1cnc2[nH]c(=O)c(C3OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C3O)cc2c1F with a thiol.,Cc1cnc2[nH]c(=O)c(C3OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(S)C3O)cc2c1F
DelComponent,Remove a amide from the molecule CN(CC1(C[NH3+])CCC1)C(=O)Cc1ccc[nH]1.,CC(c1ccc[nH]1)C1(C[NH3+])CCC1
LogP,Modify the molecule Cc1c(C(=O)NCC[NH+]2CCOCC2)cccc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O to decrease its LogP value.,Cc1c(C(=O)NCC[NH+]2CCOCC2O)cccc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
MR,Please optimize the molecule CCC(C)C(CC(=O)C(CCC[NH+]=C(N)CP(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1 to have a lower MR value.,CCC(C)C(CC(=O)C(CCC[NH+]=C(N)CP(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC
QED,Please optimize the molecule CCN(CC)C(=O)c1cc(NC(=O)NCc2ccccc2)ccc1N1CCCCC1 to have a higher QED value.,CCN(CC)C(=O)N(C(=O)NCc1ccccc1)N1CCCCC1
AtomNum,"The molecule contains 19 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",CCn1cc(CNC(=O)c2ccc(COc3c(C)cccc3Cl)o2)cn1
BondNum,"The molecule contains 12 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(Oc1ccc(C(C)(C)C)cc1)C(=O)OCC(N)=O
FunctionalGroup,"The molecule contains 3 benzene ring groups, 1 ester group, 1 amide group, 1 amine group, 1 nitrile group, and 1 sulfide group.",COC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccccc1Sc1ccccc1
AddComponent,Add a hydroxyl to the molecule COC1(C)C(=O)CC1C[Si](C)(C)C.,COC1(C)C(=O)CC1C(O)[Si](C)(C)C
SubComponent,Substitute a halo in the molecule Cc1ccc(C)c(S(=O)(=O)NCCCCC(F)(F)F)c1N with a carboxyl.,Cc1ccc(C)c(S(=O)(=O)NCCCCC(F)(F)C(=O)[OH])c1N
DelComponent,Please remove a amide from the molecule Cc1occc1C(=O)NNC(=O)CSc1nc2ccccc2s1.,Cc1occc1C(=O)NSc1nc2ccccc2s1
LogP,Modify the molecule Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccc(Cl)cc3)[nH]c12 to have a lower LogP value.,Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3cc(Br)cc(Br)c3OC(=O)c3ccccc3)[nH]c12
MR,Modify the molecule Cc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)s1 to have a higher MR value.,Cc1ccc(C[NH2+]Cc2ccc(NO)c(Cl)c2)s1
QED,Please optimize the molecule Cc1c(C(=O)Nc2ccnn2C2CCOC2)cnn1CCC(C)C to have a lower QED value.,CC(C)CCn1ncc(C(=O)Nc2ccnn2C2CCOC2)c1CO
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 oxygen atoms, and 6 nitrogen atoms.",CCCCc1nc2c(N)ncnc2n1C1([NH3+])OC(CO)C(O)C1O
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, and 10 rotatable bonds.",CC(=O)NCCOCCOCCNC=O
FunctionalGroup,"The molecule contains 2 benzene ring groups, 2 ketone groups, and 2 halo groups.",O=C(c1ccc(Cl)cc1)c1cccc2c(C(=O)c3ccc(Cl)cc3)cccc12
AddComponent,Modify the molecule COC(=O)C1C(CCN=[N+]=[N-])OC(=O)N1C(=O)OC(C)(C)C by adding a benzene ring.,COC(=O)C1C(CC(N=[N+]=[N-])c2ccccc2)OC(=O)N1C(=O)OC(C)(C)C
SubComponent,Please substitute a hydroxyl in the molecule CCC1CCC(O)(CNC(=O)CSc2ccccc2)CC1 with a nitro.,CCC1CCC(CNC(=O)CSc2ccccc2)(NO)CC1
DelComponent,Please remove a amide from the molecule O=C(CN1C(=O)CNC1=O)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2.,O=C1NC1C(=O)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2
LogP,Modify the molecule CN(C)c1cccc(C(NC(=O)c2cc(F)ccc2C(F)(F)F)c2ccc(S(C)(=O)=O)cc2)c1 to have a lower LogP value.,CN(C)c1cccc(C(NC(=O)c2cc(F)ccc2C(F)(F)F)S(C)(=O)=O)c1
MR,Modify the molecule CC([NH3+])Cc1ccc(Br)cc1N1CCS(=O)(=O)CC1 to increase its MR value.,CC([NH3+])C(c1ccccc1)c1ccc(Br)cc1N1CCS(=O)(=O)CC1
QED,Optimize the molecule CCCC(C#CC(C)(C)O)[Si](C)(C)C to have a lower QED value.,CCCC(C#CC(C)C)[Si](C)(C)C
AtomNum,"The molecule consists of 19 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",CCC(=O)NC1COCc2c(-c3cc(F)c4cnn(C)c4c3)cncc21
BondNum,"There is a molecule with 20 single bonds, 2 double bonds, and 4 rotatable bonds.",O=C([O-])C1CCCN(C(=O)NCC2CC2C2CCC2)C1
FunctionalGroup,"The molecule is composed of 1 amine group, and 1 sulfide group.",Cc1nnc(Sc2ncnc(N)c2C(C)C)o1
AddComponent,Modify the molecule C1=CC(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c2)=C2c3ncccc3C=CC2C1 by adding a benzene ring.,C1=CC(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c2)=C2c3nc(-c4ccccc4)ccc3C=CC2C1
SubComponent,Modify the molecule halo by substituting a Cc1c(Cc2ccccc2)c(=O)oc2c3c(c(Cl)cc12)OC[NH+](CCc1ccc(Cl)cc1)C3 with a nitro.,Cc1c(Cc2ccccc2)c(=O)oc2c3c(c(NO)cc12)OC[NH+](CCc1ccc(Cl)cc1)C3
DelComponent,Remove a benzene ring from the molecule CCCCN(c1ccccc1)c1nnc(C(C)[NH3+])o1.,CCCCNc1nnc(C(C)[NH3+])o1
LogP,Modify the molecule [NH3+]CC(O)(C(O)CCC1CCCCC1)C1CC1 to have a lower LogP value.,[NH3+]C(O)C(O)(C(O)CCC1CCCCC1)C1CC1
MR,Please optimize the molecule C=C1CC2CCC34CC(O)C(O3)C(CC(C)O4)OCCCC(O)CC(=O)CC3C(CC4OC(CCC1O2)CC(C)C4=C)OC(CC(O)C[NH3+])C3OC to have a higher MR value.,C=C1CC2CCC34CC(O)C(O3)C(CC(C)O4)OCCCC(O)CC(=O)CC3C(CC4OC(CCC1O2)CC(C)C4=C)OC(CC(N)(O)C[NH3+])C3OC
QED,Please optimize the molecule CC(C)S(=O)(=O)N(C)C1c2cc(C(=O)C(F)(F)F)ccc2OC(C)(C)C1O to have a lower QED value.,CC(C)S(=O)(=O)N(C)C1c2cc(C(=O)C(F)(F)F)ccc2OC(C)(CN)C1O
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COC(=O)N1CC[NH+](CCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2
FunctionalGroup,The molecule is composed of and 1 hydroxyl group.,CC=CCCC=CCCC=C(C)C(C)(C)C1(C(=O)[O-])C=CC=CC1O
AddComponent,Add a carboxyl to the molecule CN(CCCCCO)c1c(C#N)c[nH+]c2ccccc12.,CN(CCCCCO)c1c(C#N)c[nH+]c2ccc(C(=O)O)cc12
SubComponent,Please substitute a halo in the molecule O=S(=O)(Cl)C(Cl)C1CCC1 with a carboxyl.,O=C([OH])S(=O)(=O)C(Cl)C1CCC1
DelComponent,Remove a O=C(NCc1nn[n-]n1)Nc1ccc(F)cc1F from the molecule halo.,O=C(NCc1nn[n-]n1)Nc1ccc(F)cc1
LogP,Modify the molecule COc1cccc(-c2cc3n(C)c(C)c(CCC(=O)NCC4CCCO4)c(=O)n3n2)c1 to have a lower LogP value.,COc1cc2n(C)c(C)c(CCC(=O)NCC3CCCO3)c(=O)n2n1
MR,Please modify the molecule O=C(NC(SCc1ccccc1)(C(=O)[O-])C(C(F)(F)F)C(F)(F)F)c1ccccc1 to increase its MR value.,ONC(F)(F)C(C(F)(F)F)C(NC(=O)c1ccccc1)(SCc1ccccc1)C(=O)[O-]
QED,Please modify the molecule O=C(c1cccc(C(F)(F)c2n[nH]c(=O)c3c2CCCC3)c1)N1CCn2c(nnc2C(F)(F)F)C1 to increase its QED value.,O=C(N1CCn2c(nnc2C(F)(F)F)C1)C(F)(F)c1n[nH]c(=O)c2c1CCCC2
AtomNum,"There is a molecule composed of 33 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 boron atom.",OB(O)c1ccc2c(c1)c1c3ccccc3ccc1n2-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
BondNum,"There is a molecule with 6 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",Cn1ncc(Br)c1C(=O)c1ccc(Br)cc1Br
FunctionalGroup,The molecule has and 1 nitro group.,CCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])cc(OC)c1O2
AddComponent,Add a hydroxyl to the molecule O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)OCN1C(=O)c2ccccc2C1=O.,O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)OCN1C(=O)c2cccc(O)c2C1=O
SubComponent,Modify the molecule halo by substituting a C=Cc1ccc(Br)cc1N([O-])C(C)(C)C with a thiol.,C=Cc1ccc(S)cc1N([O-])C(C)(C)C
DelComponent,Please remove a amide from the molecule CCOC(=O)C(C)N(C(C)=O)c1cscn1.,CCOC(=O)C(C)c1cscn1
LogP,Optimize the molecule CCOC(=O)c1ccoc1COC(=O)c1cc([N+](=O)[O-])ccc1OC to have a lower LogP value.,CCOC(=O)c1ccoc1COC(=O)c1cc([N+](=O)[O-])c(C#N)cc1OC
MR,Please optimize the molecule O=C([O-])c1ccc(C(F)(F)F)c(I)n1 to have a lower MR value.,O=C([O-])c1ccc(C(F)F)c(I)n1
QED,Please modify the molecule [NH3+]Cc1cccc(C(=O)N2CC(O)C(O)C2)c1 to increase its QED value.,[NH3+]Cc1cccc(C(=O)N2CCC(O)C2)c1
AtomNum,"There is a molecule with 30 carbon atoms, 3 nitrogen atoms, and 1 phosphorus atom.",Cc1c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc2c3cccnc3ccn12
BondNum,"Please generate a molecule composed of 15 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(C(N)=[NH+]O)c(N2C3CCC2CC(O)C3)c1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 halo group, 1 thioether group, 1 sulfide group, and 2 disulfide groups.",COc1ccc(SSSCc2ccc(F)cc2)cc1
AddComponent,Please add a benzene ring to the molecule O=c1ncn(-c2cccc(Cl)c2)c2ccc(Cl)cc12.,O=c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)c2ccc(Cl)cc12
SubComponent,Substitute a hydroxyl in the molecule CC(=O)C1=C(OCc2ccccc2)C(C(C)C)C2(C)CC3(C)Cc4c(C(C)C)ccc(OCc5ccccc5)c4C([O-])=C3C(=O)C2(O)C1=O with a aldehyde.,CC(=O)C12C(=O)C(C(C)=O)=C(OCc3ccccc3)C(C(C)C)C1(C)CC1(C)Cc3c(C(C)C)ccc(OCc4ccccc4)c3C([O-])=C1C2=O
DelComponent,Modify the molecule Cc1noc(CCC(=O)N(C)C(C)(C)CO)n1 by removing a hydroxyl.,Cc1noc(CCC(=O)N(C)C(C)(C)C)n1
LogP,Modify the molecule NC(=S)c1ccc(-n2ccc(C(F)(F)F)n2)nc1 to decrease its LogP value.,NC(=S)c1ccc(-n2ccc(C(F)(F)NO)n2)nc1
MR,Modify the molecule CNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 to have a higher MR value.,CNC(=O)C(C)N(Cc1c(Cl)cccc1NO)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1
QED,Please optimize the molecule CC(C)(C)c1ccc(C2CCCC(=O)C2)c(OCc2ccccc2)c1 to have a lower QED value.,CC(C)(C)c1ccc(C2CC(=O)CC(c3ccccc3)C2)c(OCc2ccccc2)c1
AtomNum,"The molecule contains 26 carbon atoms, and 4 oxygen atoms.",Cc1ccc(COc2ccc3c(c2)OC(=CC2=Cc4ccccc4OC2)C3=O)cc1
BondNum,"There is a molecule composed of 30 single bonds, 2 double bonds, and 7 rotatable bonds.",COC(=O)CCC=C1CC2C1CCC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C
FunctionalGroup,"The molecule contains 1 amide group, and 1 amine group.",Nc1cccc2oc(CN3C(=O)CNC3=O)nc12
AddComponent,Add a benzene ring to the molecule COc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2-c2cccc(C)c2)c1.,COc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2-c2cccc(C)c2)cc(-c2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a Cc1ccccc1CN(C(=O)CSCc1c(F)cccc1Cl)C(Cc1ccccc1)C(=O)NC1CCCC1 with a nitrile.,Cc1ccccc1CN(C(=O)CSCc1c(Cl)cccc1C#N)C(Cc1ccccc1)C(=O)NC1CCCC1
DelComponent,Remove a COCC(CO)[NH2+]Cc1cc(C)n(C)c1C from the molecule hydroxyl.,COCC(C)[NH2+]Cc1cc(C)n(C)c1C
LogP,Modify the molecule CCCC1(C(=O)N(C)CCCC(=O)OC)CC[NH2+]CC1 to increase its LogP value.,CCCCC(CCC(=O)OC)C1CC[NH2+]C1
MR,Please optimize the molecule CC(CCCO)NS(=O)(=O)c1ccccc1Cl to have a lower MR value.,CC(CCCO)S(=O)(=O)c1ccccc1Cl
QED,Please optimize the molecule COc1cc(CNn2cnnc2)cc(Cl)c1OCC(N)=O to have a higher QED value.,COc1cc(CNn2cnnc2)cc(Cl)c1O
AtomNum,"The molecule is composed of 10 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 4 fluorine atoms.",C=CC(=O)Oc1c(F)c(F)c(C#N)c(F)c1F
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",COCC(CCO)Nc1cncc(C(=O)[O-])n1
FunctionalGroup,"The molecule has 4 benzene ring groups, and 1 amide group.",O=C1C(c2ccccc2)[NH+](CCc2ccccc2)CCN1C(CCCc1ccccc1)CCCc1ccccc1
AddComponent,Modify the molecule c1ccc(C2NC(c3ccccc3)[NH2+]C(c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)cc3)N2)cc1 by adding a benzene ring.,c1ccc(C2NC(c3ccccc3)(c3ccccc3)NC(c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)cc3)[NH2+]2)cc1
SubComponent,Modify the molecule halo by substituting a O=C(NC1CCCCNC1=O)c1cc2n(n1)CCN(Cc1c(Cl)cccc1Cl)C2=O with a aldehyde.,CC(=O)c1cccc(Cl)c1CN1CCn2nc(C(=O)NC3CCCCNC3=O)cc2C1=O
DelComponent,Please remove a CCOCCN(CC)S(=O)(=O)c1cc(Br)c(F)cc1N from the molecule halo.,CCOCCN(CC)S(=O)(=O)c1cc(Br)ccc1N
LogP,Optimize the molecule Clc1ccccc1NCc1cccc(OC2CCCC2)c1 to have a lower LogP value.,c1ccc(NCc2cccc(OC3CCCC3)c2)cc1
MR,Please modify the molecule CCOC(=O)c1cc(NC(=O)COc2ccc(C)cc2)ccc1Cl to increase its MR value.,CCOC(=O)c1cc(NC(=O)COc2ccc(C)cc2)ccc1C(=O)[OH]
QED,Modify the molecule CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CO)cc1Br to decrease its QED value.,CN(C1CC(c2ccccc2)S(=O)(=O)C1)S(=O)(=O)c1ccc(CO)cc1Br
AtomNum,"There is a molecule with 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 bromine atoms.",[NH3+]Cc1cccc(Br)c1OCc1ccccc1Br
BondNum,"Please generate a molecule consisting 16 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",O=C(NCC1CCCC1(F)F)Nc1ccc2c(c1)C[NH2+]C2
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 1 amine group, 1 nitro group, and 1 sulfone group.",CCC(O)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
AddComponent,Add a benzene ring to the molecule COc1ccccc1C(=O)NC1(C[NH3+])CCCCC1.,COc1cc(-c2ccccc2)ccc1C(=O)NC1(C[NH3+])CCCCC1
SubComponent,Please substitute a halo in the molecule Cc1nc(-c2ccncc2)sc1CC(=O)Nc1cccc(Br)c1 with a nitro.,Cc1nc(-c2ccncc2)sc1CC(=O)Nc1cccc(NO)c1
DelComponent,Remove a benzene ring from the molecule Cc1cccc(S(N)(=O)=O)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl.,CN(C(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl)S(N)(=O)=O
LogP,Modify the molecule ICCCOc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1 to have a lower LogP value.,O=C([OH])CCCOc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1
MR,Please optimize the molecule Cc1nc(C[NH+]2CCC2)nc(Cl)c1I to have a higher MR value.,Cc1nc(C[NH+]2CCC2)nc(NO)c1I
QED,Modify the molecule CC(O)C(=O)N1CCC(O)(c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)CC1 to increase its QED value.,CC(C#N)C(=O)N1CCC(O)(c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)CC1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Oc1ccc(C=NC(c2ccccn2)C2CCCCC2)cc1
BondNum,"The molecule is composed of 22 single bonds, 2 double bonds, 13 rotatable bonds, and 24 aromatic bonds.",O=C([O-])CC(NC(=O)c1cc(Br)ccc1OCCC[NH+]1CCOCC1)c1ccc(-c2ccccc2Oc2ccccc2)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 3 hydroxyl groups, and 1 halo group.",COc1ccc(C2Oc3cc(O)cc(O)c3CC2I)cc1O
AddComponent,Modify the molecule COC(=O)NCC1(CC(=O)[O-])CCC1 by adding a benzene ring.,COC(=O)NCC1(CC(=O)[O-])CCC1c1ccccc1
SubComponent,Please substitute a CC1CC(C)CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CC(C)CC(C)C2)c1
DelComponent,Remove a hydroxyl from the molecule CC(C(=O)[O-])C(=O)NCC1CCC(O)CC1.,CC(C(=O)[O-])C(=O)NCC1CCCCC1
LogP,Please modify the molecule C=C(Cl)C=CC=C(F)CC(=O)NCC(c1cnc(CC)s1)[NH+]1CCCC(F)(F)CC1 to decrease its LogP value.,C=C(Cl)C=CC=C(F)CC(=O)NCC(c1cnc(CC)s1)[NH+]1CCCC(F)(F)CC1O
MR,Optimize the molecule S=C(S)Nc1nc2ccc(Cl)nc2s1 to have a lower MR value.,S=C(S)c1nc2ccc(Cl)nc2s1
QED,Modify the molecule COc1ccc(O)c(C(=O)NCc2ccccc2C)c1 to have a higher QED value.,COc1ccc(C#N)c(C(=O)NCc2ccccc2C)c1
AtomNum,"The molecule has 19 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",O=C(NCc1cccnc1)C1C[NH+](CC2CCOCC2)Cc2cncn21
BondNum,"Please generate a molecule with 11 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",Cc1ccccc1S(=O)(=O)N1CC[NH2+]CC(C)C1
FunctionalGroup,There is a molecule composed of and 1 nitrile group.,N#Cc1cncnc1N1CC2CCCC2(c2nnc(C3CC3)o2)C1
AddComponent,Please add a benzene ring to the molecule CCn1cc(C2CCN(C(=O)Nc3ccccc3N(C)C3CCCC3)CC2)cn1.,CCn1cc(C2CCN(C(=O)Nc3c(-c4ccccc4)cccc3N(C)C3CCCC3)CC2)cn1
SubComponent,Substitute a CCCCC1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1CN(O)C=O in the molecule halo with a hydroxyl.,CCCCC1CN(Cc2ccc(O)c(Cl)c2)C(=O)C1CN(O)C=O
DelComponent,Remove a benzene ring from the molecule C=CCC1(O)OC(COC(C)=O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.,C=CCC1(O)OC(COC(C)=O)C(OCc2ccccc2)C(OC)C1OCc1ccccc1
LogP,Optimize the molecule COCCC[NH2+]C(C(=O)[O-])c1ccccc1OC to have a lower LogP value.,COCCC[NH2+]C(OC)C(=O)[O-]
MR,Optimize the molecule COc1ccc(C(O)CC[NH2+]C2CC2)cc1[N+](=O)[O-] to have a lower MR value.,COc1ccc(CCC[NH2+]C2CC2)cc1[N+](=O)[O-]
QED,Please optimize the molecule COc1ccccc1S(=O)(=O)N(Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)C(=O)[O-])cc1 to have a lower QED value.,COc1ccccc1S(=O)(=O)N(Cc1ccc(C(=O)[OH])cc1)Cc1ccc(C(F)(F)C(=O)[O-])cc1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",Cc1cc(NC(=O)c2cnc(Nc3cc(C(F)(F)F)ccc3Cl)nc2)no1
BondNum,"Please generate a molecule consisting 13 single bonds, and 4 rotatable bonds.",CCCCC[NH+]1CCC(F)(F)CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfone group.",CC1(n2nnnc2-c2ccc(Br)c(N)c2)CCS(=O)(=O)C1
AddComponent,Please add a nitrile to the molecule OCCCNC(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1.,N#Cc1cc(NC(=S)NCCCO)cc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc12
SubComponent,Substitute a nitro in the molecule CCC(C)NC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O with a thiol.,CCC(C)NC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([SH]=O)ccc1OC)S(C)(=O)=O
DelComponent,Remove a NNC(CC1CCOC1)c1cccc2ccccc12 from the molecule amine.,NC(CC1CCOC1)c1cccc2ccccc12
LogP,Please modify the molecule CCc1c[nH]c(=O)c2ccc(OC3CC[NH+](CCC(C)(F)F)CC3)c(F)c12 to decrease its LogP value.,CCc1c[nH]c(=O)c2ccc(OC3CC[NH+](CCC(C)F)CC3)c(F)c12
MR,Please optimize the molecule Cc1cc2c(NCc3ccncn3)nccn2n1 to have a lower MR value.,Cc1cc2c(Cc3ccncn3)nccn2n1
QED,Optimize the molecule C=CCc1ccccc1OCC(O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 to have a lower QED value.,C=CCc1ccccc1OCCC[NH+]1CCC(NC(=O)c2ccccc2)CC1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",COc1cc(C=CC(=O)N2CCC[NH+](C)CC2)cc(Cl)c1OC
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC1CCC(C(=O)[O-])CN1C(=O)C1Cc2ccccc21
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 amine group.",COc1ccc(Nc2nc(C)c(CC(=O)[O-])o2)c(OC)c1
AddComponent,Modify the molecule CCCNc1nc(C2CC2)nc(-c2ccsc2C)c1C by adding a aldehyde.,Cc1sccc1-c1nc(C2CC2)nc(NCC(C)CC=O)c1C
SubComponent,Modify the molecule halo by substituting a Cc1ccc(C)c(C(=O)C(C)N(C)CC(F)(F)F)c1 with a nitro.,Cc1ccc(C)c(C(=O)C(C)N(C)CC(F)(F)NO)c1
DelComponent,Remove a Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[NH+](C)CC(O)c3cnccn3)sc21 from the molecule benzene ring.,Cn1cc(C(=O)NCCl)c(=O)c2cc(C[NH+](C)CC(O)c3cnccn3)sc21
LogP,Optimize the molecule CCC(C)(NC(=O)CSCc1ccc(Cl)cc1)C(=O)[O-] to have a lower LogP value.,CCC(C)(NC(=O)CSCc1ccc(S)cc1)C(=O)[O-]
MR,Please optimize the molecule COCC(=O)Nc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1 to have a lower MR value.,COCC(=O)Nc1ccc(N2C(=S)C(c3ccccn3)C2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1
QED,Please optimize the molecule CC(C)(C)OC(=O)CCc1cc(CCc2ccccc2OCCC[NH+]2CCC(c3noc4cc(F)ccc34)CC2)cc(CCN2C(=O)c3ccccc3C2=O)c1 to have a higher QED value.,CC(C)(C)OC(=O)CCc1cc(CCc2ccccc2OCCC[NH+]2CCC(c3noc4ccccc34)CC2)cc(CCN2C(=O)c3ccccc3C2=O)c1
AtomNum,"The molecule is composed of 8 carbon atoms, 5 nitrogen atoms, and 1 chlorine atom.",CCn1ccc(-n2nncc2CCl)n1
BondNum,"There is a molecule consisting of 24 single bonds, 1 double bond, and 7 rotatable bonds.",C1=C[NH+](CCN2CCCCC2)CN1CCC[NH+]1CCCCCC1
FunctionalGroup,There is a molecule consisting of and 1 amide group.,COCCN(CC(=O)[O-])C(=O)Cc1c[nH]c2cccc(OC)c12
AddComponent,Add a carboxyl to the molecule Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)CC2)cc1.,Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)CC2C(=O)O)cc1
SubComponent,Modify the molecule halo by substituting a CC(C)(C)n1cccc1C=C1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O with a thiol.,CC(C)(C)n1cccc1C=C1C(=O)NC(=S)N(c2ccc(S)cc2)C1=O
DelComponent,Modify the molecule benzene ring by removing a CC(F)(F)c1ccc(C2COCCN2c2ncnc(NCC3(O)CCOC3)c2F)cc1.,CC(F)(F)C1COCCN1c1ncnc(NCC2(O)CCOC2)c1F
LogP,Modify the molecule C[NH2+]C(C)(C)C(=O)N(C)CCCOc1ccccc1 to decrease its LogP value.,C[NH2+]C(C)(C)C(=O)N(C)CCCO
MR,Modify the molecule C[NH+]1CCN(C(=O)CCc2nc3ccccc3s2)CC1 to have a higher MR value.,C[NH+]1CCN(C(=O)CCc2nc3ccc(-c4ccccc4)cc3s2)CC1
QED,Modify the molecule CNC(=O)CN(C)c1ncc(N)cc1C(=O)OC to decrease its QED value.,CNC(=O)CN(C)c1ncc(N)c(O)c1C(=O)OC
AtomNum,"The molecule contains 20 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C(CN1C(=O)CSc2ccccc21)OCC(=O)N1CCc2ccccc21
BondNum,"The molecule consists of 13 single bonds, 4 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",O=C1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC(=O)N1
FunctionalGroup,"The molecule contains 1 ester group, and 1 nitrile group.",CC(C#N)OC(=O)c1cc(-c2cccnc2)nc2ccccc12
AddComponent,Please add a benzene ring to the molecule CCCCNc1cc(C)cc(C)n1.,Cc1cc(C)nc(NCCCCc2ccccc2)c1
SubComponent,Modify the molecule halo by substituting a COc1ccc(CC[NH2+]Cc2cc(Br)c(OCc3cccnc3)c(OC)c2)cc1OC with a thiol.,COc1ccc(CC[NH2+]Cc2cc(S)c(OCc3cccnc3)c(OC)c2)cc1OC
DelComponent,Remove a amide from the molecule Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2F)cc1.,Cc1cc(C(C#N)c2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2F)cc1
LogP,Please modify the molecule Cc1ccccc1CC1(O)C(Cc2ccccc2)CCCC1C[NH+](C)C to increase its LogP value.,Cc1ccccc1CC1C(Cc2ccccc2)CCCC1C[NH+](C)C
MR,Optimize the molecule CCOC(=O)C1CCCCN1C(=O)Cc1c(C)cc(C)c(C)c1C to have a higher MR value.,CCOC(=O)C1C(c2ccccc2)CCCN1C(=O)Cc1c(C)cc(C)c(C)c1C
QED,Please optimize the molecule Brc1ccc2c3c(oc2c1)CC[NH2+]C3 to have a lower QED value.,Brc1cc(-c2ccccc2)c2c3c(oc2c1)CC[NH2+]C3
AtomNum,"The molecule has 13 carbon atoms, 1 phosphorus atom, and 1 antimony atom.",CC(C)P(C[Sb](C(C)C)C(C)C)C(C)C
BondNum,"Please generate a molecule consisting 15 single bonds, 3 double bonds, 5 rotatable bonds, and 21 aromatic bonds.",Cc1c(-c2ccc(S(=O)(=O)Nc3ccc(N4C=[NH+]c5occc5C4[NH3+])cc3)s2)n[nH]c1C(F)(F)F
FunctionalGroup,The molecule has and 1 amine group.,Cc1nc(-c2ccncc2)nc(NCC(c2cnn(C)c2)[NH+](C)C)c1C
AddComponent,Add a hydroxyl to the molecule N#CCNC(=O)C(=O)NCCCO.,N#CCNC(=O)C(=O)NCC(O)CO
SubComponent,Modify the molecule CCn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCCOc1ccccc1OC by substituting a halo with a aldehyde.,CC(=O)c1ccc(C(=O)NCCc2nnc(SCCOc3ccccc3OC)n2CC)cc1Cl
DelComponent,Please remove a COCC(O)CN(C)c1c(C[NH2+]C2CC2)c(C)nn1C from the molecule hydroxyl.,COCCCN(C)c1c(C[NH2+]C2CC2)c(C)nn1C
LogP,Modify the molecule COc1cccc(OC)c1S(C)=O to decrease its LogP value.,COc1cccc(OCC(=O)O)c1S(C)=O
MR,Modify the molecule CC(C)(O)C(=O)Nc1sc(S(=O)(=O)c2cc(F)ccc2Br)cc1C(N)=O to decrease its MR value.,CC(C)C(=O)Nc1sc(S(=O)(=O)c2cc(F)ccc2Br)cc1C(N)=O
QED,Optimize the molecule CC(C)CN(C(=O)c1nnn(-c2ccccc2F)c1CO)C1CC(C(=O)N2CCOCC2)CN(C(=O)[O-])C1C(C)(C)C to have a higher QED value.,Cc1c(C(=O)N(CC(C)C)C2CC(C(=O)N3CCOCC3)CN(C(=O)[O-])C2C(C)(C)C)nnn1-c1ccccc1F
AtomNum,"The molecule has 13 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCC[NH2+]C(c1cccnc1)C1CCCS1
BondNum,"The molecule has 12 single bonds, 2 double bonds, 9 rotatable bonds, and 5 aromatic bonds.",[NH3+]CCCCCc1nc(CC(=O)NCC(=O)[O-])cs1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 2 amide groups.",CC(=O)Nc1ccc(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1
AddComponent,Modify the molecule CC(C)C1CCCC(NC(=O)C2CCC[NH2+]C2)C1 by adding a hydroxyl.,CC(CO)C1CCCC(NC(=O)C2CCC[NH2+]C2)C1
SubComponent,Substitute a halo in the molecule Cc1cccc(NC(=O)C[NH2+]C(c2ccc(Cl)cc2)C(C)C)c1C with a thiol.,Cc1cccc(NC(=O)C[NH2+]C(c2ccc(S)cc2)C(C)C)c1C
DelComponent,Modify the molecule benzene ring by removing a CCOC(=O)Oc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1.,CCOC(=O)ONC(=O)Nc1cccc(C(=O)[O-])c1
LogP,Optimize the molecule COc1cc(Br)cc(C)c1NC1CSC(C)C1 to have a lower LogP value.,COc1cc(C(=O)[OH])cc(C)c1NC1CSC(C)C1
MR,Optimize the molecule C=C1CC23CC1(O)CCC2C1=CC(OC)C(O)C(C)(C(C)=O)C1C3C(=O)On1nnc2ccccc21 to have a higher MR value.,CC(=O)C12CCC3C4=CC(OC)C(O)C(C)(C(C)=O)C4C(C(=O)On4nnc5ccccc54)C3(CC1=C)C2
QED,Modify the molecule CCCC(Cc1cc2cc(OCc3ccccc3)ccc2[nH]1)C(=O)OC to increase its QED value.,CCCC(Cc1cc2cc(OC)ccc2[nH]1)C(=O)OC
AtomNum,"The molecule is composed of 15 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CCC[NH2+]C(c1cncnc1)C1C[NH+](CCC)CCO1
BondNum,"Please generate a molecule consisting 15 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C(C=Cc1ccc(C(F)(F)F)cc1)NC1CCCCNC1=O
FunctionalGroup,"Please generate a molecule with 1 amide group, 1 halo group, and 1 sulfide group.",O=C1Nc2ccccc2SC1=Cc1ccc(I)o1
AddComponent,Modify the molecule Cc1cccc(CC(=O)Nc2ccccc2C(C)Br)c1 by adding a hydroxyl.,CC(Br)c1ccccc1NC(=O)Cc1cccc(CO)c1
SubComponent,Substitute a CC(C)C1(O)CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 in the molecule halo with a carboxyl.,CC(C)C1(O)CN(C(=O)c2cc(Cl)c(N)c(C(=O)[OH])c2)C1
DelComponent,Remove a Clc1cc(Nc2ncnc3cccc(OCC4C[NH2+]CCO4)c23)ccc1OCc1ccccn1 from the molecule halo.,c1ccc(COc2ccc(Nc3ncnc4cccc(OCC5C[NH2+]CCO5)c34)cc2)nc1
LogP,Please modify the molecule CC1=Nc2cc3c(cc2NC1)OC(F)(F)O3 to increase its LogP value.,CC1=Nc2cc3c(cc2C1)OC(F)(F)O3
MR,Please modify the molecule O=C(CC1CCN2CC1CCCOc1ccccc1C[NH+](Cc1ccccc1O)CC2=O)N1CCOCC1 to decrease its MR value.,O=C(CC1CCN2CC1CCCOc1ccccc1C[NH+](Cc1ccccc1)CC2=O)N1CCOCC1
QED,Optimize the molecule CCCCN(CCCC)c1ccc(C=C(CCCC2(C)c3cc(Br)ccc3-c3ccc(Br)cc32)C(=O)[O-])c(O)c1 to have a higher QED value.,CCCCN(CCCC)c1ccc(C=C(CCCC2(C)c3ccccc3-c3ccc(Br)cc32)C(=O)[O-])c(O)c1
AtomNum,"The molecule contains 15 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 2 chlorine atoms.",Nc1c(CC(=O)[O-])cc(Cl)cc1C(=O)c1ccc(Cl)cc1
BondNum,"There is a molecule consisting of 12 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",COc1cc(C)c(SC2CCC[NH2+]C2)cc1C
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 9 amide groups, and 3 amine groups.",CCCCC(NC(C)=O)C(=O)NC1CC(=O)NCCCCC(C(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CC([NH+]=C(N)N)CN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC1=O
AddComponent,Add a aldehyde to the molecule Cc1nc2c3ccccc3nc(SCc3cc(=O)oc4cc(O)c(Cl)cc34)n2n1.,Cc1nc2c3ccccc3nc(SC(CC=O)c3cc(=O)oc4cc(O)c(Cl)cc34)n2n1
SubComponent,Please substitute a CC(C)n1c(N)nnc1SCCSc1ccc(F)cc1 in the molecule halo with a thiol.,CC(C)n1c(N)nnc1SCCSc1ccc(S)cc1
DelComponent,Please remove a amine from the molecule N#CC1CNCCN1CC(=O)N1CCCC1c1cccs1.,N#CC1CCCN1CC(=O)N1CCCC1c1cccs1
LogP,Please modify the molecule CC(OCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 to decrease its LogP value.,CC(OCCCNC(=O)CN(C)S(=O)(=O)c1ccc(O)cc1)c1ccccc1
MR,Please modify the molecule O=C(CC1CS(=O)(=O)CCN1)NCC1CCCO1 to decrease its MR value.,O=C(CC1CCS(=O)(=O)C1)NCC1CCCO1
QED,Optimize the molecule CC(=O)C(C)c1ccc(C(F)(F)F)cc1 to have a lower QED value.,CC(=O)C(C)c1ccc(C(F)(F)NO)cc1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",Cc1c(NC2CC(NC(=O)OCc3ccccc3)C2)cccc1C(=O)[O-]
BondNum,"Please generate a molecule consisting 21 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CC[NH+](CC)C1C(COC(C)=O)C2CN(S(=O)(=O)c3ccc(C)cc3)C(c3ccccc3)C21
FunctionalGroup,Please generate a molecule with and 1 ester group.,CC(C)(C)OC(=O)C[NH2+]C1CCc2cccnc21
AddComponent,Please add a hydroxyl to the molecule CSCCC(O)C(=O)NCc1noc(CC(C)C)n1.,CSC(O)CC(O)C(=O)NCc1noc(CC(C)C)n1
SubComponent,Please substitute a halo in the molecule CCCC(OCC)C(NN)c1ccc(C)c(F)c1F with a hydroxyl.,CCCC(OCC)C(NN)c1ccc(C)c(O)c1F
DelComponent,Remove a CC(Cc1ccsc1)Nc1cnn(CCO)c1 from the molecule hydroxyl.,CCn1cc(NC(C)Cc2ccsc2)cn1
LogP,Modify the molecule CCC(C)(C)[NH2+]CC(C)N(C)Cc1ccc(Br)cc1 to increase its LogP value.,CC(C[NH2+]C(C)(C)C(C)c1ccccc1)N(C)Cc1ccc(Br)cc1
MR,Modify the molecule CCC(O)C1(C)OC(c2ccccc2)=CC1=O to have a higher MR value.,CCC(NO)C1(C)OC(c2ccccc2)=CC1=O
QED,Please modify the molecule C=CCc1ccccc1CCc1ccccc1CC=C to decrease its QED value.,C=CCc1ccccc1CCc1cccc(-c2ccccc2)c1CC=C
AtomNum,"Please generate a molecule with 19 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 2 chlorine atoms.",O=C(Cc1cscc1Nc1cccc(Cl)c1Cl)OCc1ccccc1
BondNum,"There is a molecule with 5 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",C=C(Br)C(O)Cc1ccccc1
FunctionalGroup,There is a molecule composed of and 1 hydroxyl group.,CCCOc1ccc2c(O)c3c([O-])cc(=O)cc-3oc2c1
AddComponent,Please add a benzene ring to the molecule CCCC[Si](C)(C)OC(C)C(=O)OC1CCCOC1.,CC(O[Si](C)(C)CCC(C)c1ccccc1)C(=O)OC1CCCOC1
SubComponent,Please substitute a hydroxyl in the molecule OC1CCCC1C1CCC[NH+]1CCC[NH+]1CCCC1 with a halo.,IC1CCCC1C1CCC[NH+]1CCC[NH+]1CCCC1
DelComponent,Please remove a CC(C)OCCCCNC(=O)c1ccc(F)cc1I from the molecule benzene ring.,CC(C)OCCCCNC(=O)[IH]F
LogP,Modify the molecule CCOc1nccc(-c2ccccc2F)c1CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 to increase its LogP value.,CCOc1nccc(-c2ccccc2F)c1CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
MR,Modify the molecule [NH3+]CCCCc1ccc(O)c(F)c1F to have a higher MR value.,[NH3+]CCCCc1ccc(O)c(NO)c1F
QED,Modify the molecule N#Cc1cccc(CN2CCC=C(CCC(=O)NO)C2=O)c1 to increase its QED value.,N#Cc1cccc(CN2CCC=C(CCC(N)=O)C2=O)c1
AtomNum,"The molecule consists of 13 carbon atoms, and 2 nitrogen atoms.",CCN(CCC1CC1)c1ccc(N)cc1
BondNum,"The molecule has 29 single bonds, 4 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)N(C(=O)Oc1c(C=C2SC(=O)[N-]C2=O)cccc1OCC1CCCCC1)C1CCC[NH2+]C1
FunctionalGroup,Please generate a molecule composed of and 3 amine groups.,CCNC(NCCOc1cccnc1)=[NH+]CCCn1nc(C)cc1C
AddComponent,Add a hydroxyl to the molecule CCOC(=O)ON1c2ccc(C(F)(F)F)cc2C(Nc2ncc(-c3nnn(CCO)n3)c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1CC.,CCOC(=O)ON1c2ccc(C(F)(F)F)cc2C(O)(Nc2ncc(-c3nnn(CCO)n3)c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1CC
SubComponent,Modify the molecule halo by substituting a CC(C)C1CCN(C(C[NH3+])c2cccc(C(F)F)c2)C1 with a nitro.,CC(C)C1CCN(C(C[NH3+])c2cccc(C(F)NO)c2)C1
DelComponent,Modify the molecule halo by removing a COc1ccc(-c2n[nH]c(=O)cc2Cl)cc1OC.,COc1ccc(-c2ccc(=O)[nH]n2)cc1OC
LogP,Optimize the molecule CNc1ncc(-c2ccc(Cl)cc2)s1 to have a lower LogP value.,CNc1ncc(-c2ccccc2)s1
MR,Please optimize the molecule Cn1ccc(=O)n(CCCc2nc(CCl)cs2)c1=O to have a lower MR value.,Cc1csc(CCCn2c(=O)ccn(C)c2=O)n1
QED,Please optimize the molecule Cc1cc2c(cc1F)NC(=O)CCC2 to have a higher QED value.,Cc1cc2c(cc1F)NC(=O)CCC2O
AtomNum,"The molecule is composed of 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",COc1cc(NC2CCC(C)CC2)ccc1NC(C)=O
BondNum,"There is a molecule consisting of 17 single bonds, 2 double bonds, and 7 rotatable bonds.",CCC(CC1CCCCC1)C(=O)N(C)CCC(=O)[O-]
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amide group.",Cc1ccccc1-n1nc(C)c(C(=O)NC(C)C)c1C(C)C
AddComponent,Modify the molecule C#CN(Nc1cc(OC)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C by adding a hydroxyl.,COc1ccc([N+](=O)[O-])c(NN(C#CO)C(=O)OC(C)(C)C)c1
SubComponent,Please substitute a halo in the molecule CCC(C)NC(=O)c1ccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)N4CCCC(C)C4)cc3C)CC2)cc1Cl with a aldehyde.,CC(=O)c1cc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)N4CCCC(C)C4)cc3C)CC2)ccc1C(=O)NC(C)CC
DelComponent,Modify the molecule Cc1ccsc1-c1ccccc1CNc1nc(=NC2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3[O-])c2n1 by removing a benzene ring.,Cc1ccsc1CNc1nc(=NC2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3[O-])c2n1
LogP,Optimize the molecule Cc1cnc(C)c(C(C)(O)c2ccccn2)n1 to have a higher LogP value.,Cc1cnc(C)c(C(C)(I)c2ccccn2)n1
MR,Optimize the molecule CCCNc1ccc(Cl)c(CSc2nc(C)cs2)n1 to have a higher MR value.,CCCNc1nc(CSc2nc(C)cs2)c(Cl)cc1-c1ccccc1
QED,Please optimize the molecule CC1CCCN(c2ccc(Br)cc2CO)CC1 to have a lower QED value.,Cc1cc(Br)ccc1N1CCCC(C)CC1
AtomNum,"There is a molecule with 69 carbon atoms, 17 oxygen atoms, and 2 phosphorus atoms.",CCC(C)CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC(C)C)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C
BondNum,"The molecule contains 76 single bonds, 14 double bonds, 48 rotatable bonds, and 35 aromatic bonds.",CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(CCCCNC(=O)CN(C)C(=O)c1ccccn1)C(=O)NC(CCCCNC(=O)c1ccccn1)C(=O)NC(CC(C)C)C(=O)NC(CCCC[NH2+]C(C)C)C(=O)N1CCCC1C(=O)NC(C)C(N)=O
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,CC([NH2+]Cc1cnc[nH]1)c1cccc(-n2cnnn2)c1
AddComponent,Add a benzene ring to the molecule COC(=O)COc1ccc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C[NH+]2CCOCC2)cc1C(C)C.,CC(C)c1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C[NH+]2CCOCC2)ccc1OCC(=O)OCc1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule CCC(C)(C(=O)N(C)CC(C)C)C(N)=[NH+]O with a halo.,CCC(C)(C(=O)N(C)CC(C)C)C(N)=[NH+]Cl
DelComponent,Remove a halo from the molecule C[NH+](C)C(c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1.,C[NH+](C)C(c1cccc(Cl)c1)C1CC[NH2+]CC1
LogP,Please optimize the molecule CCC(CC)N(CC(C)C)C(=O)CCC(=O)OC(C)(C)C to have a lower LogP value.,CCC(CC)N(CC(C)C)C(=O)CCC(=O)OC(C)(C)CO
MR,Please modify the molecule CCCCCCCCCCCCOc1cc(I)c(OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1I to increase its MR value.,CC(CCCCCCCCCCOc1cc(I)c(OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1I)C(=O)O
QED,Please modify the molecule COCCc1sc(S(=O)(=O)NC(=O)Nc2cc(Br)cc(NCC(F)F)n2)cc1C to decrease its QED value.,COCCc1sc(S(=O)(=O)NC(=O)Nc2cc(C(=O)[OH])cc(NCC(F)F)n2)cc1C
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCCCN(C)C(=O)Oc1cccc(NC(=O)OC)c1
BondNum,"Please generate a molecule with 14 single bonds, and 5 rotatable bonds.",CCC(C)[NH+](CC)C1CCCC1C[NH3+]
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, and 1 halo group.",Cc1cc(C)c(C(O)c2ccc(Cl)cc2C)cc1C
AddComponent,Modify the molecule CC(CCNc1ccc2c(c1)CCC2)c1ccccc1 by adding a carboxyl.,CC(c1ccccc1)C(CNc1ccc2c(c1)CCC2)C(=O)O
SubComponent,Substitute a halo in the molecule CC(C)(C)CCCOc1ccc(F)cc1C(=O)[O-] with a nitrile.,CC(C)(C)CCCOc1ccc(C#N)cc1C(=O)[O-]
DelComponent,Remove a O=C1[NH+]=C(NNc2c(Cl)cc(Cl)cc2Cl)SC1=Cc1ccc(Br)cc1 from the molecule benzene ring.,O=C1[NH+]=C(NNc2c(Cl)cc(Cl)cc2Cl)SC1=CBr
LogP,Modify the molecule C=CCN(Cc1ccc(Cl)s1)C(=O)C[NH+](C)CC(=O)NC(C)(C)C to decrease its LogP value.,C=CCN(Cc1ccc(C#N)s1)C(=O)C[NH+](C)CC(=O)NC(C)(C)C
MR,Optimize the molecule C[NH+]=C(NCCc1nc(-c2cccc(Cl)c2)no1)NCC1CC(=O)Nc2ccccc21 to have a lower MR value.,C[NH+]=C(NCCc1nc(-c2cccc(Cl)c2)no1)NCC1c2ccccc21
QED,Modify the molecule O=S1(=O)c2nc3ccccc3n2CCN1c1ccc(Cl)cc1 to have a lower QED value.,O=S1(=O)c2nc3ccccc3n2C(c2ccccc2)CN1c1ccc(Cl)cc1
AtomNum,"There is a molecule composed of 8 carbon atoms, and 3 oxygen atoms.",COC(=O)C(CCO)=C(C)C
BondNum,"The molecule contains 33 single bonds, 6 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)OC(=O)NC(NC(=O)OC(C)(C)C)=[NH+]Cc1cc(N)cc(C[NH+]=C(NC(=O)OC(C)(C)C)N2C(=O)OC2(C)C)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 halo group.",C[NH+](C)CCNC(=O)CCc1nnc(-c2ccccc2F)o1
AddComponent,Modify the molecule O=C(Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21)OC1CCCC1 by adding a benzene ring.,O=C(Cn1c(=O)c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21)OC1CCCC1
SubComponent,Please substitute a halo in the molecule Cc1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)ccc1F with a nitro.,Cc1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)ccc1NO
DelComponent,Remove a amide from the molecule CNC(=O)C1CCCC1NC(=O)N1CCOC2(CCCC2)C1.,CC1(NC(=O)N2CCOC3(CCCC3)C2)CCC1
LogP,Please modify the molecule Cc1cc(C)c(COC(=O)C(C)CC#N)c(C)c1 to decrease its LogP value.,Cc1cc(C)c(COC(=O)C(C)CNO)c(C)c1
MR,Modify the molecule O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(N2CCCCC2)c2ccncc12 to decrease its MR value.,O=C(Cn1ccc(C(F)F)n1)Nc1ccc(N2CCCCC2)c2ccncc12
QED,Please modify the molecule CCc1cc(CC)n(CC(=O)c2ccc(Cl)cc2)n1 to decrease its QED value.,CCc1cc(CC)n(CC(=O)c2ccc(Cl)cc2-c2ccccc2)n1
AtomNum,"The molecule has 12 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CCOC(=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-]
BondNum,"The molecule contains 5 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",Nc1c(C(=O)c2ccc(Cl)cc2)nnn1-c1ccccc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 1 sulfide group.",Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1
AddComponent,Modify the molecule [N-]=[N+]=NC1CC(n2cc(C[NH+]3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c(=O)[nH]c2=O)OC1CO by adding a benzene ring.,[N-]=[N+]=NC1CC(n2cc(C[NH+]3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])c(-c4ccccc4)n5C4CC4)CC3)c(=O)[nH]c2=O)OC1CO
SubComponent,Substitute a halo in the molecule CCCC([NH3+])C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1 with a nitro.,CCCC([NH3+])C(Oc1ccc2c(cnn2-c2ccc(NO)cc2)c1)c1ccccc1
DelComponent,Remove a CCCC1CC(=O)C(Cc2cc(Cl)nn3c(-c4ccccc4)nnc23)C1 from the molecule halo.,CCCC1CC(=O)C(Cc2ccnn3c(-c4ccccc4)nnc23)C1
LogP,Optimize the molecule COc1ccc2[nH]c(=O)c(C([NH3+])c3cccc(C)c3)cc2c1 to have a lower LogP value.,COc1ccc2[nH]c(=O)c(C(C)[NH3+])cc2c1
MR,Please optimize the molecule CCN1c2ccccc2NC2SC(C)=NC21 to have a higher MR value.,CCN1c2ccccc2NC2SC(C)=NC21C(=O)O
QED,Please optimize the molecule COc1ccc(NC(=S)NNC(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)c(OC)c1 to have a higher QED value.,COc1ccc(NC(=S)NNC(=O)c2cccc(COc3ccc(Cl)cc3)c2)c(OC)c1
AtomNum,"There is a molecule composed of 13 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CN1CC(NC(=O)NC2CC3CCC2O3)CCC1=O
BondNum,"There is a molecule composed of 4 single bonds, 3 rotatable bonds, and 16 aromatic bonds.",[NH3+]C(c1ccccc1)c1nnc(-c2nccs2)o1
FunctionalGroup,Please generate a molecule with and 2 benzene ring groups.,c1ccc(Oc2cc3ccc4cc(-c5ccccc5)cc5ccc(c2)c3c45)cc1
AddComponent,Add a benzene ring to the molecule O=C(Cc1coc2cc3c(cc12)CCC3)NC1CCCCCC1.,O=C(Cc1coc2cc3c(cc12)CCC3)NC1(c2ccccc2)CCCCCC1
SubComponent,Substitute a COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)C in the molecule halo with a nitrile.,COc1c(C(=O)[O-])cc(C#N)cc1S(=O)(=O)N(C)C
DelComponent,Remove a halo from the molecule CCC(C)C([NH3+])C(=O)NCCOc1ncc(Cl)cc1Cl.,CCC(C)C([NH3+])C(=O)NCCOc1ccc(Cl)cn1
LogP,Modify the molecule CCSc1ncc(-c2nccn2-c2cc(C#N)ccc2[O-])cn1 to have a lower LogP value.,CCSc1ncc(-c2nccn2-c2cc(O)ccc2[O-])cn1
MR,Please modify the molecule CCn1nc(C)cc1C(=O)Cc1ccc(Cl)s1 to decrease its MR value.,CCn1nc(C)cc1C(=O)Cc1cccs1
QED,Please modify the molecule CCOCc1ccccc1NCc1cc(F)c(F)c(F)c1 to decrease its QED value.,CCOCc1ccccc1NCc1cc(F)c(F)c(S)c1
AtomNum,"The molecule consists of 16 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cn1c(CC2CC2)nnc1N1CCC(S(=O)(=O)N2CCCC2)CC1
BondNum,"The molecule consists of 11 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",O=[N+]([O-])c1cn[nH]c1N1CC[NH+](Cc2ccccc2)CC1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, and 3 halo groups.",C[NH+](C)C(CNC(=O)C=Cc1ccc(OC(F)F)cc1)c1cccc(F)c1
AddComponent,Please add a benzene ring to the molecule O=C(NCc1cccnc1)C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1.,O=C(NC(c1ccccc1)c1cccnc1)C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1
SubComponent,Substitute a O=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 in the molecule halo with a thiol.,O=C(Nc1cnn(Cc2ccc(S)c(Cl)c2)c1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1
DelComponent,Please remove a hydroxyl from the molecule NC(=[NH+]O)c1ccc(OCC[NH2+]CCn2ccnn2)cc1.,[NH+]=C(N)c1ccc(OCC[NH2+]CCn2ccnn2)cc1
LogP,Modify the molecule O=C([O-])C(Cc1cnc[nH]1)[NH2+]N1C=NCC1 to increase its LogP value.,O=C([O-])C([NH2+]N1C=NCC1)C(c1ccccc1)c1cnc[nH]1
MR,Optimize the molecule C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1 to have a lower MR value.,C=CC1CC1(NC(=O)C1CC(Oc2ccnc3cc(OC)ccc23)CN1C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
QED,Modify the molecule N#Cc1cccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1 to increase its QED value.,N#Cc1cccc(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c1
AtomNum,"The molecule consists of 25 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",Cc1c(-c2ccccc2)nc(-c2cccc(C=CC(=O)NO)c2)n1CC[NH+]1CCOCC1
BondNum,"There is a molecule with 10 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 6 aromatic bonds.",CCc1nnc(NCCS(C)(=O)=O)c(C#N)c1CC
FunctionalGroup,Please generate a molecule consisting and 1 sulfide group.,O=C([O-])Cc1coc(Cc2cccs2)n1
AddComponent,Add a amine to the molecule COC(=O)c1ccc(C([NH3+])c2ccc(F)cc2C)o1.,COC(=O)c1cc(N)c(C([NH3+])c2ccc(F)cc2C)o1
SubComponent,Modify the molecule hydroxyl by substituting a CC(O)C1CCC2C3CCC4CCC(C#N)CC4(C)C3CCC12C with a nitrile.,CC(C#N)C1CCC2C3CCC4CCC(C#N)CC4(C)C3CCC12C
DelComponent,Remove a benzene ring from the molecule Cc1ccc(C(=O)OC2CCCC2)cc1.,CC(=O)OC1CCCC1
LogP,Please modify the molecule CC(C)NC(=O)NCC1CC2CC[NH+]1CC2c1cc(-c2ccccc2)nn1C to decrease its LogP value.,CC(C)NC(=O)NCC1CC2CC[NH+]1CC2c1ccnn1C
MR,Modify the molecule CC1(C)CCC(C[NH2+]C2CC2)C(c2ccc(Cl)s2)C1 to increase its MR value.,CC1(C)CCC(C[NH2+]C2CC2)C(c2ccc(S)s2)C1
QED,Please modify the molecule COc1ccc(C#N)cc1CS(=O)(=O)C1CCOC1C to increase its QED value.,COc1ccc(C#N)cc1CS(=O)(=O)C1CC(O)OC1C
AtomNum,"There is a molecule consisting of 14 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCCC[NH2+]CCOc1ccc(C)cc1C
BondNum,"There is a molecule with 14 single bonds, 2 double bonds, and 11 rotatable bonds.",COC(=O)CCCCCCC=CCCCCO
FunctionalGroup,The molecule is composed of and 2 ester groups.,C=CC(=O)OCCOC(=O)CCCCC[NH3+]
AddComponent,Add a carboxyl to the molecule Cc1cc(=O)oc2cc(OCc3ccccc3C(F)(F)F)ccc12.,Cc1cc(=O)oc2cc(OCc3ccccc3C(F)(F)F)cc(C(=O)O)c12
SubComponent,Modify the molecule O=C(CSc1cn(Cc2ccccc2Cl)c2ccccc12)Nc1cccc(F)c1 by substituting a halo with a aldehyde.,CC(=O)c1ccccc1Cn1cc(SCC(=O)Nc2cccc(F)c2)c2ccccc21
DelComponent,Please remove a COC(=O)c1ncn(Cc2cccc(N)c2)n1 from the molecule amine.,COC(=O)c1ncn(Cc2ccccc2)n1
LogP,Modify the molecule Cc1ccc(O)c(NC(=O)C=Cc2ccc(C(C)C)cc2)c1 to have a lower LogP value.,Cc1ccc(C(=O)[OH])c(NC(=O)C=Cc2ccc(C(C)C)cc2)c1
MR,Modify the molecule CC1CC(C(=O)N2Cc3nnn(C)c3C(COCC[NH+](C)C)C2)C1 to decrease its MR value.,CC1CC1C1Cc2nnn(C)c2C1COCC[NH+](C)C
QED,Please optimize the molecule CC(C)C(O)C[NH2+]CC1CC[NH+](C)CC1 to have a higher QED value.,CC(=O)C(C[NH2+]CC1CC[NH+](C)CC1)C(C)C
AtomNum,"Please generate a molecule consisting 46 carbon atoms, and 5 nitrogen atoms.",CC(C)c1cccc(C(C)C)c1-n1c(-c2cccc(-c3n(-c4c(C(C)C)cccc4C(C)C)c4ccccc4[n+]3C)[n+]2C)[n+](C)c2ccccc21
BondNum,"The molecule has 6 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",Nc1cc(C(=O)[O-])cnc1NCc1cccnc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 halo group.",CCCC1CCN(c2ccc(C[NH2+]C)cc2Br)C1
AddComponent,Please add a benzene ring to the molecule CN(C(=O)c1cc(S(=O)(=O)Cl)cn1C1CCCC1)C1CC1.,CN(C(=O)c1cc(S(=O)(=O)Cl)cn1C1CCC(c2ccccc2)C1)C1CC1
SubComponent,Substitute a halo in the molecule CC(C)(CC[NH3+])CC(C)(CCl)CC[NH3+] with a hydroxyl.,CC(C)(CC[NH3+])CC(C)(CO)CC[NH3+]
DelComponent,Modify the molecule benzene ring by removing a O=C(Nc1ccc(Cl)cc1I)c1cccc(F)c1.,O=C(F)Nc1ccc(Cl)cc1I
LogP,Optimize the molecule Cc1ccccc1S(=O)(=O)N1CCCC(CCc2nc(-c3cccnc3)no2)C1 to have a lower LogP value.,CS(=O)(=O)N1CCCC(CCc2nc(-c3cccnc3)no2)C1
MR,Please modify the molecule O=c1[nH]c(-c2ccccc2)c(Cl)s1 to decrease its MR value.,O=c1[nH]cc(Cl)s1
QED,Please optimize the molecule COC(=O)c1cc(F)ccc1NC(C)CC1CC1 to have a lower QED value.,COC(=O)c1ccccc1NC(C)CC1CC1
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",COc1ccc2c(C(C)O)cn(C(C)C)c2c1
BondNum,"The molecule has 45 single bonds, 8 double bonds, 31 rotatable bonds, and 6 aromatic bonds.",CC(CC(=O)C(CCCC[NH3+])NC(=O)C(CC(=O)C(C)NC(=O)C(CCCC[NH3+])CC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(C)Cc1ccc(O)cc1)C(C)C)C(N)=O
FunctionalGroup,"The molecule is composed of 2 amide groups, 1 halo group, and 1 sulfide group.",O=C(NC1CCN(C(=O)C2CC2)CC1)c1sc2ccccc2c1Cl
AddComponent,Please add a hydroxyl to the molecule CCC(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C1CC(C)(C)[NH2+]C(C)(C)C1.,CC(O)C(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C1CC(C)(C)[NH2+]C(C)(C)C1
SubComponent,Substitute a halo in the molecule Nc1c(Cl)c(Cl)[nH+]c(C(=O)OCCOc2cccc(Br)c2)c1Cl with a aldehyde.,CC(=O)c1c(Cl)[nH+]c(C(=O)OCCOc2cccc(Br)c2)c(Cl)c1N
DelComponent,Remove a hydroxyl from the molecule CCN(C)S(=O)(=O)c1cncc(C#CCCO)c1.,CCC#Cc1cncc(S(=O)(=O)N(C)CC)c1
LogP,Optimize the molecule COC(=O)CC1CC2=C(C(=O)C=CC2=O)C(C)O1 to have a lower LogP value.,COC(=O)CC1CC2=C(C(=O)C=CC2=O)C(C)(C(=O)O)O1
MR,Optimize the molecule Cc1cccc(C)c1NC(=O)N1CC(O)C2(CC2)C1 to have a lower MR value.,CN(C)C(=O)N1CC(O)C2(CC2)C1
QED,Please optimize the molecule CCn1cc(S(=O)(=O)N2CCCC(C(=O)NC(C)c3ccnn3CC)C2)c(C)n1 to have a lower QED value.,CCn1cc(S(=O)(=O)N2CCCC(C(=O)NC(C)(O)c3ccnn3CC)C2)c(C)n1
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 fluorine atom, and 1 silicon atom.",Cc1cc(-c2cn(COCC[Si](C)(C)C)c(Cn3ccnc3C)[nH+]2)ccc1F
BondNum,"Please generate a molecule composed of 9 single bonds, 2 double bonds, 1 triple bond, 3 rotatable bonds, and 11 aromatic bonds.",Cc1cccc(C)c1NC(=O)C(C#N)=Cc1c(C)n[nH]c1C
FunctionalGroup,The molecule is composed of and 1 sulfide group.,Cc1cc2ccsc2c(C)c1CC(C)[NH3+]
AddComponent,Please add a amine to the molecule C=CC1OCCC1NC(=O)N(C)C1CCN(C)C1=O.,C=CC1(N)OCCC1NC(=O)N(C)C1CCN(C)C1=O
SubComponent,Modify the molecule CC(=O)C(Cl)C(=O)C(=O)OC(C)C by substituting a halo with a carboxyl.,CC(=O)C(C(=O)[OH])C(=O)C(=O)OC(C)C
DelComponent,Please remove a benzene ring from the molecule O=C([O-])CCCC=CCC1C(O)CC(O)C1C=CC(O)COc1ccccc1.,O=C([O-])CCCC=CCC1C(O)CC(O)C1C=CC(O)CO
LogP,Modify the molecule O=C(c1cc2ccccc2o1)N1N=C(c2ccc(F)cc2)CC1c1ccccc1Cl to have a higher LogP value.,O=C(c1cc2ccccc2o1)N1N=C(c2ccc(S)cc2)CC1c1ccccc1Cl
MR,Modify the molecule CCOCc1ccccc1CNC(=O)c1cccnc1N(C)C to increase its MR value.,CCOCc1ccccc1CNC(=O)c1cccnc1N(C)CO
QED,Modify the molecule Cc1cc(C(=O)COC(=O)c2ccc(COc3ccccc3)o2)c(C)n1CC1CCCO1 to have a higher QED value.,Cc1cc(C(=O)COC(=O)c2ccc(CO)o2)c(C)n1CC1CCCO1
AtomNum,"There is a molecule consisting of 15 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC1CC(C)CN(C(=O)C[NH+](CCC(=O)[O-])C(C)C)C1
BondNum,"The molecule has 14 single bonds, 3 double bonds, 1 rotatable bond, and 12 aromatic bonds.",O=C1c2ccccc2CN1C(=O)C1c2ccc(Br)cc2CCN1C(=O)[O-]
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, and 1 amide group.",CCCCN(CCO)C(=O)C1CCCC(C)[NH2+]1
AddComponent,Modify the molecule COC1CC(C(C)(C)OC)CC(C)=C1C by adding a benzene ring.,COC1CC(C(C)(C)OC)C(c2ccccc2)C(C)=C1C
SubComponent,Substitute a hydroxyl in the molecule CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC6(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2NC(C)=O)C1O with a nitro.,CC(=O)NC1C(NO)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC6(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2NC(C)=O)C1O
DelComponent,Modify the molecule halo by removing a Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(Cn5nc(C(F)F)c(Cl)c5C5CC5)nc34)c12.,Cc1cc(C(F)F)nc2sc3c(ncn4nc(Cn5nc(C(F)F)c(Cl)c5C5CC5)nc34)c12
LogP,Modify the molecule CC[NH2+]C1CCCN(C(CO)COC)C1=O to increase its LogP value.,CC[NH2+]C1CCCN(C(CCl)COC)C1=O
MR,Modify the molecule Cc1cccc(COC(=O)Nc2c(C)cccc2C(C)C)c1 to decrease its MR value.,Cc1cccc(COC(=O)NC(C)(C)C)c1
QED,Modify the molecule CCCCCCCCCC[NH2+]CC(C)OC to have a higher QED value.,CCCCCCCC(N)CC[NH2+]CC(C)OC
AtomNum,"The molecule has 24 carbon atoms, and 4 oxygen atoms.",COc1cc(OC)c(-c2c(Cc3ccccc3)oc3ccccc23)c(OC)c1
BondNum,"The molecule has 15 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",CC(C)(C)OC(=O)N1CCN(c2c(-c3ccccc3F)c[nH+]c3[nH]ccc23)CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, and 1 sulfoxide group.",Cc1cc(S(=O)CCCC2CCCO2)ccc1N
AddComponent,Please add a thiol to the molecule CS(=O)(=O)N1CCCC1C(=O)N1CCC(CCC(=O)[O-])C1.,CS(=O)(=O)N1CCCC1C(=O)N1CCC(CCC(=O)[O-])C1S
SubComponent,Substitute a hydroxyl in the molecule CCn1cc(OCC2(O)CCC(C(=O)[O-])CC2)cn1 with a nitrile.,CCn1cc(OCC2(C#N)CCC(C(=O)[O-])CC2)cn1
DelComponent,Remove a benzene ring from the molecule Cc1ccc(C)c(C=[N+]([O-])c2ccccc2)c1C.,CCCC=[N+]([O-])c1ccccc1
LogP,Please optimize the molecule CCC([NH3+])CC([NH3+])CCC([NH3+])CC[NH3+] to have a lower LogP value.,CCC([NH3+])C(O)C([NH3+])CCC([NH3+])CC[NH3+]
MR,Please optimize the molecule Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2C)CC1 to have a higher MR value.,Cc1cc(C(=O)Nc2ccc(NO)cc2F)ccc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2C)CC1
QED,Please optimize the molecule COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1oc2ccc(Cl)cc2c1C to have a lower QED value.,COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1oc2ccc(Cl)cc2c1Cc1ccccc1
AtomNum,"The molecule has 16 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 chlorine atom.",COc1ccc(NC(=O)Cc2c(Cl)nc3n(C)c(=O)n(C)c(=O)n23)cc1
BondNum,"The molecule contains 16 single bonds, 2 double bonds, and 4 rotatable bonds.",CC(C)CCS(=O)(=O)N1C2CCC1CC(Br)C2
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amine group, 1 halo group, and 1 sulfone group.",COc1ccc(OC)c(NS(=O)(=O)Cc2ccc(Br)cc2)c1
AddComponent,Modify the molecule C[NH2+]Cc1ccccc1OCC[NH+](C)Cc1ccncc1 by adding a amine.,C[NH2+]Cc1ccccc1OCC[NH+](C)C(N)c1ccncc1
SubComponent,Modify the molecule halo by substituting a COC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c2nc(=O)[nH]c(=O)c1-2 with a nitro.,COC(=O)c1cc(-c2ccc(NO)cc2)[nH]c2nc(=O)[nH]c(=O)c1-2
DelComponent,Remove a CS(=O)(=O)c1ccc(F)c(CCON)c1F from the molecule amine.,CS(=O)(=O)c1ccc(F)c(CCO)c1F
LogP,Optimize the molecule CC(c1ccccc1)N1CC(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1=O to have a lower LogP value.,CC(c1ccccc1)N1CC(C(=O)Nc2ccccc2Oc2ccccc2)CC1=O
MR,Modify the molecule CC(C)(C)CCSC(=O)C(C)(C)CO to have a lower MR value.,CC(C)(C)CCSC(=O)C(C)(C)C
QED,Please modify the molecule COC(=O)CNC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1 to increase its QED value.,COC(=O)CNC(=O)NC(=O)C1CC(=O)N(c2ccccc2)C1
AtomNum,"There is a molecule with 29 carbon atoms, 1 oxygen atom, and 7 nitrogen atoms.",c1ccc(Oc2cccc3[nH]nc(-c4nc5ccc(N6CCC([NH+]7CCCCC7)CC6)cc5[nH]4)c23)nc1
BondNum,"Please generate a molecule with 17 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(F)cc1C(=O)N1CCN(CCO)C2CS(=O)(=O)CC21
FunctionalGroup,There is a molecule composed of and 3 benzene ring groups.,CN(C)c1ccccc1[Ge](C)(c1ccccc1N(C)C)c1ccccc1N(C)C
AddComponent,Add a benzene ring to the molecule O=C([O-])c1cc(C2=C(c3cc(Br)cnc3OCc3ccccc3)CCC2)ccc1F.,O=C([O-])c1cc(C2=C(c3cc(Br)cnc3OCc3ccccc3)CC(c3ccccc3)C2)ccc1F
SubComponent,Modify the molecule halo by substituting a COCCCNC(=O)c1cccc(CSc2nc(Cl)cc(N3CCCC3)n2)c1 with a carboxyl.,COCCCNC(=O)c1cccc(CSc2nc(C(=O)[OH])cc(N3CCCC3)n2)c1
DelComponent,Please remove a benzene ring from the molecule CCNC(NCCCC[NH+]1CCN(C)CC1)=[NH+]Cc1ccc(C)cc1OC(C)C.,CCNC(NCCCC[NH+]1CCN(C)CC1)=[NH+]CCOC(C)C
LogP,Optimize the molecule CC(C)(CO)NC(=O)c1nc(CC(=O)Nc2ccc(F)cc2F)no1 to have a lower LogP value.,CC(C)(CO)NC(=O)c1nc(CC(=O)N(F)F)no1
MR,Modify the molecule COc1ccc(C[NH+]2CCC(CNC(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 to have a higher MR value.,NCOc1ccc(C[NH+]2CCC(CNC(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1
QED,Please optimize the molecule c1ccc(CN=C2CCSCC2)cc1 to have a higher QED value.,O=C(O)C1CSCCC1=NCc1ccccc1
AtomNum,"The molecule is composed of 13 carbon atoms, and 2 nitrogen atoms.",CCC1CCC(C[NH3+])C([NH+](CC)CC)C1
BondNum,"The molecule contains 19 single bonds, 1 triple bond, and 3 rotatable bonds.",CC1C[NH+](C2CCC(C#N)(NC3CC3)C2)CC1C
FunctionalGroup,The molecule contains and 2 amine groups.,Nc1ccc(NC2CC3CCC2O3)nn1
AddComponent,Please add a benzene ring to the molecule CC1CC[NH+](CCNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1.,CC1CC[NH+](C(CNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c2ccccc2)CC1
SubComponent,Substitute a halo in the molecule CCn1ncc(Cl)c1C(=O)c1cc(C)cc(C)c1 with a thiol.,CCn1ncc(S)c1C(=O)c1cc(C)cc(C)c1
DelComponent,Modify the molecule CC(O)C1CCC[NH+](CC(=O)N2CCC(Cc3ccccc3)CC2)C1 by removing a benzene ring.,CC1CCN(C(=O)C[NH+]2CCCC(C(C)O)C2)CC1
LogP,Please optimize the molecule N#Cc1cnc2ccccc2c1NC(=O)COC1CCCC1 to have a higher LogP value.,N#Cc1cnc2c(-c3ccccc3)cccc2c1NC(=O)COC1CCCC1
MR,Modify the molecule CSc1ccc(C(C)[NH2+]C(C)Cc2ccc(C)s2)cc1 to decrease its MR value.,CSC(C)[NH2+]C(C)Cc1ccc(C)s1
QED,Please optimize the molecule COc1cc(C(=O)[O-])n(-c2ccccc2C)n1 to have a lower QED value.,COc1cc(C(=O)[O-])n(C)n1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Cc1cccc(C)c1NC(=O)NC1(Cc2ccccc2)CCCCC1
BondNum,"There is a molecule consisting of 19 single bonds, 1 triple bond, 6 rotatable bonds, and 11 aromatic bonds.",N#Cc1cccnc1OCC1CC[NH+](Cc2noc(C3CCOCC3)n2)CC1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 1 amide group, and 1 halo group.",COc1ccc(CN2CC([Se]c3ccccc3)C(=O)N(c3cccc(Br)c3C)C2=O)cc1
AddComponent,Add a carboxyl to the molecule Cc1ccc(-c2cc3c(ccc4oc5ccccc5c43)o2)cc1.,O=C(O)Cc1ccc(-c2cc3c(ccc4oc5ccccc5c43)o2)cc1
SubComponent,Modify the molecule Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2cc(C(=O)NCC(C)C)ccc2C)CC1 by substituting a halo with a nitrile.,Cc1cc(C(=O)Nc2c(F)cccc2C#N)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2cc(C(=O)NCC(C)C)ccc2C)CC1
DelComponent,Modify the molecule amide by removing a CC(=O)N(CC(=O)N1CCCc2ccccc21)c1c(C)cccc1C(C)C.,Cc1cccc(C(C)C)c1CC(=O)N1CCCc2ccccc21
LogP,Please modify the molecule CC1(c2ccccc2)CC(C)(C)N(C(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 to decrease its LogP value.,CC1(C)CC(CN)(c2ccccc2)c2ccccc2N1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1
MR,Please modify the molecule CC(C)(C(=O)N1CCCC(C2OCCO2)C1)c1ccc(Cl)cc1 to increase its MR value.,CC(C)(C(=O)N1CCCC(C2OCCO2)C1)c1ccc(S)cc1
QED,Please optimize the molecule O=C(Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5ccc([nH]5)c(-c5ccccc5)c5nc2C=C5)[nH]4)C=C3)cc1)c1ccc(I)cc1 to have a lower QED value.,ONc1ccc(C(=O)Nc2ccc(-c3c4nc(c(-c5ccccc5)c5ccc(cc6ccc([nH]6)c(-c6ccccc6)c6nc3C=C6)[nH]5)C=C4)cc2)cc1
AtomNum,"There is a molecule with 15 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CC(C)C1CCN(c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",O=C(Cc1cccc2ccccc12)Nc1ccc(CC(=O)N2CCCC2)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amine groups, and 1 sulfide group.",Nc1nc2ccc(NCc3ccccc3)cc2s1
AddComponent,Add a benzene ring to the molecule OCCN1CC[NH2+]CC1Cc1ccc(Cl)cc1.,OC(CN1CC[NH2+]CC1Cc1ccc(Cl)cc1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a CN(CC(=O)N1CCCC1)c1c(Cl)cc(N)cc1Cl with a nitro.,CN(CC(=O)N1CCCC1)c1c(Cl)cc(N)cc1NO
DelComponent,Modify the molecule benzene ring by removing a COC1CC[NH+](CC(O)c2cccc(N)c2)C1.,COC1CC[NH+](CC(N)O)C1
LogP,Please modify the molecule CCCC1CCC(C2CCC(c3ccc(COCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc3)CC2)CC1 to decrease its LogP value.,CCCC1CCC(C2CCC(c3ccc(COCC(O)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc3)CC2)CC1
MR,Modify the molecule CCc1nc2ccc(NC(=O)COc3ccc(F)cc3)cc2s1 to have a higher MR value.,CCc1nc2ccc(NC(=O)COc3ccc(NO)cc3)cc2s1
QED,Modify the molecule COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)Nc3ccc(C)c(F)c3)ccc2C)CC1 to decrease its QED value.,CC(=O)c1cc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(C(=O)Nc4cc(C(=O)Nc5ccccc5)ccc4OC)CC3)c2)ccc1C
AtomNum,"Please generate a molecule composed of 30 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",CCCCCCCCCCCCNC(=O)CCCCCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O
BondNum,"Please generate a molecule composed of 17 single bonds, 2 double bonds, and 6 rotatable bonds.",CCN(C(=O)NC(COC)C(=O)[O-])C1CCCCC1
FunctionalGroup,"The molecule contains 1 amide group, 1 sulfide group, and 1 sulfone group.",O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc3ccccc3c1)CC2)c1ccoc1
AddComponent,Please add a carboxyl to the molecule Cn1[nH]c(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc1=O.,Cn1[nH]c(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3C(=O)O)CC2)nc1=O
SubComponent,Please substitute a CC(C)C(=O)Nc1ccnc(OCC(C)(C)CO)n1 in the molecule hydroxyl with a thiol.,CC(C)C(=O)Nc1ccnc(OCC(C)(C)CS)n1
DelComponent,Please remove a amine from the molecule CC1CCCC(C)[NH+]1CCCCCn1c(=O)c(CC2CCCC(C(N)=[NH2+])C2)nc2ccccc21.,CC1CCCC(C)[NH+]1CCCCCn1c(=O)c(CC2CCCC(CN)C2)nc2ccccc21
LogP,Please optimize the molecule COC(=O)C(=O)NCc1cc(C)c(C)s1 to have a higher LogP value.,COOCc1cc(C)c(C)s1
MR,Modify the molecule O=C(C1CC[NH+](Cc2cccc(F)c2)CC1)N1CCN(c2ccccc2)CC1 to increase its MR value.,CC(=O)c1cccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1
QED,Modify the molecule COc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccccc4F)c3C)CC2)cc1NC(=O)c1ccc(F)cc1 to decrease its QED value.,COc1cc(S)c(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccccc4F)c3C)CC2)cc1NC(=O)c1ccc(F)cc1
AtomNum,"Please generate a molecule with 11 carbon atoms, 2 oxygen atoms, and 1 bromine atom.",CC(C)(O)COCc1cccc(Br)c1
BondNum,"Please generate a molecule composed of 8 single bonds, 1 double bond, 4 rotatable bonds, and 22 aromatic bonds.",Cc1c(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)nnn1-c1ccccc1F
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 5 amide groups, and 1 halo group.",CCCNC(=O)c1ccc(Cl)c(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(NC(=O)c4ccccc4)cc3)CC2)c1
AddComponent,Modify the molecule CNS(=O)(=O)c1ccc(C=NO)o1 by adding a carboxyl.,CNS(=O)(=O)c1ccc(C(=NO)C(=O)O)o1
SubComponent,Modify the molecule halo by substituting a COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1Cl with a nitrile.,COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(C#N)c1OCc1ccc(F)cc1Cl
DelComponent,Remove a halo from the molecule CCCC(=O)N(CC1CCCO1)C1CC(C(=O)NCCO)=CC(Oc2ccccc2I)C1O.,CCCC(=O)N(CC1CCCO1)C1CC(C(=O)NCCO)=CC(Oc2ccccc2)C1O
LogP,Modify the molecule CCOc1ccc(NC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)cc1 to have a lower LogP value.,CCOc1ccc(NC(=O)c2c(N3CCCC3=O)c3cc(O)ccc3n2C)cc1
MR,Optimize the molecule COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2C)cc1 to have a lower MR value.,COc1ccc(-c2nnc(Sc3cc(Cl)ccc3Cl)n2C)cc1
QED,Please optimize the molecule CC(Cl)C1OC1C(C)Br to have a higher QED value.,CC(Br)C1OC1C(C)(Cl)c1ccccc1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC(C)[NH+](CC1CC1)CC1CCC(C(=O)[O-])O1
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",Cc1nc(C)c(C(=O)N2CCCC(NC(=O)c3cnccn3)CC2)o1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 halo group, and 1 sulfide group.",COc1cc(F)ccc1NC(=O)c1csc(C#CCO)c1
AddComponent,Add a carboxyl to the molecule CC1CCC(O)(CNC(=O)Cc2ccccc2O)CC1.,CC1CCC(O)(C(NC(=O)Cc2ccccc2O)C(=O)O)CC1
SubComponent,Please substitute a halo in the molecule ClCCCc1ncc(-c2cccc(Br)c2)o1 with a nitrile.,N#CCCCc1ncc(-c2cccc(Br)c2)o1
DelComponent,Modify the molecule CNc1ccc(C(=O)Nc2cccc(C)c2C#N)cc1 by removing a benzene ring.,CNC(=O)Nc1cccc(C)c1C#N
LogP,Modify the molecule O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(OC(F)(F)F)cc1 to have a lower LogP value.,O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(OC(F)F)cc1
MR,Please optimize the molecule C[NH+](C1CCN(Cc2ccccc2)C1)C(C)(C)C(=O)[O-] to have a higher MR value.,C[NH+](C1CN(Cc2ccccc2)CC1C(=O)O)C(C)(C)C(=O)[O-]
QED,Modify the molecule Oc1cc(N2CCCCC2)cc2c1CCN2 to increase its QED value.,Oc1cc(N2CCCCC2c2ccccc2)cc2c1CCN2
AtomNum,"There is a molecule consisting of 7 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 bromine atom.",Brc1ncc(C2CC[NH2+]C2)o1
BondNum,"There is a molecule consisting of 29 single bonds, 5 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",CNC(=O)c1ccc(C)c(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)CC2)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",Cc1ccn(CC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)n1
AddComponent,Please add a benzene ring to the molecule O=C(COC(=O)c1cccc(CSc2ccc(Cl)cc2)c1)NC(=O)NC1CC1.,O=C(COC(=O)c1cccc(CSc2ccc(Cl)cc2)c1)NC(=O)NC1(c2ccccc2)CC1
SubComponent,Please substitute a Cc1c(C2CC[NH2+]CC2)cnn1-c1ccc(O)cc1 in the molecule hydroxyl with a aldehyde.,CC(=O)c1ccc(-n2ncc(C3CC[NH2+]CC3)c2C)cc1
DelComponent,Modify the molecule halo by removing a COc1cccc(C(=O)NCc2noc(-c3c4cc(Br)ccc4nn3CCn3ccnc3)n2)c1OC.,COc1cccc(C(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)c1OC
LogP,Modify the molecule CC(C)CC1CN(C(C)C2CCOCC2)C(C(C)C)C[NH2+]1 to have a lower LogP value.,CC(CO)CC1CN(C(C)C2CCOCC2)C(C(C)C)C[NH2+]1
MR,Please modify the molecule CNS(=O)(=O)c1ccc(C(C)[NH2+]CCc2nc(C)no2)cc1 to decrease its MR value.,Cc1noc(CC[NH2+]C(C)c2ccc(S(C)(=O)=O)cc2)n1
QED,Optimize the molecule CCCOCC(=O)NC1C(C)(C)C1(C)C to have a lower QED value.,CCCOC1C(C)(C)C1(C)C
AtomNum,"Please generate a molecule with 20 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",COc1ccc(CNc2cc(Nc3cccc(Cl)c3C)ncn2)cc1OC
BondNum,"Please generate a molecule composed of 36 single bonds, 2 double bonds, 24 rotatable bonds, and 12 aromatic bonds.",CCCCCCCC[NH+](CCCCCCCC)CC1OC(c2ccc(CNC(=O)CCC(=O)[O-])cc2)OC(c2ccc(CO)cc2)C1C
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 halo group.",CCC([NH2+]C(C)CC[NH+](C)C)c1ccc(F)cc1
AddComponent,Please add a amine to the molecule CC1[NH2+]C(c2ccsc2)N(C2CC[NH+](C)CC2C)C1=O.,CC1[NH2+]C(c2ccsc2)N(C2CC[NH+](C)CC2CN)C1=O
SubComponent,Substitute a hydroxyl in the molecule OC1(C(F)F)CCC[NH2+]CC1 with a carboxyl.,O=C([OH])C1(C(F)F)CCC[NH2+]CC1
DelComponent,Please remove a halo from the molecule Nc1cnc(CBr)c(C(F)F)c1C(F)(F)F.,Nc1cnc(CBr)c(CF)c1C(F)(F)F
LogP,Please optimize the molecule Cc1ccc(C(=O)C(C)OC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 to have a lower LogP value.,CC(=O)C(C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2
MR,Modify the molecule Cc1nsc(N2CCCN(C(=O)NC(C)C3CCC[NH2+]C3)CC2)n1 to increase its MR value.,Cc1nsc(N2CCCN(C(=O)NC(C)C3CCC[NH2+]C3)CC2N)n1
QED,Modify the molecule NC(=O)C1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1 to decrease its QED value.,NC(=O)C1CCN(C(=O)c2cc(NC(=O)c3cccs3)c(Cl)cc2-c2ccccc2)CC1
AtomNum,"There is a molecule with 16 carbon atoms, 5 oxygen atoms, and 5 nitrogen atoms.",CCC(C)(CC)CC1OC(n2c(=O)[nH]c3c(=O)nc(N)[nH]c32)C(O)C1O
BondNum,"The molecule consists of 23 single bonds, 3 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",Cc1noc(C)c1-c1ccc(NC2CCS(=O)(=O)CC2)c(NC(=O)C(C)Cc2ccc(OC(F)(F)F)c(F)c2)c1
FunctionalGroup,"The molecule consists of 1 amide group, and 4 halo groups.",O=C1c2ccc(Cl)cc2CCN1c1cncc(COCC(F)(F)F)c1
AddComponent,Modify the molecule CCC(C)N(Cc1cccc(OS(C)(=O)=O)c1)C(=O)N(C)C by adding a carboxyl.,CCC(C)N(C(=O)N(C)C)C(C(=O)O)c1cccc(OS(C)(=O)=O)c1
SubComponent,Please substitute a halo in the molecule Cc1nc(C)n(-c2cc(C[NH3+])c(Cl)cn2)n1 with a nitrile.,Cc1nc(C)n(-c2cc(C[NH3+])c(C#N)cn2)n1
DelComponent,Modify the molecule amine by removing a COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)c(C3CC3)cnc2cc1OCCC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.,COc1cc2c(-c3ccc(NC(=O)c4ccccc4)cc3)c(C3CC3)cnc2cc1OCCC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1
LogP,Modify the molecule Cc1ccc(C(=O)C(=O)[O-])c(S(C)(=O)=O)c1 to decrease its LogP value.,Cc1ccc(C(=O)C(=O)[O-])c(S(C)(=O)=O)c1C(=O)O
MR,Please modify the molecule CCN(C)C(=O)c1cc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)ccc1F to increase its MR value.,CC1COCCN1c1nc(N2CCOCC2C)c2ccc(-c3ccc(F)c(C(=O)N(C)CCO)c3)nc2n1
QED,Optimize the molecule Cc1nc(C2CCCN(C(=O)NC3CSC3(C)C)C2)n[nH]1 to have a lower QED value.,Cc1nc(C2CCCN(C(=O)NC3CSC3(C)CC(=O)O)C2)n[nH]1
AtomNum,"The molecule is composed of 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1cc(OS(=O)(=O)c2ccc(F)cc2)n(CCOc2ccccc2)n1
BondNum,"The molecule is composed of 18 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",CCOC1(c2noc(C3CCC([NH3+])CC3)n2)CCCCC1
FunctionalGroup,"Please generate a molecule composed of 1 amide group, and 1 halo group.",COCC(NC(=O)c1cc2cc(F)ccc2o1)C1CC1
AddComponent,Please add a benzene ring to the molecule C=CC(=O)N(C)c1cccc(C)n1.,Cc1cccc(N(C)C(=O)C=Cc2ccccc2)n1
SubComponent,Please substitute a halo in the molecule CCCc1c(OCCCn2ccc3cc(CC#N)ccc32)ccc2c(C(F)(F)F)noc12 with a thiol.,CCCc1c(OCCCn2ccc3cc(CC#N)ccc32)ccc2c(C(F)(F)S)noc12
DelComponent,Modify the molecule amine by removing a CC(C)(C)S(=O)(=O)c1ccc(NCC2CCC[NH+](Cc3cccs3)C2)cn1.,CC(C)(C)S(=O)(=O)c1ccc(CC2CCC[NH+](Cc3cccs3)C2)cn1
LogP,Please modify the molecule CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)c1cccnc1Cl to decrease its LogP value.,CN(C1CCC(O)CC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)c1cccnc1Cl
MR,Please optimize the molecule COC(=O)CCN1NC1c1cccc([N+](=O)[O-])c1 to have a higher MR value.,COC(=O)CCN1NC1c1cc([N+](=O)[O-])ccc1O
QED,Please modify the molecule COc1ccccc1N1CC(CC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)OC1=O to decrease its QED value.,COc1ccccc1N1CC(CC[NH+]2CCC3(CC2)NCNC3=O)OC1=O
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Cc1cccc(C2[NH2+]CC(=O)N2C2CCCCC2C)c1
BondNum,"The molecule consists of 4 single bonds, 2 rotatable bonds, and 15 aromatic bonds.",Nc1nc2cc(Br)cnc2n1Cc1ccsc1
FunctionalGroup,Please generate a molecule with and 2 halo groups.,Cn1cc(I)c(F)n1
AddComponent,Modify the molecule Cc1ccc(NC(=O)CCNc2ccccc2C(C)C)cc1C by adding a benzene ring.,Cc1ccc(NC(=O)CCNc2ccccc2C(C)Cc2ccccc2)cc1C
SubComponent,Please substitute a CC1CCCC(CCNc2nc3c(Br)cccn3n2)C1 in the molecule halo with a carboxyl.,CC1CCCC(CCNc2nc3c(C(=O)[OH])cccn3n2)C1
DelComponent,Please remove a COc1ccc(NC(=O)Cn2ccsc2=O)c(N)c1 from the molecule amide.,COc1ccc(-n2ccsc2=O)c(N)c1
LogP,Optimize the molecule [NH3+]C(O)CCc1cccc(C#CC2CCCCC2O)c1 to have a higher LogP value.,[NH3+]C(O)(CCc1cccc(C#CC2CCCCC2O)c1)c1ccccc1
MR,Please optimize the molecule COc1ccc2[nH]c3c(c2c1)CC(NS(=O)(=O)c1c(C)n[nH]c1C)CC3 to have a lower MR value.,COc1ccc2[nH]c3c(c2c1)CC(S(=O)(=O)c1c(C)n[nH]c1C)CC3
QED,Optimize the molecule CC1(C)C=C(c2ccc(-c3ccc(C4CC(C)(C)[NH+](Cc5ccccc5)C(C)(C)C4)c(F)c3)cc2)CC(C)(C)[NH+]1Cc1ccccc1 to have a lower QED value.,CC1(C)C=C(c2ccc(-c3ccc(C4CC(C)(C)[NH+](Cc5ccccc5)C(C)(C)C4)c(F)c3O)cc2)CC(C)(C)[NH+]1Cc1ccccc1
AtomNum,"The molecule has 16 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(=O)Nc1cccc(C(C)NC(=O)C2C[NH2+]CC2C)c1
BondNum,"Please generate a molecule composed of 12 single bonds, 7 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CNC(=O)C1=NN(c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])C(=O)C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, and 3 halo groups.",COCc1nc(Nc2ccc(C(F)(F)F)c(C)c2)c2ccc(-c3ncccc3C)nc2n1
AddComponent,Modify the molecule C=C(C)CC(=O)C1C[NH+](CCC)CCO1 by adding a benzene ring.,C=C(C)CC(=O)C1(c2ccccc2)C[NH+](CCC)CCO1
SubComponent,Substitute a hydroxyl in the molecule CC(C)=CC(C)(C)CCCCC=CCCC=CC(O)C([NH3+])COC1OC(CO)C(O)C(O)C1O with a nitrile.,CC(C)=CC(C)(C)CCCCC=CCCC=CC(C#N)C([NH3+])COC1OC(CO)C(O)C(O)C1O
DelComponent,Remove a COCCC1(CNc2ccc(C(=O)[O-])cc2Br)CC1 from the molecule amine.,COCCC1(Cc2ccc(C(=O)[O-])cc2Br)CC1
LogP,Please modify the molecule Cc1nc(Br)ccc1NC(=O)C(C[NH3+])CC(C)C to decrease its LogP value.,CC(=O)c1ccc(NC(=O)C(C[NH3+])CC(C)C)c(C)n1
MR,Please optimize the molecule COCC1CC(CN(C)C(=O)c2ccccc2-n2cccn2)NN1 to have a lower MR value.,COCC1CC(CN(C)C(=O)n2cccn2)NN1
QED,Modify the molecule OC1CON(CC[NH+]2CCCC2)C1 to have a higher QED value.,C1CON(CC[NH+]2CCCC2)C1
AtomNum,"The molecule is composed of 13 carbon atoms, 1 nitrogen atom, 1 sulfur atom, 4 fluorine atoms, and 1 bromine atom.",[NH3+]C(Cc1sccc1Br)c1cc(F)ccc1C(F)(F)F
BondNum,"Please generate a molecule composed of 9 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",[NH3+]C1c2ccccc2CCC1Cc1sccc1Br
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, and 3 halo groups.",OC(c1c(F)ccc(Br)c1F)C1CCOc2ccccc21
AddComponent,Modify the molecule CCCCOc1ccc(C(=NNC(=O)c2ccncc2)C(=O)[O-])cc1 by adding a benzene ring.,CCCCOc1ccc(C(=NNC(=O)c2ccnc(-c3ccccc3)c2)C(=O)[O-])cc1
SubComponent,Substitute a hydroxyl in the molecule COCC(O)CC[NH2+]CC(O)c1ccc(OC)cc1 with a nitro.,COCC(CC[NH2+]CC(O)c1ccc(OC)cc1)NO
DelComponent,Please remove a halo from the molecule Cc1nc(Nc2ccc(F)cc2)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1.,Cc1nc(Nc2ccc(F)cc2)cc(C(=O)Nc2cccc(Cl)c2)n1
LogP,Optimize the molecule COCOC(=O)C1CC2CC1C(C1C3CC(C(C(=O)OCC4CC5CCC4C5)C3C(=O)[O-])C1C1C(=O)OC(=O)C1C)C2C1C(C)C2CC(C(O)CC(=O)OC(C)(C)C)C1C2 to have a lower LogP value.,COCOC(=O)C1CC2CC1C(O)(C1C3CC(C(C(=O)OCC4CC5CCC4C5)C3C(=O)[O-])C1C1C(=O)OC(=O)C1C)C2C1C(C)C2CC(C(O)CC(=O)OC(C)(C)C)C1C2
MR,Optimize the molecule Cc1ccccc1C1CCN(c2ncc(S(N)(=O)=O)s2)CC1 to have a lower MR value.,Cc1ccccc1C1CCN(c2ncc([SH](=O)=O)s2)CC1
QED,Optimize the molecule O=C(C1CCCC1)N1CC2(C1)C(c1ccccc1)C(CO)N2CCC(F)(F)F to have a lower QED value.,CC1C(c2ccccc2)C2(CN(C(=O)C3CCCC3)C2)N1CCC(F)(F)F
AtomNum,"Please generate a molecule with 15 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 fluorine atom, and 1 bromine atom.",Cc1ccc(C(=O)Nc2ccc(F)c(Br)c2)c(C)c1
BondNum,"There is a molecule with 10 single bonds, 2 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",O=C(Cn1cnc(-c2ccccc2F)cc1=O)Nc1ccc(C(F)(F)F)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 1 halo group.",NC(=O)c1ccc(F)c(C[NH2+]CC2(C3CC3)CC2)c1
AddComponent,Please add a carboxyl to the molecule CC(OCC(F)(F)F)C(=O)NC(CO)CC(C)(C)C.,CC(OCC(F)(F)F)C(=O)NC(CC(C)(C)C)C(O)C(=O)O
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ccc(-c2sc(NC(=O)CC3CC[NH2+]CC3)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1 with a nitro.,Cc1ccc(-c2sc(NC(=O)CC3CC[NH2+]CC3)nc2C)cc1S(=O)(=O)Nc1ccc(NO)cc1
DelComponent,Remove a halo from the molecule CCOc1cc(C=NNC(=O)C(NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)cc(Br)c1O.,CCOc1cc(C=NNC(=O)C(NC(=O)c2cccc(Cl)c2)C(C)C)cc(Br)c1O
LogP,Modify the molecule Fc1ccc(C#Cc2ccc(OC3C[NH+]4CCC3CC4)nn2)c(F)c1 to decrease its LogP value.,Fc1ccccc1C#Cc1ccc(OC2C[NH+]3CCC2CC3)nn1
MR,Optimize the molecule N#Cc1cc(C2(CNC(=O)[O-])CCOCC2)c[nH]1 to have a higher MR value.,N#Cc1[nH]cc(C2(CNC(=O)[O-])CCOCC2)c1-c1ccccc1
QED,Please modify the molecule CC(C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(c2ccccc2)CC1 to increase its QED value.,CC(C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCCCC1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",COc1cccc(F)c1-c1ccc(C#N)c(=O)[nH]1
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, 7 rotatable bonds, and 16 aromatic bonds.",Cc1nc(-c2cccc(C(=O)N(CCCO)Cc3cccs3)c2)sc1C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 3 halo groups, and 1 sulfide group.",Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2csc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)CC1
AddComponent,Modify the molecule CN(c1cccc(Br)c1)C1CCCCC1[NH3+] by adding a hydroxyl.,CN(c1ccc(O)c(Br)c1)C1CCCCC1[NH3+]
SubComponent,Modify the molecule nitrile by substituting a CS(=O)(=O)c1ccc(-c2cccc(C#N)c2)cc1 with a hydroxyl.,CS(=O)(=O)c1ccc(-c2cccc(O)c2)cc1
DelComponent,Modify the molecule hydroxyl by removing a COP(=O)(OCCSC1CC(=O)N(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c2)C1=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O.,COP(=O)(OCCSC1CC(=O)N(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c2)C1=O)OCC1CCC(n2cc(C)c(=O)[nH]c2=O)O1
LogP,Please modify the molecule CCCCCC(F)COc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 to increase its LogP value.,CCCCCCCOc1ccc(-c2ccc(C(=O)[O-])cc2)cc1
MR,Modify the molecule CCC1CC[NH2+]C(C(=O)NCC2CC(O)C2)C1 to increase its MR value.,CCC1CC[NH2+]C(C(=O)NCC2CC(C(=O)[OH])C2)C1
QED,Please modify the molecule COC1(CNC(=O)CCC2CCCC([NH3+])C2)CCOC1 to decrease its QED value.,COC1(CNC(=O)CCC2CCC(O)C([NH3+])C2)CCOC1
AtomNum,"Please generate a molecule with 21 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCCn1nc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c2ccccc2c1=O
BondNum,"The molecule contains 9 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",FC(F)(F)c1cc(Br)ccc1NCCc1cnc[nH]1
FunctionalGroup,"There is a molecule consisting of 2 halo groups, and 1 sulfide group.",COc1sc2cccc(CBr)c2c1Br
AddComponent,Modify the molecule O=C([O-])C1Cn2c(n[nH]c2=O)C[NH+]1CC1CCC1 by adding a benzene ring.,O=C([O-])C1C(c2ccccc2)n2c(n[nH]c2=O)C[NH+]1CC1CCC1
SubComponent,Please substitute a nitrile in the molecule N#Cc1cnc(SCc2ccc(Cl)cc2)cn1 with a carboxyl.,O=C([OH])c1cnc(SCc2ccc(Cl)cc2)cn1
DelComponent,Modify the molecule O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccc(-c2ccccc2)cc1 by removing a halo.,O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-c2ccccc2)cc1
LogP,Modify the molecule Cc1nc(C(CC(C)C)NC(=O)CCCc2cccnc2)sc1C to have a higher LogP value.,Cc1nc(C(CCc2cccnc2)CC(C)C)sc1C
MR,Please modify the molecule CNc1sc(S(=O)(=O)N2CCOC(CO)C2)cc1[N+](=O)[O-] to increase its MR value.,CNc1sc(S(=O)(=O)N2CCOC(CC(=O)[OH])C2)cc1[N+](=O)[O-]
QED,Please optimize the molecule CCN(c1cc(Cl)cc(C(=O)NCC(C(C)=NC)=C([NH3+])OC)c1C)C1CC[NH+](CCOC)CC1 to have a lower QED value.,CCN(c1cc(O)cc(C(=O)NCC(C(C)=NC)=C([NH3+])OC)c1C)C1CC[NH+](CCOC)CC1
AtomNum,"Please generate a molecule with 21 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CCOCCCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccccc2c1=O
BondNum,"The molecule consists of 10 single bonds, 7 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",O=C(CNC(=O)c1cccc(Cl)c1)N=NC=C1C=c2ccccc2=NC1=O
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ester group, 1 amide group, and 1 sulfoxide group.",CS(=O)Cc1cccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1
AddComponent,Please add a amine to the molecule Cc1c(C[NH+]2CCCC2c2cncc(C[NH+]3CCCC3)n2)cnn1C.,Cc1c(C(N)[NH+]2CCCC2c2cncc(C[NH+]3CCCC3)n2)cnn1C
SubComponent,Please substitute a hydroxyl in the molecule CCOC(CCO)C(OC(=O)Nc1ccccc1)c1ccccc1OCCO with a halo.,CCOC(CCBr)C(OC(=O)Nc1ccccc1)c1ccccc1OCCO
DelComponent,Modify the molecule O=C(NCCC(O)c1ccccc1)c1ccc(N2CCCCC2)cc1 by removing a hydroxyl.,O=C(NCCCc1ccccc1)c1ccc(N2CCCCC2)cc1
LogP,Please modify the molecule COCC(=O)NCCCc1nc2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1 to decrease its LogP value.,COCC(=O)NCCCc1nc2ccccc2n1CCCCOC(C)(C)C
MR,Modify the molecule CCC(C#N)NCC(O)CC(C)(C)C to have a lower MR value.,CCC(C#N)CC(O)CC(C)(C)C
QED,Modify the molecule CCOc1ccc(Nc2cc(NC3CC[NH2+]CC3)nn3ccnc23)cc1 to have a higher QED value.,CCONc1cc(NC2CC[NH2+]CC2)nn2ccnc12
AtomNum,"The molecule is composed of 14 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",[NH3+]CCN1CCN(C(=S)NCc2ccccc2)CC1
BondNum,"Please generate a molecule consisting 8 single bonds, 1 rotatable bond, and 6 aromatic bonds.",OC1C[NH2+]C(c2ccccc2Cl)C1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 nitro group.",CCCCCCCC[NH+](CCCCC)CCCCCc1ccc([N+](=O)[O-])cc1
AddComponent,Add a benzene ring to the molecule CCOC(=O)c1cc(NC(=S)C(CC(C)=O)Cc2cccnc2)c[nH]1.,CCOC(=O)c1cc(NC(=S)C(CC(C)=O)Cc2cncc(-c3ccccc3)c2)c[nH]1
SubComponent,Please substitute a halo in the molecule CNC(=O)CNS(=O)(=O)c1cc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)ccc1F with a nitrile.,CNC(=O)CNS(=O)(=O)c1cc(Cc2c(C)c3cc(C#N)c(OC(=O)N(C)C)cc3oc2=O)ccc1F
DelComponent,Please remove a amine from the molecule COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(Cc1ccc(F)c(OCC(=O)OC)c1)C(=O)NCC[NH+]1CCCCC1.,COCCc1nc2cnc3ccccc3c2n1CCCCN(Cc1ccc(F)c(OCC(=O)OC)c1)C(=O)NCC[NH+]1CCCCC1
LogP,Modify the molecule Cc1ccc(-n2c(=O)c(N)c(C)n2C(C)C)cc1 to have a lower LogP value.,Cc1ccc(-n2c(=O)c(N)c(C)n2C(C)C)c(C#N)c1
MR,Please modify the molecule C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OC)nnc1-c1ccc(OCCCC)cc1 to decrease its MR value.,C=CCn1c(OCCCC)nnc1SCC(=O)Nc1sc(C)c(C)c1C(=O)OC
QED,Optimize the molecule CC(C)OC(=O)C(C)NP(=O)(OCC1(C(F)F)OC(n2cnc3c(N)ncnc32)C(O)C1(F)F)Oc1ccccc1 to have a higher QED value.,CC(C)OC(=O)C(C)P(=O)(OCC1(C(F)F)OC(n2cnc3c(N)ncnc32)C(O)C1(F)F)Oc1ccccc1
AtomNum,"There is a molecule with 19 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",C=CCNC(=O)c1cccc(C(=O)Nc2ccccc2OCC)c1
BondNum,"Please generate a molecule with 7 single bonds, 1 rotatable bond, and 12 aromatic bonds.",Cc1cc(F)c(-c2c(F)ccc(Br)c2F)cc1N
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 hydroxyl group, 1 amine group, 3 halo groups, and 1 sulfide group.",OC(CNc1c(F)cc(Br)cc1F)COCc1cccs1
AddComponent,Add a benzene ring to the molecule O=C(OCCN1C(=O)c2ccccc2C1=O)C1CCC[NH+](Cc2ccccc2)C1.,O=C(OCCN1C(=O)c2ccccc2C1=O)C1CCC[NH+](Cc2ccc(-c3ccccc3)cc2)C1
SubComponent,Substitute a COC(=O)c1ccccc1NC=C(C#N)C(=O)Nc1ccc(N)cc1 in the molecule nitrile with a hydroxyl.,COC(=O)c1ccccc1NC=C(O)C(=O)Nc1ccc(N)cc1
DelComponent,Remove a halo from the molecule Cc1cc(F)ccc1CC1(O)CCC(C)C1.,Cc1ccccc1CC1(O)CCC(C)C1
LogP,Please optimize the molecule O=CC1(C[NH+]2CCc3ccccc3CC2)CCOCC1 to have a lower LogP value.,O=C(O)C1(C[NH+]2CCc3ccccc3CC2)CCOCC1
MR,Optimize the molecule CCCn1ccnc1C1(F)CC[NH2+]CC1 to have a higher MR value.,CCCn1ccnc1C1(S)CC[NH2+]CC1
QED,Please modify the molecule CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccccn3)o2)c(C#N)c1C to increase its QED value.,CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccccn3)o2)cc1C
AtomNum,"The molecule contains 16 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C(CC1SC(=O)N(c2ccccc2)C1=O)N1CCCCC1
BondNum,"The molecule is composed of 13 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC1c2cc(OCc3ccccc3)ccc2OC1C(C)(O)CO
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ester group, 1 nitro group, and 7 halo groups.",CCP(=O)(OCC(=O)OCC(F)(F)F)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
AddComponent,Add a benzene ring to the molecule Cc1ccc(C(C(=O)[O-])[NH+]2CCCCCC2)c(C)c1.,Cc1cc(C)c(C(C(=O)[O-])[NH+]2CCCCCC2)c(-c2ccccc2)c1
SubComponent,Modify the molecule hydroxyl by substituting a C=C(C)C1CCC2(C)C(CCC3C(C(C)(O)CCC=C(C)C)CCC32C)C1(C)CCC(=O)[O-] with a nitro.,C=C(C)C1CCC2(C)C(CCC3C(C(C)(CCC=C(C)C)NO)CCC32C)C1(C)CCC(=O)[O-]
DelComponent,Modify the molecule amine by removing a O=C([O-])CCC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1.,O=C([O-])CCC(=O)c1ccc(Cl)c(S(=O)(=O)Cc2ccccc2)c1
LogP,Please modify the molecule CCN(C)C=[NH+]c1cc(Br)c(OC2CCCC(Oc3ccccc3)C2)nc1C to decrease its LogP value.,CCN(C)C=[NH+]c1cc(O)c(OC2CCCC(Oc3ccccc3)C2)nc1C
MR,Optimize the molecule CCc1nsc(NCC2CCCCC2[NH3+])n1 to have a higher MR value.,CCc1nsc(NC(c2ccccc2)C2CCCCC2[NH3+])n1
QED,Please modify the molecule CCN(CCO)C(=O)c1c[nH+]ccc1NC to decrease its QED value.,CCC(CO)c1(NC)cc[nH+]c-1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COCCCNC(=O)c1cccn(Cc2cc(C)ccc2C)c1=O
BondNum,"Please generate a molecule with 15 single bonds, 2 double bonds, 2 rotatable bonds, and 5 aromatic bonds.",O=C(C1CCCCS1)N1CCC(c2n[nH]c(=O)o2)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 1 halo group.",COCCN(Cc1ccccc1F)C(=O)C1CCC[NH+]1C
AddComponent,Add a hydroxyl to the molecule CSc1ccc2cc(CSc3nc(C)cs3)c(Cl)nc2c1.,CSc1ccc2c(O)c(CSc3nc(C)cs3)c(Cl)nc2c1
SubComponent,Modify the molecule COCCN(CCOC)C(=O)c1sccc1Br by substituting a halo with a nitro.,COCCN(CCOC)C(=O)c1sccc1NO
DelComponent,Modify the molecule amine by removing a CC(C)NP(C(C)C)N(C(C)C)C(C)C.,CC(C)N(C(C)C)P(C(C)C)C(C)C
LogP,Please modify the molecule CCCN1C(=S)N(c2ccccc2)C(=O)C1(O)c1cccc(OC)c1 to increase its LogP value.,CCCN1C(=S)N(c2ccccc2)C(=O)C1c1cccc(OC)c1
MR,Optimize the molecule CCn1ccnc1Nc1ccc(C(=O)[O-])cc1Cl to have a higher MR value.,CCn1ccnc1Nc1ccc(C(=O)[O-])cc1C(=O)[OH]
QED,Please modify the molecule CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)C2c2ccccc2C(=O)[O-])c1 to decrease its QED value.,CCCCOc1cccc(C2=C(O)C(=O)N(c3cccc(S)c3)C2c2ccccc2C(=O)[O-])c1
AtomNum,"The molecule contains 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(C)(C)CC[NH2+]C1CCCN(C(=O)OC(C)(C)C)C1
BondNum,"The molecule has 16 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",O=C(CSc1nnc(-c2ccc(F)cc2)n1CC1CCCO1)Nc1cc(F)ccc1F
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 1 amine group.",Cc1cc(N)cc(C(=O)N2CCC(CCO)C2)c1
AddComponent,Modify the molecule CC1(C)CSC(=NCC[NH+]2CCCC2)N1 by adding a hydroxyl.,CC1(CO)CSC(=NCC[NH+]2CCCC2)N1
SubComponent,Please substitute a nitrile in the molecule N#CCCN(Cc1ccccc1Cl)C(=S)Nc1cccnc1 with a carboxyl.,O=C([OH])CCN(Cc1ccccc1Cl)C(=S)Nc1cccnc1
DelComponent,Please remove a O=c1[nH]cc(I)c(OC(F)(F)F)c1CO from the molecule hydroxyl.,Cc1c(OC(F)(F)F)c(I)c[nH]c1=O
LogP,Optimize the molecule CC(C)Nc1cccc(CNC(=O)N2CCCC2CO)c1 to have a higher LogP value.,CC(C)Nc1cccc(CNC(=O)N2CCCC2C)c1
MR,Optimize the molecule Cc1ccc(F)c2oc(C[NH3+])c(CC(C)C)c12 to have a higher MR value.,Cc1ccc(C#N)c2oc(C[NH3+])c(CC(C)C)c12
QED,Please optimize the molecule CCOC(=O)C1CCN(C(=O)NCC2CCN(CC(F)(F)F)C2)CC1 to have a lower QED value.,CCOC(=O)C1CCN(C(=O)NCC2CCN(CC(F)F)C2)CC1
AtomNum,"The molecule contains 13 carbon atoms, 3 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",NNC(Cc1ccccc1F)c1ncccc1Br
BondNum,"Please generate a molecule with 18 single bonds, 2 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",Cc1ccc2nc(C(=O)NCC(C)C)nc(NC3CCCCC3N=CN[NH3+])c2c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 1 halo group.",CC(C)c1[nH+]ccn1Cc1ccc(C(N)=O)cc1F
AddComponent,Modify the molecule O=S(=O)(Cl)CC1=CCCCO1 by adding a hydroxyl.,O=S(=O)(Cl)CC1=C(O)CCCO1
SubComponent,Please substitute a hydroxyl in the molecule O=C(Nc1ccc2[nH]ncc2c1)C1(O)CCSC1 with a aldehyde.,CC(=O)C1(C(=O)Nc2ccc3[nH]ncc3c2)CCSC1
DelComponent,Remove a benzene ring from the molecule COc1ccccc1OCCOCC1([NH3+])CCCC1.,COOCCOCC1([NH3+])CCCC1
LogP,Please optimize the molecule Nc1ccn2cc(C3CC3)cc2c1 to have a higher LogP value.,c1ccn2cc(C3CC3)cc2c1
MR,Modify the molecule O=C(c1ccccc1)c1cccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)c1 to increase its MR value.,O=C(c1ccccc1)c1cccc(NC(=O)c2sc(S)nc2-c2ccccc2)c1
QED,Modify the molecule N#Cc1ccc(NC(=O)COc2cccc(N)c2)c(F)c1 to decrease its QED value.,Nc1cccc(OCC(=O)Nc2ccccc2F)c1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",O=c1c([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)nc2sccn12
BondNum,"The molecule contains 14 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",C[NH+](C)C(CNC(=O)c1cccnc1N1CCCC1)c1cccs1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 6 halo groups.",CC(C)(C)OC(=O)NCC(=O)n1ccc2cc(C=CC(c3cc(Cl)c(F)c(Cl)c3)C(F)(F)F)ccc21
AddComponent,Modify the molecule CC(N)(C[NH2+]CCc1nccs1)c1ccccc1 by adding a carboxyl.,CC(N)(C[NH2+]CCc1ncc(C(=O)O)s1)c1ccccc1
SubComponent,Substitute a Cc1cc(OCc2ccc(N)nc2)ccc1Cl in the molecule halo with a aldehyde.,CC(=O)c1ccc(OCc2ccc(N)nc2)cc1C
DelComponent,Please remove a benzene ring from the molecule COC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1C.,COC(=O)C(=O)CC(=O)c1ccc(OC)cc1C
LogP,Optimize the molecule Cc1ccc(CNc2cc(N)ccc2C)s1 to have a lower LogP value.,Cc1ccc(CN(C)N)s1
MR,Please optimize the molecule OC1CCOC2(CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C1 to have a higher MR value.,OC1CCOC2(CC[NH+](Cc3cc4[nH]ccc4cc3-c3ccccc3)CC2)C1
QED,Modify the molecule CC(=O)NC1C2C=CC3C=CC1C32 to have a lower QED value.,C1=CC2CC3C=CC1C23
AtomNum,"The molecule has 29 carbon atoms, 1 oxygen atom, 7 nitrogen atoms, and 1 fluorine atom.",CC1(C)CN(CC[NH+]2CCOCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3CF)C4)ccc21
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)([NH3+])CC(=O)Nc1c(F)c(F)c(F)c(F)c1F
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 ketone group.",CC(C)c1ccc(C(=O)C=Cc2ccn(C)n2)cc1
AddComponent,Modify the molecule COCC([NH3+])CN(C)C(=O)Cc1ccccc1F by adding a benzene ring.,COCC([NH3+])CN(C)C(=O)Cc1ccc(-c2ccccc2)cc1F
SubComponent,Please substitute a hydroxyl in the molecule CCNC(NCC(C)(O)c1ccsc1)=[NH+]Cc1ncc(-c2ccccc2)[nH]1 with a halo.,CCNC(NCC(C)(I)c1ccsc1)=[NH+]Cc1ncc(-c2ccccc2)[nH]1
DelComponent,Please remove a COC(=O)c1cc(Br)ccc1NC(=O)Nc1ccc(Cl)cc1 from the molecule halo.,COC(=O)c1cc(Br)ccc1NC(=O)Nc1ccccc1
LogP,Please optimize the molecule CCOc1cc2c(nc1C(=O)NC)C(=[NH2+])N(CC(=O)c1cc(NCC#N)c(OC)c(C(C)(C)C)c1)C2 to have a lower LogP value.,CCOc1cc2c(nc1C(=O)NC)C(=[NH2+])N(CC(=O)c1cc(NCNO)c(OC)c(C(C)(C)C)c1)C2
MR,Please optimize the molecule CC[NH+](Cc1n[nH]c(C)n1)Cc1c(F)cccc1Cl to have a higher MR value.,CC[NH+](Cc1n[nH]c(C)n1)Cc1c(O)cccc1Cl
QED,Modify the molecule COC1=CC(=O)N(C(=O)C(OC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(C(C)C)[NH+](C)C(O)C(NC(=O)C(C(C)C)[NH+](C)C)C(C)C)C(C)C)C1Cc1ccccc1 to have a lower QED value.,COC1=CC(=O)N(C(=O)C(OC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(C(C)C)[NH+](C)C(NO)C(NC(=O)C(C(C)C)[NH+](C)C)C(C)C)C(C)C)C1Cc1ccccc1
AtomNum,"The molecule contains 7 carbon atoms, and 9 fluorine atoms.",CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)=CF
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)N1CCN(C(=O)c2ccc(C)cc2Br)CC1
FunctionalGroup,The molecule contains and 1 aldehyde group.,Cc1ccc2ccoc2c1C=O
AddComponent,Add a hydroxyl to the molecule Cc1ccn(-c2[nH]c(CC(=O)[O-])c[nH+]2)n1.,O=C([O-])Cc1c[nH+]c(-n2ccc(CO)n2)[nH]1
SubComponent,Modify the molecule halo by substituting a C[NH+]=C1SC(=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(=O)N1C with a thiol.,C[NH+]=C1SC(=Cc2cc(C)n(-c3ccc(S)cc3Cl)c2C)C(=O)N1C
DelComponent,Modify the molecule halo by removing a CC1(C)CCNC(=O)N1c1ccc(I)cn1.,CC1(C)CCNC(=O)N1c1ccccn1
LogP,Please modify the molecule CCCCCCOCCOCCOC(=O)NNC(=O)c1noc(C)c1-c1csc(C)n1 to increase its LogP value.,CCCCCCOCCOCCOC(=O)Nn1oc(C)c-1-c1csc(C)n1
MR,Modify the molecule CC(OC(=O)C=Cc1cccc2cccnc12)C(=O)Nc1cccc(F)c1 to have a lower MR value.,CC(OC(=O)C=Cc1cccc2cccnc12)C(=O)NF
QED,Modify the molecule Cc1nc2c(n1CC(F)(F)F)NCCC2 to have a higher QED value.,Cc1nc2c(n1CC(F)(F)C(=O)[OH])NCCC2
AtomNum,"The molecule has 21 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",COc1ccc(-n2ccc(CNC(=O)c3oc4ccc(Br)cc4c3C)n2)cc1
BondNum,"The molecule contains 14 single bonds, 4 double bonds, and 1 rotatable bond.",CC=CC1OC2=C(C(=O)CC(C)O2)C(=O)C1O
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 2 halo groups, and 1 sulfone group.",CNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc3c(F)c(Cl)ccc3n2C)cc1
AddComponent,Please add a nitrile to the molecule CC(C)[NH2+]CC(Cc1ccn(C)n1)c1ccccc1.,CC(C)[NH2+]CC(Cc1nn(C)cc1C#N)c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule Cc1ccccc1N1C(CO)C[NH2+]CCC1(C)C with a nitrile.,Cc1ccccc1N1C(CC#N)C[NH2+]CCC1(C)C
DelComponent,Modify the molecule O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1csc(C2CC2)n1 by removing a benzene ring.,O=C(NC1CCN(C(=O)F)CC1)c1csc(C2CC2)n1
LogP,Optimize the molecule CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCCC2 to have a higher LogP value.,CC(C)CN(C1CCS(=O)(=O)C1c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCC2
MR,Modify the molecule CCOC(=O)C1=C(C[NH+]2CCN(C(=O)CC(C)C)CC2)N(CC)C(=O)NC1c1cccc(Oc2ccccc2)c1 to decrease its MR value.,CCOC(=O)C1=C(C[NH+]2CCC(C(C)C)C2)N(CC)C(=O)NC1c1cccc(Oc2ccccc2)c1
QED,Modify the molecule CC12C=CC(=O)CC1=CC(O)C1C2CCC2(C)C(O)CCC12 to increase its QED value.,CC12CCCC1C1C(O)C=C3CC(=O)C=CC3(C)C1CC2
AtomNum,"There is a molecule consisting of 13 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",COc1ccc2[nH]c(C(N)=O)c(CCNC(C)=O)c2n1
BondNum,"The molecule has 7 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",O=C(CNc1ccccc1)Cc1ccc(F)c(Br)c1
FunctionalGroup,"The molecule contains 1 amide group, and 3 halo groups.",[NH3+]CCN1CCN(C(=O)C2CCCC(C(F)(F)F)C2)CC1
AddComponent,Add a amine to the molecule CC[NH2+]C1COCC1C(=O)NCCCCC(F)(F)F.,CC(N)[NH2+]C1COCC1C(=O)NCCCCC(F)(F)F
SubComponent,Substitute a halo in the molecule O=C([O-])c1c(F)cccc1NS(=O)(=O)c1ccccc1F with a hydroxyl.,O=C([O-])c1c(O)cccc1NS(=O)(=O)c1ccccc1F
DelComponent,Modify the molecule amide by removing a CC(=O)NS(=O)(=O)Nc1ccc2c(c1)CCN2C1NC(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2)S1.,O=C1NC(N2CCc3cc(N[SH](=O)=O)ccc32)SC1=Cc1ccc(OCc2ccc(F)cc2)cc1
LogP,Please optimize the molecule Cc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)C(C)C)CC1 to have a higher LogP value.,Cc1ccc(C(=O)Nc2ccccc2F)cc1C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)C(C)C)CC1
MR,Please modify the molecule CCCn1c(CC)nc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12 to increase its MR value.,CCCn1c(C(C)O)nc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12
QED,Modify the molecule C=CCCC(=O)N(CCCOCC)C1CC(C(=O)NCCO)=CC(Oc2c(I)cc(CO)cc2OC)C1O to increase its QED value.,C=CCCC(=O)N(CCCOCC)C1CC(C(=O)NCCO)=CC(Oc2ccc(CO)cc2OC)C1O
AtomNum,"Please generate a molecule with 26 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cc1ncc(C(=O)NCCc2ccc(C)c(CCCn3ccnc3)c2)c(NCC(C)(C)C)n1
BondNum,"Please generate a molecule with 11 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(C(C(=O)[O-])N(C=O)C2CC2)cc1F
FunctionalGroup,Please generate a molecule with and 2 sulfide groups.,c1cc2cc3sc4c5cc6cnccc6cc5sc4c3cc2cn1
AddComponent,Please add a hydroxyl to the molecule CC(C)(C)CCCC(C)(C)CO[Si].,CC(C)(C)CCCC(C)(CO)CO[Si]
SubComponent,Please substitute a Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccccc1Cl in the molecule halo with a aldehyde.,CC(=O)c1ccccc1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1C
DelComponent,Remove a amine from the molecule O=C(N1CCc2cc(S(=O)(=O)NCCCC[NH+]3CCc4ccc([N+](=O)[O-])cc4C3)ccc2C1)C(F)(F)F.,O=C(N1CCc2cc(S(=O)(=O)CCCC[NH+]3CCc4ccc([N+](=O)[O-])cc4C3)ccc2C1)C(F)(F)F
LogP,Modify the molecule CCc1[nH]nc(C(=O)NCC2CC2)c1N to have a lower LogP value.,Nc1c(C(=O)NCC2CC2)n[nH]c1CCCC=O
MR,Modify the molecule CCOC(=O)NC1CCC2(C)CCCCC2C1 to have a higher MR value.,CCOC(=O)NC1(O)CCC2(C)CCCCC2C1
QED,Please modify the molecule O=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 to decrease its QED value.,N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)NCC4CCCO4)cc3)CC2)cc1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CCOC(=O)C(CNC(=O)Nc1cccc(F)c1)Cc1ccccc1
BondNum,"The molecule consists of 11 single bonds, 2 double bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCc1ccc(C(=O)NCC2(C(=O)[O-])CC2)o1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 2 amine groups, and 1 halo group.",CCNC(=S)NN=Cc1ccccc1OCC(=O)Nc1ccc(F)cc1
AddComponent,Add a benzene ring to the molecule Clc1cccc(Cl)c1Nc1nc(-c2nc3ccc(Br)cc3[nH]2)cs1.,Clc1cccc(Cl)c1Nc1nc(-c2nc3ccc(Br)c(-c4ccccc4)c3[nH]2)cs1
SubComponent,Modify the molecule halo by substituting a NC(=S)c1cccc(Cn2ncc3ccccc32)c1F with a thiol.,NC(=S)c1cccc(Cn2ncc3ccccc32)c1S
DelComponent,Please remove a hydroxyl from the molecule CCC1CCCC(CCO)(C(C)(C)[NH3+])CC1.,CCC1CCCC(CC)(C(C)(C)[NH3+])CC1
LogP,Please modify the molecule O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCC1(c2ccc(F)cc2)CCCC1 to decrease its LogP value.,O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCC1(c2ccc(C(=O)[OH])cc2)CCCC1
MR,Optimize the molecule CCCCn1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)nc2c(OCC[NH+](C(C)C)C(C)C)cc(OCC[NH+](C(C)C)C(C)C)cc21 to have a lower MR value.,CCCCn1c(Oc2ccc(C(C)(C)C)cc2)nc2c(OCC[NH+](C(C)C)C(C)C)cc(OCC[NH+](C(C)C)C(C)C)cc21
QED,Optimize the molecule CCOCC(CCl)OC1CCCCO1 to have a higher QED value.,CCOCC(CC(=O)[OH])OC1CCCCO1
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",C[NH+]1CCOC2CCN(C(=O)c3cc4nc[nH]c4cc3F)CC21
BondNum,"Please generate a molecule consisting 2 single bonds, 3 double bonds, 1 rotatable bond, and 11 aromatic bonds.",Cn1c(=O)[nH]c(=O)c2nc(C=O)cnc21
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 amide groups.",Cc1cccc(C(=O)N2CC3CC3C2C(N)=O)c1-c1cccnc1
AddComponent,Please add a hydroxyl to the molecule CCC[NH2+]Cc1cn(-c2cc(Cl)cc(C(F)(F)F)c2)nn1.,CCC[NH2+]Cc1cn(-c2cc(Cl)c(O)c(C(F)(F)F)c2)nn1
SubComponent,Substitute a halo in the molecule Cn1ncc2c1CCCN(C(=O)NCc1ccc(F)cc1Br)C2 with a aldehyde.,CC(=O)c1ccc(CNC(=O)N2CCCc3c(cnn3C)C2)c(Br)c1
DelComponent,Please remove a NS(=O)(=O)Nc1ccc(Cl)nn1 from the molecule amine.,O=[SH](=O)Nc1ccc(Cl)nn1
LogP,Modify the molecule OCc1cnn(-c2cccnn2)c1C(F)F to have a higher LogP value.,OC(c1ccccc1)c1cnn(-c2cccnn2)c1C(F)F
MR,Optimize the molecule Clc1cccc(-c2cc3cc(Br)cnc3[nH]2)c1 to have a higher MR value.,Sc1cccc(-c2cc3cc(Br)cnc3[nH]2)c1
QED,Modify the molecule CCOP(=O)(CC1=[NH+]OC(CO)N1CCO)OCC to increase its QED value.,CCOP(=O)(CC1OC(CO)N1CCO)OCC
AtomNum,"Please generate a molecule consisting 32 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)cc2)C(=O)c2cc3ccccc3cc21
BondNum,"There is a molecule with 12 single bonds, 3 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",CCn1c(C2CCCN(C(=O)C=Cc3ccco3)C2)n[nH]c1=S
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 ketone group, and 4 ester groups.",CCC1OC(OC2C(C(=O)OC)OC(OC3C(CC)OC(OCCCCC[NH+](CC(=O)c4ccccc4)Cc4ccccc4)C(N=[N+]=[N-])C3C)C(OC(C)=O)C2C)C(N=[N+]=[N-])C(C)C1OC1OC(C(=O)OC)C(C)C(C)C1OC(C)=O
AddComponent,Modify the molecule Cc1ccc(Br)c(C)c1 by adding a aldehyde.,Cc1ccc(Br)c(CCC=O)c1
SubComponent,Modify the molecule halo by substituting a O=C(CSc1ccc(F)cc1)Cc1cccc(F)c1Br with a nitrile.,N#Cc1ccc(SCC(=O)Cc2cccc(F)c2Br)cc1
DelComponent,Please remove a amine from the molecule O=S(=O)(Nc1nc(C2CC2)cs1)c1ccc2c(c1)CCN2.,O=S(=O)(Nc1nc(C2CC2)cs1)c1ccc2c(c1)CC2
LogP,Please optimize the molecule Nc1ccc(SCCC(=O)Nc2ccc(Br)cc2)cc1 to have a lower LogP value.,Nc1ccc(SCCC(=O)Nc2ccccc2)cc1
MR,Please optimize the molecule Cc1ccc(CC(C[NH2+]C2CC2)c2ccccc2Br)cc1 to have a lower MR value.,Cc1ccc(CC(C[NH2+]C2CC2)c2ccccc2O)cc1
QED,Modify the molecule COc1ccc(C)cc1CCNC(=O)C(NC(=O)CC(C)C)c1ccccc1 to have a lower QED value.,COc1ccc(C)cc1CCNC(=O)C(N)(NC(=O)CC(C)C)c1ccccc1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",COc1cncc(-c2ccc3ccccc3c2)c1
BondNum,"Please generate a molecule with 10 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCC[NH2+]C(CCC)c1ccc(Cl)c(C)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 halo group.",Cn1ncnc1COc1nc2c(cc1-c1ccco1)nnn2-c1ccccc1F
AddComponent,Modify the molecule Nc1nc2c3c(ccn3n1)C(c1cccc(F)c1F)Nc1ccccc1-2 by adding a benzene ring.,Nc1nc2c3c(ccn3n1)C(c1cccc(F)c1F)Nc1ccc(-c3ccccc3)cc1-2
SubComponent,Substitute a nitrile in the molecule CNc1cc[nH+]cc1C(=O)Nc1c(C#N)cccc1OC with a hydroxyl.,CNc1cc[nH+]cc1C(=O)Nc1c(O)cccc1OC
DelComponent,Please remove a amide from the molecule CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)[nH]1.,CCOC(=O)c1cc(-c2ccccc2)sc1Sc1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)[nH]1
LogP,Modify the molecule CC(C(=O)N1CCCC2(C1)NC(=O)NC2=O)c1cc2ccccc2o1 to have a higher LogP value.,CC(C(=O)N1CCCC(=O)NC1)c1cc2ccccc2o1
MR,Modify the molecule CC(C)(C)C(NC(=O)CC1CC2CCC1C2)C(=O)I to decrease its MR value.,CC(C)(C)C(C=O)NC(=O)CC1CC2CCC1C2
QED,Please optimize the molecule CC(C)C1CCCC(O)(c2cccs2)CC1 to have a lower QED value.,CC(C)C1CCCC(c2cccs2)CC1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 fluorine atoms.",Cc1ccc(CC(=O)N2CCC(F)(F)CC2)cc1
BondNum,"The molecule contains 14 single bonds, 1 double bond, 5 rotatable bonds, and 23 aromatic bonds.",O=C([O-])c1ccc2nc(-c3ccc(F)cc3)c(N3CCCc4cc(OC(F)F)ccc43)nc2c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 3 amine groups.",C[NH+]=C(NCCCC(C)C)NCc1ccc(C(=O)N2CC(C)OC(C)C2)cc1
AddComponent,Modify the molecule O=C1CNC(=O)C(NC(=O)Cc2ccccc2)C1 by adding a hydroxyl.,O=C1CNC(=O)C(NC(=O)Cc2ccccc2O)C1
SubComponent,Modify the molecule halo by substituting a CC(O)C(C)(C)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cc1 with a carboxyl.,CC(O)C(C)(C)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)C(=O)[OH])cc23)cc1
DelComponent,Please remove a hydroxyl from the molecule CCCCCCCCCOc1cccc(O)c1.,CCCCCCCCCOc1ccccc1
LogP,Please optimize the molecule CC(C)(C)OC(=O)N1CCc2c(O)cccc2C1C(=O)[O-] to have a higher LogP value.,CC(C)(C)OC(=O)N1C(c2ccccc2)Cc2c(O)cccc2C1C(=O)[O-]
MR,Please modify the molecule CCc1cc(C(=O)OC)c(CC)c(CC)c1N1C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21 to increase its MR value.,CC(=O)C(F)(F)c1ccc(-c2ccc3c(c2)CCC(=O)N3c2c(CC)cc(C(=O)OC)c(CC)c2CC)cc1
QED,Modify the molecule CC(CCC(O)c1cccc2c1-c1ccccc1C2)C1=CC=CC1 to have a lower QED value.,CC(CCCc1cccc2c1-c1ccccc1C2)C1=CC=CC1
AtomNum,"There is a molecule consisting of 23 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CCC(C)NC(=O)CSc1nnc2n(-c3cc(C)ccc3C)c(=O)c3ccccc3n12
BondNum,"There is a molecule consisting of 16 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",CCC[NH2+]C1(c2nc(C)c(C)s2)CC(C)CC(C)(C)C1
FunctionalGroup,The molecule has and 1 hydroxyl group.,CCCCCCCCC=CCCCCCCCCOP(O)ON(CCCCCCCC)CCCCCCCC
AddComponent,Add a hydroxyl to the molecule CC([NH2+]CCC[NH+]1CCCC1)C1CCCO1.,CC([NH2+]CCC[NH+]1CCCC1)C1CCC(O)O1
SubComponent,Modify the molecule hydroxyl by substituting a OCc1cn(Cc2cccnc2)c2ccccc12 with a halo.,ClCc1cn(Cc2cccnc2)c2ccccc12
DelComponent,Please remove a halo from the molecule O=P1([O-])Oc2c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc3ccccc3c2-c2c(c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc3ccccc23)O1.,O=P1([O-])Oc2c(-c3ccc(C(F)F)cc3C(F)(F)F)cc3ccccc3c2-c2c(c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc3ccccc23)O1
LogP,Optimize the molecule COc1cc(S(=O)(=O)N2CCCCCC2)ccc1N to have a higher LogP value.,COc1cccc(S(=O)(=O)N2CCCCCC2)c1
MR,Please modify the molecule CCc1ccc(C(=O)Nc2ccc(C3SCC(=O)N3c3cccc(F)c3C)cc2)cc1 to increase its MR value.,CCc1ccc(C(=O)Nc2ccc(C3SCC(=O)N3c3cccc(F)c3C)cc2)cc1-c1ccccc1
QED,Please optimize the molecule CCn1cc(C(=O)Nc2cnn(C)c2)c(=O)c2cc3c(cc21)OCO3 to have a lower QED value.,CCn1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)c(=O)c2cc3c(cc21)OCO3
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC(C=O)=Cc1ccncc1C=O
BondNum,"There is a molecule composed of 19 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",COc1ccc(F)cc1C[NH+]1CCN(C(=O)c2cn(C3CCOC3)nn2)CC1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 hydroxyl group, and 2 halo groups.",COc1cccc(-c2cccc(F)c2F)c1O
AddComponent,Add a aldehyde to the molecule C=C(C)c1c(Cl)ncnc1SC.,C=C(C)c1c(Cl)nc(CC=O)nc1SC
SubComponent,Please substitute a halo in the molecule CC(C)CC(C#N)(CC(C)C)Nc1cccc(Cl)c1 with a hydroxyl.,CC(C)CC(C#N)(CC(C)C)Nc1cccc(O)c1
DelComponent,Please remove a CCC([NH3+])C(=O)N(C)CCOc1ccc(OC)cc1 from the molecule benzene ring.,CCC([NH3+])C(=O)N(C)CCOOC
LogP,Please modify the molecule O=C(CNC(=O)c1ccccc1F)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 to increase its LogP value.,CC(=O)c1ccccc1C(=O)NCC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1
MR,Please optimize the molecule N#Cc1c(F)cccc1OCC(O)COCc1ccco1 to have a lower MR value.,N#Cc1c(F)cccc1OCCCOCc1ccco1
QED,Please modify the molecule COc1ncccc1C(=O)N1CCN(c2cc(-n3ccnc3)nc(C)n2)CC1 to increase its QED value.,COc12ncccC1CN(c1cc(-n3ccnc3)nc(C)n1)CC2
AtomNum,"The molecule contains 13 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",O=c1c2c([nH]n1-c1ccccc1)CC[NH2+]CC2
BondNum,"The molecule consists of 12 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCC1SCCSC1C(=O)Cc1cccc(C)c1
FunctionalGroup,The molecule contains and 1 sulfide group.,CC[NH+]1CCN(c2nc(C[NH2+]C3CCCC3)cs2)CC1
AddComponent,Modify the molecule O=C1CC(c2ccc(Cl)cc2)=Nc2cc(Cl)ccc2N1 by adding a benzene ring.,O=C1CC(c2ccc(Cl)cc2)=Nc2cc(Cl)c(-c3ccccc3)cc2N1
SubComponent,Please substitute a nitrile in the molecule Cc1cc(Cc2[nH]c(Cc3ccc(C#N)cc3)c[nH+]2)ccc1-c1cccc(C(F)(F)F)c1 with a carboxyl.,Cc1cc(Cc2[nH]c(Cc3ccc(C(=O)[OH])cc3)c[nH+]2)ccc1-c1cccc(C(F)(F)F)c1
DelComponent,Modify the molecule halo by removing a Cc1nn(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C)c1[N+](=O)[O-].,Cc1nn(C[NH+]2CCN(c3ccccc3)CC2)c(C)c1[N+](=O)[O-]
LogP,Please optimize the molecule CCC(C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCO to have a higher LogP value.,CCC(C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCS
MR,Please modify the molecule O=C(CSc1cn(CCNC(=O)c2c(F)cccc2F)c2ccccc12)Nc1ccccc1F to increase its MR value.,O=C(CSc1cn(CCNC(=O)c2c(F)cccc2S)c2ccccc12)Nc1ccccc1F
QED,Please modify the molecule C[NH2+]C(CCC[NH+]=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)CC1NC(=O)N(C(Cc2cnc[nH]2)C(=O)NC(C=O)Cc2ccccc2)C1=O)C(N)=O to increase its QED value.,C[NH2+]C(CCC[NH+]=CN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)CC1NC(=O)N(C(Cc2cnc[nH]2)C(=O)NC(C=O)Cc2ccccc2)C1=O)C(N)=O
AtomNum,"Please generate a molecule consisting 37 carbon atoms, 7 oxygen atoms, and 3 nitrogen atoms.",O=C1CCC=CC2OC34C=CCN(Cc5ccccc5)C(=O)C3N(CCCCCCO)C(=O)C4C2C(=O)NC(c2ccccc2)CO1
BondNum,"There is a molecule with 7 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",CCOc1ccccc1Nc1ncnc2cccc(C(=O)[O-])c12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 1 halo group.",[NH3+]CCC1CCN(C(=O)C=Cc2ccc(F)cc2)CC1
AddComponent,Modify the molecule CC1NC(=O)CCN(CCSc2ccccc2)C1=O by adding a amine.,NCC1NC(=O)CCN(CCSc2ccccc2)C1=O
SubComponent,Please substitute a halo in the molecule O=C([O-])C1CCCCC1CNS(=O)(=O)c1ccc(Cl)s1 with a nitro.,ONc1ccc(S(=O)(=O)NCC2CCCCC2C(=O)[O-])s1
DelComponent,Remove a halo from the molecule CC(C)(C)c1ccc(C(=O)NCCC(=O)Cl)cc1.,CC(C)(C)c1ccc(C(=O)NCCC=O)cc1
LogP,Please modify the molecule CC(C)CC[NH+](CC(O)CCl)C1CCCC1 to increase its LogP value.,CC(C)CC[NH+](CCCCl)C1CCCC1
MR,Modify the molecule O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)s1 to decrease its MR value.,NC(=O)Nc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)s1
QED,Modify the molecule Brc1ccc2c(n1)CC[NH2+]C2 to have a lower QED value.,CC(=O)c1ccc2c(n1)CC[NH2+]C2
AtomNum,"The molecule has 14 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",OCc1cc2c(cc1OCc1noc(C3CC3)n1)OCO2
BondNum,"Please generate a molecule composed of 10 single bonds, 2 double bonds, 6 rotatable bonds, and 10 aromatic bonds.",CC(Cn1ccnc1)Nc1snc(N)c1S(=O)(=O)N(C)C
FunctionalGroup,"The molecule has 1 benzene ring group, and 2 ketone groups.",O=C1c2ccccc2C(=O)C12[NH+]1CCCC1C(c1ccccc1)C21c2ccccc2-c2ccccc21
AddComponent,Modify the molecule CCOC(=O)CCNc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1 by adding a benzene ring.,O=C(CCNc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1)OCCc1ccccc1
SubComponent,Modify the molecule halo by substituting a O=S(=O)(c1ccc(Br)c(F)c1)N1CCCC1C1CCC[NH2+]1 with a thiol.,O=S(=O)(c1ccc(S)c(F)c1)N1CCCC1C1CCC[NH2+]1
DelComponent,Remove a benzene ring from the molecule CC(C)(C)n1c(-c2ccc(N(c3cccnc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2C(C)(C)C)ccc1N(c1cccnc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.,CC(C)(C)n1c(-c2ccc(N(c3cccnc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2C(C)(C)C)ccc1N(c1cccnc1)c1ccc2c(c1)C(c1ccccc1)c1ccccc1-2
LogP,Please optimize the molecule CC1CC[NH+](C(C)c2nc(C(=O)[O-])cs2)CC1 to have a higher LogP value.,CC1CC[NH+](C(C)(c2ccccc2)c2nc(C(=O)[O-])cs2)CC1
MR,Optimize the molecule CCCNC(=O)c1ccccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2c(C)cccc2C(=O)NC2CCCC2)CC1 to have a higher MR value.,CCCNC(=O)c1ccccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCC(=O)Nc2c(C)cccc2C(=O)NC2CCCC2)C(N)C1
QED,Please optimize the molecule COC(C)COc1c(Cl)cccc1C=CC(=O)[O-] to have a higher QED value.,COC(C)COc1c(O)cccc1C=CC(=O)[O-]
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC[NH+](Cc1ccc(F)c(C)c1)C1CCC([NH3+])CC1
BondNum,"The molecule consists of 5 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",Cc1cncc(C(=O)C(O)c2ccccc2)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CCOc1ccccc1OCC(=O)NC(CC)CO
AddComponent,Please add a nitrile to the molecule CCN(CC)C(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CCCN(C(=O)NC2CCCCC2)CC1.,CCN(CC)C(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CCN(C(=O)NC2CCCCC2)CCC1C#N
SubComponent,Substitute a O=C(CCc1ccccn1)NCCCOc1ccc(Cl)cc1Cl in the molecule halo with a nitro.,ONc1ccc(OCCCNC(=O)CCc2ccccn2)c(Cl)c1
DelComponent,Modify the molecule amine by removing a COC(=O)c1sccc1S(=O)(=O)NC(C)CO.,COC(=O)c1sccc1S(=O)(=O)C(C)CO
LogP,Please optimize the molecule CCCc1nc(CN(CC(=O)[O-])c2ccccc2)no1 to have a higher LogP value.,CCCc1nc(CN(CC(=O)[O-])c2cccc(-c3ccccc3)c2)no1
MR,Please optimize the molecule CC1=NN(c2ccc(C(=O)OCC(=O)NC(=O)NCCc3cccs3)cc2)CC1 to have a lower MR value.,CC1=NN(C(=O)OCC(=O)NC(=O)NCCc2cccs2)CC1
QED,Modify the molecule COc1ccc2cc(C)c3ccc(OC)cc3c2c1 to increase its QED value.,COc1ccc2cc(C)c3ccc(OCC#N)cc3c2c1
AtomNum,"There is a molecule composed of 16 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",CC1C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2NC1=O
BondNum,"Please generate a molecule composed of 11 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCC[NH+](Cc1ccccc1C)C(CC)CO
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, and 1 amide group.",O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccccc1N1CCOCC1
AddComponent,Modify the molecule O=C(c1ccc(Cl)cc1Cl)N(Cc1ccccn1)C1CCC[NH2+]CC1 by adding a carboxyl.,O=C(c1ccc(Cl)cc1Cl)N(Cc1ccccn1)C1(C(=O)O)CCC[NH2+]CC1
SubComponent,Modify the molecule hydroxyl by substituting a CCOc1cc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc(Cl)c1O with a nitrile.,CCOc1cc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc(Cl)c1C#N
DelComponent,Remove a Cc1[nH]c(C(C)C)nc(=O)c1C(=O)N1CCOC2(CCCC2)C1 from the molecule amide.,CC(C)c1nc(=O)-c(C)(C2COC3(CCCC3)C2)[nH]1
LogP,Modify the molecule CCn1ncc(Cl)c1C([NH2+]C)C1COc2ccccc2O1 to have a lower LogP value.,CCn1nccc1C([NH2+]C)C1COc2ccccc2O1
MR,Modify the molecule CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC[NH2+]CC2)c1 to decrease its MR value.,CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)C2CC[NH2+]CC2)c1
QED,Please modify the molecule COc1ccc(COCC2(CCC=O)C=CCC(CO[Si](C)(C)C(C)(C)C)N2C(=O)OCc2ccccc2)cc1 to decrease its QED value.,CC(C)(C)[Si](C)(C)OCC1CC=CC(CCC=O)(COCc2ccc(OCO)cc2)N1C(=O)OCc1ccccc1
AtomNum,"The molecule contains 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",COc1ccccc1CC(NN)c1cc(Br)ccc1F
BondNum,"The molecule consists of 9 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",[NH3+]CC(NCC(F)(F)F)c1cccnc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 nitro group, 1 halo group, and 1 nitrile group.",CCC(CC1=NC(C)(C#N)N=C1)c1ccc(Cl)cc1[N+](=O)[O-]
AddComponent,Please add a hydroxyl to the molecule COC1=CC(OC)=C(C2=C(P(c3ccc(C)cc3)c3ccc(C)cc3)C=C(OC)C(C)C2OC)C(P(c2ccc(C)cc2)c2ccc(C)cc2)C1.,COC1=CC(OC)=C(C2=C(P(c3ccc(C)cc3)c3ccc(C)cc3O)C=C(OC)C(C)C2OC)C(P(c2ccc(C)cc2)c2ccc(C)cc2)C1
SubComponent,Modify the molecule COC(=O)C1CC(O)C2CCC(C(C)C)C(=O)N12 by substituting a hydroxyl with a halo.,COC(=O)C1CC(Br)C2CCC(C(C)C)C(=O)N12
DelComponent,Remove a CCNCC(C)S(=O)(=O)N1CCC(C(C)(C)C)C1 from the molecule amine.,CCCC(C)S(=O)(=O)N1CCC(C(C)(C)C)C1
LogP,Please optimize the molecule CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(COC)c2)oc(C)c1C(C)=O to have a lower LogP value.,CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(COCN)c2)oc(C)c1C(C)=O
MR,Optimize the molecule O=C([O-])Cc1ccc2ccn(Cc3ccc(F)cc3C(F)(F)F)c2c1 to have a higher MR value.,Nc1c(F)ccc(Cn2ccc3ccc(CC(=O)[O-])cc32)c1C(F)(F)F
QED,Modify the molecule Cc1c(C=O)ccnc1Br to have a higher QED value.,Cc1c(C=O)cc(C(=O)O)nc1Br
AtomNum,"There is a molecule consisting of 19 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COc1ccc(CN2C(=O)CSC2c2cccc(OC)c2OC)cc1
BondNum,"There is a molecule composed of 11 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C(Cc1ccc([S-])cc1)NC1CCCS(=O)(=O)C1
FunctionalGroup,There is a molecule with and 2 benzene ring groups.,CC(C)(C)OC(=O)Oc1ccc(OCc2ccc(C=C[Si](C)(C)C)cc2)cc1
AddComponent,Modify the molecule CCC1(C)Oc2ccc(NCc3cc(C(N)=O)cs3)cc2O1 by adding a hydroxyl.,CC(O)C1(C)Oc2ccc(NCc3cc(C(N)=O)cs3)cc2O1
SubComponent,Substitute a halo in the molecule COc1ccc(C[NH+]2CC(CO)C(C[NH+]3CCCC3)C2)cc1F with a nitro.,COc1ccc(C[NH+]2CC(CO)C(C[NH+]3CCCC3)C2)cc1NO
DelComponent,Remove a benzene ring from the molecule CC(C)OC(=O)C(C)NP(=O)(OCC1C2(C)OC(n3cc(F)c(N)nc3=O)C(F)(F)C12COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1)Oc1ccccc1.,CC(C)OC(=O)C(C)NP(=O)(O)OCC12C(COP(=O)(NC(C)C(=O)OC(C)C)Oc3ccccc3)C1(C)OC(n1cc(F)c(N)nc1=O)C2(F)F
LogP,Please modify the molecule O=C(Nc1ccc(F)cc1)c1nc(Cc2ccccc2)n2ccccc12 to decrease its LogP value.,O=C(Nc1ccc(O)cc1)c1nc(Cc2ccccc2)n2ccccc12
MR,Modify the molecule COc1cccc(NC(C)c2ccccc2F)c1 to have a higher MR value.,COc1cccc(NC(C)c2ccccc2O)c1
QED,Please modify the molecule CNC(=O)C(C)(C#N)C(c1ccccc1OC)c1cccc2ccccc12 to increase its QED value.,CNC(=O)C(C)(C#N)C(OC)c1cccc2ccccc12
AtomNum,"There is a molecule with 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)c1sc(-c2ccc(OCC(C)C)c(NC=O)c2)nc1C
BondNum,"The molecule is composed of 10 single bonds, 7 rotatable bonds, and 12 aromatic bonds.",CCC[NH2+]Cc1ccc(SCc2ccc(Cl)cc2)c(F)c1
FunctionalGroup,"The molecule contains 1 hydroxyl group, 1 thioether group, and 2 sulfide groups.",O=C([O-])c1cc(SC2CCCC2O)cs1
AddComponent,Add a hydroxyl to the molecule Cc1nc(N2CCCC2c2nncn2CC(C)C)c2c(-c3ccccc3)csc2n1.,Cc1nc(N2CC(O)CC2c2nncn2CC(C)C)c2c(-c3ccccc3)csc2n1
SubComponent,Substitute a halo in the molecule O=C(C=Cc1c(Cl)nc2sccn12)NCCc1ccc(OC(F)(F)F)cc1 with a nitro.,ONc1nc2sccn2c1C=CC(=O)NCCc1ccc(OC(F)(F)F)cc1
DelComponent,Remove a O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccccc1)c1ccccc1 from the molecule benzene ring.,O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccccc1
LogP,Optimize the molecule CC(C)CC(NC(=O)C(CS)NC(=O)C([NH3+])CC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)[O-] to have a higher LogP value.,CC(C)CC(NC(=O)C(C)NC(=O)C([NH3+])CC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)[O-]
MR,Optimize the molecule CCCCC(C)NS(=O)(=O)c1ccc(N)c2ccccc12 to have a lower MR value.,CCCCC(C)NS(=O)(=O)c1cccc2ccccc12
QED,Optimize the molecule CCCCOCCNC(=O)NC(CCCOC)C(=O)[O-] to have a higher QED value.,CCCCOCC(NC(=O)NC(CCCOC)C(=O)[O-])c1ccccc1
AtomNum,"There is a molecule with 15 carbon atoms, 4 nitrogen atoms, and 1 fluorine atom.",CC(C)Cn1ncnc1CC(C)([NH3+])c1cccc(F)c1
BondNum,"Please generate a molecule composed of 15 single bonds, 8 double bonds, 1 rotatable bond, and 32 aromatic bonds.",O=S(=O)([O-])c1ccc2c(c1)C1=NC2=Nc2c3c[c-]ccc3c3n2[In](Cl)n2c(c4ccccc4c2=NC2=NC(=N3)c3c[c-]ccc32)=N1
FunctionalGroup,"The molecule contains 1 anhydride group, and 2 ester groups.",COCC1C(=O)OC(=O)C1C(C)C(C)C
AddComponent,Please add a hydroxyl to the molecule N#Cc1cccc(N2CC[NH+](CCCO)CC2)n1.,N#Cc1cccc(N2CC[NH+](CC(O)CO)CC2)n1
SubComponent,Modify the molecule halo by substituting a COc1cnc2ccc(=O)n(CC[NH+]3CCC([NH2+]Cc4cnc(F)c(C)c4)CC3)c2c1 with a thiol.,COc1cnc2ccc(=O)n(CC[NH+]3CCC([NH2+]Cc4cnc(S)c(C)c4)CC3)c2c1
DelComponent,Modify the molecule benzene ring by removing a CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(C[NH+](C)C)c12.,CCOC(=O)c1c(CS)n(C)c2cc(Br)c(O)c(C[NH+](C)C)c12
LogP,Optimize the molecule O=c1n(CCCCCCl)nc2cnccn12 to have a lower LogP value.,CCCCCn1nc2cnccn2c1=O
MR,Please modify the molecule COC(CC[Si](Cl)(Cl)Cl)c1ccccc1 to increase its MR value.,CC(=O)[Si](Cl)(Cl)CCC(OC)c1ccccc1
QED,Modify the molecule Cc1sc(C(=O)c2ccc(Br)cc2F)cc1Br to decrease its QED value.,Cc1sc(C(=O)c2ccc(NO)cc2F)cc1Br
AtomNum,"The molecule is composed of 18 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",CC1Oc2ccccc2OC1C(=O)N(C)CC(=O)NCc1ccco1
BondNum,"The molecule has 12 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",NC(=O)c1c(F)cccc1NC1(C(=O)[O-])CCOC1
FunctionalGroup,There is a molecule with and 2 ester groups.,COCc1c(C(=O)OC2CCOC2=O)oc2ccccc12
AddComponent,Modify the molecule CN(Cc1ccc(OC(F)F)cc1)C(=O)CSCc1ccc(C#N)cc1 by adding a hydroxyl.,CN(Cc1ccc(OC(F)F)cc1)C(=O)CSCc1ccc(C#N)c(O)c1
SubComponent,Substitute a hydroxyl in the molecule CC(O)c1ccc(N(CCO)CC(F)(F)F)c([N+](=O)[O-])c1 with a halo.,CC(Br)c1ccc(N(CCO)CC(F)(F)F)c([N+](=O)[O-])c1
DelComponent,Remove a halo from the molecule Clc1cc(Cl)c2c(c1)C([NH2+]CCn1ccnn1)CCO2.,Clc1ccc2c(c1)C([NH2+]CCn1ccnn1)CCO2
LogP,Optimize the molecule Fc1ccc(CCCNC(=S)Nc2nc(N3CCCC3)cc(N3Cc4ccccc4C3)n2)cc1 to have a lower LogP value.,ONc1ccc(CCCNC(=S)Nc2nc(N3CCCC3)cc(N3Cc4ccccc4C3)n2)cc1
MR,Optimize the molecule COC(=O)C([NH2+]Cc1ccc(Cl)cc1)C1CC1 to have a lower MR value.,COC(=O)C([NH2+]Cc1ccccc1)C1CC1
QED,Please modify the molecule Cc1ncn(CC(=O)NCC(C)(C)C)c1C[NH3+] to decrease its QED value.,Cc1ncn(CC(=O)NCC(C)(C)CO)c1C[NH3+]
AtomNum,"There is a molecule composed of 15 carbon atoms, 3 nitrogen atoms, 1 chlorine atom, and 1 bromine atom.",CC(C)c1nc(Cl)cc(N(C)Cc2ccc(Br)cc2)n1
BondNum,"There is a molecule with 11 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Nc1c(Nc2ccccc2Br)ncnc1N1CCCCC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, 1 nitro group, 2 halo groups, and 1 sulfone group.",C=C1NC2(c3cc([N+](=O)[O-])ccc3F)COC(CF)C2S(=O)(=O)N1C
AddComponent,Please add a hydroxyl to the molecule O=C(C1=C2CCCC2Cc2ccccc21)c1ccccc1.,O=C(C1=C2C(O)CCC2Cc2ccccc21)c1ccccc1
SubComponent,Substitute a halo in the molecule Cc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(F)cc3F)c2=O)cc1 with a thiol.,Cc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(S)cc3F)c2=O)cc1
DelComponent,Modify the molecule Cc1nccn1CCOc1ccc(C[NH2+]C2CC2)cc1Cl by removing a halo.,Cc1nccn1CCOc1ccc(C[NH2+]C2CC2)cc1
LogP,Please optimize the molecule Oc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 to have a higher LogP value.,c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
MR,Please optimize the molecule COc1cc(NC(C)C(=O)N2CCOCC2)c(Br)cc1Br to have a lower MR value.,COc1cc(NC(C)C(=O)N2CCOCC2)ccc1Br
QED,Optimize the molecule Nc1nnc2ccc(F)cn12 to have a lower QED value.,Nc1nnc2ccc(O)cn12
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CCC([NH+]2CCCC2)C1
BondNum,"The molecule consists of 24 single bonds, 1 double bond, 9 rotatable bonds, and 5 aromatic bonds.",CCNC(NC(C)COC1CCOC1)=[NH+]CCC(O)(c1nccn1C)C(F)(F)F
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amide groups, and 1 sulfide group.",CC(NC(=O)C1CCCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21)c1ccccc1
AddComponent,Add a amine to the molecule CC[NH2+]CCN1CCN(c2nccs2)CC1.,NCC[NH2+]CCN1CCN(c2nccs2)CC1
SubComponent,Please substitute a hydroxyl in the molecule C[NH+]1CCC(O)(c2nn[n-]n2)CC1 with a aldehyde.,CC(=O)C1(c2nn[n-]n2)CC[NH+](C)CC1
DelComponent,Remove a S=c1[nH]nc(NCC2CCC2)s1 from the molecule amine.,S=c1[nH]nc(CC2CCC2)s1
LogP,Please modify the molecule CCCCCCCCCCCCCCCCCC=CC(=O)C(OC(=O)CCCCCCCCCCCCCCC)C(CO)OP(=O)([O-])OCC([NH3+])C(=O)[O-] to increase its LogP value.,CCCCCCCCCCCCCCCCCC=CC(=O)C(OC(=O)CCCCCCCCCCCCCCC)C(C)OP(=O)([O-])OCC([NH3+])C(=O)[O-]
MR,Modify the molecule CC(O)CCNc1cc(Br)ccc1[N+](=O)[O-] to decrease its MR value.,CC(O)CCc1cc(Br)ccc1[N+](=O)[O-]
QED,Please modify the molecule CC1(C)CC1C(Cl)c1cc(Cl)cc2c1OCC2 to increase its QED value.,CC(=O)C(c1cc(Cl)cc2c1OCC2)C1CC1(C)C
AtomNum,"The molecule is composed of 24 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 fluorine atoms.",CC1=C(C(=O)OCC2CCCO2)C(c2ccc(F)c(F)c2)C2=C(CC(C)(C)CC2=O)N1
BondNum,"There is a molecule with 7 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",CC(=NNC(=O)c1ccccc1C)c1cccc(O)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 sulfide group.",CCC(C)c1nc(CC([NH2+]C)c2ccccc2)cs1
AddComponent,Modify the molecule COCc1nnc(NC(=O)COc2ccc(-c3ccccc3)cc2)s1 by adding a benzene ring.,COCc1nnc(NC(=O)C(Oc2ccc(-c3ccccc3)cc2)c2ccccc2)s1
SubComponent,Substitute a hydroxyl in the molecule CCC(=S)N1C(CO)SCC1(C)C with a thiol.,CCC(=S)N1C(CS)SCC1(C)C
DelComponent,Please remove a COc1ccc(F)cc1-c1ccc2nc(N)nn2c1C(=O)[O-] from the molecule halo.,COc1ccccc1-c1ccc2nc(N)nn2c1C(=O)[O-]
LogP,Modify the molecule O=C(C(F)F)N(Cc1ccccc1)C1CC1 to have a lower LogP value.,O=CCc1ccccc1CN(C(=O)C(F)F)C1CC1
MR,Optimize the molecule CC1CC(Oc2ccc(N)c(N)c2)C(=O)N1c1ccc(N2CCOCC2=O)cc1 to have a lower MR value.,CC1CC(Oc2cccc(N)c2)C(=O)N1c1ccc(N2CCOCC2=O)cc1
QED,Modify the molecule CCCC1CC(C(=O)c2ccccc2)=Cc2c(F)cccc21 to have a higher QED value.,CCCC1(N)CC(C(=O)c2ccccc2)=Cc2c(F)cccc21
AtomNum,"There is a molecule consisting of 15 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cc1cc(=O)nc(SC(C)C(=O)NCCCn2ccnc2C)[nH]1
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, 5 rotatable bonds, and 15 aromatic bonds.",Cc1cc(C(=O)N(Cc2cccs2)CC2CCCO2)c2c(C)nn(C)c2n1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 1 halo group.",COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(-c3ccccc3F)c2C)cc1C(C)C
AddComponent,Modify the molecule COC(=O)C(Cc1cc(=O)oc2cc(OC)ccc12)NC(=O)C1CCCCC1 by adding a benzene ring.,COC(=O)C(Cc1c(-c2ccccc2)c(=O)oc2cc(OC)ccc12)NC(=O)C1CCCCC1
SubComponent,Substitute a halo in the molecule O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cccc(NC(=O)c2ccco2)c1 with a aldehyde.,CC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1N1CCCC1=O
DelComponent,Modify the molecule halo by removing a CC(C)COc1ccc(NC(=O)COc2ccccc2Cl)cc1.,CC(C)COc1ccc(NC(=O)COc2ccccc2)cc1
LogP,Modify the molecule Cn1nc(C(C)(C)O)nc1SCC(=O)[O-] to have a higher LogP value.,CC(C)c1nc(SCC(=O)[O-])n(C)n1
MR,Optimize the molecule CC[NH+]1CCC(Nc2cccc(N)n2)CC1 to have a lower MR value.,CC[NH+]1CCC(Nc2ccccn2)CC1
QED,Modify the molecule Cc1ccc(C=CC(=O)NCCCCCCO)s1 to have a higher QED value.,CCCCCCNC(=O)C=Cc1ccc(C)s1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",O=C(NCc1ccc(-c2ccco2)nc1)c1ccccn1
BondNum,"Please generate a molecule consisting 14 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(O)c(C(=O)NCC2(C(=O)[O-])CCCCC2)c1
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,COc1ccccc1CC([NH3+])C(C)(C)N1CCCCC1
AddComponent,Add a amine to the molecule CC1=CCCN(c2ncccc2C[NH3+])C1.,CC1=CCC(N)N(c2ncccc2C[NH3+])C1
SubComponent,Modify the molecule halo by substituting a Nc1ccn(Cc2c(F)ccc(Br)c2F)n1 with a nitro.,Nc1ccn(Cc2c(NO)ccc(Br)c2F)n1
DelComponent,Modify the molecule CCC1[NH2+]C(c2cccs2)N(CC[NH+](C)CC)C1=O by removing a amide.,CC[NH+](C)CC1C(C)[NH2+]C1c1cccs1
LogP,Optimize the molecule COc1ccccc1N1CC[NH+](CC2(O)CCC3c4ccc(cc4C(=O)C4CCCCC4)CC(O)CCC(C)=CCCC32C)CC1 to have a lower LogP value.,COc1ccccc1N1CC[NH+](CC2(O)CCC3c4ccc(cc4C(=O)C4CCCCC4)CC(O)CCC(C)=C(C#N)CCC32C)CC1
MR,Optimize the molecule O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cccc(Br)c1 to have a lower MR value.,O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cccc(S)c1
QED,Optimize the molecule CN1CCN(c2c(Cl)cc(N)cc2C(N)=O)C(C)(C)C1=O to have a higher QED value.,CN1CCN(c2c(Cl)cccc2C(N)=O)C(C)(C)C1=O
AtomNum,"The molecule has 18 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 bromine atoms.",CCCCCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCSC1CCCC1NC(=O)c1ccccc1Br
FunctionalGroup,"The molecule has 5 hydroxyl groups, and 2 ester groups.",CCCCCCCCCCCCCCCCCCCCC=CCCCC(=O)OCC(COP(=O)([O-])OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
AddComponent,Add a benzene ring to the molecule COc1ccc(Cl)cc1NC(=O)c1csc(-c2ccncc2)n1.,COc1cc(-c2ccccc2)c(Cl)cc1NC(=O)c1csc(-c2ccncc2)n1
SubComponent,Please substitute a CCC(CCO)NC(=O)c1ccc(N(CC)C(C)C)cc1 in the molecule hydroxyl with a thiol.,CCC(CCS)NC(=O)c1ccc(N(CC)C(C)C)cc1
DelComponent,Modify the molecule amide by removing a CNc1ncc(Br)cc1C(=O)NCCC(=O)NC1CC1.,CNc1ncc(Br)cc1C(=O)NCC1CC1
LogP,Please modify the molecule CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1Cl)C(=O)NC(CC(=O)[O-])C(=O)N(C)C(Cc1ccccc1)C(N)=O to decrease its LogP value.,CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1)C(=O)NC(CC(=O)[O-])C(=O)N(C)C(Cc1ccccc1)C(N)=O
MR,Optimize the molecule C[NH+](C)CCC(C=O)c1ccc(Cl)cc1 to have a higher MR value.,CC(=O)c1ccc(C(C=O)CC[NH+](C)C)cc1
QED,Modify the molecule Cc1cc(-c2cc(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)c3cnn(C(C)C)c3n2)c(C)s1 to have a lower QED value.,Cc1cc(-c2cc(C(=O)Nc3cc4c(cc3Cl)O4)c3cnn(C(C)C)c3n2)c(C)s1
AtomNum,"There is a molecule with 7 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 bromine atom.",COC(=O)C([NH3+])CC(Br)C(=O)OC
BondNum,"There is a molecule with 14 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)Cc1[nH]c(C2CCC(C)(C)CC2)nc(=O)c1I
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amide groups, 2 halo groups, 2 thioether groups, and 1 sulfide group.",CC12CCC(=O)N1C(C(=O)NCc1cccc(OC(F)F)c1)CS2
AddComponent,Add a carboxyl to the molecule C=CC(=O)OC1(C(C)C)CCC(C)C1.,C=C(C(=O)O)C(=O)OC1(C(C)C)CCC(C)C1
SubComponent,Please substitute a Fc1ccc(CC2C[NH2+]CCS2)cc1 in the molecule halo with a nitrile.,N#Cc1ccc(CC2C[NH2+]CCS2)cc1
DelComponent,Remove a benzene ring from the molecule O=C(CSCCOc1ccccc1)NCCC1=CCCCC1.,O=C(CSCCO)NCCC1=CCCCC1
LogP,Please optimize the molecule COc1ccc(CC(NC(=O)C(C)NC(=O)C[NH+]2CCC(O)CC2)C(=O)NC(CC2=CCCC2)C(=O)C2(CCC(N)=O)CO2)cc1 to have a higher LogP value.,COc1ccc(CC(NC(=O)C(C)NC(=O)C[NH+]2CCCCC2)C(=O)NC(CC2=CCCC2)C(=O)C2(CCC(N)=O)CO2)cc1
MR,Please optimize the molecule C=CCN1CCC2(CN(C(=O)CCS(C)(=O)=O)CC2C)C1=O to have a higher MR value.,C=CC(c1ccccc1)N1CCC2(CN(C(=O)CCS(C)(=O)=O)CC2C)C1=O
QED,Modify the molecule CCn1cccc1CNc1ccc([N+](=O)[O-])cc1C#N to have a higher QED value.,CCn1cccc1CNc1ccc([SH]=O)cc1C#N
AtomNum,"The molecule consists of 21 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](CC2CC[NH2+]C2)CC1
BondNum,"There is a molecule with 17 single bonds, 4 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(N2CCCC2=O)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 halo group, and 2 sulfide groups.",O=C([O-])C(Cc1ccc(OC(=C2CC2)[NH+]2CCOCC2)c(Cl)c1)[NH+](Cc1ccsc1)Cc1cccs1
AddComponent,Please add a benzene ring to the molecule CON=C(Cl)C12CCC[NH+](CC1)C2.,CON=C(Cl)C12CCC(c3ccccc3)[NH+](CC1)C2
SubComponent,Substitute a hydroxyl in the molecule COc1ccc(C[NH+]2CCC(C(C)(C)O)C2)cc1O with a carboxyl.,COc1ccc(C[NH+]2CCC(C(C)(C)C(=O)[OH])C2)cc1O
DelComponent,Please remove a amine from the molecule CCNC(=[NH+]Cc1ccc(N2CC[NH+](C)CC2)nc1)N(C)CCC1CCOCC1.,CCNC(Cc1ccc(N2CC[NH+](C)CC2)nc1)N(C)CCC1CCOCC1
LogP,Please optimize the molecule CCCC(C)n1cc(CCCO)nn1 to have a lower LogP value.,CCCC(C)n1cc(CCCNO)nn1
MR,Modify the molecule C[NH2+]C(C)c1ccccc1NS(=O)(=O)c1ccc(C)s1 to have a higher MR value.,C[NH2+]C(C)c1cc(C#N)ccc1NS(=O)(=O)c1ccc(C)s1
QED,Please optimize the molecule COC(=O)C(C)(C)CCCCc1ccc(C2Oc3cccc(OC)c3-c3ccc(CS(N)(=O)=O)cc32)cc1 to have a higher QED value.,COC(=O)C(C)(C)CCCCC1Oc2cccc(OC)c2-c2ccc(CS(N)(=O)=O)cc21
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",Cn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2c3cc(-c4csc(CO)n4)ccc3[nH]c21
BondNum,"The molecule consists of 10 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)CC(O)C1CCCc2cccnc21
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, and 2 halo groups.",CC(C)C[NH2+]C(CN)c1cc(Cl)cc(Cl)c1
AddComponent,Please add a benzene ring to the molecule [NH3+]CCc1nnc(-c2cc(O)cc([N+](=O)[O-])c2)o1.,[NH3+]C(Cc1nnc(-c2cc(O)cc([N+](=O)[O-])c2)o1)c1ccccc1
SubComponent,Substitute a halo in the molecule Cc1nc2c(C)cc(Br)cn2c1C(=O)Nc1ccc(F)cc1F with a nitro.,Cc1nc2c(C)cc(NO)cn2c1C(=O)Nc1ccc(F)cc1F
DelComponent,Please remove a Cc1nc(-c2ccccn2)sc1C(=O)NCC(c1ccccc1Cl)[NH+]1CCCC1 from the molecule halo.,Cc1nc(-c2ccccn2)sc1C(=O)NCC(c1ccccc1)[NH+]1CCCC1
LogP,Please optimize the molecule C[NH+](C)C(C)(C)CNC(=O)c1ccc(Br)cc1N to have a lower LogP value.,C[NH+](C)C(C)(C)CNC(=O)c1ccc(C(=O)[OH])cc1N
MR,Please optimize the molecule COc1ccc(C)cc1NC(=O)C(Sc1nnnn1C1CCCCC1)c1ccccc1 to have a higher MR value.,COc1ccc(C)cc1NC(=O)C(Sc1nnnn1C1CCCCC1)c1ccccc1C(=O)O
QED,Please modify the molecule CN(C)c1ccc(C(=O)N2CCC(n3cnc4ccc(F)cc43)CC2)cc1 to decrease its QED value.,CN(C)c1ccc(C(=O)N2CCC(n3cnc4ccc(C#N)cc43)CC2)cc1
AtomNum,"The molecule contains 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CCCCSc1nnc(NC(=O)c2cc(=O)c3cccc(C)c3o2)s1
BondNum,"Please generate a molecule composed of 16 single bonds, 3 double bonds, 12 rotatable bonds, and 6 aromatic bonds.",CCCCCCCCCc1ccc(OC(=O)C(C)OS(=O)(=O)[O-])cc1
FunctionalGroup,"The molecule contains 1 amine group, and 1 nitrile group.",[C-]#[N+]C(C#N)=C(NCCC[NH+]1CCCC1C)[NH+]1CCC([NH2+]C2CCCC2C)CC1
AddComponent,Modify the molecule NCC(CN1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F by adding a benzene ring.,NCC(CN1CC[NH+](Cc2ccccc2)CC1c1ccccc1)C(F)(F)F
SubComponent,Please substitute a O=C(CCC1CCCC1)NCC1(CCl)CC1 in the molecule halo with a hydroxyl.,O=C(CCC1CCCC1)NCC1(CO)CC1
DelComponent,Please remove a benzene ring from the molecule Cc1ccccc1-c1c(C2(C)CCCC2)noc1N.,Cc1c(C2(C)CCCC2)noc1N
LogP,Please modify the molecule N#Cc1ccc(N2CCC(NC(=O)CCC[NH+]3CCN(c4ccc(C(F)(F)F)cc4)CC3)CC2)cc1C(F)(F)F to decrease its LogP value.,N#Cc1ccc(N2CCC(NC(=O)CCC[NH+]3CCN(c4ccc(C(F)(F)NO)cc4)CC3)CC2)cc1C(F)(F)F
MR,Modify the molecule CC1[NH2+]CCC1C(=O)N1CCCC(CNS(N)(=O)=O)C1 to have a lower MR value.,CC1[NH2+]CCC1C(=O)N1CCCC(CS(N)(=O)=O)C1
QED,Modify the molecule c1cc2ncc3[nH]nc(N4CCOCC4)c3c2cc1N1CCOCC1 to decrease its QED value.,O=CCc1cc(N2CCOCC2)cc2c1ncc1[nH]nc(N3CCOCC3)c12
AtomNum,"Please generate a molecule consisting 19 carbon atoms, and 2 oxygen atoms.",CCCCCCC(CO)(CCCCCC)C(O)C(C)(C)C
BondNum,"The molecule contains 11 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",COc1cccc(-c2nc(COC(=O)Cc3ccc(Cl)cc3)cs2)c1OC
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,COc1ccccc1N1CC[NH+](Cc2c[nH+]c(-c3ccc4c(c3)CCO4)[nH]2)CC1
AddComponent,Add a thiol to the molecule CC(CC(=O)c1cnccn1)C1CCC[NH2+]C1.,CC(CC(=O)c1nccnc1S)C1CCC[NH2+]C1
SubComponent,Substitute a hydroxyl in the molecule Nc1nc(=O)c2c(ncn2C2OC3COP(=O)([O-])OC4C(COP(=O)([O-])OC3C2O)OC(n2ccc(=O)[nH]c2=O)C4O)[nH]1 with a thiol.,Nc1nc(=O)c2c(ncn2C2OC3COP(=O)([O-])OC4C(COP(=O)([O-])OC3C2S)OC(n2ccc(=O)[nH]c2=O)C4O)[nH]1
DelComponent,Modify the molecule halo by removing a Cc1c(-c2cccc(C(=O)[O-])c2)ccc(F)c1OS(=O)(=O)C(F)(F)F.,Cc1c(-c2cccc(C(=O)[O-])c2)ccc(F)c1OS(=O)(=O)C(F)F
LogP,Please modify the molecule Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)NC(C)C)CC1 to decrease its LogP value.,Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2ccc(S)cc2C(=O)NC(C)C)CC1
MR,Modify the molecule CC(C)(C)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2F)cc1 to increase its MR value.,CC(C)(C)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2NO)cc1
QED,Modify the molecule O=C(COc1c(Br)cccc1Br)Nc1ccnn1C1CCCC1 to decrease its QED value.,ONc1cccc(Br)c1OCC(=O)Nc1ccnn1C1CCCC1
AtomNum,"There is a molecule composed of 18 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CC(c1ccccc1)[NH+]1CCC(NC(=O)NCc2cccs2)C1
BondNum,"Please generate a molecule with 12 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",C[NH2+]Cc1cnc(C(O)(c2ccccc2)C2CCCC2)o1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 1 thioether group, and 1 sulfide group.",COc1ccc(-n2c(SCC(=O)N3CCN(C(=O)N(C)C)C(C)C3)nnc2-c2ccc(C)cc2)cc1
AddComponent,Please add a hydroxyl to the molecule COc1cc(CCC(=O)Oc2cccc3ccccc23)cc(OC)c1OC.,COc1cc(CCC(=O)Oc2c(O)ccc3ccccc23)cc(OC)c1OC
SubComponent,Please substitute a halo in the molecule CC[NH2+]Cc1cccc(Cl)c1N(C)c1cccc(F)c1 with a hydroxyl.,CC[NH2+]Cc1cccc(O)c1N(C)c1cccc(F)c1
DelComponent,Modify the molecule amine by removing a Cc1ccc(COc2ccc(Cl)cc2CNn2c(-c3ccncc3)n[nH]c2=S)cc1.,Cc1ccc(COc2ccc(Cl)cc2Cn2c(-c3ccncc3)n[nH]c2=S)cc1
LogP,Please optimize the molecule CC(C)C(CO)[NH2+]Cc1nc(-c2cccc(F)c2F)ccc1F to have a higher LogP value.,CC(C)C(C)[NH2+]Cc1nc(-c2cccc(F)c2F)ccc1F
MR,Please optimize the molecule CCC(OC(=O)c1cccnc1Cl)C(=O)Nc1ccccc1OC to have a higher MR value.,CCC(OC(=O)c1cccnc1NO)C(=O)Nc1ccccc1OC
QED,Please optimize the molecule CC(C)CC(CO)NC(=O)c1cc(N)cn1C1CC1 to have a lower QED value.,CC(C)CC(CC(=O)[OH])NC(=O)c1cc(N)cn1C1CC1
AtomNum,"The molecule has 28 carbon atoms, 12 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",CCN1CCN(N(C=O)C(C(=O)NC2(C(=O)[O-])N3C(=O)C(NC=O)C3SC2(C)C)c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)C1=O
BondNum,"Please generate a molecule with 23 single bonds, 2 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccncc1)C(=O)NC1c2ccccc2CC1O
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, 3 halo groups, and 1 sulfide group.",COC1(C(O)c2cnc(C(F)(F)F)s2)CCCCC1
AddComponent,Add a carboxyl to the molecule Cn1cc(N2CCCC([NH+]3CCN(CC(=O)NC4CCCCC4)CC3)C2=O)cn1.,Cn1cc(N2CCCC([NH+]3CCN(CC(=O)NC4CCCCC4)CC3C(=O)O)C2=O)cn1
SubComponent,Please substitute a COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)CC1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(OC)c(C(=O)N2CCC(C(=O)Nc3ccc(-n4ccc(C(N)=O)n4)cc3)CC2)c1
DelComponent,Remove a benzene ring from the molecule COC(=O)C(C)=CCCCCc1ccccc1.,CCCCC=C(C)C(=O)OC
LogP,Modify the molecule COC(=O)c1ccc2c(c1)NC(=O)c1ccccc1N2CCO to have a higher LogP value.,CC(=O)CCN1c2ccc(C(=O)OC)cc2NC(=O)c2ccccc21
MR,Optimize the molecule FC(F)(F)c1cccc(-c2noc(COc3ccc(-c4nnco4)cc3)n2)c1 to have a lower MR value.,FC(F)(F)c1noc(COc2ccc(-c3nnco3)cc2)n1
QED,Please modify the molecule CC(=O)Nc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c3ccccc32)cc1 to increase its QED value.,CC(=O)Nc1ccc(NC(=O)Cn2cc(S(C)(=O)=O)c3ccccc32)cc1
AtomNum,"The molecule is composed of 32 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",Cc1cc(C(=O)NC2CCCCC2C)ccc1NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(N)=O)cc2C)CC1
BondNum,"Please generate a molecule consisting 12 single bonds, 3 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",CS(=O)(=O)N1CCN(C(=O)Cc2cc(Br)cs2)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 amine groups.",CCCOc1ccc2c(c1)NP(=O)(Oc1ccccc1)N2
AddComponent,Add a benzene ring to the molecule CCOc1ccccc1OCCCC(=O)Cl.,CCOc1ccc(-c2ccccc2)cc1OCCCC(=O)Cl
SubComponent,Please substitute a C[N+](CCc1ccc(Cl)c(Cl)c1)(C1CC1)C1CCCCC1N1CCCC1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(CC[N+](C)(C2CC2)C2CCCCC2N2CCCC2)cc1Cl
DelComponent,Please remove a halo from the molecule [NH3+]C(CCc1cccs1)Cc1ccccc1F.,[NH3+]C(CCc1cccs1)Cc1ccccc1
LogP,Modify the molecule O=C([O-])C1CCC(Oc2nc3nc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)CC1 to decrease its LogP value.,CC(=O)c1cc2[nH]c(OC3CCC(C(=O)[O-])CC3)nc2nc1-c1ccc(-c2ccccc2)cc1
MR,Please modify the molecule COc1ccc(C2ON(C(=O)Nc3ccccc3)c3ccccc3CN2C(=O)Nc2ccccc2)cc1 to increase its MR value.,COc1ccc(C2ON(C(=O)Nc3ccccc3)c3ccccc3CN2C(=O)Nc2ccccc2N)cc1
QED,Please optimize the molecule CC(C)c1ccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 to have a lower QED value.,CC(C)NC(=O)N1CC[NH+](CCc2cccs2)CC1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, 1 fluorine atom, and 1 iodine atom.",Cc1ccsc1CNC(=O)c1ccc(F)cc1I
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COc1cc(C(=O)N2CCCC2)cc(Cl)c1OCC(N)=O
FunctionalGroup,There is a molecule consisting of and 1 hydroxyl group.,Cn1nc(C(O)C2CCOC3(CCC3)C2)c2ccccc21
AddComponent,Modify the molecule CCOC(=O)c1sc(C(=O)OCC)c(OC(=O)N(C)C)c1C by adding a hydroxyl.,CCOC(=O)c1sc(C(=O)OC(C)O)c(C)c1OC(=O)N(C)C
SubComponent,Modify the molecule nitrile by substituting a Cc1[nH]c2cccc(C#N)c2c1[N+](=O)[O-] with a nitro.,Cc1[nH]c2cccc(NO)c2c1[N+](=O)[O-]
DelComponent,Modify the molecule amine by removing a COc1ccc(NCc2ccccc2C(F)(F)F)cc1Cl.,COc1ccc(Cc2ccccc2C(F)(F)F)cc1Cl
LogP,Modify the molecule CCOCC(C)([NH3+])c1noc(COCCOC)n1 to increase its LogP value.,CCOCC(C)([NH3+])c1noc(COCC(OC)c2ccccc2)n1
MR,Please modify the molecule CCCC(O)C(C)([NH3+])C1CCCCC1 to decrease its MR value.,CCCCC(C)([NH3+])C1CCCCC1
QED,Please modify the molecule N#CC(CSCC1CCCC1)C(F)(F)F to decrease its QED value.,N#CC(CSCC1CCCC1)C(F)F
AtomNum,"Please generate a molecule with 10 carbon atoms, and 8 oxygen atoms.",C=C(C)C(=O)OCC(O)(O)OOOC(=O)C(=C)C
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",COCC(C)NC(=O)COc1ccccc1I
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 1 hydroxyl group, 1 amide group, 1 amine group, and 1 halo group.",O=C(NNCC[NH+]1CCOCC1)C1(Cc2ccc(Br)cc2)N=C(c2ccc(OCCCO)cc2)OC1c1ccccc1
AddComponent,Modify the molecule O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC(=O)NCC(F)(F)F by adding a benzene ring.,O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1)NCC(=O)NCC(F)(F)F
SubComponent,Please substitute a halo in the molecule O=C(CCCCl)Nc1ccccc1-c1nc(-c2ccco2)no1 with a nitrile.,N#CCCCC(=O)Nc1ccccc1-c1nc(-c2ccco2)no1
DelComponent,Please remove a halo from the molecule COc1ccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)NC(=O)C(C)(C)C)cc1.,COc1ccc(C(Oc2ccc3c(cnn3-c3ccccc3)c2)C(C)NC(=O)C(C)(C)C)cc1
LogP,Please optimize the molecule CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 to have a lower LogP value.,CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2ccc(O)cc2Cl)CC1
MR,Optimize the molecule C[NH2+]C(COC(C)C)c1ccc(C)c(C)c1OC to have a lower MR value.,CCC(COC(C)C)([NH2+]C)OC
QED,Please modify the molecule CC(=O)N(C)CC(=O)Nc1cccc(CCCO)c1 to decrease its QED value.,CC(=O)N(C)CC(=O)Nc1ccc(N)c(CCCO)c1
AtomNum,"There is a molecule composed of 10 carbon atoms, 4 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",Cc1ccc(-n2nnnc2C(C)Cl)c(F)c1
BondNum,"There is a molecule consisting of 9 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Cc1nc(C)n(CCC(=O)Nc2ccc(Cl)c(Cl)c2)n1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",Cc1cccc(C(=O)NC(C)CCBr)c1C
AddComponent,Please add a benzene ring to the molecule COC(=O)c1c(C(C)C)nc(-c2ccc(C(F)(F)F)cc2)n1C.,COC(=O)c1c(C(C)Cc2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1C
SubComponent,Please substitute a halo in the molecule COc1ccc2c(c1)C(=c1c(O)c(Br)c(=C3C(c4ccc(C)cc4)=Nc4ccccc43)c(O)c1Br)C(C)=N2 with a thiol.,COc1ccc2c(c1)C(=c1c(O)c(S)c(=C3C(c4ccc(C)cc4)=Nc4ccccc43)c(O)c1Br)C(C)=N2
DelComponent,Modify the molecule amine by removing a CCCCc1c(C)nc(N)nc1NCc1nc(N)n[nH]1.,CCCCc1c(C)nc(N)nc1NCc1ncn[nH]1
LogP,Modify the molecule CC(N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(Oc2ncccn2)cc1 to decrease its LogP value.,CC(N=C1NS(=O)(=O)c2ccccc21)C(=O)NOc1ncccn1
MR,Please optimize the molecule CCCCCCN1CC2(CCCC2)[NH2+]CC1C(C)C to have a higher MR value.,CCCCCCN1CC2(CCCC2)[NH2+]CC1C(C)(C)c1ccccc1
QED,Optimize the molecule O=C([O-])c1c(Cl)ccc2c1C1CCCCC1O2 to have a higher QED value.,O=C([O-])c1c(Cl)ccc2c1C1CCCCC1(C(=O)O)O2
AtomNum,"There is a molecule with 22 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",[NH3+]C(CC(=O)[O-])c1nnc(-c2ccc(OCCCCOc3ccccc3)c(C(F)(F)F)c2)s1
BondNum,"There is a molecule consisting of 14 single bonds, 3 double bonds, 11 rotatable bonds, and 12 aromatic bonds.",CC(=O)c1ccc(C(=O)NCc2ccccc2OCCCCCC(=O)[O-])cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amide groups, and 1 halo group.",CNC(=O)c1cncc(C=CC(=O)NCCCc2cccc(Br)c2)c1
AddComponent,Add a hydroxyl to the molecule COc1cc(C)nc(N2CCCC2c2ccc3c(c2)OCCO3)n1.,COc1cc(C)nc(N2CCCC2(O)c2ccc3c(c2)OCCO3)n1
SubComponent,Substitute a halo in the molecule O=C1CSC(c2c(F)cccc2F)N1c1cc(Cl)ccn1 with a hydroxyl.,O=C1CSC(c2c(O)cccc2F)N1c1cc(Cl)ccn1
DelComponent,Please remove a amide from the molecule CC(C)(C)c1nc2ccc(NC(=O)CCOC3CCOCC3)cc2[nH]1.,CC(C)(C)c1nc2ccc(COC3CCOCC3)cc2[nH]1
LogP,Please modify the molecule COc1cc(C)ccc1C(=O)Cc1c(Cl)cccc1Cl to decrease its LogP value.,COc1cc(C)ccc1C(=O)Cc1ccccc1Cl
MR,Please optimize the molecule Cc1ccc(S(=O)(=O)OC(C#N)CO[Si](C)(C)C(C)(C)C)cc1 to have a lower MR value.,Cc1ccc(S(=O)(=O)OCCO[Si](C)(C)C(C)(C)C)cc1
QED,Modify the molecule COCC[NH2+]C(C)c1ccc(O)cc1 to increase its QED value.,COCC[NH2+]C(C)c1ccc(C(=O)[OH])cc1
AtomNum,"There is a molecule with 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CC1CCc2sc(C(=O)NNS(=O)(=O)Cc3ccccc3)cc2C1
BondNum,"The molecule is composed of 8 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C(C#N)c1cccc(F)c1F
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 hydroxyl group, and 1 amine group.",Cc1ccc(NCc2cccc(OC(C)C)c2)c(C)c1O
AddComponent,Please add a thiol to the molecule CN(CCCC(=O)OC12CCCCC1CCCC2)c1ccc(C2=C(O)C(=C3C=CC(=[N+](C)CCCC(=O)OC45CCCCC4CCCC5)C=C3)C2=O)cc1.,CN(CCCC(=O)OC12CCCCC1CCCC2)c1ccc(C2=C(O)C(=C3C=CC(=[N+](C)CCCC(=O)OC45CCCCC4CCCC5)C(S)=C3)C2=O)cc1
SubComponent,Please substitute a halo in the molecule CS(=O)(=O)N(CC=Cc1ccc(Cl)cc1)Cc1ccccn1 with a hydroxyl.,CS(=O)(=O)N(CC=Cc1ccc(O)cc1)Cc1ccccn1
DelComponent,Modify the molecule benzene ring by removing a CNC(=O)N(C(C)C)[NH+]1CC(=O)N2C(Cc3ccc(OCC(=O)OC)cc3)C(=O)N(Cc3cccc4ccccc34)CC21.,CNC(=O)N(C(C)C)[NH+]1CC(=O)N2C(COCC(=O)OC)C(=O)N(Cc3cccc4ccccc34)CC21
LogP,Modify the molecule COc1ccc2cnc(C3CCCN(C(=O)c4cccc(F)c4)C3)cc2c1C to have a higher LogP value.,CC(=O)c1cccc(C(=O)N2CCCC(c3cc4c(C)c(OC)ccc4cn3)C2)c1
MR,Optimize the molecule CC(C)(CC[NH2+]Cc1ccc(Oc2cnccn2)cc1)C(=O)[O-] to have a lower MR value.,CC(C)(CC[NH2+]COc1cnccn1)C(=O)[O-]
QED,Please modify the molecule O=c1[nH]c2c(c(=O)[nH]1)NC=CN2 to increase its QED value.,O=c1[nH]c2c(c(=O)[nH]1)NC=C2
AtomNum,"The molecule is composed of 11 carbon atoms, 5 oxygen atoms, 7 nitrogen atoms, and 3 sulfur atoms.",NS(=O)(=O)CCC(Sc1nn[n-]n1)C1=C(C(=O)[O-])N2C(=O)C([NH3+])C2SC1
BondNum,"The molecule has 6 single bonds, 2 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
FunctionalGroup,There is a molecule with and 1 ester group.,CCOC(=O)Cc1c(C)n(C2C[NH2+]CC2CC2CCCC2)c2ccccc12
AddComponent,Modify the molecule Cc1ccc2nc(COCC(=O)N3CCC4(CC3)CC(C)(O)C(n3cnc5c(N)nc(N)nc53)CO4)[nH]c2c1 by adding a amine.,Cc1ccc2nc(COCC(=O)N3CCC4(CC3)CC(O)(CN)C(n3cnc5c(N)nc(N)nc53)CO4)[nH]c2c1
SubComponent,Please substitute a halo in the molecule Nc1ccc(Oc2ncnc(N)c2C=O)cc1Br with a thiol.,Nc1ccc(Oc2ncnc(N)c2C=O)cc1S
DelComponent,Remove a amine from the molecule C[NH+]1Cc2cnc(NCCC#N)cc2C1.,C[NH+]1Cc2cnc(CCC#N)cc2C1
LogP,Modify the molecule CS(=O)(=O)C1=CC=C(c2cc(Br)cc(-c3ccccc3)c2)NC1 to decrease its LogP value.,CS(=O)(=O)C1=CC=C(c2cc(C#N)cc(-c3ccccc3)c2)NC1
MR,Please modify the molecule COCCC[NH2+]C1CCCC1CCl to decrease its MR value.,COCCC[NH2+]C1CCCC1C
QED,Please modify the molecule CCCc1ccc(-c2ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c2F)cc1 to increase its QED value.,CCCc1ccc(-c2ccc(OS(=O)(=O)C(F)(F)NO)c(Cl)c2F)cc1
AtomNum,"There is a molecule with 15 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",Cc1cc(C)c(C)c(OCCCC(C)(O)C[NH3+])c1
BondNum,"There is a molecule with 13 single bonds, 3 double bonds, 10 rotatable bonds, and 24 aromatic bonds.",CCc1ccc(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, and 1 sulfone group.",CC(C)(C)S(=O)(=O)CCN1CCC(=NO)CC1
AddComponent,Modify the molecule CCCCNC(=[NH+]Cc1nnc(C)n1C)N1CCC(c2ccccc2)C1 by adding a benzene ring.,CCCCNC(=[NH+]Cc1nnc(C)n1C)N1CCC(c2ccccc2)C1c1ccccc1
SubComponent,Substitute a CC(Sc1ccc(F)c(F)c1)C(=O)NC1CCCC(C)C1C in the molecule halo with a thiol.,CC(Sc1ccc(S)c(F)c1)C(=O)NC1CCCC(C)C1C
DelComponent,Modify the molecule O=C(NC1CCCOc2ccc(F)cc21)C(c1ccccc1)n1cccn1 by removing a amide.,Fc1ccc2c(c1)C(c1ccccc1)(n1cccn1)CCCO2
LogP,Modify the molecule CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1 to decrease its LogP value.,COc1ccc2c(C3=CCN(C(=O)OC(C)(C)C)CC3)c[nH]c2c1
MR,Modify the molecule CC(C)c1cc(Oc2c(Cl)cc(OCP3(=O)OCCC(c4cccc(Cl)c4)O3)cc2Cl)ccc1O to increase its MR value.,CC(C)c1cc(Oc2c(Cl)cc(OCP3(=O)OCCC(c4cccc(Cl)c4)O3)cc2Cl)ccc1S
QED,Modify the molecule O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC(O)C2)c(-c2[nH]ncc2F)c1 to decrease its QED value.,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC(S)C2)c(-c2[nH]ncc2F)c1
AtomNum,"The molecule contains 41 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 2 fluorine atoms.",Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cc(C(=O)Nc5cc(F)ccc5C)ccc4C)CC3)c2)cc1F
BondNum,"The molecule has 10 single bonds, 3 double bonds, 4 rotatable bonds, and 21 aromatic bonds.",CC1(c2cccc3ccccc23)NC(=O)N(CCn2c(=O)oc3ccccc32)C1=O
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 halo group.",O=C(Nc1cccc(Br)c1)C1CCN(c2ccc(-c3ccncc3)nn2)CC1
AddComponent,Modify the molecule CC1CCN(C(=O)NC2CCCN(C3CCCCC3)C2=O)CCS1 by adding a aldehyde.,CC1CC(CC=O)N(C(=O)NC2CCCN(C3CCCCC3)C2=O)CCS1
SubComponent,Substitute a hydroxyl in the molecule COc1cccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)C2c2cc(OC)ccc2OC)c1 with a nitrile.,COc1cccc(C2=C(C#N)C(=O)N(c3ccccc3N3CCOCC3)C2c2cc(OC)ccc2OC)c1
DelComponent,Please remove a amide from the molecule C#CCCCCNC(=O)CCCCC[NH3+].,C#CCCCCCCCC[NH3+]
LogP,Please modify the molecule CC(C)(C)C(=O)N1CCOC(CCO)C1 to decrease its LogP value.,CC(C)(C)C(=O)N1CCOC(CCNO)C1
MR,Optimize the molecule COc1ccc(N(C=O)C(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cn1 to have a higher MR value.,COc1ccc(N(C=O)C(=O)c2cc(C(=O)O)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cn1
QED,Optimize the molecule Cc1ccc(-c2nnc(C(C)N3CCS(=O)CC(C)C3)o2)cc1 to have a lower QED value.,Cc1nnc(C(C)N2CCS(=O)CC(C)C2)o1
AtomNum,"Please generate a molecule with 24 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",NC(=O)c1ccccc1N1CC[NH+](C2CCC3(CC2)OCc2ccccc23)CC1
BondNum,"The molecule has 13 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",Cc1cccc(C[NH+](CCCCCO)C2CC2)c1
FunctionalGroup,The molecule consists of and 1 hydroxyl group.,CC=CC(=CO)C(CCC(=O)[O-])C(C)C
AddComponent,Add a hydroxyl to the molecule Cc1ccccc1OCC(=O)N1CC[NH+](CCc2ccccn2)CC1.,Cc1c(O)cccc1OCC(=O)N1CC[NH+](CCc2ccccn2)CC1
SubComponent,Modify the molecule hydroxyl by substituting a CC(O)C[NH+]1CCC(CN(C)S(=O)(=O)N2CCOC(C)(C)C2)CC1 with a halo.,CC(Cl)C[NH+]1CCC(CN(C)S(=O)(=O)N2CCOC(C)(C)C2)CC1
DelComponent,Remove a amine from the molecule c1nc2cncc(NCC3CC3)n2n1.,c1nc2cncc(CC3CC3)n2n1
LogP,Optimize the molecule CC(C)CC(Nc1cccc(C[NH3+])c1)C(=O)Nc1ccc(N2CCCCC2=O)cc1 to have a lower LogP value.,CC(C)CC(NC[NH3+])C(=O)Nc1ccc(N2CCCCC2=O)cc1
MR,Optimize the molecule CC(=O)CSC1CC1CO to have a lower MR value.,CC(=O)CSC1CC1C
QED,Modify the molecule Cc1cnc(N)c(C(NN)c2cccc(Cl)c2F)c1 to have a lower QED value.,Cc1cnc(N)c(C(NN)c2cccc(NO)c2F)c1
AtomNum,"Please generate a molecule with 24 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCCC[NH+](CC)CCCNC(=O)CS(=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C
BondNum,"Please generate a molecule with 11 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",COc1cccc(C2([NH3+])CCC2)c1C(C)C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",O=C(NOC1CCCCO1)c1ccc(CN2CCc3ccccc32)cc1
AddComponent,Modify the molecule CN(C)c1ccc2c(c1)-c1cccc[n+]1CC2 by adding a carboxyl.,CN(CC(=O)O)c1ccc2c(c1)-c1cccc[n+]1CC2
SubComponent,Substitute a halo in the molecule COc1c(C)cc(Cl)cc1C(=O)Nc1cccc(N2CCCC2)c1 with a carboxyl.,COc1c(C)cc(C(=O)[OH])cc1C(=O)Nc1cccc(N2CCCC2)c1
DelComponent,Modify the molecule amide by removing a O=C([O-])CSCC(=O)NCc1ccc(C(=O)[O-])cc1.,O=C([O-])CSCc1ccc(C(=O)[O-])cc1
LogP,Modify the molecule Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 to have a lower LogP value.,Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1cc(Cl)no1
MR,Optimize the molecule CCN(CC)C(=O)c1ccc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4cc(F)ccc4C)c3C)CC2)c(C)c1 to have a higher MR value.,CCN(CC)C(=O)c1ccc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4cc(O)ccc4C)c3C)CC2)c(C)c1
QED,Please optimize the molecule CNc1ccc(NS(=O)(=O)C(C)C#N)cc1 to have a lower QED value.,CNc1ccc(NS(=O)(=O)C(C)O)cc1
AtomNum,"There is a molecule with 12 carbon atoms, 1 nitrogen atom, and 2 chlorine atoms.",Clc1cccc(Nc2ccccc2Cl)c1
BondNum,"Please generate a molecule consisting 20 single bonds, 3 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",COc1cc(C)cc(CNC(=O)C2(Cc3ccccc3)OC(=O)N(C3CCCc4ccccc43)C2=O)c1
FunctionalGroup,Please generate a molecule composed of and 2 amine groups.,Nc1ccc(N=Nc2cc(N=Nc3ccc(N=Nc4ccc(N)c5ccccc45)c4ccccc34)cc3ccccc23)c2ccccc12
AddComponent,Add a amine to the molecule CC(C)C(C)(C)CNC(=O)c1cccc(NN)n1.,CC(C)C(C)(C)C(N)NC(=O)c1cccc(NN)n1
SubComponent,Please substitute a O=C([O-])c1cccc(N2CCCC(F)(CO)C2)n1 in the molecule hydroxyl with a nitro.,ONCC1(F)CCCN(c2cccc(C(=O)[O-])n2)C1
DelComponent,Modify the molecule COc1ccccc1NC(=O)Cc1noc(Cn2nnc(-c3cccc(F)c3)n2)n1 by removing a halo.,COc1ccccc1NC(=O)Cc1noc(Cn2nnc(-c3ccccc3)n2)n1
LogP,Modify the molecule COc1ccc2c(c1)C(CNC(=O)c1ccc(F)c(NC(=O)c3c[nH+]c4ccc(C)cn34)c1)C(O)C2 to have a lower LogP value.,COc1ccc2c(c1)C(CNC(=O)c1cccc(NC(=O)c3c[nH+]c4ccc(C)cn34)c1)C(O)C2
MR,Modify the molecule Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2cccc(C(=O)NC(C)C)c2)CC1 to have a higher MR value.,Cc1ccc(C(=O)Nc2ccc(S)cc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2cccc(C(=O)NC(C)C)c2)CC1
QED,Modify the molecule CSCc1nnc(SCc2cccc(F)c2)o1 to decrease its QED value.,CSCc1nnc(SCF)o1
AtomNum,"The molecule is composed of 14 carbon atoms, 1 nitrogen atom, 1 sulfur atom, 1 fluorine atom, 1 chlorine atom, and 1 bromine atom.",CCC([NH2+]C)c1ccc(-c2c(Cl)cc(F)cc2Br)s1
BondNum,"Please generate a molecule with 21 single bonds, 2 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",CC(C)Oc1nc(-c2ccc(F)cc2)c(C2CC2)cc1C[NH+]1CCC(n2ccc(C(=O)[O-])cc2=O)CC1
FunctionalGroup,"Please generate a molecule composed of 2 amide groups, and 3 halo groups.",O=C(NCCCc1ccc2c(c1)OCO2)C1CCN(C(=O)C(F)(F)F)CC1
AddComponent,Please add a carboxyl to the molecule CC(=O)c1cccc(NC(=O)CCOCC2CCCO2)c1.,CC(=O)c1cc(NC(=O)CCOCC2CCCO2)cc(C(=O)O)c1
SubComponent,Modify the molecule COc1c(Br)cc(C)c(C)c1CCC#N by substituting a halo with a carboxyl.,COc1c(C(=O)[OH])cc(C)c(C)c1CCC#N
DelComponent,Modify the molecule halo by removing a OC(C[NH2+]Cc1cncs1)c1ccc(OC(F)F)cc1.,OC(C[NH2+]Cc1cncs1)c1ccc(OCF)cc1
LogP,Please modify the molecule COCC(C)n1c(C)cc(C=C(C#N)C(=O)OCn2nnc3ccccc3c2=O)c1C to increase its LogP value.,COCC(C)n1c(C)cc(C=C(C#N)C(=O)OCn2nnc3cc(-c4ccccc4)ccc3c2=O)c1C
MR,Please optimize the molecule COc1ccc(Cl)cc1NC1=[NH+]C(=O)C(=Cc2c3ccccc3cc3ccccc23)S1 to have a higher MR value.,COc1ccc(Cl)c(C(=O)O)c1NC1=[NH+]C(=O)C(=Cc2c3ccccc3cc3ccccc23)S1
QED,Please optimize the molecule CCCOC(=O)CCC(=O)OC(C)CCC to have a higher QED value.,CCCOC(=O)CC(C(=O)OC(C)CCC)c1ccccc1
AtomNum,"The molecule contains 13 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCNc1nc(C)nc(OCCC(C)C)c1C
BondNum,"The molecule contains 12 single bonds, 1 double bond, and 2 rotatable bonds.",COC(=O)N1CC[NH+](CCS)CC1
FunctionalGroup,The molecule has and 1 hydroxyl group.,COC(C)Oc1ccc(OCC(O)C[NH2+]C(C)(C)C)c2ccc(=O)[nH]c12
AddComponent,Modify the molecule CC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21 by adding a hydroxyl.,CC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)C(O)C21
SubComponent,Substitute a halo in the molecule CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C#N)ccc21 with a nitrile.,CCCn1c(Cn2ccnc2-c2cccc(C#N)n2)nc2cc(C#N)ccc21
DelComponent,Remove a benzene ring from the molecule C#CCOCC(O)C[NH+]1CCN(Cc2ccccc2)CC1.,C#CCOCC(O)C[NH+]1CCN(C)CC1
LogP,Modify the molecule Cc1cc(C(=O)N2CCC(=O)Nc3ccccc32)no1 to increase its LogP value.,Cc1on2CCC(=O)Nc3ccccc3-c1-2
MR,Please optimize the molecule CCC(c1ccccc1)(c1ccncc1)c1ccc(Br)cc1 to have a lower MR value.,CCC(Br)(c1ccccc1)c1ccncc1
QED,Modify the molecule O=c1nc(CSc2n[nH]c(C=Cc3ccc(F)cc3)n2)[nH]c2ccsc12 to have a higher QED value.,O=c1nc(CSc2n[nH]c(C=Cc3ccccc3)n2)[nH]c2ccsc12
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 2 oxygen atoms, and 6 fluorine atoms.",Cc1ccc(C(O)COC(C(F)(F)F)C(F)(F)F)cc1C
BondNum,"There is a molecule consisting of 15 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(CCNC(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 amine groups, 1 halo group, and 2 sulfone groups.",O=S(=O)(NC1=NCCCCC1)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
AddComponent,Add a carboxyl to the molecule CCNC(NCCCCCCC[NH+](C)C)=[NH+]Cc1ccc(OC)cc1.,CCNC(NCCCCCCC[NH+](C)C)=[NH+]Cc1ccc(OC)c(C(=O)O)c1
SubComponent,Please substitute a halo in the molecule [NH3+]Cc1csc(-c2cccc(Br)c2F)n1 with a thiol.,[NH3+]Cc1csc(-c2cccc(S)c2F)n1
DelComponent,Please remove a halo from the molecule Cc1cc(C)cc(N(C)c2ccc(CCl)cc2C)c1.,Cc1cc(C)cc(N(C)c2ccc(C)cc2C)c1
LogP,Modify the molecule Cn1cnc(-c2c(F)cccc2Cl)n1 to decrease its LogP value.,Cn1nc(-c2c(F)cccc2Cl)nc1C(=O)O
MR,Please optimize the molecule CCC(CC1CC1)N1C(=O)C2CCCN2C(=O)C1C(C)C to have a higher MR value.,CCC(CC1CC1)N1C(=O)C2CCCN2C(=O)C1(O)C(C)C
QED,Modify the molecule Cc1cc(F)ccc1Nc1ccc(N)c(OC(C)C)n1 to have a higher QED value.,Cc1cc(F)ccc1-c1ccc(N)c(OC(C)C)n1
AtomNum,"There is a molecule with 13 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 chlorine atom.",CC(c1ccc(Cl)cc1)N(C)C(=O)c1cn[nH]c1
BondNum,"Please generate a molecule consisting 8 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCN(C)c1cnn(CCC(=O)[O-])c(=O)c1
FunctionalGroup,The molecule consists of and 1 nitrile group.,Cc1ccnc(N2CC3CCCC(C3)C2)c1C#N
AddComponent,Add a benzene ring to the molecule O=C([O-])CCC[NH2+]CC1CC2C=CC1C2.,O=C([O-])CCC([NH2+]CC1CC2C=CC1C2)c1ccccc1
SubComponent,Please substitute a halo in the molecule O=C([NH+]=C1[NH+]=C2C=CC(Br)=CN2Cc2ccccc21)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] with a nitro.,ONC1=CN2Cc3ccccc3C(=[NH+]C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[NH+]=C2C=C1
DelComponent,Remove a amide from the molecule CC(C)Oc1cc2ccccc2cc1C=C1SC(Nc2cccc(CC(=O)[O-])c2)=[NH+]C1=O.,CC(C)Oc1cc2ccccc2cc1CC(S)Nc1cccc(CC(=O)[O-])c1
LogP,Modify the molecule CCCCCC(C)NC(=O)c1cccnc1NCC to decrease its LogP value.,CCCCCC(C)(NC(=O)c1cccnc1NCC)C(=O)O
MR,Modify the molecule N#Cc1ncn(Cc2cncc(Br)c2)n1 to increase its MR value.,N#Cc1ncn(Cc2cc(Br)cnc2-c2ccccc2)n1
QED,Optimize the molecule CCC1CCCCCN1c1nc(Cl)c(C(=O)OC)s1 to have a lower QED value.,CCC1CCCCCN1c1ncc(C(=O)OC)s1
AtomNum,"There is a molecule composed of 28 carbon atoms, 6 oxygen atoms, and 1 sulfur atom.",COc1cc(OCC(=O)[O-])c(C=CC(=O)c2ccc3c(c2)CCO3)cc1-c1cc2ccccc2s1
BondNum,"The molecule consists of 136 single bonds, 40 double bonds, 79 rotatable bonds, and 65 aromatic bonds.",CCC(C)C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(N)CCCCNC(=O)CCCN(C)S(=O)(=O)c1ccc2ccc3c(c2c1)C(C)(C)C(C=CC=CC=C1N(CCCS(=O)(=O)O)c2ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c2C1(C)C)=[N+]3CCCS(=O)(=O)O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCCNC(=O)CCCN(C)S(=O)(=O)c1ccc2ccc3c(c2c1)C(C)(C)C(C=CC=CC=C1N(CCCS(=O)(=O)O)c2ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c2C1(C)C)=[N+]3CCCS(=O)(=O)O)C(=O)NC
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, and 2 halo groups.",CC(NC(=O)CCNC(=O)c1cc(F)ccc1Br)c1nc2ccccc2[nH]1
AddComponent,Modify the molecule C=CCn1c(=O)c(C(=O)OCCCC)c([O-])c2cc(OC)c(OC)cc21 by adding a amine.,C=CCn1c(=O)c(C(=O)OC(N)CCC)c([O-])c2cc(OC)c(OC)cc21
SubComponent,Please substitute a CCc1cnc(C(C)Nc2ccc(C#N)c(Br)c2F)s1 in the molecule nitrile with a hydroxyl.,CCc1cnc(C(C)Nc2ccc(O)c(Br)c2F)s1
DelComponent,Please remove a CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)cc4OC)ncn3n2)cc1 from the molecule amide.,CCOc1ccc(-c2cc3c(=O)n(-c4ccc(OC)cc4OC)ncn3n2)cc1
LogP,Modify the molecule CC(OC(=O)CC1CC(COc2ccc(-c3ccc(C(N)=[NH+]C(=O)OCc4ccccc4)cc3)cc2)NC1=O)OC(=O)OC1CCCCC1 to have a higher LogP value.,CC(OC(=O)CC1CC(COc2ccc(-c3ccc(C=[NH+]C(=O)OCc4ccccc4)cc3)cc2)NC1=O)OC(=O)OC1CCCCC1
MR,Modify the molecule CCCn1c(=O)n(CCC(=O)Nc2cc(C(=O)OC)c(F)cc2F)c2ccccc21 to have a higher MR value.,CCCn1c(=O)n(CCC(=O)Nc2cc(C(=O)OC)c(C(=O)[OH])cc2F)c2ccccc21
QED,Modify the molecule CCCCCCCNc1cc(Br)cnc1Cl to increase its QED value.,CCCCCCCNc1cncc(Br)c1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCC[NH2+]C(c1cccc2cnccc12)C1CCCO1
BondNum,"The molecule has 7 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCn1ncnc1CCCCO
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 4 halo groups.",CCCCCCCOc1ccc(C2CCC(COc3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1F
AddComponent,Please add a benzene ring to the molecule CCOC(Cn1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)nn1)OCC.,CCOC(Cn1cc(C(=O)N(Cc2cc(-c3ccccc3)ccc2C(F)(F)F)C2CC2)nn1)OCC
SubComponent,Substitute a CCOC(=O)C(c1ccccc1)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S in the molecule halo with a nitrile.,CCOC(=O)C(c1ccccc1)N1C(=O)C(=Cc2ccc(OCc3ccc(C#N)cc3)cc2)SC1=S
DelComponent,Please remove a CC(C)Oc1ccccc1CNc1ccc([N+](=O)[O-])c2cnccc12 from the molecule amine.,CC(C)Oc1ccccc1Cc1ccc([N+](=O)[O-])c2cnccc12
LogP,Modify the molecule CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2C2CCCC2)cc1 to have a lower LogP value.,CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccc(C#N)cc3)C(=O)N2C2CCCC2)cc1
MR,Modify the molecule CCCN(CC(=O)Nc1nc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1)C(=O)c1ccc(Cl)c(Cl)c1 to increase its MR value.,CCCN(CC(=O)Nc1nc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1)C(=O)c1ccc(C(=O)[OH])c(Cl)c1
QED,Modify the molecule COC(=O)c1ccc(CS(=O)(=O)N2CCc3ccccc32)cc1 to decrease its QED value.,COC(=O)CS(=O)(=O)N1CCc2ccccc21
AtomNum,"The molecule contains 23 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CCn1c(SC(C)C(=O)Nc2ccccc2C)nc2sc3c(c2c1=O)CCC(C)C3
BondNum,"The molecule contains 12 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",CC(C)(NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
FunctionalGroup,"The molecule consists of 1 amide group, 1 sulfide group, and 1 sulfone group.",O=C(NCc1n[nH]c(=S)n1C1CC1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
AddComponent,Please add a thiol to the molecule CC(C)Oc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1.,CC(C)Oc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(S)c1
SubComponent,Substitute a hydroxyl in the molecule CC(C)CC(CO)NC(=O)c1cc(Cl)cc(Cl)c1I with a thiol.,CC(C)CC(CS)NC(=O)c1cc(Cl)cc(Cl)c1I
DelComponent,Please remove a benzene ring from the molecule O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCCC1.,O=[N+]([O-])N(CC1CCCCC1)S(=O)(=O)N1CCOCC1
LogP,Optimize the molecule COC(=O)C(CC(C)C)N1CC(Oc2cccc(C(C)(C)O)c2F)=CC1=O to have a higher LogP value.,COC(=O)C(CC(C)C)N1CC(Oc2cccc(C(C)(C)O)c2F)=C(c2ccccc2)C1=O
MR,Optimize the molecule CC(C)Cc1ccc(C(C)c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)cc1 to have a higher MR value.,CC(C)Cc1ccc(C(C)c2nc3ccccc3n2CC(=O)N2CCCc3cc(-c4ccccc4)ccc32)cc1
QED,Optimize the molecule CCOc1cc2scc(CCl)c2cc1SC to have a higher QED value.,CCOc1cc2scc(CNO)c2cc1SC
AtomNum,"The molecule is composed of 16 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",O=C(CSC1=Nc2ccccc2CS1)Nc1ccc(Cl)cc1[N+](=O)[O-]
BondNum,"There is a molecule composed of 18 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1cc(C)ccc1S(=O)(=O)C(C1CCC[NH2+]C1)N1CCc2ccccc2C1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, and 2 amide groups.",CCCOc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1
AddComponent,Please add a benzene ring to the molecule CC(=O)N(C)CN=C(N)N[N+](=O)[O-].,CC(=O)N(CN=C(N)N[N+](=O)[O-])Cc1ccccc1
SubComponent,Modify the molecule Fc1c(F)c(F)c(N=Cc2ccccn2)c(F)c1F by substituting a halo with a hydroxyl.,Oc1c(F)c(F)c(N=Cc2ccccn2)c(F)c1F
DelComponent,Modify the molecule Cc1cccc(C)c1NC(=O)C[NH+]1CCN(C(=O)CSC2CCCCC2)CC1 by removing a amide.,Cc1cccc(C)c1NC(=O)C[NH+]1CC[SH](C2CCCCC2)CC1
LogP,Please optimize the molecule O=C(Nc1ccnc2ccc(C(F)(F)F)cc12)c1ccn[nH]1 to have a lower LogP value.,ONC(F)(F)c1ccc2nccc(NC(=O)c3ccn[nH]3)c2c1
MR,Optimize the molecule Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccccc2Cl)cc1C to have a lower MR value.,Cc1ccc(C(=O)NCC(=O)OCC(=O)Cl)cc1C
QED,Please optimize the molecule CCOc1ccc(S(=O)(=O)NCCOC)cc1NC(C)=O to have a lower QED value.,COCCNS(=O)(=O)c1ccc(OCCc2ccccc2)c(NC(C)=O)c1
AtomNum,"The molecule has 31 carbon atoms, 7 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CS(=O)(=O)NC(=O)Cc1ccc(-c2ccc(CCN(CC(O)c3cccnc3)C(=O)[O-])cc2)cc1OC1CCCCC1
BondNum,"There is a molecule composed of 17 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",C[NH+]=C(NCc1ccsc1)NCC1([NH2+]C(C)c2ccccc2)CCOCC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 2 halo groups, 2 thioether groups, and 2 sulfide groups.",O=C(NCc1cc(F)cc(F)c1)c1csc(-c2ccc(N3CCSCC3)nc2)n1
AddComponent,Please add a hydroxyl to the molecule Cc1csc(CCNS(=O)(=O)c2cccc(C#N)c2)n1.,Cc1csc(CCNS(=O)(=O)c2ccc(O)c(C#N)c2)n1
SubComponent,Modify the molecule hydroxyl by substituting a N#CC(=C[NH+](CCO)Cc1ccccc1)C(=O)NCCCC(=O)[O-] with a halo.,N#CC(=C[NH+](CCI)Cc1ccccc1)C(=O)NCCCC(=O)[O-]
DelComponent,Please remove a benzene ring from the molecule CCCCOc1cccc(C(=O)N(Cc2ccncc2)c2ccc(C(=O)OCC)cc2)c1.,CCCCOc1cccc(C(=O)N(Cc2ccncc2)C(=O)OCC)c1
LogP,Optimize the molecule Cc1ccc2c(Br)c(C3CCC[NH2+]3)[nH]c2c1 to have a lower LogP value.,Cc1ccc2c(O)c(C3CCC[NH2+]3)[nH]c2c1
MR,Please modify the molecule O=[N+]([O-])c1ccc(-c2ccc(C(=S)N3CCOCC3)o2)cc1 to decrease its MR value.,O=[N+]([O-])c1ccc(C(=S)N2CCOCC2)o1
QED,Modify the molecule Cc1ccc(C2(F)CC2[NH3+])cc1 to increase its QED value.,Cc1ccc(C2(F)CC2[NH3+])cc1-c1ccccc1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 sulfur atom.",CC(Sc1n[nH]c(-c2ccccc2)n1)c1nnc(-c2ccccc2)o1
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C(C)NC(=O)CSc2ccc(F)cc2)cc1OC
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, and 1 nitro group.",CC(C)=CC(=O)OC(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1
AddComponent,Add a hydroxyl to the molecule CCC([NH3+])C(O)C(=O)NC1CCCC1.,CC(O)C([NH3+])C(O)C(=O)NC1CCCC1
SubComponent,Substitute a COc1cccc(Cn2nc(C(=O)N(CCC(O)C(=O)[O-])Cc3ccc(-c4ccccc4)cc3)cc2C(=O)[O-])c1 in the molecule hydroxyl with a nitro.,COc1cccc(Cn2nc(C(=O)N(CCC(NO)C(=O)[O-])Cc3ccc(-c4ccccc4)cc3)cc2C(=O)[O-])c1
DelComponent,Remove a halo from the molecule Cc1noc(C2CN(C(=O)NC3CCC(F)C3)CC[NH+]2C)n1.,Cc1noc(C2CN(C(=O)NC3CCCC3)CC[NH+]2C)n1
LogP,Modify the molecule Cn1cc(C[NH2+]Cc2ccc(O)c(O)c2O)cn1 to decrease its LogP value.,Cn1cc(C[NH2+]Cc2c(O)cc(O)c(O)c2O)cn1
MR,Modify the molecule Cc1c[nH]cc1C(=O)NC(c1ccccc1)C(C)(C)CO to increase its MR value.,Cc1c[nH]c(-c2ccccc2)c1C(=O)NC(c1ccccc1)C(C)(C)CO
QED,Modify the molecule COc1ccc(C[NH+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCC(C)C)cs2)c(OC)c1 to have a lower QED value.,COc1ccc(C[NH+](CCc2c[nH]c3cc(C(=O)O)ccc23)Cc2nc(C(=O)NCC(C)C)cs2)c(OC)c1
AtomNum,"There is a molecule composed of 18 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",O=C(NCC[NH+]1CCCCC1)NC1CCN(c2ccccc2)C1
BondNum,"The molecule consists of 24 single bonds, 4 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",O=C1COc2cc(OCC3CC3)cc(c2)C(=O)NC2CN(C(=O)c3ccc(=O)[nH]c3)CC2Oc2ccc(cc2)CN1
FunctionalGroup,"The molecule consists of 3 halo groups, and 1 sulfide group.",CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)[O-])c(Cn3c(Cl)nc(Cl)c3Cl)sc21
AddComponent,Modify the molecule O=C(Cc1ccccc1)NC1CN(c2ccncn2)CC1CO by adding a carboxyl.,O=C(Cc1ccccc1)NC1CN(c2ccnc(C(=O)O)n2)CC1CO
SubComponent,Modify the molecule hydroxyl by substituting a CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)C2c2ccccn2)cc1 with a halo.,CCC(=O)Nc1ccc(N2C(=O)C(Cl)=C(c3ccc(F)cc3)C2c2ccccn2)cc1
DelComponent,Please remove a CC1(C)OC(=O)CC1C(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 from the molecule amine.,CC1(C)OC(=O)CC1C(=O)N1CCC2(CC1)NS(=O)(=O)c1ccccc12
LogP,Modify the molecule CC(=NNC(=O)Cc1cc(=O)[nH][nH]1)c1ccccc1 to decrease its LogP value.,CC(=NNC(=O)Cc1cc(=O)[nH][nH]1)c1cccc(O)c1
MR,Modify the molecule CC(C)N(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)c1ccc2c(c1)OCO2 to increase its MR value.,CC(C)N(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)C#N)c2)c1)C(=O)c1ccc2c(c1)OCO2
QED,Modify the molecule Cc1cc(C[NH+]2CCC(C)(C(=O)[O-])C2)cc(C)c1O to have a lower QED value.,Cc1cc(C[NH+]2CC(O)C(C)(C(=O)[O-])C2)cc(C)c1O
AtomNum,"There is a molecule composed of 10 carbon atoms, and 2 nitrogen atoms.",CC(C)C[NH+](C)C(C)CN(C)C
BondNum,"The molecule consists of 11 single bonds, 4 rotatable bonds, and 46 aromatic bonds.",Cc1cc(-c2cccc3ccccc23)ccc1-c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(-c4cccc5ccccc45)cc3C)ccc1-2
FunctionalGroup,"There is a molecule consisting of 1 amine group, and 1 sulfone group.",COC(=O)N1CCCC(S(N)(=O)=O)C1
AddComponent,Please add a hydroxyl to the molecule NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCC[NH2+]4)CC3)cc2)c1-c1nn[n-]n1.,NS(=O)(=O)c1c(C(F)(F)F)cc(O)c(-c2ccc(C3CCN(CC4CCC[NH2+]4)CC3)cc2)c1-c1nn[n-]n1
SubComponent,Substitute a hydroxyl in the molecule CCC(CO)C[NH+](C)C(C)(C)C with a thiol.,CCC(CS)C[NH+](C)C(C)(C)C
DelComponent,Remove a amine from the molecule CCC(CCO)Nc1ncc(S(N)(=O)=O)s1.,CCC(CCO)c1ncc(S(N)(=O)=O)s1
LogP,Modify the molecule CCC1(CC)CN(Cc2cccc(F)c2)C(C)(CC)C[NH2+]1 to have a lower LogP value.,CCC1(CC)CN(Cc2cccc(C#N)c2)C(C)(CC)C[NH2+]1
MR,Please optimize the molecule COc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO to have a higher MR value.,COc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCC(=O)[OH]
QED,Modify the molecule C[NH+]1CCCN(C2=[NH+]c3ccccc3Oc3ccc(NC(=O)c4ccccc4)cc32)CC1 to have a higher QED value.,C[NH+]1CCCN(C2=[NH+]c3ccccc3Oc3ccc(NC=O)cc32)CC1
AtomNum,"The molecule contains 19 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",COC(=O)CC(NC(=O)c1cccc(C(=O)[O-])c1OC)c1ccc(Cl)cc1
BondNum,"The molecule contains 12 single bonds, 3 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",CN(C)S(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccccc2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 amide group, and 3 halo groups.",CC(C)(NC(=O)CC(F)(F)F)C(C)(C)C(=O)[O-]
AddComponent,Please add a nitrile to the molecule CSCCC(NC(=O)C([NH3+])Cc1cnc[nH]1)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)[O-].,CSCCC(NC(=O)C(CCSC)NC(=O)C([NH3+])(C#N)Cc1cnc[nH]1)C(=O)NC(CO)C(=O)[O-]
SubComponent,Please substitute a nitrile in the molecule CC(C#N)CNC(C)C[NH+]1CCOCC1 with a thiol.,CC(S)CNC(C)C[NH+]1CCOCC1
DelComponent,Modify the molecule halo by removing a O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc(Cl)c1.,O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccccc1
LogP,Optimize the molecule CC(C)CCCC(C)Nc1cc(C(=O)[O-])cc(C(C)C)n1 to have a higher LogP value.,CC(C)CCCC(C)c1cc(C(=O)[O-])cc(C(C)C)n1
MR,Please modify the molecule COCC(C)NC(=O)Nc1ccc(OC(F)F)cc1 to increase its MR value.,COCC(C)NC(=O)Nc1ccc(OC(F)C#N)cc1
QED,Optimize the molecule COc1ccc(C2=CC(c3ccc(N(C)C)cc3OC)=C2)cc1 to have a lower QED value.,COC1=CC(c2ccc(N(C)C)cc2OC)=C1
AtomNum,"Please generate a molecule with 34 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4[nH+]cc(-c5ccc(S(C)(=O)=O)cc5)n4cc3-c3ccccc3)cc2)CCC1
BondNum,"The molecule contains 14 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",C[NH+](C)CCCOc1c(Br)cc(CC[NH+](C)C)cc1Br
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 thioether group, and 1 sulfide group.",COc1ccc(C(SC(=S)N2CCOCC2)c2ccc(OC)cc2)cc1
AddComponent,Please add a hydroxyl to the molecule CC1(c2nc(-c3cc(=O)[nH]c4ccccc34)no2)CCCCCC1.,CC1(c2nc(-c3cc(=O)[nH]c4ccccc34)no2)CCCCCC1O
SubComponent,Modify the molecule halo by substituting a CCCOc1c(C=Cc2cccc(C)n2)cc(Br)cc1OC with a thiol.,CCCOc1c(C=Cc2cccc(C)n2)cc(S)cc1OC
DelComponent,Please remove a COC(=O)C(NOC(=O)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 from the molecule benzene ring.,COC(=O)C(NOC=O)C1CCN(C(=O)OC(C)(C)C)CC1
LogP,Optimize the molecule CCCCCCCCCCCCCCCCCC[NH+]1CCOCCN(c2cccc3c2C(=O)c2c(F)cccc2C3=O)CCOCC1 to have a lower LogP value.,CCC(N)CCCCCCCCCCCCCCC[NH+]1CCOCCN(c2cccc3c2C(=O)c2c(F)cccc2C3=O)CCOCC1
MR,Please optimize the molecule CCCCCCCCCCCCCCCC(=O)C(O)(C(=O)C(O)CCCCCCCCCCCCCCC)[P+](=O)CC(O)CO to have a higher MR value.,CCCCCCCCCCCCCCCC(=O)C(S)(C(=O)C(O)CCCCCCCCCCCCCCC)[P+](=O)CC(O)CO
QED,Modify the molecule CN(CC[NH3+])C(=O)C1CCCO1 to have a lower QED value.,CC1CCOC1C[NH3+]
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CC1CCCC(C)N1C(=S)NCCc1cccc(Cl)c1
BondNum,"There is a molecule consisting of 20 single bonds, 5 double bonds, 14 rotatable bonds, and 6 aromatic bonds.",CC(C=O)C(SCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c1ccccc1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 amine groups, and 1 sulfone group.",Cc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1
AddComponent,Add a benzene ring to the molecule Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCCCC(=O)N2CCN(c3ccccc3F)CC2)cc1.,Cc1ccc(-n2c(Cc3cccc(-c4ccccc4)c3)nnc2SCCCCC(=O)N2CCN(c3ccccc3F)CC2)cc1
SubComponent,Substitute a CC(=O)Nc1ncc(-c2ccc(O)c(C)c2)nc1C in the molecule hydroxyl with a halo.,CC(=O)Nc1ncc(-c2ccc(Cl)c(C)c2)nc1C
DelComponent,Modify the molecule benzene ring by removing a CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C([NH2+]Cc1ccc(OC)cc1)C(=O)NC1c2ccccc2CC1O.,CCC(C)C(NC(=O)OC)C(=O)NC(Cc1ccccc1)C(O)C([NH2+]Cc1ccc(OC)cc1)C(=O)NC1c2ccccc2CC1O
LogP,Modify the molecule Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cc(C)ccc3C)n2)cc1 to decrease its LogP value.,Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cc(C)ccc3C)n2)c(O)c1
MR,Please optimize the molecule CC(O)(CNC(=O)NC1C2C3CCC(C3)C12)c1ccc(F)cc1 to have a higher MR value.,CC(O)(CNC(=O)NC1C2C3CCC(C3O)C12)c1ccc(F)cc1
QED,Modify the molecule CCOc1ccccc1-c1noc(C2CC(=O)N(c3ccc(F)cc3)C2)n1 to increase its QED value.,CCOc1ccccc1-c1noc(C2CC(=O)N(c3ccccc3)C2)n1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, 1 chlorine atom, and 1 bromine atom.",O=C(NCc1cccs1)c1nn2c(Br)cc(-c3ccccc3)cc2c1Cl
BondNum,"The molecule contains 22 single bonds, 4 double bonds, 13 rotatable bonds, and 6 aromatic bonds.",CCOc1ccc(C(=O)NCC(=O)OCC(=O)NC(CC(C)C)C(=O)OC)cc1OCC
FunctionalGroup,"There is a molecule consisting of 4 benzene ring groups, 2 amide groups, and 2 halo groups.",O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1
AddComponent,Please add a benzene ring to the molecule CC(=O)OC(CI)C1OC2OC(C)(C)OC2C1OC(C)=O.,CC(=O)OC(CI)C1OC2OC(C)(Cc3ccccc3)OC2C1OC(C)=O
SubComponent,Substitute a halo in the molecule CC(=O)Nc1ccc(NC(C)c2cccc(Br)c2)cc1C with a aldehyde.,CC(=O)c1cccc(C(C)Nc2ccc(NC(C)=O)c(C)c2)c1
DelComponent,Please remove a O=C(NC1CC1)c1ncncc1Cl from the molecule halo.,O=C(NC1CC1)c1ccncn1
LogP,Optimize the molecule COc1cc(C)ccc1C(=O)C1CCOC2(CCSC2)C1 to have a lower LogP value.,COCC(=O)C1CCOC2(CCSC2)C1
MR,Please optimize the molecule CN1CC(C(=O)NCc2ccc(C(N)=O)o2)C(C(F)(F)F)C1 to have a higher MR value.,CN1CC(C(=O)NCc2ccc(C(N)=O)o2)C(C(F)(F)S)C1
QED,Please optimize the molecule CCOC(=O)C1(C(C)C)CCN(c2ccccc2S(C)(=O)=O)C1 to have a lower QED value.,CCOC(=O)C1(C(C)C)CCN(c2ccc(-c3ccccc3)cc2S(C)(=O)=O)C1
AtomNum,"Please generate a molecule with 21 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",COC(=O)c1c(-c2cccs2)csc1NC(=O)CCCOc1ccc(C)cc1
BondNum,"The molecule has 16 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC1Cc2cc(C(Br)C3CCCCC3(C)C)ccc2O1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",Cc1cc([O-])c(C(c2ccccc2Br)c2c([O-])cc(C)oc2=O)c(=O)o1
AddComponent,Add a nitrile to the molecule CCC([NH3+])C(Oc1cc(Cl)ccc1C)c1ccc(C)o1.,CCC([NH3+])C(Oc1cc(Cl)ccc1C)c1ccc(CC#N)o1
SubComponent,Please substitute a halo in the molecule Cc1cc2nccc(-c3ccccc3)c2c(C)c1I with a nitrile.,Cc1cc2nccc(-c3ccccc3)c2c(C)c1C#N
DelComponent,Please remove a benzene ring from the molecule COc1ccccc1OCCN(C)c1ccccc1C#N.,COOCCN(C)c1ccccc1C#N
LogP,Please modify the molecule Cn1cc(-c2ccccc2)c(Nc2cnccc2C(=O)[O-])n1 to decrease its LogP value.,Cn1cc(-c2ccccc2)c(Nc2cncc(O)c2C(=O)[O-])n1
MR,Please optimize the molecule CCOP(O)Oc1ccc(-c2nc3ccc(N)nc3nc2-c2ccc(O[P+](O)(OCC)OCC)cc2)cc1 to have a higher MR value.,CCOP(NO)Oc1ccc(-c2nc3ccc(N)nc3nc2-c2ccc(O[P+](O)(OCC)OCC)cc2)cc1
QED,Modify the molecule C[NH+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N1CCOCC1 to increase its QED value.,C[NH+](CC(=O)N1CCOCC1)CC1CC[NH2+]C1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 6 oxygen atoms, and 4 nitrogen atoms.",CC(O)C1NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(C(C)O)NC1=O
BondNum,"Please generate a molecule with 13 single bonds, 1 triple bond, and 4 rotatable bonds.",C#CCCCC(O)C1C2CCCC21
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, and 7 halo groups.",FC(F)(F)c1cccc(OCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1Cl
AddComponent,Modify the molecule CCC(C)NC(=O)c1cccc(CNC(=O)Cc2ccccc2C(=O)[O-])c1 by adding a hydroxyl.,CCC(C)NC(=O)c1ccc(O)c(CNC(=O)Cc2ccccc2C(=O)[O-])c1
SubComponent,Please substitute a hydroxyl in the molecule CC(O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCn2ccnc2C1 with a carboxyl.,CC(CN1C(=O)NC2(CCCC2)C1=O)(C(=O)[OH])C(=O)N1CCn2ccnc2C1
DelComponent,Modify the molecule hydroxyl by removing a COc1ccc2c3c1OC1C(OC(=O)CC(OC(=O)OC(C)(C)C)C(=O)OC(C)C(=O)OCC(C)C)=CCC4(O)C(CCCC314)C2.,COc1ccc2c3c1OC1C(OC(=O)CC(OC(=O)OC(C)(C)C)C(=O)OC(C)C(=O)OCC(C)C)=CCC4C(CCCC314)C2
LogP,Please modify the molecule CCC1CCC(N(C)C(=O)C2CCC[NH2+]2)CC1 to decrease its LogP value.,CCC1CCC(N(C)C(=O)C2CCC[NH2+]2)C(O)C1
MR,Optimize the molecule CCOC(=O)CC[NH+](Cc1ccccc1)Cc1c(-c2ccc(OC)cc2)sc2c1c(=O)c(C(=O)OCC)cn2Cc1ccccc1OC to have a lower MR value.,CCOC(=O)CC[NH+](C)Cc1c(-c2ccc(OC)cc2)sc2c1c(=O)c(C(=O)OCC)cn2Cc1ccccc1OC
QED,Modify the molecule Nc1nc(-c2cccc([N+](=O)[O-])c2)nc(C2CC2)n1 to decrease its QED value.,Nc1nc(C2CC2)nc([N+](=O)[O-])n1
AtomNum,"The molecule is composed of 16 carbon atoms, 7 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CCC(C)C(NC(=O)C([NH3+])CS)C(=O)NC(CC(=O)[O-])C(=O)NC(CS)C(=O)[O-]
BondNum,"The molecule contains 18 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CN(Cc1ccccc1OC(F)(F)F)C(=O)CCC1CC[NH2+]CC1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 1 amide group.",COc1ccc(C(=O)N2CCN(c3c(C)cccc3C)CC2)cc1OC
AddComponent,Add a benzene ring to the molecule [NH3+]CC1CCC(C(=O)NC2(CC(=O)[O-])CCC2)CC1.,[NH3+]C(c1ccccc1)C1CCC(C(=O)NC2(CC(=O)[O-])CCC2)CC1
SubComponent,Please substitute a halo in the molecule CC(=O)CCC(=O)NCCNC(=O)c1ccc(Br)cc1 with a hydroxyl.,CC(=O)CCC(=O)NCCNC(=O)c1ccc(O)cc1
DelComponent,Please remove a amide from the molecule CCOc1cc(C)nc(N2CCN(C(=O)c3nccnc3N)CC2)n1.,CCOc1cc(C)nc(N2CCc3(N)nccnC3C2)n1
LogP,Please optimize the molecule O=C([O-])c1cccc(-c2ccc(C(c3ccc(N4C=C(O)NS4(=O)=O)cc3)c3[nH]c(-c4ccc(Cl)cc4Cl)c[nH+]3)cc2)c1 to have a higher LogP value.,O=C([O-])c1cccc(-c2ccc(C(c3ccc(N4C=C(O)S4(=O)=O)cc3)c3[nH]c(-c4ccc(Cl)cc4Cl)c[nH+]3)cc2)c1
MR,Modify the molecule CS(=O)(=O)Nc1ccc(-c2ccc(C3(CC(=O)NOC4CCCCO4)CCCCS3)s2)cc1 to decrease its MR value.,CS(=O)(=O)Nc1ccc(C2(CC(=O)NOC3CCCCO3)CCCCS2)s1
QED,Optimize the molecule CCOc1ccc(-c2c(C)c3cc(OCc4ccccc4)ccc3n2Cc2ccc(OCCBr)cc2)cc1 to have a higher QED value.,CC(=O)CCOc1ccc(Cn2c(-c3ccc(OCC)cc3)c(C)c3cc(OCc4ccccc4)ccc32)cc1
AtomNum,"The molecule contains 19 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1Br
BondNum,"The molecule is composed of 8 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CN(Cc1cccc(C(N)=O)c1)S(=O)(=O)Cc1ccccc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amine group.",COc1cc2c(Nc3cccc(O)c3C)ncnc2cc1OCC1CC[NH+](C)CC1
AddComponent,Please add a benzene ring to the molecule COc1ccc(NCC2CC[NH2+]CC2)cc1OCCO.,COc1ccc(NC(c2ccccc2)C2CC[NH2+]CC2)cc1OCCO
SubComponent,Substitute a halo in the molecule CN(C)C(=O)C[NH+](C)Cc1cc(Cl)ccc1N with a nitrile.,CN(C)C(=O)C[NH+](C)Cc1cc(C#N)ccc1N
DelComponent,Please remove a amine from the molecule CC1CCCC(NC(=O)CN2CCNc3ccccc32)C1C.,CC1CCCC(NC(=O)CN2CCc3ccccc32)C1C
LogP,Modify the molecule COC1CC(NS(=O)(=O)CCNC2CC2)C1 to have a higher LogP value.,COC1CC(NS(=O)(=O)CCC2CC2)C1
MR,Modify the molecule C=CCSC1=NC(=O)C2=c3ccccc3=NC(c3ccc(OC)cc3OC)[NH+]2N1 to have a higher MR value.,C=CCSC1=NC(=O)C2=c3c(-c4ccccc4)cccc3=NC(c3ccc(OC)cc3OC)[NH+]2N1
QED,Please optimize the molecule CCCc1ccc(C2CCN(CC[NH3+])CC2)cc1 to have a lower QED value.,CCCC1CCN(CC[NH3+])CC1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",Cc1nn(C)cc1C([NH3+])c1cscc1Br
BondNum,"Please generate a molecule composed of 12 single bonds, 1 double bond, 8 rotatable bonds, and 17 aromatic bonds.",COc1ccc(-c2nnc(SCC(=O)c3ccccc3F)n2CC(C)C)cc1
FunctionalGroup,Please generate a molecule composed of and 1 hydroxyl group.,CC(O)CCC[NH2+]C1CCN2CCCC12
AddComponent,Add a hydroxyl to the molecule O=C(NCC1(O)CCOCC1)C(Cl)c1ccccc1.,O=C(NCC1(O)CCOCC1)C(Cl)c1cccc(O)c1
SubComponent,Please substitute a hydroxyl in the molecule COc1cc(Br)cc(C=C2SC(=[NH+]c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1O with a carboxyl.,COc1cc(Br)cc(C=C2SC(=[NH+]c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1C(=O)[OH]
DelComponent,Please remove a benzene ring from the molecule CCn1nnc(C2OC(n3cnc4c(NCC(O)(CNc5nc(Cl)nc6c5ncn6C5OC(c6nnn(CC)n6)C(O)C5O)c5ccccc5)nc(Cl)nc43)C(O)C2O)n1.,CCn1nnc(C2OC(n3cnc4c(NCC(O)CNc5nc(Cl)nc6c5ncn6C5OC(c6nnn(CC)n6)C(O)C5O)nc(Cl)nc43)C(O)C2O)n1
LogP,Modify the molecule COc1cc(Oc2nc(Oc3ccc(C(F)(F)F)cc3)nc3c2NC(=O)CO3)cc(C(N)=[NH2+])c1 to have a lower LogP value.,COc1cc(Oc2nc(Oc3ccc(C(F)(F)F)c(C(=O)O)c3)nc3c2NC(=O)CO3)cc(C(N)=[NH2+])c1
MR,Modify the molecule Cc1ccc(-c2cncn2C2CCC[NH2+]C2C)cc1Cl to have a higher MR value.,Cc1ccc(-c2cncn2C2CCC[NH2+]C2C)cc1NO
QED,Modify the molecule CCC(CC)(CO)NS(=O)(=O)c1ccc(Cl)cc1C to have a lower QED value.,CCC(CC)(CO)NS(=O)(=O)CCl
AtomNum,"The molecule consists of 31 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",Cc1ccc(Cl)cc1-n1c(SCc2ccc(F)cc2)nnc1C(Cc1ccccc1)NC(=O)NC1CCCCC1
BondNum,"The molecule consists of 12 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCC1CC[NH2+]C(CC(=O)c2ccccc2F)C1
FunctionalGroup,Please generate a molecule composed of and 1 amine group.,Cc1nc2n(cc3ccccn32)c1N
AddComponent,Add a carboxyl to the molecule C#CCNC(=O)COC(=O)CSc1ccc(Br)cc1.,C#CCNC(=O)COC(=O)CSc1ccc(Br)c(C(=O)O)c1
SubComponent,Please substitute a halo in the molecule NC(=O)N(c1cccc(Cl)c1)c1ccccc1-c1nn[n-]n1 with a hydroxyl.,NC(=O)N(c1cccc(O)c1)c1ccccc1-c1nn[n-]n1
DelComponent,Remove a benzene ring from the molecule CC(C(=O)Nc1ccccc1C(=O)N1CCCC1)C1C[NH2+]C1.,CC(C(=O)NC(=O)N1CCCC1)C1C[NH2+]C1
LogP,Modify the molecule [NH3+]CC1(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CCCC1 to decrease its LogP value.,[NH3+]CC1(NC(=O)Cc2csc(COc3ccc(NO)cc3)n2)CCCC1
MR,Please modify the molecule O=C(CCC1CCC[NH2+]1)Nc1ccccc1O to increase its MR value.,O=C(CCC1CCC(c2ccccc2)[NH2+]1)Nc1ccccc1O
QED,Please modify the molecule C[S+](C)OCCCBr to increase its QED value.,C[S+](C)OCCCO
AtomNum,"The molecule has 10 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",COc1cc(C)c(Cl)cc1CN=C=O
BondNum,"There is a molecule consisting of 11 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCO[Si](O)(OCC)c1cc(F)c(F)c(F)c1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 amide group, and 3 halo groups.",O=C(CCc1cccc(Oc2ccc(F)cc2)c1)Nc1ccc(F)c(Cl)c1
AddComponent,Modify the molecule O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cc(CO)cs1 by adding a benzene ring.,O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cc(C(O)c2ccccc2)cs1
SubComponent,Please substitute a halo in the molecule O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCCc2ccccc21 with a carboxyl.,O=C([OH])c1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1
DelComponent,Modify the molecule CC(OC(=O)OCC[NH+](CCO)C(CO)(CO)CO)C(C)(C)C by removing a hydroxyl.,CC(OC(=O)OCC[NH+](CCO)C(C)(CO)CO)C(C)(C)C
LogP,Please optimize the molecule Cc1ccc(-n2c([O-])c(C=Nc3ccccc3C(=O)[O-])c(=O)[nH]c2=O)cc1C to have a higher LogP value.,Cc1ccc(-n2c([O-])c(C=Nc3ccccc3C(=O)[O-])c(=O)[nH]c2=O)cc1Cc1ccccc1
MR,Please optimize the molecule OC(C[NH2+]C1CC2CCC1C2)c1ccc2c(c1)OCCO2 to have a lower MR value.,c1cc2c(cc1CC[NH2+]C1CC3CCC1C3)OCCO2
QED,Please modify the molecule CC(=Cc1cc(Br)c2c(c1)OCCO2)C[NH2+]CC(C)C to decrease its QED value.,CC(=Cc1ccc2c(c1)OCCO2)C[NH2+]CC(C)C
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 2 fluorine atoms, and 1 bromine atom.",COc1ccc(C([NH3+])c2cc(F)c(Br)cc2F)c(OC)c1
BondNum,"The molecule is composed of 11 single bonds, 3 double bonds, 1 triple bond, and 5 rotatable bonds.",C=C([NH3+])CC(C)C#CC=CCC(C)C(=C)C
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 halo group.",COc1cccc(COC2CCCCCCC2Br)c1
AddComponent,Please add a amine to the molecule Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)N2CCOC(C)C2)c(C)c1.,Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)N2CCOC(C)(N)C2)c(C)c1
SubComponent,Please substitute a halo in the molecule COc1cc(Br)cc(C)c1NCc1c(C)cc(C)cc1C with a nitro.,COc1cc(NO)cc(C)c1NCc1c(C)cc(C)cc1C
DelComponent,Remove a benzene ring from the molecule CCN(CC)c1ccc(C=C2Oc3cc(OCC(=O)c4ccc(OC)cc4)cc(C)c3C2=O)cc1.,CCN(C=C1Oc2cc(OCC(=O)c3ccc(OC)cc3)cc(C)c2C1=O)CC
LogP,Please optimize the molecule O=C([O-])c1nc(Cc2ccc(Cl)cc2Cl)ncc1Cl to have a lower LogP value.,O=C([OH])c1ccc(Cc2ncc(Cl)c(C(=O)[O-])n2)c(Cl)c1
MR,Please optimize the molecule Cc1cc(C)c(CNc2ccccc2F)c(C)c1 to have a higher MR value.,Cc1cc(C)c(CNc2ccccc2)c(C)c1
QED,Modify the molecule CCOc1cc(C[NH2+]CC2CCCOC2)ccc1OCC(F)(F)F to decrease its QED value.,CCOc1cc(C[NH2+]CC2CCCOC2)ccc1OCC(F)F
AtomNum,"There is a molecule consisting of 22 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",O=C(NCCc1cccs1)c1ccc(NC(=O)N2CCc3ccncc3C2)cc1
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",CC(=O)OCCCc1c(-c2ccncc2)oc2ccc3c(c12)CCC(C)(C)O3
FunctionalGroup,There is a molecule composed of and 1 sulfone group.,CC[NH2+]CC1CCN(S(=O)(=O)N2C(C)CCCC2C)CC1
AddComponent,Add a benzene ring to the molecule CC(=O)Oc1cccc(C(=O)NS(=O)(=O)c2ccc(CC[NH3+])cc2)c1.,CC(=O)Oc1cccc(C(=O)NS(=O)(=O)c2ccc(CC[NH3+])cc2)c1-c1ccccc1
SubComponent,Substitute a halo in the molecule O=C([O-])CC1C[NH2+]CCN(Cc2cc(F)ccc2-n2cccn2)C1 with a aldehyde.,CC(=O)c1ccc(-n2cccn2)c(CN2CC[NH2+]CC(CC(=O)[O-])C2)c1
DelComponent,Remove a halo from the molecule COc1ccc(C(=O)N2CCCC(C)C2)cc1NC(=O)CNC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3F)cc2C)CC1.,COc1ccc(C(=O)N2CCCC(C)C2)cc1NC(=O)CNC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2C)CC1
LogP,Optimize the molecule C#CCNc1cc(-n2cnnn2)ccc1F to have a lower LogP value.,C#CCNc1cc(-n2cnnn2)ccc1O
MR,Optimize the molecule C[NH+]1CCC(C(C[NH3+])CC#N)CC1 to have a lower MR value.,CC(C[NH3+])C1CC[NH+](C)CC1
QED,Please modify the molecule COC(=O)Cc1ccc(OCC(O)C[NH2+]C(C)C)cc1 to decrease its QED value.,COC(=O)C(N)c1ccc(OCC(O)C[NH2+]C(C)C)cc1
AtomNum,"Please generate a molecule with 24 carbon atoms, 6 nitrogen atoms, and 3 fluorine atoms.",Nc1c2c(-c3ccccc3F)nc(NCc3cccc(F)c3)nc2nn1-c1ccc(F)cc1
BondNum,"There is a molecule composed of 16 single bonds, 5 double bonds, and 3 rotatable bonds.",CCCC1C(=O)NC(=O)N(C2(C)CCS(=O)(=O)C2)C1=O
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",Cc1cc(NC(=O)c2ccccn2)n(-c2ccccc2)n1
AddComponent,Please add a benzene ring to the molecule CC(=O)Cc1cccc(OC2CCC(C(=O)N(C)c3ccc(CN4CC[NH2+]C(C)C4)c(C)c3)CC2)c1.,CC(=O)Cc1cccc(OC2(c3ccccc3)CCC(C(=O)N(C)c3ccc(CN4CC[NH2+]C(C)C4)c(C)c3)CC2)c1
SubComponent,Substitute a CCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 in the molecule halo with a carboxyl.,CCN(C(=O)c1ccc(C(=O)[OH])cc1)c1nc(-c2ccc(Cl)cc2)cs1
DelComponent,Modify the molecule amide by removing a Cc1c(O)[nH]c(O)c1C(=O)C(NC(=O)CC(NC(=O)c1cccc(F)n1)c1cccnc1)C(C)C.,Cc1c(O)[nH]c(O)c1C(=O)C(C(C)C)C(NC(=O)c1cccc(F)n1)c1cccnc1
LogP,Please optimize the molecule CCc1cc(C(Nc2ccccn2)c2ccccc2F)c(NC(=O)c2ccco2)s1 to have a lower LogP value.,CCc1cc(C(c2ccccn2)c2ccccc2F)c(NC(=O)c2ccco2)s1
MR,Please modify the molecule C[NH+](C)C1C(=O)C(C(N)=O)=C([O-])C2(O)C(=O)C3=C([O-])c4c(cc5ccc(C[NH+]6CCCC6)cc5c4O)CC3CC12 to increase its MR value.,C[NH+](C)C1C(=O)C(C(N)=O)=C([O-])C2(Br)C(=O)C3=C([O-])c4c(cc5ccc(C[NH+]6CCCC6)cc5c4O)CC3CC12
QED,Optimize the molecule CCNC(=O)c1ccc2c(c1)OCc1ccccc1C2=C1CC2CCC(C1)[NH+]2CCc1ccccc1 to have a higher QED value.,CCNC(=O)c1ccc2c(c1)OCc1ccccc1C2=C1CC2CCC(C1)[NH+]2CC
AtomNum,"There is a molecule consisting of 21 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 bromine atom.",Cc1ccc(C(C[NH2+]CC(=O)c2ccc(Br)cc2)N2CCCC2)cc1
BondNum,"Please generate a molecule with 15 single bonds, 6 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)NN=C(C1=CCC(Cl)(OS(=O)(=O)F)C=C1)c1ccccc1
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,[NH3+]C1CCN(c2ccc(Cc3ccncc3)cc2)C1
AddComponent,Add a hydroxyl to the molecule CC(C)c1ccc(OCn2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1.,CC(C)c1ccc(OCn2ccc(C(=O)Nc3ccc(OC(F)(F)F)c(O)c3)n2)cc1
SubComponent,Please substitute a O=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccccc1F in the molecule halo with a nitro.,ONc1ccccc1C(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1
DelComponent,Modify the molecule C[NH+](C)CCCNS(=O)(=O)c1ccc(Br)cc1 by removing a halo.,C[NH+](C)CCCNS(=O)(=O)c1ccccc1
LogP,Modify the molecule CC(C)CCC1=CC(=O)C(CCOCc2ccccc2)C1 to decrease its LogP value.,COCCC1CC(CCC(C)C)=CC1=O
MR,Optimize the molecule CCC(SC)(c1ccc(Cl)cc1Cl)C(C(=O)[O-])n1ccnc1 to have a higher MR value.,CCC(SCc1ccccc1)(c1ccc(Cl)cc1Cl)C(C(=O)[O-])n1ccnc1
QED,Please optimize the molecule COc1cccc(NC(=O)NCC[NH+]2CCC(c3cccs3)CC2)c1 to have a lower QED value.,CONC(=O)NCC[NH+]1CCC(c2cccs2)CC1
AtomNum,"The molecule has 13 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(CCC(N)=O)c1coc2ccc(N)cc12
BondNum,"Please generate a molecule consisting 12 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",O=C(NCC1=CC[NH2+]CC1)c1occc1COc1ccccc1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ester group, and 1 sulfone group.",COC(=O)C(NC(=O)OC(C)(C)C)C(C)OS(=O)(=O)c1ccc(C)cc1
AddComponent,Modify the molecule CCN(Cc1cnn(C)c1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] by adding a benzene ring.,CCN(Cc1cnn(C)c1)c1ccc(S(N)(=O)=O)c(-c2ccccc2)c1[N+](=O)[O-]
SubComponent,Substitute a CCOC(=O)C1(N(O)C(=O)OCc2ccccc2)CCCCC1=O in the molecule hydroxyl with a thiol.,CCOC(=O)C1(N(S)C(=O)OCc2ccccc2)CCCCC1=O
DelComponent,Please remove a amide from the molecule CC(=O)OCC1OC(On2c3c(OCc4ccccc4)cccc3c3c4c(c5c6cccc(OCc7ccccc7)c6[nH]c5c32)C(=O)N(COCc2ccccc2)C4=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.,CC(=O)OCC1OC(On2c3c(OCc4ccccc4)cccc3c3(COCc4ccccc4)c2c2[nH]c4c(OCc5ccccc5)cccc4c2c-3C=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
LogP,Modify the molecule CCCCCCCCC(CCCCCC)COc1ccc(-c2c3cc(-c4sc(-c5c(F)c(F)c(-c6cc(CC(CC)CCCC)cs6)c6nsnc56)cc4CC(CC)CCCC)sc3c(-c3ccc(OCC(CCCCCC)CCCCCCCC)cc3F)c3ccsc23)c(F)c1 to decrease its LogP value.,CCCCCCCCC(CCCCCC)COc1ccc(-c2c3ccsc3c(-c3ccc(OCC(CCCCCC)CCCCCCCC)cc3F)c3cc(-c4sc(-c5c(F)c(F)c(-c6cc(CC(CC)CCCC)cs6)c6nsnc56)cc4CC(CC)CCCC)sc23)cc1
MR,Modify the molecule C[NH+]1CCC2(CC1)CC[NH+](CC1OC(n3cnc4c(N)ncnc43)C(O)C1O)C2 to increase its MR value.,C[NH+]1CCC2(CC[NH+](CC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C2)CC1CC=O
QED,Optimize the molecule COc1ccc(NN)c(OC)c1 to have a higher QED value.,COc1ccc(N)c(OC)c1
AtomNum,"There is a molecule with 24 carbon atoms, 2 oxygen atoms, and 2 fluorine atoms.",C=CCCOC1(OCCCCCCCC)C=CC(c2ccccc2)C(F)=C1F
BondNum,"There is a molecule consisting of 20 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",CC[NH+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccc2c(c1)OCO2
FunctionalGroup,"There is a molecule with 3 benzene ring groups, and 1 halo group.",Cc1c(I)cccc1N(c1ccccc1)c1ccccc1
AddComponent,Add a benzene ring to the molecule CC(=O)NC1CCN(C(=O)C(C)([NH3+])C2CC2)CC1.,CC(=O)NC1(c2ccccc2)CCN(C(=O)C(C)([NH3+])C2CC2)CC1
SubComponent,Substitute a halo in the molecule CC(C)c1c(C(=O)[O-])cnn1-c1cncc(Br)c1 with a thiol.,CC(C)c1c(C(=O)[O-])cnn1-c1cncc(S)c1
DelComponent,Remove a C[NH2+]C(C)CCc1nc(CSc2ccc(Cl)cc2)no1 from the molecule benzene ring.,C[NH2+]C(C)CCc1nc(CSCl)no1
LogP,Optimize the molecule Cc1nc2cc(C[NH3+])ccc2n1C(C)C to have a lower LogP value.,Cc1nc2cc(C([NH3+])O)ccc2n1C(C)C
MR,Please modify the molecule Cc1cc2c(cc1I)NC(C1CC=CCC1)NS2 to decrease its MR value.,Cc1cc2c(cc1C#N)NC(C1CC=CCC1)NS2
QED,Modify the molecule Oc1cccc(Cc2ccc(Oc3ccc(Cc4cccc(O)c4)cc3)cc2)c1 to have a higher QED value.,OCc1ccc(Oc2ccc(Cc3cccc(O)c3)cc2)cc1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1ccc(OCCN2CC[NH+](Cc3cc(C)on3)CC2)cc1
BondNum,"The molecule consists of 20 single bonds, 3 double bonds, 3 rotatable bonds, and 18 aromatic bonds.",CC(C)(C)OC(=O)N1C(=O)C2(c3ccccc31)C([N+](=O)[O-])C(c1ccccc1)ON2c1ccc(F)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 1 amine group, 1 nitro group, 1 halo group, and 1 sulfide group.",O=C([O-])COc1ccc(C=C2SC(Nc3ccc(Cl)cc3[N+](=O)[O-])=[NH+]C2=O)cc1
AddComponent,Modify the molecule C[NH2+]CCCNC(=O)c1ccc2c(c1)oc(=O)n2Cc1cccc(NC(=O)[O-])c1 by adding a benzene ring.,C[NH2+]CCCNC(=O)c1ccc2c(oc(=O)n2Cc2cccc(NC(=O)[O-])c2)c1-c1ccccc1
SubComponent,Please substitute a N#Cc1ccc2c(c1)CC1C[NH2+]CCN1C2=O in the molecule nitrile with a carboxyl.,O=C([OH])c1ccc2c(c1)CC1C[NH2+]CCN1C2=O
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(SC(C)C(=O)NC23CC4CC(C2)CC(n2cncn2)(C4)C3)cc1.,CSC(C)C(=O)NC12CC3CC(C1)CC(n1cncn1)(C3)C2
LogP,Please modify the molecule Cc1ccc(N(C)S(=O)(=O)c2cc(CCl)ccc2Cl)cc1 to decrease its LogP value.,Cc1ccc(N(C)S(=O)(=O)c2cc(CO)ccc2Cl)cc1
MR,Optimize the molecule CC1C[NH2+]CCN1C(=O)Cn1cc(Br)cn1 to have a higher MR value.,CC(=O)c1cnn(CC(=O)N2CC[NH2+]CC2C)c1
QED,Please modify the molecule CCOC(=O)C(C(=O)NC(C)C1CCCC1)C(C)(C)C to decrease its QED value.,CCOC(=O)C(C(=O)NC(C)C1CCC(O)C1)C(C)(C)C
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(-c2cc(=O)oc3cc(OC(C)C(=O)NCCC[NH+](C)C)ccc23)cc1
BondNum,"Please generate a molecule composed of 7 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",O=[N+]([O-])c1c(F)cccc1Nc1c(F)cccc1Cl
FunctionalGroup,"There is a molecule consisting of 2 hydroxyl groups, and 1 ester group.",CCC=CCC=CCC=CCC=CCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC(O)CO
AddComponent,Add a benzene ring to the molecule O=S(=O)(NC1CCN(c2ccnc(C3CC3)n2)CC1)c1ccccc1.,O=S(=O)(NC1CCN(c2nc(C3CC3)ncc2-c2ccccc2)CC1)c1ccccc1
SubComponent,Please substitute a halo in the molecule CC[NH+](CCCCl)Cc1c(C)cc(C)cc1C with a aldehyde.,CC(=O)CCC[NH+](CC)Cc1c(C)cc(C)cc1C
DelComponent,Remove a halo from the molecule N#Cc1cc(NC(=O)OCC(F)(F)F)ccc1Cl.,N#Cc1cc(NC(=O)OCC(F)F)ccc1Cl
LogP,Optimize the molecule O=C(NCc1ccccc1O)c1c[nH]c(=O)[nH]1 to have a higher LogP value.,O=C(NCc1ccccc1Cl)c1c[nH]c(=O)[nH]1
MR,Optimize the molecule CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)C(CC)C(=O)NC)S(=O)(=O)c2ccc(Br)cc2)cc1 to have a higher MR value.,CCC(C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC(C)C(=O)O)cc1)S(=O)(=O)c1ccc(Br)cc1
QED,Please modify the molecule CC(=O)Nc1cn(C(C)=O)c2cccnc12 to increase its QED value.,CC(=O)Nc1cn(C(=O)CC(=O)O)c2cccnc12
AtomNum,"The molecule is composed of 13 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCN(CCC[NH+](CC)CC)CC([NH2+]C)C(=O)[O-]
BondNum,"There is a molecule composed of 14 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1cc(Cl)ccc1NC(=O)C1=C(C)NC(=S)NC1c1ccc(F)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ester group, 1 amine group, and 1 sulfone group.",CC(C)C(C)OC(=O)c1ccc(N(C)C)c(S(N)(=O)=O)c1
AddComponent,Add a hydroxyl to the molecule Cc1ccc(=O)n(CCN2CC[NH+](Cc3ncoc3C(C)C)CC2)n1.,Cc1ccc(=O)n(CC(O)N2CC[NH+](Cc3ncoc3C(C)C)CC2)n1
SubComponent,Substitute a [NH3+]CCCC[NH+]1CCN(C(=O)C(F)(F)F)CC1 in the molecule halo with a nitro.,[NH3+]CCCC[NH+]1CCN(C(=O)C(F)(F)NO)CC1
DelComponent,Remove a halo from the molecule CCc1cc(Cn2cnc(Cl)c(OC)c2=O)n(C)n1.,CCc1cc(Cn2cncc(OC)c2=O)n(C)n1
LogP,Please optimize the molecule OCC1OC(c2cccc(-c3nc4ccccc4[nH]3)c2)C(O)C(O)C1O to have a lower LogP value.,OCC1OC(c2nc3ccccc3[nH]2)C(O)C(O)C1O
MR,Optimize the molecule CCCC(Nc1ccccc1)C(O)CNc1ccc(C)cc1 to have a higher MR value.,CCCC(Nc1ccccc1)C(O)C(O)Nc1ccc(C)cc1
QED,Optimize the molecule CCOC(=O)C(CN1CCCC1(C)C)[NH2+]C(C)C to have a lower QED value.,CCOC(=O)C(CN1CCCC1(C)C)[NH2+]C(C)CN
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",COCc1cc(COc2ccc(C#N)cc2F)no1
BondNum,"The molecule has 14 single bonds, 2 double bonds, 7 rotatable bonds, and 24 aromatic bonds.",O=C(Nc1ccccc1C(F)(F)F)C(Sc1ccc(NC(=S)Nc2ccccc2)cc1)c1ccccc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 nitro group.",O=c1[nH]c(=S)[nH]c2c1C[NH+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2
AddComponent,Add a benzene ring to the molecule Cc1nn(C)c(Sc2ccoc2C)c1C[NH2+]CC(C)C.,Cc1nn(C)c(Sc2c(-c3ccccc3)coc2C)c1C[NH2+]CC(C)C
SubComponent,Substitute a halo in the molecule CC1OCCC1CNC(=O)c1c(F)ccc([N+](=O)[O-])c1N with a nitro.,CC1OCCC1CNC(=O)c1c(NO)ccc([N+](=O)[O-])c1N
DelComponent,Modify the molecule halo by removing a O=C1SC(=Cc2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1CCc1ccccc1.,O=C1SC(=Cc2cc(Br)ccc2Oc2ccc(C(F)F)cc2[N+](=O)[O-])C(=O)N1CCc1ccccc1
LogP,Optimize the molecule Cc1ccc(C(=O)N(CC2CO2)CC2CO2)cc1 to have a higher LogP value.,Cc1ccc(C(=O)N(CC2CO2)CC2CO2)cc1S
MR,Modify the molecule O=C([O-])c1cc(S(=O)(=O)N2CCC(OCCO)CC2)cs1 to have a higher MR value.,ONCCOC1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1
QED,Modify the molecule C[NH+]1CCN(C(=O)CCNC(=O)C(NC(=O)c2cnc3ncc(C4CC4)[nH]c2-3)C2CC2)CC1 to increase its QED value.,C[NH+]1CCC(CNC(=O)C(NC(=O)c2cnc3ncc(C4CC4)[nH]c2-3)C2CC2)C1
AtomNum,"There is a molecule with 16 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",O=C(OCc1cccnc1)C1CC1c1ccc(F)cc1
BondNum,"There is a molecule composed of 13 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",O=C(NCc1ccccc1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 halo group.",[NH3+]CCc1cccc(OCc2ccc(Br)cn2)c1
AddComponent,Add a hydroxyl to the molecule CC(c1c[nH+]c(N)[nH]1)c1[nH]c(C(=O)c2c[nH]c3cc(O)ccc23)nc1-c1c[nH]c2cc(Br)ccc12.,CC(c1[nH]c(C(=O)c2c[nH]c3cc(O)ccc23)nc1-c1c[nH]c2cc(Br)ccc12)c1[nH]c(N)[nH+]c1O
SubComponent,Please substitute a halo in the molecule Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1 with a nitro.,Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nc(C)c(Cc2ccc(NO)cc2)s1
DelComponent,Remove a O=C1CN(CCCn2ccnc2)C(=O)C2(CCCC2)N1 from the molecule amide.,O=C1N(CCCn2ccnc2)C12CCCC2
LogP,Please modify the molecule CCCCCC=CCC=CCCCCCCCCC(CCCCCCCCC=CCC=CCCCCC)C(=O)ON1C(=O)CCC1=O to increase its LogP value.,CCCCCC=CCC=CCCCCCCCCC(CCCCCCCCC=CCC=CCCCCC)C(=O)OCC=O
MR,Optimize the molecule COc1cccc(C=NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1 to have a lower MR value.,COc1cccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)c1
QED,Modify the molecule CC1(Cn2c(CCl)nc3c(F)cc(F)cc32)CC1 to have a lower QED value.,CC1(Cn2c(CCl)nc3c(F)cccc32)CC1
AtomNum,"The molecule has 11 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 1 iodine atom.",Ic1ccccc1NC1CCCSC1
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 6 rotatable bonds, and 5 aromatic bonds.",C[NH2+]CCCNC(=O)c1n[nH]c(C(C)C)n1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, 3 halo groups, and 1 nitrile group.",Cc1ccc(C(F)(F)F)cc1-c1[nH]c(-c2cc(N)ncn2)cc1C#N
AddComponent,Please add a hydroxyl to the molecule C[NH2+]Cc1cc(Cl)ccc1OCCC1CCCO1.,C[NH2+]Cc1c(OCCC2CCCO2)ccc(Cl)c1O
SubComponent,Please substitute a Brc1cc2cc(-c3ccccc3)ccc2s1 in the molecule halo with a aldehyde.,CC(=O)c1cc2cc(-c3ccccc3)ccc2s1
DelComponent,Please remove a benzene ring from the molecule CC[Si](CC)(CC)OC(CCOCc1ccccc1)CC(CC(C)=O)O[Si](C)(C)C(C)(C)C.,CC[Si](CC)(CC)OC(CCOC)CC(CC(C)=O)O[Si](C)(C)C(C)(C)C
LogP,Please modify the molecule CCCN(C1CC[NH2+]C1)C(C)c1cc(OC)ccc1O to increase its LogP value.,CCCN(C1CC[NH2+]C1)C(C)c1cccc(OC)c1
MR,Modify the molecule N#CC1=C(N)[NH+]2NC(=NC(=O)c3ccccc3)SC2=C(C#N)C1c1ccccc1 to decrease its MR value.,N#CC1=C(N)[NH+]2C(=NC(=O)c3ccccc3)SC2=C(C#N)C1c1ccccc1
QED,Optimize the molecule CCOC(=O)C1=CCC(c2ccc(Cl)cc2)C12C(=O)Oc1ccccc12 to have a lower QED value.,CCOC(=O)C1=CCC(c2ccc(S)cc2)C12C(=O)Oc1ccccc12
AtomNum,"There is a molecule composed of 25 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",COc1ccc(C[NH+]2CCCN(c3ncsc3CNC(=O)c3ccc(Cl)cc3)CC2)cc1OC
BondNum,"There is a molecule consisting of 16 single bonds, 1 double bond, and 6 rotatable bonds.",CC(C)[NH2+]CC(=O)NCC[NH+]1CCN(C)CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amine groups, 1 halo group, and 2 sulfide groups.",Cc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1Cl
AddComponent,Please add a hydroxyl to the molecule CCOCCOCCn1cc[nH+]c1C1CCN(C(=O)CCOc2ccccc2F)CC1.,CCOCCOCCn1cc[nH+]c1C1CCN(C(=O)CCOc2cc(O)ccc2F)CC1
SubComponent,Please substitute a hydroxyl in the molecule COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1C[NH2+]C(CO)C(C)O with a nitrile.,COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1C[NH2+]C(CC#N)C(C)O
DelComponent,Please remove a Cc1ccc2c(c1)Cc1c([nH]c(-c3cc(Cl)ccc3O)nc1=S)O2 from the molecule halo.,Cc1ccc2c(c1)Cc1c([nH]c(-c3ccccc3O)nc1=S)O2
LogP,Modify the molecule COCCn1c(-c2cccc(C)c2)nc2ccc(I)cc2c1=O to decrease its LogP value.,COCCn1c(C)nc2ccc(I)cc2c1=O
MR,Modify the molecule CC(NS(=O)(=O)c1cc(C[NH3+])sc1Br)c1ccco1 to have a lower MR value.,CC(c1ccco1)S(=O)(=O)c1cc(C[NH3+])sc1Br
QED,Optimize the molecule Cc1ccc(C2=NOC3(CCN(C(=O)Nc4ccccc4F)CC3)C2)cc1 to have a higher QED value.,Cc1ccc(C2=NOC3(CCN(C(=O)Nc4ccccc4)CC3)C2)cc1
AtomNum,"The molecule is composed of 20 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",COc1cccc(C=NNc2ccccn2)c1OCc1ccc(Br)cc1
BondNum,"There is a molecule with 5 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",NNC(=O)C([NH3+])c1ccc2ncoc2c1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 2 amine groups, 1 halo group, and 1 sulfone group.",CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Cl
AddComponent,Add a amine to the molecule Cc1oc(-c2cccs2)nc1CC(=O)OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21.,Cc1oc(-c2cccs2)nc1CC(=O)OCC(=O)N1c2ccc([N+](=O)[O-])cc2CCC1N
SubComponent,Substitute a halo in the molecule COc1ccccc1NCC(=O)NN=Cc1ccccc1Br with a nitro.,COc1ccccc1NCC(=O)NN=Cc1ccccc1NO
DelComponent,Remove a nitrile from the molecule N#CC1CCN(C(=O)c2ccn(C3CCCCC3)n2)CC1.,O=C(c1ccn(C2CCCCC2)n1)N1CCCCC1
LogP,Modify the molecule COc1cc(C=C2OCC(=O)N3C2=[NH+]CCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1 to decrease its LogP value.,Cc1cn(-c2ccc(C=C3OCC(=O)N4C3=[NH+]CCC4c3ccc(F)cc3)cc2OCCC=O)cn1
MR,Modify the molecule COc1ccc(CNC(=S)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 to decrease its MR value.,COc1ccc(CNC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1
QED,Please optimize the molecule CC(C)CN(CC(O)C(=O)[O-])C(=O)NC(C(=O)OCc1ccccc1)c1ccc(-c2ccccc2)cc1 to have a lower QED value.,CC(C)CN(CC(O)C(=O)[O-])C(=O)NC(C(=O)OCc1ccccc1)c1ccc(-c2ccccc2-c2ccccc2)cc1
AtomNum,"The molecule has 15 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCC(C)SCC([NH2+]C)C1CCc2cccnc21
BondNum,"There is a molecule with 13 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(C)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 2 amine groups, and 1 halo group.",CCOc1cc(NC(C)C(=O)NC(C)(C)C)c(N)cc1F
AddComponent,Add a benzene ring to the molecule COc1ccc(N(CC(C)=O)CC(=O)OC(C)C)cc1.,COc1ccc(N(CC(=O)Cc2ccccc2)CC(=O)OC(C)C)cc1
SubComponent,Please substitute a halo in the molecule COc1ccc(N)c(C(=O)c2cc(Br)c(Br)s2)c1 with a hydroxyl.,COc1ccc(N)c(C(=O)c2cc(O)c(Br)s2)c1
DelComponent,Remove a benzene ring from the molecule C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1.,C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OC(Cl)Cl
LogP,Modify the molecule CC1CCN(c2c(F)cc(CO)cc2F)CC1O to have a lower LogP value.,CC1CCN(c2ccc(CO)cc2F)CC1O
MR,Please modify the molecule CCC(CC)(Cc1nc2cc(F)ccc2n1C)C(=O)[O-] to increase its MR value.,CCC(CC)(Cc1nc2ccccc2n1C)C(=O)[O-]
QED,Please modify the molecule NC(=O)c1cc(-c2cccc(Cl)c2)ncn1 to decrease its QED value.,N#Cc1cccc(-c2cc(C(N)=O)ncn2)c1
AtomNum,"There is a molecule consisting of 20 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",CN(CCO)C(=O)COc1cc2oc(-c3ccccc3)cc([O-])c-2c(=O)c1
BondNum,"Please generate a molecule with 6 single bonds, 5 rotatable bonds, and 16 aromatic bonds.",Brc1cccc(OCCSc2cc3ccccc3[nH]2)c1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 ketone group, 1 amide group, and 3 halo groups.",COc1cccc(C(=O)c2ccccc2NC(=O)C(Cl)(Cl)Cl)c1
AddComponent,Please add a hydroxyl to the molecule [NH3+]CC1CCCN1C(=O)NCC1CCOC2(CCC2)C1.,[NH3+]CC1C(O)CCN1C(=O)NCC1CCOC2(CCC2)C1
SubComponent,Substitute a hydroxyl in the molecule COc1cc2c(cc1OC)C1Cc3ccc(OC)c(O)c3C2C[NH+]1C with a carboxyl.,COc1cc2c(cc1OC)C1Cc3ccc(OC)c(C(=O)[OH])c3C2C[NH+]1C
DelComponent,Remove a benzene ring from the molecule COC(=O)CC([NH2+]C1(C(=O)[O-])CCCCC1)C(=O)NCc1ccccc1.,CNC(=O)C(CC(=O)OC)[NH2+]C1(C(=O)[O-])CCCCC1
LogP,Optimize the molecule CC(O)CCC(CNC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 to have a lower LogP value.,CC(C)(C)OC(=O)NCC(CCC(O)CO)c1ccc(Cl)c(Cl)c1
MR,Optimize the molecule COCC(C)(C)Nc1nc(Cl)ncc1F to have a lower MR value.,COCC(C)(C)c1nc(Cl)ncc1F
QED,Please modify the molecule CC(C)c1[nH+]ccn1-c1ccc(Br)cc1 to decrease its QED value.,CC(C)c1[nH+]ccn1-c1ccc(S)cc1
AtomNum,"Please generate a molecule with 23 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COC(=O)CC(c1cnc2ccccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1
BondNum,"There is a molecule composed of 10 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1ccc(C(=O)NCC(C)C(N)=[NH+]O)cc1Cl
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 sulfone group.",COc1cccc2cc(C(C)NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)oc12
AddComponent,Add a hydroxyl to the molecule CCCCC(CC)Cn1c(C[NH2+]C)cc2ccccc21.,CCC(O)CC(CC)Cn1c(C[NH2+]C)cc2ccccc21
SubComponent,Modify the molecule halo by substituting a CC(C)COc1ccc(C([O-])=C2C(=O)C(=O)N(CCCOC(C)C)C2c2ccc(F)cc2)cc1 with a thiol.,CC(C)COc1ccc(C([O-])=C2C(=O)C(=O)N(CCCOC(C)C)C2c2ccc(S)cc2)cc1
DelComponent,Please remove a O=C(COc1cccc(F)c1)NN=Cc1ccco1 from the molecule halo.,O=C(COc1ccccc1)NN=Cc1ccco1
LogP,Modify the molecule COc1ccc(CN2C=CC(C(F)(C(F)(F)F)C(F)(F)F)C(Cl)=C2)cc1 to decrease its LogP value.,COc1ccc(CN2C=CC(C(F)(C(F)(F)F)C(F)(F)F)C(Cl)=C2)cc1O
MR,Please modify the molecule CCCCC(C)c1cnc(Cl)c(Cl)c1 to increase its MR value.,CCCCC(C)c1cnc(C(=O)[OH])c(Cl)c1
QED,Modify the molecule CCC(F)=C(F)c1ccc(-c2cc(F)c(C3COC(C(F)(F)Oc4cc(F)c(F)c(F)c4)OC3)c(F)c2)cc1 to have a lower QED value.,CCC(C(=O)[OH])=C(F)c1ccc(-c2cc(F)c(C3COC(C(F)(F)Oc4cc(F)c(F)c(F)c4)OC3)c(F)c2)cc1
AtomNum,"The molecule has 8 carbon atoms, 1 oxygen atom, and 1 bromine atom.",CC(C)(CBr)CCCCO
BondNum,"Please generate a molecule composed of 15 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)[NH2+]CC1(c2ccccc2Cl)CCCCCC1
FunctionalGroup,Please generate a molecule consisting and 2 benzene ring groups.,CCC(C)c1ccc(Cn2c(COc3ccc(C)cc3)nc3ccccc32)cc1
AddComponent,Add a aldehyde to the molecule CC1(C)CCC(NC(=O)C2CCc3[nH]nc(C(F)(F)F)c3C2)C1.,CC1(C)CCC(NC(=O)C2CCc3[nH]nc(C(F)(F)F)c3C2CC=O)C1
SubComponent,Modify the molecule halo by substituting a C[NH2+]C(c1ccc(F)cc1F)c1cccnc1N with a nitrile.,C[NH2+]C(c1ccc(C#N)cc1F)c1cccnc1N
DelComponent,Remove a Cc1c(C(=O)NNC(=O)Cc2cccc3ccccc23)oc2ccc(F)cc12 from the molecule halo.,Cc1c(C(=O)NNC(=O)Cc2cccc3ccccc23)oc2ccccc12
LogP,Please modify the molecule Cc1cccc(-n2ncc3c(N4CCN(c5ccccc5O)CC4)ncnc32)c1 to decrease its LogP value.,Cc1cccc(-n2ncc3c(N4CCN(c5ccccc5O)CC4O)ncnc32)c1
MR,Please modify the molecule CCC1(CO)CC[NH+](CC(=O)N(C)c2nccs2)CC1 to increase its MR value.,CCC1(CO)CC[NH+](CC(=O)N(C)c2ncc(O)s2)CC1
QED,Please optimize the molecule COc1ccc(CCN(Cc2cccs2)C(=O)CN(CC(C)C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC to have a lower QED value.,COc1ccc(CCN(Cc2cccs2)C(=O)CN(C(=O)Nc2ccc(C(C)C)cc2)C(c2ccccc2)C(C)C)cc1OC
AtomNum,"The molecule has 15 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",COc1ccc(Cl)cc1C(=O)OC(C)C(=O)NC(=O)NC(C)C
BondNum,"The molecule contains 14 single bonds, 2 double bonds, 8 rotatable bonds, and 22 aromatic bonds.",Cc1ccc(-n2cc(-c3ccccc3)[nH+]c2NC(=O)CN(CC(C)C)C(=O)c2ccco2)cc1C
FunctionalGroup,There is a molecule consisting of and 1 halo group.,CC(C)C1=CC2N=C(Cl)C=CC2[NH2+]1
AddComponent,Modify the molecule Cc1cccc(Oc2ccc(B(O)O)cc2)c1 by adding a nitrile.,Cc1cccc(Oc2ccc(B(O)O)c(C#N)c2)c1
SubComponent,Modify the molecule hydroxyl by substituting a COc1cc(CCNC(=O)NCC(O)CC(C)C)ccc1C with a halo.,COc1cc(CCNC(=O)NCC(F)CC(C)C)ccc1C
DelComponent,Remove a CCC[NH2+]Cc1cc(F)ccc1OCc1ncnn1C from the molecule benzene ring.,CCC[NH2+]C(F)OCc1ncnn1C
LogP,Modify the molecule COC1CCC2C=NN(Cc3ccc(C(=O)Nc4ccccc4N)cc3)C2C1 to increase its LogP value.,COC1CCC2C=NN(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2C1
MR,Modify the molecule CCOc1ccc(NC(=O)C(CC)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 to increase its MR value.,CCOc1ccc(NC(=O)C(CC)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1O
QED,Please modify the molecule Fc1ccccc1Oc1c(F)cc(CBr)cc1F to decrease its QED value.,FOc1c(F)cc(CBr)cc1F
AtomNum,"Please generate a molecule with 12 carbon atoms, 5 oxygen atoms, and 1 nitrogen atom.",O=C([O-])CONC(=O)CCCOc1ccccc1
BondNum,"The molecule has 20 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",COC(=O)C(CC1CC(F)C(F)C1)N1CC(Oc2ccccc2Cl)=CC1=O
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 hydroxyl group, 1 ester group, 3 amide groups, 1 halo group, 2 thioether groups, and 1 sulfide group.",COC(=O)C(CCSC)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)c1ccc(Cl)cc1O)C(C)C
AddComponent,Please add a carboxyl to the molecule O=[N+]([O-])c1cccnc1NCc1ccnc(N2CCOCC2)c1.,O=C(O)C1CN(c2cc(CNc3ncccc3[N+](=O)[O-])ccn2)CCO1
SubComponent,Substitute a Fc1c(Cl)cc(C2CCC[NH2+]2)c(F)c1F in the molecule halo with a nitro.,ONc1c(Cl)cc(C2CCC[NH2+]2)c(F)c1F
DelComponent,Please remove a aldehyde from the molecule CC(C)C(CC=O)c1ccc2c(c1)CCC2.,CC(C)Cc1ccc2c(c1)CCC2
LogP,Optimize the molecule CCOC(=O)C([NH3+])c1cn(C(C)C)c2ccc(F)cc12 to have a lower LogP value.,CCOC(=O)C([NH3+])c1cn(C(C)C)c2ccc(O)cc12
MR,Please optimize the molecule CCCCCCCC(=O)CCCC(CC1CCC(=O)O1)OC(=O)c1ccccc1 to have a higher MR value.,CCCCCCCC(=O)CC(CC(CC1CCC(=O)O1)OC(=O)c1ccccc1)c1ccccc1
QED,Please modify the molecule CCC(C[NH3+])C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 to increase its QED value.,CCCc1cccc(NC(=O)C(CC)C[NH3+])c1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 bromine atom.",CCNC(=[NH+]CCC(=O)Nc1cc(Br)ccc1C)N1CCC(O)C1
BondNum,"The molecule has 8 single bonds, 1 rotatable bond, and 6 aromatic bonds.",Cc1cc(F)nc(OC(F)(F)F)c1Cl
FunctionalGroup,"Please generate a molecule with 1 amide group, 1 halo group, and 1 sulfide group.",CCNC(=O)c1cc(C)sc1Br
AddComponent,Please add a hydroxyl to the molecule O=S1(=O)CC[N+]2(CC1)CC1CCC2C(CO)C1.,O=S1(=O)CC[N+]2(CC1)CC1CC(O)C2C(CO)C1
SubComponent,Please substitute a halo in the molecule O=S(=O)(c1ncccc1F)N1CCSc2ccccc21 with a thiol.,O=S(=O)(c1ncccc1S)N1CCSc2ccccc21
DelComponent,Modify the molecule benzene ring by removing a COC(=O)c1cc(C#C[Si](C)(C)C)c(NC(C)=O)cc1C.,COC(=O)CN(C#C[Si](C)(C)C)C(C)=O
LogP,Optimize the molecule Cc1nn(Cc2ccco2)c(C)c1-c1ccc(C#N)c(Cl)c1 to have a lower LogP value.,Cc1nn(Cc2ccco2)c(C)c1-c1ccc(C#N)cc1
MR,Modify the molecule Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc(F)cc3)ccc12 to have a lower MR value.,Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)NF)ccc12
QED,Optimize the molecule COc1ccc(-c2nnc(SCc3cccc(F)c3F)n2-c2ccccc2)cc1 to have a lower QED value.,CC(=O)c1cccc(CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)c1F
AtomNum,"There is a molecule consisting of 23 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CCC(Cc1ccccc1)Nc1ccccc1C(=O)c1ccccc1
BondNum,"The molecule contains 13 single bonds, 2 double bonds, and 5 rotatable bonds.",COCCCNC(=O)C1=CCC[NH+](C)C1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 halo group, 1 nitrile group, and 1 sulfide group.",N#Cc1ccc(Sc2ccc(I)cc2)c(CC(=O)[O-])c1
AddComponent,Add a benzene ring to the molecule CC[NH2+]C(C)CC(=O)Nc1cc(F)cc(Cl)c1.,CC[NH2+]C(C)CC(=O)Nc1cc(F)cc(Cl)c1-c1ccccc1
SubComponent,Modify the molecule Nc1ccc([O-])c2c1C(=O)c1c([O-])c(Br)cc(N)c1C2=O by substituting a halo with a nitrile.,N#Cc1cc(N)c2c(c1[O-])C(=O)c1c(N)ccc([O-])c1C2=O
DelComponent,Remove a Nc1ccc(C(=O)Nc2cc(F)cc(Cl)c2)c(N)c1 from the molecule benzene ring.,NNC(=O)Nc1cc(F)cc(Cl)c1
LogP,Please optimize the molecule Cc1ccc2c(c1)NC1(CCCCC1)C(=O)N2CC#N to have a higher LogP value.,Cc1ccc2c(c1)NC1(CCCCC1)C(=O)N2C
MR,Please optimize the molecule ClCC1CCCC[NH+]1CCOc1ccccc1 to have a higher MR value.,O=C([OH])CC1CCCC[NH+]1CCOc1ccccc1
QED,Please modify the molecule CCCCCCCCC=CCCCCCCCCCCCC1N=CC[N+]1(CC)C(C)O to decrease its QED value.,CCCCCCCCC=CCCCCCCCCCCCC1N=CC[N+]1(CC)CC
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",Nc1cccc(OCC(=O)NCCC2CCCO2)c1
BondNum,"The molecule has 26 single bonds, 4 double bonds, 13 rotatable bonds, and 12 aromatic bonds.",CSC(SCCCSOOO)=C1c2ccccc2N(CCCOC(=O)ON2C(=O)CCC2=O)c2ccccc21
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 3 halo groups.",Brc1cc(Br)cc(-c2ccc(I)cc2)c1
AddComponent,Add a hydroxyl to the molecule O=C([O-])CC(NC(=O)C1Cc2ccccc2O1)c1ccc(OC(F)(F)F)cc1.,O=C([O-])CC(NC(=O)C1Cc2ccccc2O1)c1ccc(OC(F)(F)F)cc1O
SubComponent,Modify the molecule hydroxyl by substituting a COc1ccc2c(c1)C(O)(C(C)C=CCC(=O)N1Cc3ccccc3CC1CO)C(=O)N2Cc1cccc(NC(=O)C2CCC[NH2+]C2)c1 with a aldehyde.,CC(=O)C1(C(C)C=CCC(=O)N2Cc3ccccc3CC2CO)C(=O)N(Cc2cccc(NC(=O)C3CCC[NH2+]C3)c2)c2ccc(OC)cc21
DelComponent,Modify the molecule benzene ring by removing a CC([NH+]=C1NC(=O)C(C)(c2ccnc(C(F)F)c2)S1)c1ccccc1F.,CC(F)[NH+]=C1NC(=O)C(C)(c2ccnc(C(F)F)c2)S1
LogP,Modify the molecule CC1(C)CC(O)(C2Cc3ccccc3N2)C(C)(C)O1 to increase its LogP value.,CC1(C)CC(C2Cc3ccccc3N2)C(C)(C)O1
MR,Modify the molecule CC(O)COc1ccc(Br)c(F)c1 to have a lower MR value.,CC(O)COc1ccc(NO)c(F)c1
QED,Modify the molecule CNS(=O)(=O)c1cccc(CNC(=O)c2cnc3ccccc3c2C(F)(F)F)c1 to decrease its QED value.,CNS(=O)(=O)c1cccc(CNC(=O)c2cnc3ccccc3c2C(F)(F)NO)c1
AtomNum,"There is a molecule consisting of 12 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",Cc1n[nH]nc1NC(=O)C=Cc1ccccc1
BondNum,"The molecule contains 17 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",CC1c2cc(F)ccc2CCN1C(=O)C1CC1c1cccc(C(F)(F)F)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, 1 amide group, 2 amine groups, and 3 halo groups.",CNC(=O)C1CCC(Nc2cc3c(cn2)nc(Nc2c(F)cc(F)cc2F)n3C2CCC(O)CC2)CC1
AddComponent,Modify the molecule COC1CN(C(=O)c2cn(C3C[NH2+]C3)nn2)CC1OC by adding a hydroxyl.,COC1CN(C(=O)c2cn(C3C[NH2+]C3)nn2)C(O)C1OC
SubComponent,Modify the molecule COCCC[NH2+]C(C)c1cccc(O)c1 by substituting a hydroxyl with a thiol.,COCCC[NH2+]C(C)c1cccc(S)c1
DelComponent,Please remove a Cc1ccccc1NC1(C(=O)[O-])CCCc2ccccc21 from the molecule amine.,Cc1ccccc1C1(C(=O)[O-])CCCc2ccccc21
LogP,Modify the molecule O=C(CCC(=O)c1ccc(F)cc1)OCc1cc(=O)oc2cc(O)ccc12 to decrease its LogP value.,O=C(CCC(=O)c1ccccc1)OCc1cc(=O)oc2cc(O)ccc12
MR,Optimize the molecule CCCCCCCCC=CCCCCCCCC(=O)C([NH3+])C(O)C(=O)CCCCCCCC=CCCCCCCCC to have a lower MR value.,CCCCCCCCC=CCCCCCCCC(=O)CC([NH3+])C(=O)CCCCCCCC=CCCCCCCCC
QED,Optimize the molecule CC(C)([NH3+])CCNc1ccccc1Cl to have a lower QED value.,CC(C)([NH3+])CCNc1ccccc1C#N
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC1(c2ccc3c(c2)OCCO3)CNCC[NH2+]1
BondNum,"The molecule contains 10 single bonds, 2 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COC(=O)c1ccc(NC(=O)CCNc2ccc(Cl)cc2)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 1 halo group, and 1 sulfide group.",CCCCCCCCCCCCCCOc1cc(CCN(C(C)=O)c2ccc(C[n+]3ccsc3)cc2)ccc1Cl
AddComponent,Modify the molecule c1cc[n+](N2CCNCC2)cc1 by adding a amine.,Nc1cc[n+](N2CCNCC2)cc1
SubComponent,Please substitute a halo in the molecule CCS(=O)c1ccccc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl with a nitrile.,CCS(=O)c1ccccc1C(=O)OCC(=O)NCc1ccc(C#N)cc1Cl
DelComponent,Please remove a amide from the molecule COc1ccc(NC(=O)C(=O)NCCO)cc1N1CCCCS1(=O)=O.,COc1ccc(N(O)CCO)cc1N1CCCCS1(=O)=O
LogP,Please modify the molecule CCC(CC(F)(F)F)NC(=O)N1CCC(C(=O)[O-])C1 to decrease its LogP value.,CCC(CC(F)F)NC(=O)N1CCC(C(=O)[O-])C1
MR,Please modify the molecule COCC[NH2+]Cc1cn(CCCSC)nn1 to increase its MR value.,COCC[NH2+]C(N)c1cn(CCCSC)nn1
QED,Modify the molecule COCc1cc2c(cc1COC)CC([NH2+]CC(O)c1ccc(OCc3ccccc3)c3[nH]c(=O)ccc13)C2 to have a lower QED value.,CC(=O)C(C[NH2+]C1Cc2cc(COC)c(COC)cc2C1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12
AtomNum,"There is a molecule consisting of 20 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1cc(NC(=O)C=Cc2ccccc2)n(-c2nc3c(F)cccc3s2)n1
BondNum,"There is a molecule composed of 12 single bonds, 3 double bonds, 4 rotatable bonds, and 17 aromatic bonds.",Cc1ccccc1CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 hydroxyl group, and 1 halo group.",CCOc1cccc(CC(CO)c2ccccc2F)c1
AddComponent,Add a amine to the molecule Nc1nc(Cl)nc(NCc2cccc(Cl)c2)n1.,Nc1nc(Cl)nc(NC(N)c2cccc(Cl)c2)n1
SubComponent,Modify the molecule CSCCC(O)c1cc2cccc(C)c2o1 by substituting a hydroxyl with a carboxyl.,CSCCC(C(=O)[OH])c1cc2cccc(C)c2o1
DelComponent,Please remove a benzene ring from the molecule O=C(c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12)N(Cc1ccco1)c1ccccc1.,O=C(NCc1ccco1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
LogP,Modify the molecule CC[NH2+]Cc1cn[nH]c1-c1cccc(C#N)c1 to decrease its LogP value.,CC[NH2+]Cc1cn[nH]c1-c1cccc(C(=O)[OH])c1
MR,Please modify the molecule CSC1(C[NH2+]Cc2ccc(O)c(Cl)c2)CCCC1 to increase its MR value.,CSC1(C[NH2+]Cc2cc(O)c(O)c(Cl)c2)CCCC1
QED,Modify the molecule Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCOCC3)c12 to increase its QED value.,O=C(c1cc(-c2cccs2)nc2onc(CO)c12)N1CCOCC1
AtomNum,"There is a molecule with 21 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(COc2ccc(Br)cc2)o1
BondNum,"There is a molecule composed of 8 single bonds, 1 rotatable bond, and 12 aromatic bonds.",Fc1cc(Br)ccc1C1CNc2ccccc2O1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, and 1 sulfone group.",CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
AddComponent,Add a hydroxyl to the molecule CC(NC(=O)C1CCCCC1(C)C)c1cccc(Br)c1.,CC(NC(=O)C1CCCCC1(C)CO)c1cccc(Br)c1
SubComponent,Substitute a halo in the molecule O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC(C[NH2+]CC1CC1)O2)c1c(F)cccc1Cl with a carboxyl.,O=C([OH])c1ccc(S(=O)(=O)N2CC(C[NH2+]CC3CC3)Oc3ccc(NC(=O)c4c(F)cccc4Cl)cc32)cc1
DelComponent,Remove a amide from the molecule COc1cccc(OCC(=O)N2CCC3(CC2)OCCS3)c1.,COc1cccc(OC2CCC3(C2)OCCS3)c1
LogP,Optimize the molecule Cc1ccc(N)c(C(=O)NC(C)c2ccsc2)c1 to have a higher LogP value.,Cc1cccc(C(=O)NC(C)c2ccsc2)c1
MR,Please modify the molecule O=C(Cc1ccc(F)cc1)N1C2CCC1c1cncnc1C2 to increase its MR value.,O=C(Cc1ccccc1)N1C2CCC1c1cncnc1C2
QED,Please optimize the molecule CC(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F to have a lower QED value.,CC(NS(=O)(=O)c1cc(-c2ccccc2)ccc1[N+](=O)[O-])c1ccccc1F
AtomNum,"The molecule consists of 20 carbon atoms, 9 oxygen atoms, and 1 nitrogen atom.",CC12OC(=O)C(C(=O)c3c([O-])cccc31)C2CC1=C([O-])C(=O)C(C(N)=O)=C([O-])C1=O
BondNum,"Please generate a molecule composed of 9 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",CCC(C)n1[nH]c(C2CC2)c(Br)c1=O
FunctionalGroup,Please generate a molecule composed of and 1 hydroxyl group.,CCC(CC)C[NH2+]CC1CCCC1CO
AddComponent,Modify the molecule COCCNC(=O)C(C)Nc1cc(NN)nc(C)n1 by adding a benzene ring.,COCCNC(=O)C(C)(Nc1cc(NN)nc(C)n1)c1ccccc1
SubComponent,Modify the molecule CCCCCCC1=S=C(c2ccc(-c3ccc(C4=C5C(=O)N(C)C(c6ccc(-c7ccc(-c8ccc(CCCCCC)s8)s7)s6)=C5C(=O)N4CCOCCOCCOCCOCCOCCO)s3)s2)C=C1 by substituting a hydroxyl with a thiol.,CCCCCCC1=S=C(c2ccc(-c3ccc(C4=C5C(=O)N(C)C(c6ccc(-c7ccc(-c8ccc(CCCCCC)s8)s7)s6)=C5C(=O)N4CCOCCOCCOCCOCCOCCS)s3)s2)C=C1
DelComponent,Please remove a halo from the molecule CCOC(=O)C1(C(=O)OCC)CC(=C(Br)c2ccccc2)C(OCC)C1.,CCOC(=O)C1(C(=O)OCC)CC(=Cc2ccccc2)C(OCC)C1
LogP,Optimize the molecule N#Cc1ccsc1NC(=O)CSc1ncccc1C(=O)[O-] to have a higher LogP value.,N#Cc1ccsc1Sc1ncccc1C(=O)[O-]
MR,Please optimize the molecule CCNC(=O)C1CC(NC(C)=O)C[NH+]1Cc1c[nH+]c(CC2CCCC2)[nH]1 to have a higher MR value.,CCNC(=O)C1CC(NC(C)=O)(c2ccccc2)C[NH+]1Cc1c[nH+]c(CC2CCCC2)[nH]1
QED,Modify the molecule CC[NH+](CC)CCNC(=O)CCc1ccc(N)cc1 to increase its QED value.,CC[NH+](CC)CCNC(=O)CCc1ccccc1
AtomNum,"There is a molecule with 19 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 bromine atom.",CCOC(=O)c1ccc2nc(NC(=S)NC(=O)c3cc(Br)ccc3OC)sc2c1
BondNum,"There is a molecule consisting of 12 single bonds, 5 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC(=O)Nc1cccc(NC(=O)CCN=C2NS(=O)(=O)c3ccccc32)c1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 hydroxyl group, 1 amine group, 1 thioether group, 1 sulfide group, and 1 sulfone group.",CSc1ccccc1Oc1c(NS(=O)(=O)c2ccccc2)ncnc1OCCO
AddComponent,Add a hydroxyl to the molecule OCC1CCc2c[nH+]c(-c3ccccc3F)n2C1.,OCC1CCc2c[nH+]c(-c3cc(O)ccc3F)n2C1
SubComponent,Please substitute a hydroxyl in the molecule CC(C)C(O)CNC(=O)C1CC[NH+](C(C)C)CC1 with a nitro.,CC(C)C(CNC(=O)C1CC[NH+](C(C)C)CC1)NO
DelComponent,Remove a benzene ring from the molecule CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1.,CCOCCOC(=O)NNC(=O)COc1ccc(Br)c(C)c1
LogP,Modify the molecule N#CC(c1ccc(Br)cc1)N1CCN(C(=O)CC2CCOC2)CC1 to have a higher LogP value.,N#CC(c1ccc(Br)cc1)N1CCN(C(=O)CC2CCOC2)C(c2ccccc2)C1
MR,Optimize the molecule Cn1cnc2c(C#N)nc(-c3ccc(OCC4CCOC4)c(C(F)(F)F)c3)cc21 to have a higher MR value.,CC(=O)C(F)(F)c1cc(-c2cc3c(ncn3C)c(C#N)n2)ccc1OCC1CCOC1
QED,Modify the molecule Cc1cc(C(O)C2C3C4CCC(C4)C32)c(C)cc1Br to have a lower QED value.,Cc1cc(C(O)C2C3C4CCC(C4)C32)c(C)cc1O
AtomNum,"The molecule contains 46 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCC(C)(CC(C)(C)C(=O)OCC=CC(C)(C)CC(C)(C)[NH3+])C(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)CCC[NH+](C)C
BondNum,"Please generate a molecule with 20 single bonds, 2 double bonds, 9 rotatable bonds, and 22 aromatic bonds.",CCOc1cc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)C2c2cn(CC)c3ccc(OC)cc23)ccc1OC
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 ketone group, 1 ester group, 1 nitro group, and 3 halo groups.",CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OCCOc1cccc(C(F)(F)F)c1
AddComponent,Add a benzene ring to the molecule O=[N+]([O-])N=NC(=[NH+]N(c1ccccc1)c1ccccc1)c1ccccc1.,O=[N+]([O-])N=NC(=[NH+]N(c1ccccc1)c1cccc(-c2ccccc2)c1)c1ccccc1
SubComponent,Substitute a CC(N)(C(=O)Cc1cc(F)cc(Br)c1)C(F)(F)F in the molecule halo with a nitro.,CC(N)(C(=O)Cc1cc(Br)cc(NO)c1)C(F)(F)F
DelComponent,Please remove a COC(=O)c1cc(N=Cc2cc(O)ccc2O)ccc1O from the molecule hydroxyl.,COC(=O)c1cc(N=Cc2cccc(O)c2)ccc1O
LogP,Please modify the molecule COc1ccc(C2C(C(=O)c3ccc(C#N)cc3)C(c3ccc4c(c3)OCO4)N(C(=O)C3CCCCC3)C2C(N)=O)cc1OC to increase its LogP value.,COc1ccc(C2C(C(N)=O)C3CCCCC3(c3ccc4c(c3)OCO4)C2C(=O)c2ccc(C#N)cc2)cc1OC
MR,Modify the molecule CCCCCc1ccc(C2CCC(C3CCC(C=CC#N)CC3)CC2)cc1 to have a lower MR value.,CCCCCC1CCC(C2CCC(C=CC#N)CC2)CC1
QED,Optimize the molecule O=S(=O)(NCc1ccc(CBr)cc1)c1ccc(Cl)c(Cl)c1 to have a higher QED value.,O=S(=O)(NCc1ccc(CBr)cc1)c1ccc(Cl)cc1
AtomNum,"Please generate a molecule consisting 29 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",COc1ccc(C2C(c3ccc(OCC(C)C)c(OC)c3)=C(O)C(=O)N2c2ccc(F)c(F)c2F)cc1OC
BondNum,"The molecule has 8 single bonds, 1 double bond, 4 rotatable bonds, and 15 aromatic bonds.",COCc1nc(C(=O)Nc2nc3cc(Cl)ccc3n2C)cs1
FunctionalGroup,"There is a molecule with 1 ketone group, 2 amide groups, and 1 halo group.",CCC1(CC)C(=O)NC(=O)C(Cl)C1=O
AddComponent,Modify the molecule COc1ccc(C(C)=C2SC(=O)N(c3cccc(C)c3C)C2=O)cc1 by adding a benzene ring.,COc1ccc(C(C)=C2SC(=O)N(c3ccc(-c4ccccc4)c(C)c3C)C2=O)cc1
SubComponent,Modify the molecule Cc1ccc(N(CC(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)S(=O)(=O)N(C)C)cc1 by substituting a halo with a nitro.,Cc1ccc(N(CC(=O)NCC2CC[NH+](Cc3ccc(NO)cc3)CC2)S(=O)(=O)N(C)C)cc1
DelComponent,Remove a hydroxyl from the molecule Cc1ncsc1C(=O)N1CCC2(CC1)C(O)CC2OCC[NH+](C)C.,Cc1ncsc1C(=O)N1CCC2(CCC2OCC[NH+](C)C)CC1
LogP,Please modify the molecule CCCCC1=C2C=CCCC2=C2C=CC=CC2OP(O)O1 to decrease its LogP value.,CCCCC1=C2C(C(=O)O)=CCCC2=C2C=CC=CC2OP(O)O1
MR,Modify the molecule CCOC(=O)c1ccc(NCCCCCCCCCCCC#Cc2ccc(Cl)c(Cl)c2)cc1 to have a higher MR value.,CCOC(=O)c1ccc(NCCCCCCCCCCCC#Cc2ccc(C(=O)[OH])c(Cl)c2)cc1
QED,Modify the molecule COCCCC(NC(=O)COc1ccc(Br)cc1)C(=O)[O-] to have a lower QED value.,CC(=O)c1ccc(OCC(=O)NC(CCCOC)C(=O)[O-])cc1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 3 fluorine atoms.",COc1ccc(C2=NN3C(=[NH+]C(O)(C(F)(F)F)CC3S(=O)(=O)c3ccccc3)S2)cc1
BondNum,"The molecule has 8 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",[NH3+]C1(C(F)c2cccc(O)c2)CC1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 3 halo groups, 1 thioether group, and 1 sulfide group.",O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N1CCN(c2cccc(Cl)c2)CC1
AddComponent,Please add a amine to the molecule Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2cccc(OCc3ccccc3)c2)cc1C.,Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2cccc(OCc3ccc(N)cc3)c2)cc1C
SubComponent,Please substitute a CCCCCCCCCCCCCCCCCCN(C(=S)CCCCC)C(CO)OCCOCCOCCOCCOCCO in the molecule hydroxyl with a nitro.,CCCCCCCCCCCCCCCCCCN(C(=S)CCCCC)C(CNO)OCCOCCOCCOCCOCCO
DelComponent,Modify the molecule halo by removing a CCCOCCOCCOCCOCC([NH3+])c1cccc(C(=O)Nc2ccc(N(CC)CC)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.,CCCOCCOCCOCCOCC([NH3+])c1cccc(C(=O)Nc2ccc(N(CC)CC)cc2-c2cc(C(=O)NCc3cccc(C(F)F)c3)ccn2)c1
LogP,Optimize the molecule CC1=CC=CC(C)C(O)C(C)C(O)C(C)C(C)C(C)C(C)C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC1=O to have a lower LogP value.,CC1=CC=CC(C)C(O)(C(=O)O)C(C)C(O)C(C)C(C)C(C)C(C)C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC1=O
MR,Please modify the molecule CCOc1ccc(C(=O)[O-])cc1C=Cc1ccc(F)cc1 to decrease its MR value.,CCOC(=Cc1ccc(F)cc1)C(=O)[O-]
QED,Modify the molecule COc1ccc(-c2nc(C[NH3+])n(C)n2)cc1Cl to decrease its QED value.,CC(=O)c1cc(-c2nc(C[NH3+])n(C)n2)ccc1OC
AtomNum,"The molecule contains 25 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(-c2cc(CC(=O)Nc3ccc(Nc4ccccc4)cc3)no2)cc1OC
BondNum,"Please generate a molecule with 9 single bonds, 4 double bonds, and 3 rotatable bonds.",C=CC=C(C=CC)C(=O)OC(C)(C)C
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, and 2 halo groups.",O=C(CCc1cccc(F)c1)Nc1ccnn1Cc1ccccc1F
AddComponent,Modify the molecule CSN1CCC(C)(S(=O)(=O)CC(C)C)CC1 by adding a hydroxyl.,CSN1CCC(C)(S(=O)(=O)CC(C)CO)CC1
SubComponent,Substitute a CC(C)Cc1cc(C=NC2CCCC(N=Cc3cc(CC(C)C)cc(C(C)(C)C)c3O)C2)c(O)c(C(C)(C)C)c1 in the molecule hydroxyl with a nitro.,CC(C)Cc1cc(C=NC2CCCC(N=Cc3cc(CC(C)C)cc(C(C)(C)C)c3NO)C2)c(O)c(C(C)(C)C)c1
DelComponent,Modify the molecule benzene ring by removing a CS(=O)(=O)NC(COc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1.,CS(=O)(=O)NC(COc1ccc(F)c(C(N)=O)c1F)c1nc(C(F)(F)F)c(Br)o1
LogP,Please optimize the molecule COc1ccc(C(=O)NCC(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)cc1 to have a lower LogP value.,COc1ccc(C(=O)NCC(=O)OCc2c(C#N)c(C)nn2-c2ccccc2O)cc1
MR,Please modify the molecule CCNc1ncc(Br)c(Oc2ncn(C)n2)n1 to decrease its MR value.,CCNc1ncc(C#N)c(Oc2ncn(C)n2)n1
QED,Please modify the molecule CC[NH+](C)CC(C)C(CC)(OS(=O)[O-])c1cccc(OC)c1 to decrease its QED value.,CC[NH+](C)CC(C)C(CC)(OC)OS(=O)[O-]
AtomNum,"Please generate a molecule composed of 26 carbon atoms, 6 oxygen atoms, and 1 nitrogen atom.",COc1cc(C)cc2oc(=O)c(CC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c(C)c12
BondNum,"Please generate a molecule consisting 6 single bonds, 1 double bond, 1 rotatable bond, and 12 aromatic bonds.",O=C1NC(c2ccccc2)c2c(F)cccc21
FunctionalGroup,The molecule consists of and 2 amide groups.,O=C(CCCCCCCCCC(=O)NCCn1ccnc1)NCCc1cnc[nH]1
AddComponent,Add a carboxyl to the molecule CCNC(=O)CCNc1cc2c(cc1N)OCCO2.,CC(NC(=O)CCNc1cc2c(cc1N)OCCO2)C(=O)O
SubComponent,Modify the molecule halo by substituting a C[NH+]1Cc2ccc(-c3cc4cn[nH]c4cc3NC(=O)c3csc(-n4ccc(C(F)(F)F)n4)n3)cc2C1 with a nitro.,C[NH+]1Cc2ccc(-c3cc4cn[nH]c4cc3NC(=O)c3csc(-n4ccc(C(F)(F)NO)n4)n3)cc2C1
DelComponent,Remove a amine from the molecule ONOP(O)C(O)(Cn1ccnc1)[P+](O)(O)O.,OOP(O)C(O)(Cn1ccnc1)[P+](O)(O)O
LogP,Please modify the molecule CCc1ccc(CC(=O)c2ccc(C(F)(F)F)cc2)nc1 to decrease its LogP value.,CCc1ccc(CC(=O)c2ccc(C(F)(F)C(=O)[OH])cc2)nc1
MR,Please optimize the molecule O=C([O-])CSc1n[nH]c(-c2cccc(C(=O)[O-])c2)n1 to have a lower MR value.,O=C([O-])CSc1n[nH]c(C(=O)[O-])n1
QED,Modify the molecule CC1(C)C2CCC1(CS(=O)N=Cc1cccc(Cl)c1)C(O[Si](C)(C)C)C2 to decrease its QED value.,CC1(C)C2(CC=O)CCC1(CS(=O)N=Cc1cccc(Cl)c1)C(O[Si](C)(C)C)C2
AtomNum,"The molecule contains 27 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CC(C)N(C(=O)Cn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21)C(C)C
BondNum,"Please generate a molecule composed of 19 single bonds, 2 double bonds, 11 rotatable bonds, and 11 aromatic bonds.",CCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C1CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, and 2 nitro groups.",CC1([N+](=O)[O-])C=C(C(=O)NCCOc2ccccc2)C=C([N+](=O)[O-])C1
AddComponent,Add a benzene ring to the molecule O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Cl)n1.,O=C(Nc1cc(-c2ccccc2)c(F)c([N+](=O)[O-])c1)c1cccc(Cl)n1
SubComponent,Modify the molecule O=C1c2nsnc2NCCN1CCO by substituting a hydroxyl with a nitro.,ONCCN1CCNc2nsnc2C1=O
DelComponent,Please remove a COc1ccccc1OCc1nc(-c2ccccn2)no1 from the molecule benzene ring.,COOCc1nc(-c2ccccn2)no1
LogP,Please modify the molecule Clc1cc2cc(Cl)c(Cl)cc2s1 to decrease its LogP value.,O=C([OH])c1cc2cc(Cl)c(Cl)cc2s1
MR,Modify the molecule Cc1cc(Br)ccc1C[NH+]=C(NCC(=O)N(C)C)NCC1CCOC1 to have a lower MR value.,Cc1cc(Br)ccc1CC(NCC(=O)N(C)C)NCC1CCOC1
QED,Please optimize the molecule CC(SCCCl)C(C)SCCCl to have a higher QED value.,CC(SCCCl)C(CO)SCCCl
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COc1ccc(S(=O)(=O)NCCOc2cc(C)c(C)cc2C)c(C)c1
BondNum,"Please generate a molecule consisting 18 single bonds, 1 double bond, 6 rotatable bonds, and 18 aromatic bonds.",COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 2 amide groups.",CCOc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)C(C)=O)cc1
AddComponent,Please add a benzene ring to the molecule Cc1cc(C)c(C(=O)NC(C)c2ccccc2N)c(C)c1.,Cc1cc(C)c(C(=O)NC(C)c2ccccc2N)c(Cc2ccccc2)c1
SubComponent,Please substitute a halo in the molecule C=CC[n+]1c(C)n(C)c2cc(C(=O)OC)c(Nc3ccc(I)c(F)c3)c(F)c21 with a nitrile.,C=CC[n+]1c(C)n(C)c2cc(C(=O)OC)c(Nc3ccc(C#N)c(F)c3)c(F)c21
DelComponent,Please remove a halo from the molecule C[NH2+]C(C)c1cc(Br)ccc1N(C)Cc1ccc(C)o1.,C[NH2+]C(C)c1ccccc1N(C)Cc1ccc(C)o1
LogP,Modify the molecule O=C(OCc1ccccc1F)c1cc(-c2cccnc2)nc2ccccc12 to decrease its LogP value.,Nc1ccc2nc(-c3cccnc3)cc(C(=O)OCc3ccccc3F)c2c1
MR,Modify the molecule Clc1ccc(C(Br)C2CC3CCC2O3)s1 to increase its MR value.,Clc1cc(-c2ccccc2)c(C(Br)C2CC3CCC2O3)s1
QED,Optimize the molecule O=c1cc(Nc2ccccc2)[nH]n1-c1ccccc1 to have a lower QED value.,Nc1cc(=O)n(-c2ccccc2)[nH]1
AtomNum,"There is a molecule with 18 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1cccc(OC)c1C(=O)Nc1cnc2ccccc2c1
BondNum,"Please generate a molecule with 36 single bonds, 5 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(NC(=O)c2cccc(C)c2NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)N4CCCCC4)cc3C)CC2)c(F)c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 amine group, 1 nitro group, and 2 halo groups.",O=C(NCCc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)CN1
AddComponent,Modify the molecule COc1ccc(CC(=O)NCC(CCO)c2ccccc2)c(Cl)c1 by adding a hydroxyl.,COc1ccc(CC(=O)NCC(CCO)c2ccc(O)cc2)c(Cl)c1
SubComponent,Please substitute a halo in the molecule COc1cc2c3c(c4nc(F)c(O)cc4c2cc1OC)CC1CCCC1(S(=O)(=O)[O-])C3 with a nitrile.,COc1cc2c3c(c4nc(C#N)c(O)cc4c2cc1OC)CC1CCCC1(S(=O)(=O)[O-])C3
DelComponent,Remove a amide from the molecule Cc1ccc(C(C)(O)CNC(=O)CCOc2ccc(C)c(C)c2)o1.,Cc1ccc(C(C)(O)CCOc2ccc(C)c(C)c2)o1
LogP,Modify the molecule CCCc1noc(C([NH3+])CCS(C)(=O)=O)n1 to have a higher LogP value.,CCCc1noc(C([NH3+])CC(c2ccccc2)S(C)(=O)=O)n1
MR,Modify the molecule Cn1nc(C(C)(F)F)cc1C(=O)[O-] to have a higher MR value.,CC(=O)C(C)(F)c1cc(C(=O)[O-])n(C)n1
QED,Please modify the molecule Cc1cccc(OCCNC(=O)CNc2ccc(F)c(Cl)c2)c1 to decrease its QED value.,Cc1cccc(OCCNC(=O)CNc2ccc(NO)c(Cl)c2)c1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1cc(C(=O)NCC2CCCC(O)C2)c(C)n1Cc1ccccn1
BondNum,"The molecule contains 31 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CC1C([Si](C)(C)F)C(CC(=O)N2CCCC2CO)OC12C(=O)N(c1ccccc1)c1ccc(N3CCOC3=O)cc12
FunctionalGroup,"There is a molecule consisting of 2 thioether groups, and 1 sulfide group.",CCCCCCCCCCCC1C[NH2+]CC(C(C)C)S1
AddComponent,Modify the molecule Cc1cc(C(F)(F)F)ccc1CF by adding a hydroxyl.,Cc1c(CF)ccc(C(F)(F)F)c1O
SubComponent,Modify the molecule CC(C)C(C)C(=O)c1ccncc1Cl by substituting a halo with a aldehyde.,CC(=O)c1cnccc1C(=O)C(C)C(C)C
DelComponent,Please remove a Fc1ccc(Oc2cncc(Br)c2)cc1F from the molecule halo.,Fc1cccc(Oc2cncc(Br)c2)c1
LogP,Modify the molecule OCC1(Nc2cc[nH+]cc2)CCOC1 to have a lower LogP value.,OCC1(Nc2cc[nH+]cc2O)CCOC1
MR,Modify the molecule CCCCS(=O)CC(COc1ccccc1)OC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N to increase its MR value.,CCCCS(=O)CC(COc1ccccc1)OC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1S
QED,Please optimize the molecule CC=C(N=Cc1nnn(-c2cccc(COCCOC)c2)c1C)SC to have a higher QED value.,CC=C(N=Cc1nnn(COCCOC)c1C)SC
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 fluorine atom, and 1 bromine atom.",CC[NH2+]C1CC(Oc2ccc(F)c(Br)c2)C1(CC)CC
BondNum,"The molecule is composed of 21 single bonds, 3 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CCCN(C(=O)CNC(=O)OC(C)(C)C)C(C(=O)Nc1c(C)cccc1C)c1ccc(CC)cc1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 2 halo groups, and 1 sulfone group.",CC1(C)CC2(CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)CN1S(=O)(=O)c1cccc(Cl)c1
AddComponent,Add a benzene ring to the molecule Nc1ccc(SCC2CCOCO2)cn1.,Nc1cc(-c2ccccc2)c(SCC2CCOCO2)cn1
SubComponent,Please substitute a O=C(Cc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OC2CCCC2)c1 in the molecule halo with a hydroxyl.,O=C(Cc1c(O)cncc1Cl)c1ccc(OC(F)F)c(OC2CCCC2)c1
DelComponent,Modify the molecule CC12CCN(C(=O)c3cccnc3)C1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 by removing a amide.,CC12CCN(C(=O)c3cccnc3)C1CC2c1ccc(C(F)(F)F)cc1
LogP,Optimize the molecule COc1cccc(C2=C3N=CC=C(N(C)c4cccc(C)c4)N3CCC(C)=C2)c1 to have a higher LogP value.,COc1cccc(C2=C3N=CC=C(N(C)c4ccc(-c5ccccc5)c(C)c4)N3CCC(C)=C2)c1
MR,Please modify the molecule O=c1c2c3n(c(=O)cc2[nH]n1-c1ccccc1Cl)CCC[NH+](Cc1cccc(Cl)c1)C3 to increase its MR value.,CC(=O)c1ccccc1-n1[nH]c2cc(=O)n3c(c2c1=O)C[NH+](Cc1cccc(Cl)c1)CCC3
QED,Please modify the molecule O=C([O-])C1=CNC=C(C(=O)[O-])C1c1ccccn1 to decrease its QED value.,O=C([O-])C1=CC=C(C(=O)[O-])C1c1ccccn1
AtomNum,"The molecule contains 24 carbon atoms, 3 oxygen atoms, 10 nitrogen atoms, and 1 chlorine atom.",COC(=O)N(C)C1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4[nH+]cc(C#N)n4n3)c2Cl)CC1O
BondNum,"The molecule contains 11 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1cc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cnc1C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amine groups.",CCOc1cccc([S-])c1NN
AddComponent,Please add a benzene ring to the molecule CCn1c(CN2C(=O)c3ccccc3C2=O)nc2ccc(Br)cc21.,CCn1c(CN2C(=O)c3ccc(-c4ccccc4)cc3C2=O)nc2ccc(Br)cc21
SubComponent,Substitute a halo in the molecule CCOc1ccccc1NC1=C(c2ccc(C)c(C)c2)C(=O)N(c2ccc(F)c(Cl)c2)C1=O with a hydroxyl.,CCOc1ccccc1NC1=C(c2ccc(C)c(C)c2)C(=O)N(c2ccc(O)c(Cl)c2)C1=O
DelComponent,Please remove a amide from the molecule COCC[NH2+]CC(=O)NCCCc1nc2c(s1)CCCC2.,COCC[NH2+]CCCc1nc2c(s1)CCCC2
LogP,Please modify the molecule CCN(CC)C[N+]12CC=CC1=COc1ccc(Cl)cc1C2 to decrease its LogP value.,CCN(C[N+]12CC=CC1=COc1ccc(Cl)cc1C2)C(C)O
MR,Please modify the molecule CC(C)c1nc(N)cc(S(C)(=O)=O)n1 to increase its MR value.,CC(C)(S)c1nc(N)cc(S(C)(=O)=O)n1
QED,Modify the molecule CCCc1ccc(OCCOc2ccccc2C=C(C#N)C(=O)[O-])cc1 to have a lower QED value.,CC(=O)C(=Cc1ccccc1OCCOc1ccc(CCC)cc1)C(=O)[O-]
AtomNum,"There is a molecule composed of 18 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",COc1cccc(C[NH2+]C(C)c2c(C)cc(C)nc2C)c1
BondNum,"There is a molecule composed of 12 single bonds, 1 double bond, 5 rotatable bonds, and 20 aromatic bonds.",CCCNC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccco2)(c2ccco2)[NH2+]1
FunctionalGroup,"There is a molecule with 3 hydroxyl groups, 1 amide group, and 2 halo groups.",CC(C)C(=O)NC1C(C(O)C(O)CO)OC(C)(F)C(F)C1n1nnc2ccccc21
AddComponent,Modify the molecule C#CCCCC(O)CCCC by adding a benzene ring.,CCCCC(O)CCCC#Cc1ccccc1
SubComponent,Modify the molecule halo by substituting a CCCn1nncc1C(O)CSc1ccc(Cl)cc1 with a nitro.,CCCn1nncc1C(O)CSc1ccc(NO)cc1
DelComponent,Remove a C=C(C)C1CN(S(=O)(=O)c2ccc(C)cc2)CC2C1C(C(=O)OCC)C(=O)OC2(C(=O)OCC)C(=O)OCC from the molecule benzene ring.,C=C(C)C1CN(S(C)(=O)=O)CC2C1C(C(=O)OCC)C(=O)OC2(C(=O)OCC)C(=O)OCC
LogP,Modify the molecule O=C(C1CCCc2nn(Cc3cccc(Cl)c3)c(=O)n21)N1CCC(F)(F)C1 to have a lower LogP value.,O=C(C1CCCc2nn(CCl)c(=O)n21)N1CCC(F)(F)C1
MR,Modify the molecule Cc1nc(CNC(=O)C2CC(=O)N(Cc3cccnc3)C2)nc2c1CCCC2 to have a lower MR value.,Cc1nc(C2CC(=O)N(Cc3cccnc3)C2)nc2c1CCCC2
QED,Modify the molecule COc1ccnc2c1c(-c1cc(Cl)nc(NC3CCCCC3)c1)cn2S(=O)(=O)c1ccccc1 to increase its QED value.,COc1ccnc2c1c(-c1ccnc(NC3CCCCC3)c1)cn2S(=O)(=O)c1ccccc1
AtomNum,"Please generate a molecule with 16 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 chlorine atoms.",[NH3+]C(Cc1ccc(Cl)cc1)c1cc(Cl)cc2c1OCC2
BondNum,"The molecule consists of 7 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",CCn1cc(C(C)C(=O)[O-])c2ccc(O)cc21
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, and 2 amine groups.",CCNC(=[NH+]Cc1cc(OC)c(O)c(OC)c1)N1CC[NH+](C2CC3CCC2C3)CC1
AddComponent,Please add a benzene ring to the molecule CCCCCCCCCC(=O)c1ccncc1CC.,CCCCCCCCCC(=O)c1cc(-c2ccccc2)ncc1CC
SubComponent,Substitute a halo in the molecule Cc1cc(C)nc(SC2=C(Nc3ccc(Br)cc3)C(=O)N(c3ccc(F)cc3)C2=O)n1 with a hydroxyl.,Cc1cc(C)nc(SC2=C(Nc3ccc(O)cc3)C(=O)N(c3ccc(F)cc3)C2=O)n1
DelComponent,Please remove a CSCCCC(=O)NCc1cn(CC(=O)[O-])nn1 from the molecule amide.,CSCCCc1cn(CC(=O)[O-])nn1
LogP,Please optimize the molecule Cc1cc(-c2ccccc2)c2c(n1)sc1c(N3CC[NH2+]CC3)nc(Cl)nc12 to have a lower LogP value.,CC(=O)c1nc(N2CC[NH2+]CC2)c2sc3nc(C)cc(-c4ccccc4)c3c2n1
MR,Modify the molecule NC(=S)c1cc(-c2ccccc2)cn2nc(-c3cccc(Cl)c3)nc12 to have a higher MR value.,NC(=S)c1cc(-c2ccccc2)cn2nc(-c3cccc(S)c3)nc12
QED,Please modify the molecule Cc1ccc(OCC(O)C[NH+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c(C)c1 to decrease its QED value.,Cc1ccc(OCC(C[NH+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)NO)c(C)c1
AtomNum,"The molecule is composed of 12 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 chlorine atoms.",O=C([O-])c1cc(Cl)c(NC(=O)C2CCC[NH2+]2)c(Cl)c1
BondNum,"The molecule consists of 15 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",CC(C)C[NH2+]Cc1cc(F)cc(OCCCC(F)(F)F)c1
FunctionalGroup,"There is a molecule consisting of 1 ester group, and 1 sulfide group.",COC(=O)c1sccc1-n1ccnn1
AddComponent,Please add a hydroxyl to the molecule CCCCCCC(=O)Oc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.,CCCCCCC(=O)Oc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)c(O)c1
SubComponent,Modify the molecule COCC1CCN(C(=O)c2ncccc2C#CCO)CC1 by substituting a hydroxyl with a carboxyl.,COCC1CCN(C(=O)c2ncccc2C#CCC(=O)[OH])CC1
DelComponent,Modify the molecule benzene ring by removing a C1=CC2C(C1)CC2[NH2+]CCOc1ccccc1.,OCC[NH2+]C1CC2CC=CC21
LogP,Modify the molecule CCOC(=O)c1cccc(S(=O)(=O)NCCSc2ccc(C)cc2)c1 to have a higher LogP value.,CCOC(=O)c1ccc(-c2ccccc2)c(S(=O)(=O)NCCSc2ccc(C)cc2)c1
MR,Optimize the molecule CN(Cc1cn[nH]c1)C(=O)c1cc(F)c(F)c([O-])c1F to have a higher MR value.,CC(=O)c1cc(C(=O)N(C)Cc2cn[nH]c2)c(F)c([O-])c1F
QED,Modify the molecule COc1ccc(-c2nc3sc(N(C)CC(=O)NCCC(C)[NH+]4CCCC4)nn3c2NC(C)(C)C)cc1 to have a higher QED value.,COc1ccc(-c2nc3sc(N(C)CCC(C)[NH+]4CCCC4)nn3c2NC(C)(C)C)cc1
AtomNum,"The molecule contains 19 carbon atoms, and 2 oxygen atoms.",CCCCCCCCCCCCCCCCC1(CO)CO1
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C(C)=O)cc1C[NH+](C)Cc1ccc2c(c1)OCO2
FunctionalGroup,"The molecule has 1 amide group, and 1 sulfide group.",C[NH2+]CC(C)C(=O)NCC(c1cccs1)[NH+]1CCCC1
AddComponent,Modify the molecule COc1ccc(C(=O)NCCCNC(=O)c2ccc(C[NH3+])cc2)cc1OC by adding a carboxyl.,COc1ccc(C(=O)NCCCNC(=O)c2ccc(C[NH3+])cc2C(=O)O)cc1OC
SubComponent,Modify the molecule halo by substituting a CCOc1ncccc1C(=O)Nc1nc(-c2ccccc2Cl)cs1 with a hydroxyl.,CCOc1ncccc1C(=O)Nc1nc(-c2ccccc2O)cs1
DelComponent,Remove a halo from the molecule CSc1cccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1.,CSc1cccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1
LogP,Optimize the molecule Cc1cccc(NC(=O)N2CCC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 to have a lower LogP value.,Cc1cccc(NC(=O)N2CCC[NH+](Cc3ccc(O)c(F)c3)CC2)c1
MR,Please optimize the molecule CCC(CC)CC([NH3+])CSc1ccccc1C to have a higher MR value.,CCC(CC)C(N)C([NH3+])CSc1ccccc1C
QED,Please modify the molecule COc1ccccc1CNc1cc(=S)nc(C(C)C)[nH]1 to decrease its QED value.,COCNc1cc(=S)nc(C(C)C)[nH]1
AtomNum,"The molecule is composed of 75 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1ccccc1N(c1ccc2cc3c(cc2c1)C1(c2ccccc2-c2c1ccc1ccccc21)c1c-3ccc2cc(N(c3ccccc3C)c3cccc4c3oc3ccccc34)ccc12)c1cccc2c1oc1ccccc12
BondNum,"The molecule has 8 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1cc(N)c(Oc2cccc(Br)c2)cc1OC
FunctionalGroup,There is a molecule with and 1 amide group.,O=C(NC1CCCC1)c1ccc(N2CCC(OCC3CC3)CC2)nn1
AddComponent,Add a benzene ring to the molecule C[NH+]=C(NCCCC1CC1)NCCCn1cccn1.,c1ccc(C[NH+]=C(NCCCC2CC2)NCCCn2cccn2)cc1
SubComponent,Please substitute a CCC(CC)(NS(=O)(=O)c1ccc(F)cc1)C(N)=[NH2+] in the molecule halo with a thiol.,CCC(CC)(NS(=O)(=O)c1ccc(S)cc1)C(N)=[NH2+]
DelComponent,Modify the molecule CCc1nc(Cl)c(C)c(Oc2ccc([N+](=O)[O-])cc2F)n1 by removing a halo.,CCc1nc(Cl)c(C)c(Oc2ccc([N+](=O)[O-])cc2)n1
LogP,Please optimize the molecule CCn1c(=O)n(-c2ccc(F)cc2)c2nc(-c3ccc(F)c(F)c3)nc(C(N)=O)c21 to have a lower LogP value.,CCn1c(=O)n(-c2ccc(C#N)cc2)c2nc(-c3ccc(F)c(F)c3)nc(C(N)=O)c21
MR,Modify the molecule Cc1c(-c2ccccc2)c(Sc2ccccc2)n(-c2ccccc2)c1C to increase its MR value.,Cc1c(-c2ccccc2)c(Sc2ccccc2)n(-c2ccc(O)cc2)c1C
QED,Optimize the molecule CCC1CCCC(C(O)Cc2ccc(F)c(Br)c2)C1 to have a lower QED value.,CC(=O)C(Cc1ccc(F)c(Br)c1)C1CCCC(CC)C1
AtomNum,"The molecule consists of 9 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC(C)C1(C)CC(=O)CC[NH2+]1
BondNum,"There is a molecule composed of 19 single bonds, 1 double bond, 8 rotatable bonds, and 11 aromatic bonds.",COCCn1nc(C)c(CNC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)c1C
FunctionalGroup,"The molecule has 2 ester groups, 1 amine group, and 5 halo groups.",CCOC(=O)c1c(C(F)(F)F)[nH+]c(C(F)F)c(C(=O)OC)c1NC1(C)CC1
AddComponent,Add a carboxyl to the molecule C=CCN(Cc1ccccc1Cl)C(=O)c1nn(C)c2ccc(C)cc2c1=O.,C=CCN(C(=O)c1nn(C)c2ccc(C)cc2c1=O)C(C(=O)O)c1ccccc1Cl
SubComponent,Please substitute a halo in the molecule Cc1nsc(NC(=O)c2ccc(Cl)cc2)c1C(=O)NCc1ccc(Cl)cc1 with a carboxyl.,Cc1nsc(NC(=O)c2ccc(C(=O)[OH])cc2)c1C(=O)NCc1ccc(Cl)cc1
DelComponent,Remove a COc1ccc(C(=O)NC2CCc3[nH]ncc3C2)c(OCC(C)C)c1 from the molecule amide.,COc1cc-c(OCC(C)C)(C2CCc3[nH]ncc3C2)c1
LogP,Please optimize the molecule COc1ccc(Cc2c[nH+]c(-c3c(Cl)cccc3Cl)[nH]2)cc1F to have a lower LogP value.,COc1ccc(Cc2c[nH+]c(-c3c(S)cccc3Cl)[nH]2)cc1F
MR,Please modify the molecule CC(C)[NH2+]CC(=O)c1ccc(OC(C)C)c(F)c1 to increase its MR value.,CC(C)[NH2+]CC(=O)c1ccc(OC(C)Cc2ccccc2)c(F)c1
QED,Please optimize the molecule CCOC(=O)C1CC[NH+](Cc2ccnc(Cl)n2)CC1 to have a higher QED value.,CCOC(=O)C1CC[NH+](Cc2ccncn2)CC1
AtomNum,"The molecule has 22 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 5 fluorine atoms.",CC(C)(Cc1c[nH+]c(CC(O)(c2ccc(-c3ccc(F)cn3)cc2)C(F)F)[nH]1)C(F)F
BondNum,"The molecule consists of 5 single bonds, 1 double bond, 4 rotatable bonds, and 10 aromatic bonds.",O=C([O-])CCc1ncc(-c2ccco2)o1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 ester group, 1 thioether group, and 1 sulfide group.",COC(=O)c1cccc(CSc2nncn2N=Cc2ccccc2C(=O)[O-])c1
AddComponent,Modify the molecule Cc1ccc2noc(CCC(=O)[O-])c2c1 by adding a amine.,Cc1cc(N)c2noc(CCC(=O)[O-])c2c1
SubComponent,Please substitute a halo in the molecule COc1ccc(NC(=O)Nc2ccc(F)cc2C)cc1 with a hydroxyl.,COc1ccc(NC(=O)Nc2ccc(O)cc2C)cc1
DelComponent,Please remove a COc1ccc(OC)c(C(O)CC[NH2+]C(C)C)c1 from the molecule hydroxyl.,COc1ccc(OC)c(CCC[NH2+]C(C)C)c1
LogP,Optimize the molecule Cc1cc(-c2nnn(CC(=O)N(C)Cc3c(F)cccc3Cl)n2)ccc1F to have a higher LogP value.,Cc1c(F)ccc(-c2nnn(CC(=O)N(C)Cc3c(F)cccc3Cl)n2)c1-c1ccccc1
MR,Modify the molecule CC1(CNC(=O)OCCO)COC1 to have a lower MR value.,CCOC(=O)NCC1(C)COC1
QED,Optimize the molecule CN(CCOCCO)c1ccc(N=Nc2ccc(C#N)cc2)cc1 to have a lower QED value.,CN(CCOCCNO)c1ccc(N=Nc2ccc(C#N)cc2)cc1
AtomNum,"The molecule has 22 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(-c4noc(C)n4)c3)CC2)c(Cl)c1
BondNum,"The molecule has 10 single bonds, 7 rotatable bonds, and 11 aromatic bonds.",CC(C)(CCCCl)C[NH2+]Cc1ccnc2ccccc12
FunctionalGroup,"Please generate a molecule consisting 1 ester group, 1 amine group, and 1 halo group.",COC(=O)c1nc(-c2cccnc2OC)nc(N)c1Cl
AddComponent,Modify the molecule NC(N)=[NH+]CCCC([NH3+])C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NCC(=O)[O-] by adding a benzene ring.,NC(N)=[NH+]C(CCC([NH3+])C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NCC(=O)[O-])c1ccccc1
SubComponent,Modify the molecule halo by substituting a COc1ccc(N2C(=S)NC(c3c(F)cccc3F)C(C(=O)N(C)C)=C2C)cc1 with a aldehyde.,CC(=O)c1cccc(F)c1C1NC(=S)N(c2ccc(OC)cc2)C(C)=C1C(=O)N(C)C
DelComponent,Modify the molecule hydroxyl by removing a CC(C)[NH2+]CCN1CCC(CO)CC1.,CC1CCN(CC[NH2+]C(C)C)CC1
LogP,Please optimize the molecule COCCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2C1c1ccc(Cl)cc1 to have a lower LogP value.,COCCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2C1c1ccc(C(=O)[OH])cc1
MR,Optimize the molecule COc1ccccc1C(=O)Nc1ccc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)N4CCCCC4)c3)CC2)C(C)C)cc1 to have a higher MR value.,CC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(NC(=O)c4ccccc4OC)cc3)C(C)C)CC2)cc1C(=O)N1CCCCC1
QED,Optimize the molecule CN(CC[NH+](C)Cc1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1)C(=O)OC(C)(C)C to have a lower QED value.,C[NH+](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)Cc1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1
AtomNum,"The molecule consists of 25 carbon atoms, 3 oxygen atoms, and 7 nitrogen atoms.",N#CNC(=NCCCOc1cccc(C[NH+]2CCCCC2)c1)NCCNc1ccccc1[N+](=O)[O-]
BondNum,"There is a molecule consisting of 30 single bonds, 3 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CCCCOc1noc2c1C(=O)C1(O)C(=O)C3=C([O-])c4c(cc(F)c(C5OCO5)c4O)CC3CC1C2[NH+](C)C
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 nitro group, and 1 halo group.",O=[N+]([O-])c1cccc(C=NCC#Cc2ccccc2Br)c1
AddComponent,Add a benzene ring to the molecule c1ccc(CC2COC3CCCCCCC3[NH2+]2)cc1.,c1ccc(CC2COC3CCCCC(c4ccccc4)CC3[NH2+]2)cc1
SubComponent,Modify the molecule hydroxyl by substituting a CC(=O)NC1C(Nc2ccc(CC([NH3+])C(=O)[O-])cc2)OC(CO)C(O)C1O with a carboxyl.,CC(=O)NC1C(Nc2ccc(CC([NH3+])C(=O)[O-])cc2)OC(CC(=O)[OH])C(O)C1O
DelComponent,Remove a CC(C)[NH+]1CCC([NH+](C)CCCC(=O)N(C)C)CC1 from the molecule amide.,CC(C)C[NH+](C)C1CC[NH+](C(C)C)CC1
LogP,Modify the molecule CC(C)Oc1ccc(-c2ccc(C(F)(F)F)cc2Oc2ccc3nnc(Cl)n3n2)cn1 to decrease its LogP value.,CC(=O)C(F)(F)c1ccc(-c2ccc(OC(C)C)nc2)c(Oc2ccc3nnc(Cl)n3n2)c1
MR,Please modify the molecule CCOC(=O)CN(C)C(=O)C(C)S(C)(=O)=O to increase its MR value.,CCOC(=O)CN(C)C(=O)C(CC(=O)O)S(C)(=O)=O
QED,Optimize the molecule CCOC(=O)C1=C(COC(=O)CC(NC(C)=O)c2ccccc2)NC(=O)NC1CC to have a higher QED value.,CCOC(=O)C1=C(COC(=O)CCNC(C)=O)NC(=O)NC1CC
AtomNum,"There is a molecule with 21 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCNC(NCC(C)[NH+]1CCC(C)CC1)=[NH+]Cc1ccc(OC)c(OC)c1
BondNum,"There is a molecule consisting of 20 single bonds, 2 double bonds, 7 rotatable bonds, and 17 aromatic bonds.",CC1c2c(N)ncnc2N(CCCS(N)(=O)=O)C(Sc2cc3c(cc2-c2ccn[nH]2)OCO3)C1C
FunctionalGroup,There is a molecule composed of and 2 amide groups.,CC(CN1C(=O)c2ccccc2C1=O)P(C)(C)=O
AddComponent,Add a hydroxyl to the molecule O=c1cc(N2CCCCC2)cnn1CC(O)C(F)(F)F.,O=c1cc(N2CCCC(O)C2)cnn1CC(O)C(F)(F)F
SubComponent,Modify the molecule COc1cnn(C)c(=O)c1-c1ccc(CC(NC(=O)C(C)(C)O)C(=O)[O-])cc1 by substituting a hydroxyl with a aldehyde.,CC(=O)C(C)(C)C(=O)NC(Cc1ccc(-c2c(OC)cnn(C)c2=O)cc1)C(=O)[O-]
DelComponent,Please remove a hydroxyl from the molecule COc1cc(C(O)(CC[NH+](C)C)C(c2cc3cc(Br)ccc3nc2OC)c2cccc3c2OCCO3)cc(OC)n1.,COc1cc(C(CC[NH+](C)C)C(c2cc3cc(Br)ccc3nc2OC)c2cccc3c2OCCO3)cc(OC)n1
LogP,Optimize the molecule CCOc1ccc(C(F)(F)F)cc1CC[NH2+]C to have a lower LogP value.,CCOc1cc(O)c(C(F)(F)F)cc1CC[NH2+]C
MR,Modify the molecule CC1CCC(c2nnc(CO)n2C)O1 to have a higher MR value.,CC1CCC(c2nnc(CC(=O)[OH])n2C)O1
QED,Please optimize the molecule Cc1cc(C(=O)[O-])cc2c(CC#N)csc12 to have a lower QED value.,Cc1csc2c(C)cc(C(=O)[O-])cc12
AtomNum,"There is a molecule consisting of 14 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 1 sulfur atom.",CCc1nsc(N2CCCN(C(=O)NC3CC[NH2+]C3)CC2)n1
BondNum,"The molecule consists of 13 single bonds, 9 rotatable bonds, and 18 aromatic bonds.",COc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1F
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 amide group, 4 halo groups, 1 thioether group, and 1 sulfide group.",CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1ccc(Cl)c(Cl)c1
AddComponent,Modify the molecule CCC(C)NC(=O)CCCCCn1c(=S)[nH]c2c([nH]c3ccc(OC)cc32)c1=O by adding a hydroxyl.,CCC(C)NC(=O)CCC(O)CCn1c(=S)[nH]c2c([nH]c3ccc(OC)cc32)c1=O
SubComponent,Modify the molecule halo by substituting a CCOC(=O)C1(C(=O)[O-])CC1C(F)(F)F with a nitro.,CCOC(=O)C1(C(=O)[O-])CC1C(F)(F)NO
DelComponent,Modify the molecule COc1ccc(-n2cnc(Nc3nc(N4CCCC4CO)c4cccn4n3)c2)cc1C(F)(F)F by removing a hydroxyl.,COc1ccc(-n2cnc(Nc3nc(N4CCCC4C)c4cccn4n3)c2)cc1C(F)(F)F
LogP,Optimize the molecule Cc1cc2nc(Nc3ccccc3)nc(-c3ccccc3)c2c(=O)o1 to have a lower LogP value.,Cc1cc2nc(Nc3ccccc3O)nc(-c3ccccc3)c2c(=O)o1
MR,Optimize the molecule C[NH+](CC(=O)c1cc(Cl)ccc1Cl)CC1CCCCC1 to have a higher MR value.,CC(=O)c1ccc(Cl)c(C(=O)C[NH+](C)CC2CCCCC2)c1
QED,Optimize the molecule O=C(CNS(=O)(=O)c1cccc(Br)c1)OCc1ccccc1 to have a higher QED value.,O=C(CNS(=O)(=O)c1ccccc1)OCc1ccccc1
AtomNum,"Please generate a molecule with 14 carbon atoms, 3 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",CCn1c(C2(C(F)(F)F)CCNC2)nc2ccc(Cl)cc21
BondNum,"There is a molecule with 15 single bonds, 2 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCOc1ccc(C(=O)C=Cc2ccc(OC(F)F)c(OC)c2)cc1OCC
FunctionalGroup,"Please generate a molecule composed of 1 amine group, and 1 sulfone group.",CS(=O)(=O)CCNC1CCCCC1C1CCC[NH2+]1
AddComponent,Modify the molecule [NH3+]C1(CO)CCC(OCCCC(F)(F)F)C1 by adding a hydroxyl.,[NH3+]C1(CO)CCC(OC(O)CCC(F)(F)F)C1
SubComponent,Substitute a halo in the molecule CCCCCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)C2c2ccc(Cl)cc2)cc1OC with a carboxyl.,CCCCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)[OH])cc3)C2c2ccc(Cl)cc2)cc1OC
DelComponent,Please remove a CCC(CC)n1ccc(CNCC(F)F)n1 from the molecule amine.,CCC(CC)n1ccc(CCC(F)F)n1
LogP,Please modify the molecule CCCCNC(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 to decrease its LogP value.,CCCCNC(=O)C[NH+](C)CC(=O)Nc1ccc(S)c(C(F)(F)F)c1
MR,Modify the molecule Cc1cccc(C(NN)c2ccc(Cl)cn2)c1 to have a lower MR value.,Cc1cccc(C(N)c2ccc(Cl)cn2)c1
QED,Please optimize the molecule COCC1CCCN1c1cccc(O)c1F to have a lower QED value.,COCC1CCCN1OF
AtomNum,"There is a molecule composed of 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",C=CCOC(=O)N1CC(S)CC1CNC(=S)N1CCOCC1
BondNum,"There is a molecule with 15 single bonds, 1 double bond, 6 rotatable bonds, and 22 aromatic bonds.",Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(C(=O)CCO)C1
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,Cc1cc(C2CCN(C(=O)c3cn(C4CCC[NH2+]C4)nn3)CC2)n[nH]1
AddComponent,Add a benzene ring to the molecule COc1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccccc4C)C3)CC2)nn1.,COc1ccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(-c5ccccc5)c4C)C3)CC2)nn1
SubComponent,Please substitute a halo in the molecule Cc1cc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)oc2cc1C with a hydroxyl.,Cc1cc2nc(-c3cc(NC(=O)c4ccco4)ccc3O)oc2cc1C
DelComponent,Modify the molecule benzene ring by removing a CC(C)(C)OC(=O)NC1CCC(C(=O)N2CC=C3C(C)(CC=C(c4ccc(C(=O)[O-])cc4)C3(C)C)C2)CC1.,CC(C)(C)OC(=O)NC1CCC(C(=O)N2CC=C3C(C)(CC=C(C(=O)[O-])C3(C)C)C2)CC1
LogP,Please modify the molecule CCCC1[NH2+]CCCC1OC to increase its LogP value.,COC1CCC[NH2+]C1CCCc1ccccc1
MR,Modify the molecule O=c1c2ccccc2[nH]c(=S)n1-c1cc(Cl)c(Cl)cc1Cl to decrease its MR value.,N#Cc1cc(-n2c(=S)[nH]c3ccccc3c2=O)c(Cl)cc1Cl
QED,Modify the molecule COCc1cccc(NC(=O)C2CNc3ccccc32)c1 to have a lower QED value.,COCc1cccc(C2Nc3ccccc32)c1
AtomNum,"There is a molecule consisting of 11 carbon atoms, and 2 nitrogen atoms.",Cc1c2c(cc3cn[nH]c13)CCC2
BondNum,"The molecule has 13 single bonds, 4 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",Cn1c(=O)c2c(nc3n2C(O)C(=C[NH+](C)C)C(=O)N3Cc2ccccc2)n(C)c1=O
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 amide group, and 1 halo group.",COc1ccccc1-c1cccc(C[NH+]2CC(c3ccc(F)cc3)C3(CCCCC(=O)N3)C2)c1
AddComponent,Modify the molecule CC(=O)NC(Cc1ccccc1)C(=O)C(C)(C)C by adding a amine.,CC(=O)NC(Cc1ccccc1N)C(=O)C(C)(C)C
SubComponent,Modify the molecule C#CCCC(O)c1ccc(C2CC2C)o1 by substituting a hydroxyl with a halo.,C#CCCC(F)c1ccc(C2CC2C)o1
DelComponent,Please remove a amine from the molecule Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(NS(C)(=O)=O)c1.,Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1
LogP,Modify the molecule CCCC(Cl)CCc1c(C)cc(C)cc1C to increase its LogP value.,CCCC(Cl)C(Cc1c(C)cc(C)cc1C)c1ccccc1
MR,Optimize the molecule O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1cccc2ccccc12 to have a higher MR value.,O=C(CSc1nc(-c2ccccc2)nc2c(O)cccc12)Nc1cccc2ccccc12
QED,Modify the molecule Cc1cc(CNC(=O)c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)ncn1 to have a higher QED value.,Cc1cc(Cn2nc(N3CCC(Cc4ccccc4)CC3)cc-2)ncn1
AtomNum,"Please generate a molecule consisting 21 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CC1C=CC=CC1C[NH+]1CCSC(C(=O)Nc2ccc3n[nH]c(CO)c3c2)C1
BondNum,"There is a molecule with 15 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CC(C)(C)c1nnc(NCC(CO)C2CCOC2)s1
FunctionalGroup,"There is a molecule consisting of 1 amine group, 1 thioether group, and 1 thiol group.",Nc1cccc2c(CS)c[nH]c12
AddComponent,Add a carboxyl to the molecule Cc1c(OCC2COC(C)(C)OC2)ccnc1CCl.,CC1(C)OCC(COc2ccnc(CCl)c2CC(=O)O)CO1
SubComponent,Please substitute a halo in the molecule FC(F)(F)c1ccnc(NCc2ccncc2)c1 with a nitrile.,N#CC(F)(F)c1ccnc(NCc2ccncc2)c1
DelComponent,Please remove a halo from the molecule CC(=O)C(=Cc1ccc(F)cc1)C(=O)CC[NH+](C)C.,CC(=O)C(=Cc1ccccc1)C(=O)CC[NH+](C)C
LogP,Please optimize the molecule NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1 to have a lower LogP value.,NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2(c3ccccc3NO)CCCC2)cc1
MR,Modify the molecule COCC1CCC(Nc2ncc(C(N)=O)c(NC3CCCC3O)n2)CC1 to have a higher MR value.,COCC1CCC(Nc2ncc(C(N)=O)c(NC3(c4ccccc4)CCCC3O)n2)CC1
QED,Optimize the molecule CC1=C(I)C(C)=[N+]2C1=C(CCC(=O)[O-])c1c(C)c(I)c(C)n1[B-]2(F)F to have a higher QED value.,CC1=C(I)C(C)=[N+]2C1=C(CCC(=O)[O-])c1c(C)cc(C)n1[B-]2(F)F
AtomNum,"Please generate a molecule with 17 carbon atoms, 6 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CCC(C)C([NH3+])C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(CCSC)C(=O)[O-]
BondNum,"There is a molecule composed of 17 single bonds, 2 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",CC(C)CC(=O)N1CC[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 hydroxyl groups, 1 amide group, 1 sulfide group, and 1 borane group.",CCc1cccc(CC(NC(=O)CCn2c(=O)sc3ccccc32)B(O)O)c1
AddComponent,Modify the molecule C=CCNC(=S)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 by adding a benzene ring.,C=CCNC(=S)NN=Cc1ccc(-c2c(Cl)cc([N+](=O)[O-])cc2-c2ccccc2)o1
SubComponent,Please substitute a halo in the molecule COC(=O)c1sccc1NCc1ccccc1F with a hydroxyl.,COC(=O)c1sccc1NCc1ccccc1O
DelComponent,Remove a halo from the molecule CCC(C(C)=O)c1cc(Cl)ccc1[N+](=O)[O-].,CCC(C(C)=O)c1ccccc1[N+](=O)[O-]
LogP,Please modify the molecule N#Cc1ccc(C(=O)NCCC2CCS(=O)(=O)CC2)s1 to increase its LogP value.,O=C(NCCC1CCS(=O)(=O)CC1)c1cccs1
MR,Modify the molecule [N-]=[N+]=NCCOCCOCCNC(=O)Cc1ccc(O)c(O)c1 to increase its MR value.,CC(=O)c1ccc(CC(=O)NCCOCCOCCN=[N+]=[N-])cc1O
QED,Modify the molecule BrCCCCCCCCC[NH+]1CCCC2CCCCC21 to have a higher QED value.,OC1CCC2CCCCC2[NH+]1CCCCCCCCCBr
AtomNum,"The molecule has 11 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Nc1ccn(C2OC(CO)C(O)C23CCS3)c(=O)n1
BondNum,"The molecule contains 10 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",CCn1ncnc1CC1(CO)CCC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 3 halo groups.",Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC(C)CC(C(=O)[O-])C1
AddComponent,Add a hydroxyl to the molecule C=CCn1c(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)nnc1-c1ccncc1.,C=C(O)Cn1c(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)nnc1-c1ccncc1
SubComponent,Substitute a COc1cc(C=CC(=O)Nc2cccc(C[NH+]3CCCC3C(N)=O)c2)ccc1OC(F)F in the molecule halo with a hydroxyl.,COc1cc(C=CC(=O)Nc2cccc(C[NH+]3CCCC3C(N)=O)c2)ccc1OC(O)F
DelComponent,Please remove a halo from the molecule COc1ccc2c(c1)OC(=O)OC2(CI)c1ccccc1.,COc1ccc2c(c1)OC(=O)OC2(C)c1ccccc1
LogP,Optimize the molecule CCOC(=O)C1(c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3cc(C)ccc3OC)cc2)CC1 to have a higher LogP value.,CCOC(=O)C1(c2ccc(N(c3ccc(Cl)cc3)S(=O)(=O)c3cc(C)ccc3OC)cc2)CC1
MR,Modify the molecule O=C([O-])Cc1sc(C2CCCCC2)nc1Cl to have a lower MR value.,O=C([O-])Cc1sc(C2CCCCC2)nc1O
QED,Please modify the molecule CC(=O)NCCc1coc2ccc(Br)cc12 to decrease its QED value.,CC(=O)NCCc1coc2ccc(Br)c(O)c12
AtomNum,"There is a molecule composed of 12 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 3 chlorine atoms, and 2 bromine atoms.",O=C(c1ccc(Cl)cc1)C(Br)(Br)n1ncc(Cl)c(Cl)c1=O
BondNum,"There is a molecule with 14 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC1C[NH+](CCC([NH3+])c2ccccc2Cl)CCC1O
FunctionalGroup,"There is a molecule consisting of 2 amine groups, and 1 nitrile group.",CC(Nc1ncc(C#N)cc1N)C1CCCCC1
AddComponent,Modify the molecule CCc1ccc(C2SCC(=O)N2Cc2ccccn2)cc1 by adding a benzene ring.,CC(c1ccccc1)c1ccc(C2SCC(=O)N2Cc2ccccn2)cc1
SubComponent,Substitute a hydroxyl in the molecule COc1ccc(C(=O)N(C)c2cc(Cl)ccc2N)cc1O with a nitrile.,COc1ccc(C(=O)N(C)c2cc(Cl)ccc2N)cc1C#N
DelComponent,Remove a benzene ring from the molecule CC(=O)C(=Cc1ccccc1)Oc1ccccc1OCC[NH+]1CCCC1.,C=C(Oc1ccccc1OCC[NH+]1CCCC1)C(C)=O
LogP,Modify the molecule CCn1cc(C(=O)[O-])c(=O)c2cc(Cl)c(N3CC[NH2+]CC3)nc21 to have a lower LogP value.,CCn1cc(C(=O)[O-])c(=O)c2cc(Cl)c(N3CC[NH2+]CC3C(=O)O)nc21
MR,Please optimize the molecule Cc1oc(CNC(=O)NCc2cc(Br)cs2)cc1C(=O)[O-] to have a higher MR value.,CC(=O)c1csc(CNC(=O)NCc2cc(C(=O)[O-])c(C)o2)c1
QED,Modify the molecule COC(CCc1ccc(F)cc1)(OC)OC to have a lower QED value.,COC(CCc1ccc(S)cc1)(OC)OC
AtomNum,"The molecule consists of 30 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1cc(C=C2N=C(c3ccc(NC(=O)Cc4ccccc4)cc3)OC2=O)ccc1OC(=O)c1cccs1
BondNum,"The molecule contains 11 single bonds, 3 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1
FunctionalGroup,"The molecule has 2 benzene ring groups, and 2 amide groups.",COc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2C)cc1OC
AddComponent,Add a carboxyl to the molecule O=C(NC(c1ccccc1)C(F)(F)F)C1=C2C=CC=CN2C(CN2CCC(O)C2)[NH2+]1.,O=C(NC(c1ccccc1)C(F)(F)F)C1=C2C=CC=CN2C(CN2CC(O)C(C(=O)O)C2)[NH2+]1
SubComponent,Please substitute a halo in the molecule Fc1ccc(NCC[NH+]2CCCC2)nc1 with a thiol.,Sc1ccc(NCC[NH+]2CCCC2)nc1
DelComponent,Please remove a halo from the molecule Cc1cc(NC(C)Cc2cccs2)c(Br)cc1N.,Cc1cc(NC(C)Cc2cccs2)ccc1N
LogP,Modify the molecule CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cnn2-c2ccc(Cl)cc2)CC1 to decrease its LogP value.,CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4cccc(C(=O)[OH])c4)CC3)cnn2-c2ccc(Cl)cc2)CC1
MR,Modify the molecule Cn1c(=O)c(Cc2ccc(F)c(F)c2)cc2cc(C(=O)[O-])sc21 to increase its MR value.,Cn1c(=O)c(Cc2ccc(F)c(F)c2)cc2c(-c3ccccc3)c(C(=O)[O-])sc21
QED,Optimize the molecule c1ccc(-c2ccnc(NCc3ccc4c(c3)OCO4)n2)nc1 to have a lower QED value.,c1ccc(-c2ccnc(Cc3ccc4c(c3)OCO4)n2)nc1
AtomNum,"The molecule has 11 carbon atoms, and 3 nitrogen atoms.",CCC(C)(C)C([NH2+]C)c1ccn(C)n1
BondNum,"The molecule contains 10 single bonds, 3 double bonds, 6 rotatable bonds, and 21 aromatic bonds.",CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)Cn1cnc2sccc2c1=O
FunctionalGroup,Please generate a molecule with and 1 amide group.,COCC(C)NC(=O)Cn1cnc(C[NH3+])n1
AddComponent,Modify the molecule CC1CC[NH+](Cc2ccccc2CNC(=O)CC2CC3CCC(C2)[NH2+]3)CC1 by adding a hydroxyl.,CC1CC[NH+](Cc2ccccc2CNC(=O)CC2CC3CCC(O)(C2)[NH2+]3)CC1
SubComponent,Substitute a Cc1ccc(Cl)c(OCC[NH2+]Cc2ccccn2)c1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(C)cc1OCC[NH2+]Cc1ccccn1
DelComponent,Modify the molecule halo by removing a CC(C)(C)OC(=O)C1(C(CC(=O)N2CCCC2C(=O)[O-])C(F)(F)F)CSCCS1.,CC(C)(C)OC(=O)C1(C(CC(=O)N2CCCC2C(=O)[O-])C(F)F)CSCCS1
LogP,Modify the molecule CC(=O)C(Br)c1ccc(I)cc1I to decrease its LogP value.,CC(=O)C(C(=O)[OH])c1ccc(I)cc1I
MR,Optimize the molecule COc1cc(N2CC[NH+](CC3CC3)CC2)c(C2CC(C)(C)CC(C)(C)C2)cc1N1CCCCC1 to have a higher MR value.,CC1(C)CC(c2cc(N3CCCCC3)c(OCO)cc2N2CC[NH+](CC3CC3)CC2)CC(C)(C)C1
QED,Please modify the molecule Cn1ccnc1CC(=O)CN1CCC[NH2+]CC1 to decrease its QED value.,Cn1ccnc1CC(=O)CN1CCC[NH2+]C(N)C1
AtomNum,"The molecule is composed of 19 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",Cc1csc(=O)n1CCC(=O)N1CCCC(c2nc3ccccc3s2)C1
BondNum,"The molecule contains 18 single bonds, 2 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(N2CCCC2)c(C(=O)NCc2ccccc2)c1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, and 1 ester group.",COC(=O)CCCc1cccc2c1OC1CC(N=O)C(CO)C21
AddComponent,Add a benzene ring to the molecule COc1ccccc1C1(CNC(=O)c2cnn(-c3ccccc3)c2)CCCC1.,COc1ccccc1C1(CNC(=O)c2cnn(-c3cccc(-c4ccccc4)c3)c2)CCCC1
SubComponent,Please substitute a halo in the molecule O=C(Nc1cnn(Cc2ccccc2F)c1)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1 with a hydroxyl.,O=C(Nc1cnn(Cc2ccccc2O)c1)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
DelComponent,Please remove a CCCNC(=O)C(C)Nc1cnc(C(N)=S)cn1 from the molecule amine.,CCCNC(=O)C(C)Nc1cnc(C=S)cn1
LogP,Optimize the molecule O=c1[nH]c2c(F)cccc2c(=O)n1C1CC[NH2+]CC1 to have a lower LogP value.,O=c1[nH]c2ccccc2c(=O)n1C1CC[NH2+]CC1
MR,Optimize the molecule CN(Cc1ccc(F)cc1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 to have a lower MR value.,CN(Cc1ccc(F)cc1)C(=O)c1c-c(O[O-])(S(C)(=O)=O)cc1
QED,Optimize the molecule CCOC(=O)C1CCN(S(=O)(=O)NC2CC[NH+](Cc3ccc4c(c3)Nc3nccnc3S4)CC2)CC1 to have a lower QED value.,CCOC(=O)C1CCN(S(=O)(=O)NC2CC[NH+](Cc3ccc4c(c3)Nc3ncc(-c5ccccc5)nc3S4)CC2)CC1
AtomNum,"There is a molecule composed of 32 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",c1cc(N2CC[NH2+]CC2)ccc1-c1ccc2sc3ccc(-c4ccc(N5CC[NH2+]CC5)cc4)cc3c2c1
BondNum,"The molecule consists of 21 single bonds, 1 double bond, 9 rotatable bonds, and 11 aromatic bonds.",CC[NH+](CC)CCOc1ccc(CNC(=[NH+]C)N2CCC(C)C(n3ccnc3)C2)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amine group, and 1 sulfide group.",Nc1ccc(-c2cccs2)cc1NC(=O)N1CCOCC1
AddComponent,Modify the molecule Cc1ccc(-c2cc3[nH]c2C=C2N=C(C=c4cc(-c5ccc(I)cc5)c([nH]4)=CC4=NC3(C)CC4(C)C)CC2(C)C)cc1 by adding a benzene ring.,CC1(C)CC2=NC1=Cc1[nH]c(cc1-c1ccc(Cc3ccccc3)cc1)C1(C)CC(C)(C)C(=N1)C=c1[nH]c(cc1-c1ccc(I)cc1)=C2
SubComponent,Substitute a O=C(c1ccccc1Cl)N1CCCC(c2nnc(-c3ccsc3)o2)C1 in the molecule halo with a thiol.,O=C(c1ccccc1S)N1CCCC(c2nnc(-c3ccsc3)o2)C1
DelComponent,Modify the molecule Cc1nc2cc[nH]n2c(=O)c1CC(=O)Nc1ccccc1N(C)Cc1ccccc1 by removing a amide.,Cc1nc2cc[nH]n2c(=O)c1-c1ccccc1N(C)Cc1ccccc1
LogP,Modify the molecule CCC(O)(CC)CNC(=O)CC1CCCCC1 to increase its LogP value.,CCC(CC)CNC(=O)CC1CCCCC1
MR,Optimize the molecule O=CCCCCCc1cc[nH]c1CCC(=O)[O-] to have a lower MR value.,CCCCc1cc[nH]c1CCC(=O)[O-]
QED,Modify the molecule O=C(c1cc(Br)c(Cl)s1)C1C2CC3CC(C2)CC1C3 to have a higher QED value.,CC(=O)c1cc(C(=O)C2C3CC4CC(C3)CC2C4)sc1Cl
AtomNum,"There is a molecule consisting of 23 carbon atoms, 3 oxygen atoms, and 6 nitrogen atoms.",O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1
BondNum,"Please generate a molecule consisting 11 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",O=C(c1cc(F)cc2[nH]cnc12)N1CCOC(c2ccc(Br)cc2)C1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 3 halo groups, and 1 sulfone group.",CCCCCCCCCC(=O)N(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)Cc1ccco1
AddComponent,Please add a benzene ring to the molecule O=c1cc(CSc2ccc(Cl)cc2)[nH]c(N2CCN(c3ccccn3)CC2)n1.,O=c1cc(CSc2ccc(Cl)c(-c3ccccc3)c2)[nH]c(N2CCN(c3ccccn3)CC2)n1
SubComponent,Substitute a hydroxyl in the molecule CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)C2c2cc(OC)c(OC)cc2OC)cc1OC with a nitrile.,CCOc1ccc(C2=C(C#N)C(=O)N(c3ccc(C(=O)OC)cc3)C2c2cc(OC)c(OC)cc2OC)cc1OC
DelComponent,Please remove a CC(=O)OCC#Cc1c(C#Cc2ccccc2)[se]c(C#Cc2ccccc2)c1C#CCOC(C)=O from the molecule benzene ring.,C#Cc1[se]c(C#Cc2ccccc2)c(C#CCOC(C)=O)c1C#CCOC(C)=O
LogP,Modify the molecule CN(C)NS(=O)(=O)c1cc(Br)ccc1N to decrease its LogP value.,CN(C)NS(=O)(=O)c1cc(C(=O)[OH])ccc1N
MR,Modify the molecule COc1cccc(CNC(=O)c2cc3c(=O)n(CCS(=O)(=O)c4cccc(C(F)(F)F)c4)c(=O)n(C)c3s2)c1 to increase its MR value.,COc1cccc(CNC(=O)c2cc3c(=O)n(C(S)CS(=O)(=O)c4cccc(C(F)(F)F)c4)c(=O)n(C)c3s2)c1
QED,Please modify the molecule CCNC(=[NH+]CC(O)c1ccc(Cl)cc1)N1CCC(CN(CC)CC(F)(F)F)C1 to decrease its QED value.,CCNC(=[NH+]CC(O)c1ccc(C#N)cc1)N1CCC(CN(CC)CC(F)(F)F)C1
AtomNum,"The molecule is composed of 18 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 2 sulfur atoms.",CCCCSc1nnc2c3c4c(sc3nc(CC)n12)COC(C)(C)C4
BondNum,"The molecule has 12 single bonds, 2 double bonds, 1 triple bond, 8 rotatable bonds, and 6 aromatic bonds.",COCCN(CCC#N)c1c(F)cccc1C=CC(=O)[O-]
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, 1 amine group, and 1 sulfide group.",COc1ccc(Nc2nc(C(=O)NCC(=O)N3CCOCC3)cs2)cc1
AddComponent,Modify the molecule C=CCn1c(CC(=O)Nc2ccc(OC)cc2)nnc1SCC(=O)Nc1nccs1 by adding a carboxyl.,C=CCn1c(CC(=O)Nc2ccc(OC)cc2C(=O)O)nnc1SCC(=O)Nc1nccs1
SubComponent,Please substitute a carboxyl in the molecule CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccc4ccccc4c3)CSC12)c1coc(N)n1 with a hydroxyl.,CON=C(C(=O)NC1C(=O)N2C(O)=C(C[n+]3ccc4ccccc4c3)CSC12)c1coc(N)n1
DelComponent,Modify the molecule benzene ring by removing a O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1C=COC(CC2=CC=CCC2)=C1.,O=C(Nc1ccc(OC(F)(F)F)cc1)NN1C=COC(CC2=CC=CCC2)=C1
LogP,Please modify the molecule O=C(NC(NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)N1CCOCC1 to decrease its LogP value.,O=C(NC(NC(=S)c1ccc(I)cc1)C(Cl)(Cl)Cl)N1CCOCC1
MR,Modify the molecule N#CCc1ccc(S(=O)(=O)Nc2ccc(N)c(Br)c2)cc1 to decrease its MR value.,N#CCc1ccc(S(=O)(=O)Nc2ccc(N)cc2)cc1
QED,Optimize the molecule CCOC(=O)c1c(NC(=O)C(C)Sc2cccc(NC(=O)COc3ccccc3)c2)sc2c1CCN(C(C)=O)C2 to have a higher QED value.,CCOC(=O)c1c([SH](C)c2cccc(NC(=O)COc3ccccc3)c2)sc2c1CCN(C(C)=O)C2
AtomNum,"The molecule has 11 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",NNc1cc(Oc2ccc(F)cc2[N+](=O)[O-])ccn1
BondNum,"The molecule contains 12 single bonds, 1 double bond, 4 rotatable bonds, and 17 aromatic bonds.",Cn1ccnc1-c1cnc(CC2CCN(C(=O)c3ccccn3)CC2)cn1
FunctionalGroup,"There is a molecule with 1 hydroxyl group, and 1 amide group.",Cc1cc(CC2CN(C(=O)c3ccc(C)nc3C)CC2O)on1
AddComponent,Modify the molecule Cc1sc(SCSC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4ccccc4)C3SC2)nc1C(N)=O by adding a amine.,Cc1sc(SCSC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4ccccc4)C3SC2N)nc1C(N)=O
SubComponent,Substitute a halo in the molecule CCOCOc1ccc(Br)cc1C(C)[NH2+]C with a nitro.,CCOCOc1ccc(NO)cc1C(C)[NH2+]C
DelComponent,Remove a halo from the molecule COc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)c(Oc2cccc(Cl)c2)c1.,COc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)c(Oc2ccccc2)c1
LogP,Please optimize the molecule CCCC(C[NH3+])Nc1nccc2cc(OC)ccc12 to have a higher LogP value.,CCCC(C[NH3+])c1nccc2cc(OC)ccc12
MR,Optimize the molecule CCCC([NH3+])CCCc1c(C)nn(C)c1Cl to have a lower MR value.,CCCC([NH3+])CCCc1cn(C)nc1C
QED,Please modify the molecule CCc1nn(C)cc1CNCCC(F)(F)F to decrease its QED value.,CCc1nn(C)cc1CNCCC(F)(F)NO
AtomNum,"There is a molecule composed of 23 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CON(C(=S)NC(=O)Cc1ccccc1)c1ccc(Oc2ccnc3ccsc23)cc1
BondNum,"The molecule is composed of 23 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Nc1ccc(SC(F)F)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 3 halo groups.",O=C(Nc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccccn2)CC1)c1ccc(-c2ccc3[nH]ccc3c2)o1
AddComponent,Please add a benzene ring to the molecule O=C(NCC(=O)N1CCN(c2ccc(N3CC(Cn4ccnn4)OC3=O)cc2F)CC1)c1ccco1.,O=C(NC(C(=O)N1CCN(c2ccc(N3CC(Cn4ccnn4)OC3=O)cc2F)CC1)c1ccccc1)c1ccco1
SubComponent,Modify the molecule halo by substituting a CC(C)CN(CC(F)(F)F)C(=O)c1n[nH]c(C(C)C)n1 with a carboxyl.,CC(C)CN(CC(F)(F)C(=O)[OH])C(=O)c1n[nH]c(C(C)C)n1
DelComponent,Remove a amine from the molecule CCCOc1cccc(NC2CCSC2)c1N.,CCCOc1cccc(C2CCSC2)c1N
LogP,Optimize the molecule CC(C)(C)[Si](OC1CC2OC(=O)CC2C1C=CC1(COc2cccc(Cl)c2)OCCO1)(c1ccccc1)c1ccccc1 to have a lower LogP value.,CC(C)(C)[Si](OC1CC2OC(=O)CC2C1C=CC1(COc2cccc(Cl)c2C(=O)O)OCCO1)(c1ccccc1)c1ccccc1
MR,Optimize the molecule Nc1nc(OCC2CCOC2)c2ccccc2n1 to have a higher MR value.,Nc1nc(OCC2CCOC2)c2ccc(-c3ccccc3)cc2n1
QED,Modify the molecule CC1CC[NH2+]CC1c1ccccc1C1CCC1 to have a lower QED value.,CC1CC[NH2+]CC1C1CCC1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COC(=O)CC(NC(=O)C=Cc1ccc2c(c1)CCO2)c1cccs1
BondNum,"There is a molecule with 13 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1cccc(NC(=O)C2(C(N)=[NH+]O)CCCC2)c1
FunctionalGroup,The molecule has and 5 benzene ring groups.,c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-n4c5ccc(-c6cc7ccccc7c7ccccc67)cc5c5cc(-c6cc7ccccc7c7ccccc67)ccc54)c3)cc2)cc1
AddComponent,Add a aldehyde to the molecule COc1ccc(CNc2ccccc2O)cc1OC1CCCC1.,COc1ccc(CNc2ccc(CC=O)cc2O)cc1OC1CCCC1
SubComponent,Please substitute a halo in the molecule COCCCc1cc(CN(C(=O)C2C[NH2+]CCC2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC(C)(C)C(=O)[O-])c1 with a carboxyl.,COCCCc1cc(CN(C(=O)C2C[NH2+]CCC2c2ccc(OCCOc3c(Cl)cc(C)cc3C(=O)[OH])cc2)C2CC2)cc(OCC(C)(C)C(=O)[O-])c1
DelComponent,Please remove a halo from the molecule CC(=O)NCCC1(C(=O)NC(Cc2ccc(N3C(=O)C(C)N(C(=O)COc4ccccc4)C3c3ccc(Cl)cc3)cc2)C(C)=O)CCCC1.,CC(=O)NCCC1(C(=O)NC(Cc2ccc(N3C(=O)C(C)N(C(=O)COc4ccccc4)C3c3ccccc3)cc2)C(C)=O)CCCC1
LogP,Modify the molecule [NH3+]C(CCC(=O)NC(CSC(c1ccccc1)[N+](=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-] to decrease its LogP value.,[NH3+]C(O)(CCC(=O)NC(CSC(c1ccccc1)[N+](=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]
MR,Please optimize the molecule CC(=O)OC1CC(F)=COC1C to have a lower MR value.,CC(=O)OC1CC=COC1C
QED,Modify the molecule CCC1(C(=O)[O-])CCCN(C(=O)NCc2sccc2C)C1 to have a lower QED value.,CCC1(C(=O)[O-])CN(C(=O)NCc2sccc2C)CCC1c1ccccc1
AtomNum,"The molecule consists of 16 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CC1CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2OC1CN(C)S(C)(=O)=O
BondNum,"There is a molecule consisting of 12 single bonds, 2 double bonds, 7 rotatable bonds, and 22 aromatic bonds.",COc1cc2c(=O)oc3cc(OC(=O)COc4cccc(Br)c4)ccc3c2c(OC)c1OC
FunctionalGroup,There is a molecule with and 2 benzene ring groups.,COc1ccc(C(C)[NH2+]Cc2ccc(OC)c(-c3cccnc3)c2)cc1
AddComponent,Please add a hydroxyl to the molecule O=C(NCC1(O)C=CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1.,O=C(NCC1(O)C=CCCC1)C(=O)Nc1ccc(OC(F)(F)F)c(O)c1
SubComponent,Substitute a O=c1c2cc3c(=O)n(OS(=O)(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c(=O)c3cc2c(=O)n1OS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 in the molecule halo with a aldehyde.,CC(=O)C(F)(F)c1cc(C(F)(F)F)cc(S(=O)(=O)On2c(=O)c3cc4c(=O)n(OS(=O)(=O)c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c4cc3c2=O)c1
DelComponent,Remove a CC(Nc1c(Br)cccc1Br)c1cccs1 from the molecule halo.,CC(Nc1ccccc1Br)c1cccs1
LogP,Modify the molecule C=CCCCC([NH2+]CCC)c1ccc(F)c(OC)c1 to have a lower LogP value.,C=CCCCC(F)([NH2+]CCC)OC
MR,Please modify the molecule CC(=O)OCC#Cc1c(Br)c(Br)c(Br)c(Br)c1Br to increase its MR value.,CC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C#CCOC(C)=O
QED,Modify the molecule O=S(=O)(NCC1CCCN1c1nc2ccccc2o1)c1ccc(-c2ccc(F)cc2)cc1 to decrease its QED value.,O=S(=O)(NC(O)C1CCCN1c1nc2ccccc2o1)c1ccc(-c2ccc(F)cc2)cc1
AtomNum,"The molecule is composed of 15 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",c1cc(C2CC2)c2c(c1)C(C1=[NH+]CCN1)OCC2
BondNum,"Please generate a molecule consisting 18 single bonds, 2 double bonds, 8 rotatable bonds, and 23 aromatic bonds.",C=CC(=O)Nc1cc(Nc2ncc3cccc(-c4cncc(F)c4)c3n2)c(OC)cc1N(C)C1CC[NH+](C)C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amide group, 2 halo groups, 1 thioether group, and 1 sulfide group.",O=C(CCOc1ccc(F)cc1)N1CCSc2ccc(Cl)cc21
AddComponent,Please add a benzene ring to the molecule CCOc1cc2c(cc1OCC)CN(C(=O)C(CC)(CC)C[NH3+])CC2.,CCOc1cc2c(cc1OC(C)c1ccccc1)CCN(C(=O)C(CC)(CC)C[NH3+])C2
SubComponent,Please substitute a halo in the molecule CS(=O)CCCn1c(=S)[nH]c2cc(F)c(Br)cc21 with a aldehyde.,CC(=O)c1cc2[nH]c(=S)n(CCCS(C)=O)c2cc1Br
DelComponent,Modify the molecule amide by removing a CC(=O)Nc1nc(C(=O)NC(CCO)C2CCCCC2)cs1.,O=C(NC(CCO)C1CCCCC1)c1cscn1
LogP,Modify the molecule CC1(C(=O)N2CCC3(CC2)CC(C(=O)N2CCCC2)c2ccccc23)CC=CCC1 to increase its LogP value.,CC1(C(=O)N2CCC3(CC2)c2ccccc2C2CCCC23)CC=CCC1
MR,Optimize the molecule Cc1cc2cc(S(=O)(=O)[O-])cc(Nc3nc(Nc4ccc(Nc5nc(Nc6cc(S(=O)(=O)[O-])cc7cc(C)c(N=Nc8cc(C(=O)[O-])cc(C(=O)[O-])c8)c(O)c67)nc(N6CCOCC6)n5)cc4)nc(N4CCOCC4)n3)c2c(O)c1N=Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 to have a lower MR value.,Cc1cc2cc(S(=O)(=O)[O-])cc(Nc3nc(Nc4ccc(Nc5nc(Nc6cc(S(=O)(=O)[O-])cc7cc(C)c(N=Nc8cc(C(=O)[O-])cc(C(=O)[O-])c8)c(O)c67)nc(N6CCOCC6)n5)cc4)nc(N4CCOCC4)n3)c2cc1N=Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1
QED,Modify the molecule CNc1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)o2)nc1C#N to have a lower QED value.,CNc1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccc(C(=O)O)cc3)o2)nc1C#N
AtomNum,"The molecule consists of 21 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",CC(C)OC(=O)c1cccnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1
BondNum,"Please generate a molecule consisting 18 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CC(O)C1CC[NH+](C(C)C(=O)N2c3ccccc3CCC2C)C1
FunctionalGroup,"Please generate a molecule with 3 benzene ring groups, 1 hydroxyl group, and 2 amine groups.",CCc1cc(Cc2cc(CC)c(N)c(CC)c2)ccc1NCc1ccc(O)cc1
AddComponent,Add a amine to the molecule CN1CC[NH2+]CC1CC[NH2+]Cc1cc[nH]c1.,CN1CC[NH2+]CC1CC[NH2+]Cc1cc[nH]c1N
SubComponent,Substitute a hydroxyl in the molecule COCC[NH2+]CC(O)c1ccc2cc(OC)ccc2c1 with a carboxyl.,COCC[NH2+]CC(C(=O)[OH])c1ccc2cc(OC)ccc2c1
DelComponent,Please remove a amide from the molecule O=C(c1cccc(Br)c1Cl)N1CCCO1.,Clc1(C2CCO2)c(Br)ccc-1
LogP,Please optimize the molecule CC[NH2+]C(CN(CC(C)C)C1CC1)(C(=O)OC)C1CC1 to have a lower LogP value.,CC[NH2+]C(CN(CC(C)C)C1CC1)(C(=O)OC)C1(C#N)CC1
MR,Please modify the molecule Cc1c(Cl)cccc1NC(=O)Cc1ccc(O)c(O)c1 to increase its MR value.,Cc1c(NC(=O)Cc2ccc(O)c(O)c2)ccc(N)c1Cl
QED,Modify the molecule C[NH+](Cc1cccnc1)CC1CNc2ccccc2O1 to increase its QED value.,C[NH+](Cc1cccnc1)CC1Cc2ccccc2O1
AtomNum,"The molecule has 23 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",Cc1ccccc1C(=O)Oc1cccc(C=C(C#N)c2ccc(Cl)cc2)c1
BondNum,"There is a molecule consisting of 22 single bonds, 2 double bonds, 8 rotatable bonds, and 23 aromatic bonds.",COc1ccc(C(C)C)c(N2CCSC2=[NH+]C(=O)NCc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, and 4 halo groups.",Cc1cc(C)c(C(N)C(F)(F)F)c(F)c1
AddComponent,Please add a benzene ring to the molecule NC(=O)C1CCCN(c2ccc(CNC(=O)CC3C=CCC3)cc2)C1.,NC(=O)C1CC(c2ccccc2)CN(c2ccc(CNC(=O)CC3C=CCC3)cc2)C1
SubComponent,Modify the molecule halo by substituting a CC(=O)Oc1c(Cl)c(OC(C)=O)c2c(=O)c3cccc(CBr)c3oc2c1Cl with a carboxyl.,CC(=O)Oc1c(C(=O)[OH])c(OC(C)=O)c2c(=O)c3cccc(CBr)c3oc2c1Cl
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc2c(c1)C1=NC2=Nc2c3cc(C)ccc3c3n2B(Oc2ccc(C(C)(C)C)cc2)n2c(c4cc(C)ccc4c2=N3)=N1.,Cc1ccc2c(c1)C1=NC2=Nc2c3cc(C)ccc3c3n2B(OC(C)(C)C)n2c(c4cc(C)ccc4c2=N3)=N1
LogP,Please modify the molecule CCCCOC(=O)c1ccc(N(CC)Cc2cc(Br)ccc2O)nc1 to increase its LogP value.,CCCCOC(=O)c1ccc(N(CC)Cc2cc(Br)ccc2O)nc1-c1ccccc1
MR,Optimize the molecule Cc1c(C(=O)OC(C(=O)N(C)C)c2ccccc2)cnn1C to have a lower MR value.,Cc1c(C(=O)OCC(=O)N(C)C)cnn1C
QED,Please optimize the molecule COc1ccc(C=CC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 to have a lower QED value.,COc1ccc(C=C(C(=O)NCCn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1
AtomNum,"Please generate a molecule with 25 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1ccc(C2=C(Nc3cc(C)ccc3C)C(=O)N(CC[NH+]3CCOCC3)C2=O)cc1
BondNum,"There is a molecule with 7 single bonds, 3 double bonds, 1 rotatable bond, and 6 aromatic bonds.",CC([NH3+])C1=CS(=O)(=O)c2c(Br)cccc21
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, and 1 ketone group.",CCCC[NH+](C)CCC(=O)c1ccc(O)cc1
AddComponent,Please add a carboxyl to the molecule CCC(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(C)c1.,CCC(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(C)c1C(=O)O
SubComponent,Substitute a halo in the molecule COc1ccc2c(Oc3ccc(C=C(C)C(=O)[O-])cc3)c(Br)sc2c1 with a hydroxyl.,COc1ccc2c(Oc3ccc(C=C(C)C(=O)[O-])cc3)c(O)sc2c1
DelComponent,Remove a hydroxyl from the molecule CN(C)c1cc[nH+]c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1.,CN(C)c1cc[nH+]c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
LogP,Modify the molecule C=NC(=[NH+]C(N)=CC)C1CC1 to have a higher LogP value.,C=NC(=[NH+]C=CC)C1CC1
MR,Please optimize the molecule Cc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cccc(C[NH+]2CCOCC2)c1 to have a higher MR value.,Cc1cc2c(cc1O)C(NC(=O)c1cccc(C[NH+]3CCOCC3)c1)CC(C)(C)O2
QED,Optimize the molecule O=C(CCn1ccccc1=O)Oc1ccc(C2CCCCC2)cc1 to have a higher QED value.,O=C(CCn1ccccc1=O)OC1CCCCC1
AtomNum,"Please generate a molecule with 25 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",C=C(CC(=O)NCc1ccccc1)NNC(=O)Cc1ccc(-c2ccccc2)cc1
BondNum,"There is a molecule composed of 29 single bonds, 2 double bonds, and 14 rotatable bonds.",CCCCCC(CC)N1C(=O)C2CCC(CCCC(C)CCCC(C)C)CC2C1=O
FunctionalGroup,"There is a molecule composed of 2 amide groups, 2 halo groups, and 1 sulfide group.",C[NH+](C)CCN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2c(Cl)cncc2Cl)C(C)(C)C1=O
AddComponent,Add a carboxyl to the molecule CCCCCCCCC(=O)NCC1CCCCC1Br.,CCC(CCCCCC(=O)NCC1CCCCC1Br)C(=O)O
SubComponent,Substitute a halo in the molecule Cc1cccc(-c2nc(Cl)c3cc(I)ccc3n2)c1C with a thiol.,Cc1cccc(-c2nc(S)c3cc(I)ccc3n2)c1C
DelComponent,Please remove a benzene ring from the molecule Cc1cnccc1-n1nc(-c2ccccc2)nc1C1CCOC1.,Cc1cnccc1-n1ncnc1C1CCOC1
LogP,Please optimize the molecule CC(C)(O)CCS(=O)(=O)N1CCC(c2ccc3nc(OC4CCN(c5ncc(Cl)cn5)CC4)sc3c2)CC1 to have a lower LogP value.,CC(C)(O)C(CC=O)CS(=O)(=O)N1CCC(c2ccc3nc(OC4CCN(c5ncc(Cl)cn5)CC4)sc3c2)CC1
MR,Please optimize the molecule Cc1ccc(OC(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3)c(Br)c1 to have a lower MR value.,Cc1ccc(OC(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C#N)c1
QED,Please modify the molecule Cc1nc2ccccc2c(C(=O)OC(C)C(=O)c2ccc(Cl)cc2)c1C to increase its QED value.,Cc1nc2ccccc2c(C(=O)OC(C)C(=O)c2ccccc2)c1C
AtomNum,"The molecule is composed of 39 carbon atoms, 6 oxygen atoms, and 3 nitrogen atoms.",COc1cc2c(cc1OC)C(C)(C)C(C=CC(=O)NCCC[NH+](C)CCCNC(=O)C=CC1Cc3cc(OC)c(OC)cc3C1(C)C)=C2
BondNum,"The molecule has 21 single bonds, 4 double bonds, and 5 rotatable bonds.",CCNC(=O)N1CCC(NC(=O)C(C(C)C)N2CCCS2(=O)=O)C1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 halo group.",O=C(NCCc1cccc(Cl)c1)Oc1ccc2c(c1)CCC2
AddComponent,Modify the molecule Cn1cncc1C(Cc1ccc(I)cc1)NN by adding a hydroxyl.,Cn1cnc(O)c1C(Cc1ccc(I)cc1)NN
SubComponent,Please substitute a halo in the molecule C[NH2+]CC(N)c1ccc(C(F)(F)F)c(F)c1 with a nitro.,C[NH2+]CC(N)c1ccc(C(F)(F)NO)c(F)c1
DelComponent,Remove a amide from the molecule CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C(=O)OC)cc3)c3ccccc32)SC1=S.,CCC1C(=S)[SH]1C1C(=O)N(CC(=O)Nc2ccc(C(=O)OC)cc2)c2ccccc21
LogP,Please optimize the molecule Cc1cc(C)c(CCCC(Cl)c2ccccc2)c(C)c1 to have a lower LogP value.,Cc1cc(C)c(CCCCc2ccccc2)c(C)c1
MR,Please optimize the molecule COc1ccc(Br)c(CCC2CCCCC2=O)c1 to have a lower MR value.,COc1ccc(NO)c(CCC2CCCCC2=O)c1
QED,Optimize the molecule CCCCCCCCCCC#CCOCc1ccc(C(=O)[O-])cc1 to have a lower QED value.,CCCCCCCCCCC#CCOCC(=O)[O-]
AtomNum,"There is a molecule composed of 8 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, and 4 fluorine atoms.",O=C(NCC1CCSC1)C(F)(F)C(F)F
BondNum,"The molecule has 12 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CN(CCN1CCNC1=O)c1cc(Cl)ccc1N
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, 3 amine groups, and 1 sulfide group.",CCNC(NCc1ccc(C)s1)=[NH+]Cc1cc(C)c(O)c(C)c1
AddComponent,Modify the molecule CCC[NH+]1CCC(CNc2ncnc(N)c2Cl)C1 by adding a benzene ring.,CCC[NH+]1CCC(CNc2nc(-c3ccccc3)nc(N)c2Cl)C1
SubComponent,Modify the molecule halo by substituting a CC([NH3+])c1ccc(-n2nccc2Br)cc1 with a thiol.,CC([NH3+])c1ccc(-n2nccc2S)cc1
DelComponent,Please remove a halo from the molecule CC(=O)Oc1ccccc1C(=O)OC(C)Cl.,CCOC(=O)c1ccccc1OC(C)=O
LogP,Please modify the molecule CC1CC[NH+](CCNc2snc(N)c2C2CC2)CC1 to increase its LogP value.,CC1CC[NH+](CCNc2sncc2C2CC2)CC1
MR,Modify the molecule CC(C)=CCCC(C)C1CCC(C)=CCC=C(CO)C1CO to decrease its MR value.,CC(C)=CCCC(C)C1CCC(C)=CCC=C(C)C1CO
QED,Please modify the molecule O=C1CCCC(C(=O)NCC(c2c(F)cccc2Cl)[NH+]2CCCC2)N1 to decrease its QED value.,CC(=O)c1cccc(Cl)c1C(CNC(=O)C1CCCC(=O)N1)[NH+]1CCCC1
AtomNum,"Please generate a molecule with 18 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CN(CCCCc1ccccc1)c1ncnc2c1cnn2CCO
BondNum,"The molecule has 13 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",COC(=O)c1nccc(NC(C)C2CCCCC2)n1
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,O=C(Cc1nc(=O)[nH][nH]1)N1CCCCC1CCc1ccccn1
AddComponent,Add a hydroxyl to the molecule CCC1(CNc2nccc(-c3c(-c4ccc(F)cc4F)nc4c(C)nccn34)n2)CC1.,CCC1(CNc2nc(O)cc(-c3c(-c4ccc(F)cc4F)nc4c(C)nccn34)n2)CC1
SubComponent,Modify the molecule halo by substituting a O=C(NC(=O)c1ccc(F)cc1)NC1NC(=O)NC1=O with a nitrile.,N#Cc1ccc(C(=O)NC(=O)NC2NC(=O)NC2=O)cc1
DelComponent,Remove a hydroxyl from the molecule CC(C)[NH2+]CC1(C[NH+](CCO)C2CCC2)CCCCCC1.,CC[NH+](CC1(C[NH2+]C(C)C)CCCCCC1)C1CCC1
LogP,Please modify the molecule CCCCS(=O)(=O)Nc1ccc(NC(=O)N2CCC(C(=O)[O-])C2)cc1 to decrease its LogP value.,CCCCS(=O)(=O)NNC(=O)N1CCC(C(=O)[O-])C1
MR,Modify the molecule Cc1c(Cl)cccc1-n1nc(C(N)=O)nc1-c1ccc(Br)cc1 to have a lower MR value.,Cc1c(O)cccc1-n1nc(C(N)=O)nc1-c1ccc(Br)cc1
QED,Optimize the molecule O=C(CNc1ccc(C(=O)NCc2ccccc2)cc1)NCc1ccccc1Cl to have a lower QED value.,O=C(CNc1ccc(C(=O)NCc2ccccc2)cc1)NCc1ccccc1C(=O)[OH]
AtomNum,"There is a molecule with 22 carbon atoms, 3 nitrogen atoms, and 1 boron atom.",Cc1cc(C)n2c1C(c1ccc(NC3CCCC3)cc1)=C1C=CC=[N+]1B2
BondNum,"The molecule consists of 15 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CC(C)C([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 sulfide group.",O=C([O-])c1cccc(-c2csnn2)c1
AddComponent,Please add a benzene ring to the molecule CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1ccnn1C)CC2.,CCOC(=O)c1nn(Cc2ccc(OC)c(-c3ccccc3)c2)c2c1CN(C(=O)c1ccnn1C)CC2
SubComponent,Substitute a halo in the molecule CCCOCCOc1c(Cl)cccc1C[NH2+]CC(C)C with a nitrile.,CCCOCCOc1c(C#N)cccc1C[NH2+]CC(C)C
DelComponent,Please remove a benzene ring from the molecule CCCc1cc(NC(=O)CSc2ccccc2C)n[nH]1.,CCCc1cc(NC(=O)CSC)n[nH]1
LogP,Modify the molecule COc1ccccc1OCC(=O)N1CCCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 to have a lower LogP value.,COOCC(=O)N1CCCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1
MR,Optimize the molecule CCN(C(=O)Nc1ccccc1C(F)(F)F)C(C)c1nc2ccccc2c(=O)n1CC to have a higher MR value.,CC(=O)C(F)(F)c1ccccc1NC(=O)N(CC)C(C)c1nc2ccccc2c(=O)n1CC
QED,Please optimize the molecule CCC(C)NC(=O)C(Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O to have a higher QED value.,CCC(C)(Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O
AtomNum,"The molecule contains 27 carbon atoms, 6 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",O=C(CNc1ccccc1)NC1C(=O)N2C(C(=O)[O-])=C(C=C3CCN(Cc4cccc(O)c4)C3=O)CSC12
BondNum,"The molecule consists of 14 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",CCn1cnc(NC(=O)NC2CCOC(C)(C)C2)n1
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 2 amine groups, and 1 halo group.",Nc1c[nH+]cc(Br)c1NC1CCCC1CO
AddComponent,Please add a nitrile to the molecule COC1CC(c2ncn[nH]2)N(C(=O)NC2CCC(C(C)C)CC2)C1.,COC1CC(c2ncn[nH]2)N(C(=O)NC2CCC(C(C)(C)C#N)CC2)C1
SubComponent,Substitute a halo in the molecule Nc1cc(F)cc(Nc2c(Cl)ccc3nsnc23)c1 with a nitrile.,N#Cc1cc(N)cc(Nc2c(Cl)ccc3nsnc23)c1
DelComponent,Modify the molecule amine by removing a COc1cccc2cc(C(C)=NNc3cccc([N+](=O)[O-])c3)oc12.,COc1cccc2cc(C(C)=Nc3cccc([N+](=O)[O-])c3)oc12
LogP,Optimize the molecule O=C(CC1COC1)N1CCC(CO)CC1 to have a lower LogP value.,O=C(CC1COC1O)N1CCC(CO)CC1
MR,Please modify the molecule CC(c1nc(CCl)cs1)[NH+]1CCC(C)(C)CC1 to increase its MR value.,CC(c1nc(CCl)cs1)[NH+]1CCC(C)(C)C(c2ccccc2)C1
QED,Please optimize the molecule CC(C)N(CCC(=O)[O-])C(=O)COc1ccccc1F to have a lower QED value.,CC(C)N(CCC(=O)[O-])C(=O)COc1ccccc1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCC=CCCCC(=O)NC[NH+](C)CCCCCCCCCO
BondNum,"Please generate a molecule composed of 8 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(C)cc1CSc1cccc(C(=O)[O-])c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 2 amide groups, 1 amine group, 2 halo groups, 1 thioether group, and 1 sulfide group.",C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1SCCNC(C)=O
AddComponent,Add a benzene ring to the molecule CC1CC(NS(=O)(=O)C(F)F)CC1C(=N)n1c(N)cnc2nccc1-2.,CC1CC(NS(=O)(=O)C(F)(F)c2ccccc2)CC1C(=N)n1c(N)cnc2nccc1-2
SubComponent,Substitute a halo in the molecule CNc1nc(NC(CCO)C(C)C)c(Cl)cc1Cl with a nitrile.,CNc1nc(NC(CCO)C(C)C)c(C#N)cc1Cl
DelComponent,Modify the molecule O=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)Nc1ccccc1C(F)(F)F by removing a benzene ring.,O=C(CN1C(=O)CN=Cc2ccccc21)Nc1ccccc1C(F)(F)F
LogP,Modify the molecule CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)C1c1ccccc1C to have a lower LogP value.,CC(=O)c1ccc2oc(C(=O)C3=C(O)C(=O)N(CCC)C3c3ccccc3C)cc2c1
MR,Modify the molecule Cc1cc(C)n(CC2CCCN2CCS(=O)(=O)c2ccccc2)n1 to decrease its MR value.,Cc1cc(C)n(CC2CCCN2CC[SH](=O)=O)n1
QED,Optimize the molecule CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCNS(=O)(=O)C3CC3)nc2s1 to have a lower QED value.,CCCc1cc2c(N3CCn4c(nnc4C(F)F)C3)nc(OCCNS(=O)(=O)C3CC3)nc2s1
AtomNum,"Please generate a molecule with 20 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",N#Cc1ccccc1OCc1ccc(C(=O)N2CCc3sccc3C2)o1
BondNum,"The molecule consists of 4 single bonds, 1 double bond, 2 rotatable bonds, and 17 aromatic bonds.",O=C(c1ccc(F)c(F)c1)c1nccc2ccccc12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, 1 nitro group, and 1 halo group.",CC(C)CC(C)Nc1ccc([N+](=O)[O-])c(Br)c1
AddComponent,Modify the molecule [NH3+]CC(O)(CN1CCc2ccc(F)cc21)c1ccccc1 by adding a benzene ring.,[NH3+]C(c1ccccc1)C(O)(CN1CCc2ccc(F)cc21)c1ccccc1
SubComponent,Substitute a halo in the molecule Cc1cc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)ccc1Br with a nitrile.,Cc1cc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C#N)c(Cl)c3)C2=O)ccc1Br
DelComponent,Modify the molecule hydroxyl by removing a CCn1nc(C)cc1CC(O)c1cccc(C2CC2)c1.,CCn1nc(C)cc1CCc1cccc(C2CC2)c1
LogP,Modify the molecule Cn1nc(NCC2C3CC4CC(C3)CC2C4)nc1N to have a higher LogP value.,Cn1nc(CC2C3CC4CC(C3)CC2C4)nc1N
MR,Modify the molecule Cc1cccc(NC(=O)CN(CC2CCCO2)S(=O)(=O)c2cccc3nsnc23)c1C to have a lower MR value.,CN(C)C(=O)CN(CC1CCCO1)S(=O)(=O)c1cccc2nsnc12
QED,Modify the molecule Cc1ccc(CC([NH2+]C(C)CCCO)C(C)C)cc1 to have a lower QED value.,Cc1ccc(CC([NH2+]C(C)CCCO)C(C)CCC=O)cc1
AtomNum,"The molecule has 13 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",CCS(=O)(=O)NCc1ccc(-c2ccccc2)s1
BondNum,"There is a molecule composed of 17 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",COC(=O)N(Cc1ccc(OC)c(OC)c1)C(Cc1ccccc1)C(=O)C(F)(F)F
FunctionalGroup,"There is a molecule consisting of 1 amide group, 2 thioether groups, and 1 sulfide group.",CCSCCCN1CC[NH2+]C(CC)C1=O
AddComponent,Add a benzene ring to the molecule CC(NC(=O)CC1C=CCC1)c1ccc(OC(F)(F)F)cc1.,CC(NC(=O)CC1(c2ccccc2)C=CCC1)c1ccc(OC(F)(F)F)cc1
SubComponent,Please substitute a ClCCCCCc1nnnn1C1CCCCC1 in the molecule halo with a thiol.,SCCCCCc1nnnn1C1CCCCC1
DelComponent,Remove a CC(C)OC(=O)CC(NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1[N+](=O)[O-] from the molecule amide.,CC(C)OC(=O)CC(c1ccccc1[N+](=O)[O-])n1ccc2cc([N+](=O)[O-])ccc21
LogP,Please optimize the molecule Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc(Cl)ccc1Cl to have a lower LogP value.,Nc1cc(Cl)c(-c2nnc(SCC(=O)Nc3ccccc3F)n2N)cc1Cl
MR,Modify the molecule C=CCC(O)c1ccncc1Cl to decrease its MR value.,C=CCC(O)c1ccncc1
QED,Modify the molecule O=C([O-])CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCC1 to increase its QED value.,O=C([O-])CN(C1CC(S)S(=O)(=O)C1)S(=O)(=O)N1CCCC1
AtomNum,"Please generate a molecule composed of 50 carbon atoms, and 1 oxygen atom.",c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc5cc6c(cc45)oc4c5ccccc5c5ccccc5c64)c3)c3ccccc23)cc1
BondNum,"The molecule has 7 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Clc1ccc(CC(Cl)c2ccc(Cl)cc2Br)cc1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 2 amide groups.",COc1cccc(C(=O)NCC(=O)N2CCC(C(=O)[O-])(C(C)C)C2)c1
AddComponent,Add a thiol to the molecule CCc1sc(C(=O)NNC(=O)c2cccc(CN3CCCC3=O)c2)cc1C.,CCc1sc(C(=O)NNC(=O)c2cc(CN3CCCC3=O)ccc2S)cc1C
SubComponent,Please substitute a halo in the molecule COCCN(CC[NH3+])CCOCC(F)(F)F with a hydroxyl.,COCCN(CC[NH3+])CCOCC(O)(F)F
DelComponent,Modify the molecule amine by removing a CCC(=O)Nc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCCCC3)cc2)cc1.,CCC(=O)Nc1ccc(NC(=O)Cc2ccc(C(=O)N3CCCCCC3)cc2)cc1
LogP,Modify the molecule C=CC(=O)NC(C)(C)CC(C)(C)C(=O)[O-] to have a higher LogP value.,CC(C)(CC(C)(C)C(=O)[O-])NC(=O)C=Cc1ccccc1
MR,Modify the molecule O=C(CC[NH2+]Cc1ccccc1)c1ccc(F)cc1I to have a lower MR value.,C[NH2+]CCC(=O)c1ccc(F)cc1I
QED,Optimize the molecule CC(Nc1ncccc1Br)C(C)(C)O to have a lower QED value.,CC(Nc1ncccc1NO)C(C)(C)O
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",COCC1Cc2c([nH]c3ccccc23)C1c1ccccc1
BondNum,"The molecule consists of 8 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",NNC(Cc1cc(Br)ccc1F)c1cc(Br)cs1
FunctionalGroup,"The molecule consists of 1 amide group, 1 amine group, 1 halo group, and 1 sulfide group.",Cc1cc2nc(N)sc2c(C)c1NC(=O)c1cncc(Br)c1
AddComponent,Please add a benzene ring to the molecule O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)OCC1Cc1ccccc1.,O=C(C[P+](c1ccccc1)(c1ccccc1)c1cccc(-c2ccccc2)c1)N1C(=O)OCC1Cc1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)(C)OC(=O)N1CC(O)CC1CC(=O)N1CCC(c2cn(C(=O)[O-])c3ccccc23)CC1 with a halo.,CC(C)(C)OC(=O)N1CC(Cl)CC1CC(=O)N1CCC(c2cn(C(=O)[O-])c3ccccc23)CC1
DelComponent,Please remove a CN(Cc1ccc(O)cc1)C(=O)CCCCBr from the molecule amide.,CC(CCCBr)c1ccc(O)cc1
LogP,Modify the molecule COCOc1ccc(C=CC(=O)c2ccc(OCC=C(C)CCC=C(C)C)cc2O)cc1 to increase its LogP value.,CC(=O)c1cc(OCC=C(C)CCC=C(C)C)ccc1C(=O)C=Cc1ccc(OCOC)cc1
MR,Modify the molecule COc1ccc(CNS(=O)(=O)Cc2ccc(CC(=O)[O-])cc2)c(OC)c1 to have a lower MR value.,COC(NS(=O)(=O)Cc1ccc(CC(=O)[O-])cc1)OC
QED,Please modify the molecule Bc1ccc2c(c1)C(=O)C=CCO2 to decrease its QED value.,Bc1ccc2c(c1)C(=O)C(C(=O)O)=CCO2
AtomNum,"The molecule consists of 12 carbon atoms, 1 oxygen atom, and 1 fluorine atom.",O=C1CCC(Cc2ccccc2F)C1
BondNum,"Please generate a molecule consisting 20 single bonds, 4 double bonds, 9 rotatable bonds, and 17 aromatic bonds.",COc1ccc(C2c3ccsc3CCN2C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1
FunctionalGroup,The molecule has and 1 amide group.,CC1(c2ccn[nH]2)C=COC1C(N)=O
AddComponent,Add a amine to the molecule C[NH+]1CCN(N=Nc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)CC1.,C[NH+]1CCN(N=Nc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)CC1N
SubComponent,Please substitute a halo in the molecule [NH3+]C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1O with a nitrile.,N#CC(F)(F)c1ccc(F)c(C[NH+]2CCC([NH3+])C(O)C2)c1
DelComponent,Please remove a CC1(C)C(C(F)(F)F)CCN1CC1CNC(=O)O1 from the molecule halo.,CC1(C)C(C(F)F)CCN1CC1CNC(=O)O1
LogP,Modify the molecule CCCOc1ccc2c(c1)CCN(c1ccc(C#N)nn1)C2 to increase its LogP value.,CC(=O)c1ccc(N2CCc3cc(OCCC)ccc3C2)nn1
MR,Modify the molecule COc1ccc(C=Nc2ccc(C)cc2C)cc1O to decrease its MR value.,CCN=Cc1ccc(OC)c(O)c1
QED,Modify the molecule COc1ccc(-c2c(F)cccc2F)c(C[NH2+]C2CC2)c1 to decrease its QED value.,COc1ccc(-c2c(F)cccc2S)c(C[NH2+]C2CC2)c1
AtomNum,"The molecule has 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1cccc(OCCNC(=O)C(C)n2cnc3ccccc32)c1
BondNum,"The molecule contains 10 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",Clc1nc(Cl)nc(NCC2CCSC2)n1
FunctionalGroup,"The molecule contains 1 ester group, 1 amide group, and 1 sulfide group.",CCOC(=O)c1csc(CNC(=O)C2CC3CCCCC3[NH2+]2)n1
AddComponent,Please add a benzene ring to the molecule CC1CC(CCCCCC(=O)C2OC2CCCC=O)OC(C)(C)O1.,CC1CC(C(CCCCC(=O)C2OC2CCCC=O)c2ccccc2)OC(C)(C)O1
SubComponent,Please substitute a COc1ccc(CCc2ccc(CCl)cc2)cc1 in the molecule halo with a nitrile.,COc1ccc(CCc2ccc(CC#N)cc2)cc1
DelComponent,Please remove a Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(C(C(=O)c3ccc(C(F)(F)F)nc3)C3CC[NH2+]CC3)c2)cc1 from the molecule halo.,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(C(C(=O)c3ccc(C(F)F)nc3)C3CC[NH2+]CC3)c2)cc1
LogP,Optimize the molecule [NH3+]Cc1ccc(C(=O)Cc2cccc(Br)c2)o1 to have a lower LogP value.,[NH3+]Cc1ccc(C(=O)Cc2cccc(NO)c2)o1
MR,Please optimize the molecule C[NH2+]C(CC(C)C)c1cc(Br)ccc1Cl to have a lower MR value.,C[NH2+]C(CC(C)C)c1cc(C(=O)[OH])ccc1Cl
QED,Modify the molecule COc1cccc(C(=O)NCB2OC(C)(C)C(C)(C)O2)c1 to decrease its QED value.,COc1cccc(C(=O)NCB2OC(C)(C)C(C)(CN)O2)c1
AtomNum,"There is a molecule composed of 18 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C([O-])CCC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21
BondNum,"The molecule is composed of 5 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",Cc1nc2ccc(F)cc2n1CC(=O)[O-]
FunctionalGroup,Please generate a molecule with and 3 halo groups.,Fc1cc2[nH]ncc2cc1C(F)(F)c1nnc2ccc(-c3cnn(C4CC4)c3)nn12
AddComponent,Modify the molecule CCC(CC)C(Cc1cccc(Cl)c1)C(=O)[O-] by adding a benzene ring.,CCC(CC)C(Cc1cc(Cl)cc(-c2ccccc2)c1)C(=O)[O-]
SubComponent,Please substitute a CCCCC[SiH]1CCC(C2CCC(CCCCc3ccc(OC(F)=C(F)F)cc3)CC2)CC1 in the molecule halo with a hydroxyl.,CCCCC[SiH]1CCC(C2CCC(CCCCc3ccc(OC(O)=C(F)F)cc3)CC2)CC1
DelComponent,Modify the molecule O=C1CC(=S)Nc2ccc(Cl)cc2N1c1ccccc1 by removing a amine.,O=C1CC(=S)c2ccc(Cl)cc2N1c1ccccc1
LogP,Modify the molecule O=C(c1cccc(Cl)c1)c1ccc(=O)n2c3c([nH]c12)CCCC3 to decrease its LogP value.,CC(=O)c1cccc(C(=O)c2ccc(=O)n3c4c([nH]c23)CCCC4)c1
MR,Optimize the molecule CN(Cc1cccc(F)c1)C1(C[NH3+])CCN2CCCCC21 to have a higher MR value.,CC(=O)c1cccc(CN(C)C2(C[NH3+])CCN3CCCCC32)c1
QED,Optimize the molecule CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(O)(O)=S to have a lower QED value.,CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(O)(=S)S
AtomNum,"There is a molecule with 13 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 fluorine atom.",CC1(Oc2cccc(F)c2C#N)CCCC1
BondNum,"The molecule contains 9 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",CC(C)N(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)c1ccccc1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 ketone group, 1 thioether group, and 1 sulfide group.",CCc1ccc(CC)c(C(=O)CSc2nnnn2-c2cc(OC)ccc2OC)c1
AddComponent,Add a hydroxyl to the molecule Cn1nc(CC([NH3+])C2CCC(F)(F)CC2)c2ccccc21.,Cn1nc(CC([NH3+])C2CCC(F)(F)C(O)C2)c2ccccc21
SubComponent,Please substitute a CCSc1ccc(C(=O)N2CCCC(C(C)O)C2)cn1 in the molecule hydroxyl with a nitro.,CCSc1ccc(C(=O)N2CCCC(C(C)NO)C2)cn1
DelComponent,Remove a benzene ring from the molecule Cc1cc(C)cc(-c2nnc(CC[NH2+]C3CC3)o2)c1.,CCc1nnc(CC[NH2+]C2CC2)o1
LogP,Optimize the molecule CC(C)c1cccc(-c2ccc(N3CC[NH+](C)CC3)nc2)c1 to have a lower LogP value.,CC(CCC=O)c1cccc(-c2ccc(N3CC[NH+](C)CC3)nc2)c1
MR,Modify the molecule COc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2C)c1 to have a lower MR value.,COc1ccc(NC(=O)CSc2nnc(OC)n2C)c(OC)c1
QED,Modify the molecule CCOC(=O)C(C)[NH2+]Cc1cn(C)nn1 to have a lower QED value.,CC(O)OC(=O)C(C)[NH2+]Cc1cn(C)nn1
AtomNum,"The molecule consists of 8 carbon atoms, and 3 oxygen atoms.",CC(C)c1occc1C(=O)[O-]
BondNum,"The molecule consists of 47 single bonds, 2 double bonds, and 41 rotatable bonds.",CCCCCCCCC=CCCCCCCCC([NH3+])P(C=CCCCCCCCCCCCCCCCC)(CCCC)(CCCC)CCCC
FunctionalGroup,"There is a molecule consisting of 2 ketone groups, and 2 halo groups.",CC[NH2+]CC1CCN(c2c(F)cc3c(c2F)N(C2CC2)C(C(=O)[O-])C(=O)C3=O)C1
AddComponent,Add a hydroxyl to the molecule CNC(=O)NCCN1CC[NH2+]CC1.,CNC(=O)NCCN1CC[NH2+]CC1O
SubComponent,Please substitute a halo in the molecule CC(C)C(CCl)Cc1nc(C(C)(C)C)cs1 with a hydroxyl.,CC(C)C(CO)Cc1nc(C(C)(C)C)cs1
DelComponent,Modify the molecule amine by removing a Nc1c(C(=O)NCc2cccs2)nnn1CC(=O)Nc1ccccc1.,O=C(Cn1cc(C(=O)NCc2cccs2)nn1)Nc1ccccc1
LogP,Please optimize the molecule O=[N+]([O-])c1cc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc(Sc2ccc(F)cc2)c1 to have a lower LogP value.,O=[N+]([O-])c1cc(Nc2nc(-c3ccccc3S)nc3ccccc23)cc(Sc2ccc(F)cc2)c1
MR,Please optimize the molecule O=C(COc1ccccc1F)NNC(=O)CC1CC2CCC1C2 to have a higher MR value.,ONc1ccccc1OCC(=O)NNC(=O)CC1CC2CCC1C2
QED,Please modify the molecule Cc1ccc(Cl)cc1NC(=O)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 to decrease its QED value.,Cc1ccc(Cl)cc1NC(=O)Nc1ccc(-c2cc3c(O)c(F)ccc3[nH]2)cc1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",O=C(CCc1ccccc1)N1CCN(C(=O)NC2CCCC2)CC1
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(N)c(SCc2ccc(C(N)=O)cc2)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 sulfide group.",CCc1ccc2nc(N(Cc3ccccc3)C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1
AddComponent,Please add a hydroxyl to the molecule O=C([O-])C(O)c1c(F)cc([N+](=O)[O-])cc1Br.,O=C([O-])C(O)c1c(Br)cc([N+](=O)[O-])c(O)c1F
SubComponent,Please substitute a halo in the molecule Cc1cc(-c2nnc(NC3CC(OC(=O)c4ccccc4)C3)s2)nc2c(C(C)(C)C)cc(OCC(F)(F)F)cc12 with a nitro.,Cc1cc(-c2nnc(NC3CC(OC(=O)c4ccccc4)C3)s2)nc2c(C(C)(C)C)cc(OCC(F)(F)NO)cc12
DelComponent,Modify the molecule C=C(C(=O)OCC)C(C)Oc1cccc(O)c1I by removing a halo.,C=C(C(=O)OCC)C(C)Oc1cccc(O)c1
LogP,Optimize the molecule C=C(C)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl to have a lower LogP value.,CC(=O)C(F)Oc1c(Cl)c(-c2cc(OCC(=C)C)c(Cl)cc2F)nn1C
MR,Modify the molecule O=C1NC(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1C1CCCCC1 to have a lower MR value.,O=C1NC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1C1CCCCC1
QED,Modify the molecule Cc1cc(N)ccc1S(=O)(=O)NC1CC[NH+](C)C1 to decrease its QED value.,Cc1cc(N)ccc1S(=O)(=O)NC1CC[NH+](CO)C1
AtomNum,"The molecule contains 18 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2ccccc2O)CC1
BondNum,"There is a molecule composed of 15 single bonds, and 3 rotatable bonds.",NC1CCCC1[NH2+]CC1CCOCC1
FunctionalGroup,"Please generate a molecule with 5 amide groups, and 6 amine groups.",NC(=O)C(CCC[NH+]=C(N)N)NC(=O)CNC(=O)C1CCCN1C(=O)C1CC2CCCCC2N1C(=O)C([NH3+])CCC[NH+]=C(N)N
AddComponent,Please add a hydroxyl to the molecule N#CCCNC(=O)COc1ccc(-c2ccccc2)cc1Cl.,N#CCCNC(=O)COc1cc(O)c(-c2ccccc2)cc1Cl
SubComponent,Modify the molecule CC1CN(c2cc(Oc3ccc(Cl)cc3)ncn2)CCN1C(=O)C(C)(C)C by substituting a halo with a nitro.,CC1CN(c2cc(Oc3ccc(NO)cc3)ncn2)CCN1C(=O)C(C)(C)C
DelComponent,Please remove a CC[NH2+]C1CC12CCC[NH+](Cc1ccccc1)C2 from the molecule benzene ring.,CC[NH2+]C1CC12CCC[NH+](C)C2
LogP,Modify the molecule COC(=O)N=C(SC)C(=Nc1ccc(-c2noc(C)n2)cc1)c1cc(O)cc(OC)c1 to have a higher LogP value.,COC(=O)N=C(SC)C(=Nc1ccc(-c2noc(C)n2)cc1)c1cc(NO)cc(OC)c1
MR,Optimize the molecule O=C1Nc2cc(I)c(F)cc2N2CCCC12 to have a lower MR value.,O=C([OH])c1cc2c(cc1F)N1CCCC1C(=O)N2
QED,Please optimize the molecule [NH3+]C(C(=O)[O-])c1c(O)cc(C(F)(F)F)cc1C(F)(F)F to have a lower QED value.,[NH3+]C(C(=O)[O-])c1c(NO)cc(C(F)(F)F)cc1C(F)(F)F
AtomNum,"There is a molecule with 13 carbon atoms, 1 nitrogen atom, 1 sulfur atom, 3 fluorine atoms, and 1 bromine atom.",CC1CSCCN1c1ccc(CBr)c(C(F)(F)F)c1
BondNum,"The molecule is composed of 13 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CCC1CCCN1S(=O)(=O)c1cc(C)c(F)c(CO)c1
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,CCC[NH2+]C1CCCN(C(C)C2CCC2)C1=O
AddComponent,Please add a hydroxyl to the molecule Clc1c(CC2CC[NH2+]CC2)ccc2[nH]ccc12.,OC1CC(Cc2ccc3[nH]ccc3c2Cl)CC[NH2+]1
SubComponent,Modify the molecule CCN(CC)C(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3C)cc2C)CC1 by substituting a halo with a hydroxyl.,CCN(CC)C(=O)c1ccc(O)cc1NC(=O)CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3C)cc2C)CC1
DelComponent,Remove a COC(=O)c1ccc(C#Cc2ccc([Si](c3ccc(C#Cc4ccc(C(=O)OC)cc4)cc3)(c3ccc(C#Cc4ccc(C(=O)OC)cc4)cc3)c3ccc(C#Cc4ccc5ccc6cccc7ccc4c5c67)cc3)cc2)cc1 from the molecule benzene ring.,COC(=O)c1ccc(C#Cc2ccc([Si](C#Cc3ccc4ccc5cccc6ccc3c4c56)(c3ccc(C#Cc4ccc(C(=O)OC)cc4)cc3)c3ccc(C#Cc4ccc(C(=O)OC)cc4)cc3)cc2)cc1
LogP,Please optimize the molecule CCC(Sc1ncc[nH]1)C([NH2+]C)c1ccccc1 to have a lower LogP value.,CCC(Sc1ncc[nH]1)C([NH2+]C)c1cccc(O)c1
MR,Please optimize the molecule O=C(c1ccccc1F)N1CCSC(c2ccccc2)CC1 to have a lower MR value.,O=C(c1ccccc1F)N1CCCSCC1
QED,Modify the molecule OCCN(Cc1ccccc1)C(=S)NCc1cccc(F)c1 to have a lower QED value.,OCCN(Cc1cccc(-c2ccccc2)c1)C(=S)NCc1cccc(F)c1
AtomNum,"Please generate a molecule with 12 carbon atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CC1CC([NH2+]CCN(C)C)c2ccsc2S1
BondNum,"There is a molecule consisting of 15 single bonds, 10 rotatable bonds, and 6 aromatic bonds.",CCC[NH2+]Cc1ccccc1OCCOCCC(F)(F)F
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amine group, and 2 halo groups.",Nc1n[nH]c(-c2ccnnc2)c1-c1c(F)cccc1Cl
AddComponent,Modify the molecule CCC(CO)(CO)NC(=O)c1ccccc1C(F)(F)F by adding a benzene ring.,CCC(CO)(NC(=O)c1ccccc1C(F)(F)F)C(O)c1ccccc1
SubComponent,Substitute a O=CN1CCN(c2ccc(N3CC(CCC(=O)C(Cl)Cl)OC3=O)cc2F)C=[NH+]1 in the molecule halo with a nitrile.,N#CC(Cl)C(=O)CCC1CN(c2ccc(N3C=[NH+]N(C=O)CC3)c(F)c2)C(=O)O1
DelComponent,Please remove a halo from the molecule COCc1c[nH]c2cc(Cl)ccc12.,COCc1c[nH]c2ccccc12
LogP,Modify the molecule O=S(=O)(N1CCOCC1)N1CCCC1Cc1ccccc1 to decrease its LogP value.,O=C(O)c1ccc(CC2CCCN2S(=O)(=O)N2CCOCC2)cc1
MR,Please optimize the molecule CCc1c(C)sc2nc(C)nc(SCC(=O)N3c4ccc(F)cc4CCC3C)c12 to have a higher MR value.,CCc1c(C)sc2nc(C)nc(SCC(=O)N3c4ccccc4CCC3C)c12
QED,Modify the molecule CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc53)c3ccccc3-4)cc21 to have a higher QED value.,CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc53)c3ccccc3-4)c(O)c21
AtomNum,"The molecule consists of 19 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC(N2CC[NH2+]CC2)C1
BondNum,"There is a molecule composed of 7 single bonds, 3 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",Cc1nn2c(=O)c3ccccc3nc2n(NC(=O)CC(C)C)c1=O
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, and 3 amine groups.",CCc1nc(NN)cc(NCC(C)(C)O)n1
AddComponent,Add a benzene ring to the molecule CC(C)CCOCCN1c2ccccc2CC1C(=O)[O-].,CC(C)CCOCCN1c2cccc(-c3ccccc3)c2CC1C(=O)[O-]
SubComponent,Modify the molecule CC1(C(=O)[O-])CCC(C)(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3cncc(N)n23)C1 by substituting a halo with a carboxyl.,CC1(C(=O)[O-])CCC(C)(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)C(=O)[OH])ccn4)cc3)c3cncc(N)n23)C1
DelComponent,Remove a Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 from the molecule amide.,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1OC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
LogP,Modify the molecule CC1(C)CC(O)(c2ccc3c(c2)OCCCO3)CCO1 to increase its LogP value.,CC1(C)CC(c2ccc3c(c2)OCCCO3)CCO1
MR,Modify the molecule COc1cc(Br)c(C(F)F)c(CC#N)c1 to decrease its MR value.,COc1cc(Br)c(CF)c(CC#N)c1
QED,Please optimize the molecule CCNC(=O)C(C)[NH2+]C(C)CCc1ccccc1 to have a lower QED value.,CC(N)NC(=O)C(C)[NH2+]C(C)CCc1ccccc1
AtomNum,"The molecule is composed of 15 carbon atoms, and 4 nitrogen atoms.",CCC[NH2+]Cc1cnc(-c2ncccc2CC)nc1
BondNum,"The molecule contains 13 single bonds, 2 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",O=C([O-])C1CCCCCN1C(=O)NCc1cnc[nH]1
FunctionalGroup,"The molecule has 3 benzene ring groups, 5 amide groups, and 1 halo group.",Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(C)[NH+]3CCC(C(=O)NC(C(=O)Nc4ccc(C)c(NC(=O)C(C)C)c4)C(C)C)CC3)c2)c(F)c1
AddComponent,Modify the molecule CC(C)=CCN1C(=O)C2CCC1CN(C(=O)CSc1nnc(C)s1)C2 by adding a hydroxyl.,CC(=CCN1C(=O)C2CCC1CN(C(=O)CSc1nnc(C)s1)C2)CO
SubComponent,Please substitute a O=C([O-])C1CCCC(Nc2nc(-c3n[nH]c4ccc(F)cc34)ncc2F)C1 in the molecule halo with a nitrile.,N#Cc1ccc2[nH]nc(-c3ncc(F)c(NC4CCCC(C(=O)[O-])C4)n3)c2c1
DelComponent,Modify the molecule amide by removing a O=C1CNC(=O)N1CC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1.,NC(=O)CC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1
LogP,Modify the molecule Cc1ccc(F)cc1CC(O)C1CCCC1(C)C to have a lower LogP value.,Cc1ccc(F)cc1CC(O)C1C(N)CCC1(C)C
MR,Optimize the molecule Cc1ccc(O)c(C(=O)NCC(=O)c2ccccc2)c1 to have a higher MR value.,Cc1ccc(O)c(C(=O)NCC(=O)c2ccc(O)cc2)c1
QED,Modify the molecule O=C(Nc1ccc(N2CCCCC2)cn1)c1ccccc1Br to have a lower QED value.,O=C(Nc1ccc(N2CCCCC2)cn1)c1ccccc1S
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 selenium atom.",OC1=C([Se]c2ccccc2)CC2OCC(c3ccccc3)[NH+]12
BondNum,"The molecule is composed of 20 single bonds, 3 double bonds, and 7 rotatable bonds.",CCNC(=O)C(C)(C)C[NH+]=C(NCC)N(C)CC(=O)NC(C)(C)C
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 2 amide groups, 1 amine group, 1 halo group, 1 sulfide group, and 1 disulfide group.",Nc1ccc(SSc2ccc(N3C(=O)c4cccc5c(Br)ccc(c45)C3=O)cc2)cc1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(C([NH3+])C2CCCc3ccccc32)cc1Cl.,Cc1ccc(C([NH3+])C2(O)CCCc3ccccc32)cc1Cl
SubComponent,Please substitute a halo in the molecule CC(C)C(Cc1ccc(F)cc1)NC(=O)c1ccn(C2CCC[NH2+]C2)n1 with a nitro.,CC(C)C(Cc1ccc(NO)cc1)NC(=O)c1ccn(C2CCC[NH2+]C2)n1
DelComponent,Remove a benzene ring from the molecule C=CC[N+]1=C(Cc2ccccc2)N(C(C)O)CC1.,C=CC[N+]1=C(C)N(C(C)O)CC1
LogP,Please optimize the molecule CCOCC(O)C[NH+](C)CC(C)(C)C[NH3+] to have a lower LogP value.,C[NH+](CC(O)COCCO)CC(C)(C)C[NH3+]
MR,Please modify the molecule Cc1nc(C2CCCN(C(=O)CC(C)NC(=O)C3CCCC3)C2)sc1C to decrease its MR value.,Cc1nc(C2CCCC2C(C)NC(=O)C2CCCC2)sc1C
QED,Please optimize the molecule [NH3+]CCOCCOP(=O)([O-])OP(=O)([O-])OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O to have a higher QED value.,[NH3+]CCOCCOP(=O)([O-])OP(=O)([O-])OCC1OC(n2ccc(=O)[nH]c2=O)C(F)C1O
AtomNum,"There is a molecule composed of 10 carbon atoms, 2 nitrogen atoms, and 2 chlorine atoms.",CCNc1cc(Cl)c(Cl)cc1NCC
BondNum,"Please generate a molecule composed of 14 single bonds, 1 double bond, and 6 rotatable bonds.",CCOC(=O)C([NH3+])CCOC1CCOC1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 5 amide groups, and 2 halo groups.",COc1cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)CC2)ccc1NC(=O)c1ccc(F)cc1
AddComponent,Add a amine to the molecule COc1ccc(NC(=O)C(C)(C)C(=O)Nc2cc(C)ccc2C)cc1OC.,COc1ccc(NC(=O)C(C)(C)C(=O)Nc2cc(C)c(N)cc2C)cc1OC
SubComponent,Modify the molecule Cn1ncc(Cl)c1C(NN)c1ccc(Cl)cc1Cl by substituting a halo with a nitrile.,Cn1ncc(C#N)c1C(NN)c1ccc(Cl)cc1Cl
DelComponent,Please remove a halo from the molecule O=C([O-])N(Cc1ccccc1)C1(c2ccc(-c3nc4ccc(Cl)nc4nc3-c3ccccc3)cc2)CC1.,O=C([O-])N(Cc1ccccc1)C1(c2ccc(-c3nc4cccnc4nc3-c3ccccc3)cc2)CC1
LogP,Please modify the molecule CC(NC(=O)CC1CCCCC12OCCO2)c1ccccc1 to increase its LogP value.,CC(c1ccccc1)C1CCCCC12OCCO2
MR,Modify the molecule Nc1ccc(=O)n(CCSc2ccc3c(c2)CCC3)c1 to increase its MR value.,Nc1ccc(=O)n(CCSc2ccc3c(c2)CC(CC=O)C3)c1
QED,Modify the molecule COc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1N1CCCC1=O to decrease its QED value.,COc1ccc(S(=O)(=O)NCCSc2ccc(NO)cc2)cc1N1CCCC1=O
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Clc1cccc(-n2c(SCc3cc(-c4ccco4)on3)nnc2N2CCCC2)c1
BondNum,"The molecule has 12 single bonds, 1 double bond, 6 rotatable bonds, and 22 aromatic bonds.",O=C(NCc1ccc(F)c(Cl)c1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1
FunctionalGroup,"Please generate a molecule composed of 1 ester group, 1 amide group, 1 nitrile group, and 1 sulfide group.",N#Cc1c(NC(=O)COC(=O)c2cccnc2)sc2c1CCc1ccccc1-2
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(C=C(C(O)C(C)(C)C)n2cncn2)cc1.,Cc1ccc(C=C(C(O)C(C)(C)CO)n2cncn2)cc1
SubComponent,Substitute a hydroxyl in the molecule COc1ccc(CC[NH+](C)CC2(CO)CCC2)cc1 with a aldehyde.,CC(=O)CC1(C[NH+](C)CCc2ccc(OC)cc2)CCC1
DelComponent,Modify the molecule amine by removing a Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nc2)s1.,O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nncs2)cn1
LogP,Optimize the molecule Cc1cccc(OCCC(=O)c2sccc2C)c1 to have a lower LogP value.,COCCC(=O)c1sccc1C
MR,Please modify the molecule Cc1c(C(=O)[O-])c2ccc(Cl)cc2n1C to decrease its MR value.,Cc1c(C(=O)[O-])c2ccc(O)cc2n1C
QED,Please optimize the molecule Cc1cccc(C(=O)NC(CC(C)(C)C)C(=O)NCCN2CCc3cc(F)ccc32)c1 to have a higher QED value.,Cc1cccc(C(=O)NC(CN2CCc3cc(F)ccc32)CC(C)(C)C)c1
AtomNum,"There is a molecule consisting of 25 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",Cc1cc(C)cc(C2(C(=O)N3CCCC(c4nc(-c5cccc(F)c5)no4)C3)CC2)c1
BondNum,"The molecule is composed of 8 single bonds, 2 double bonds, 5 rotatable bonds, and 21 aromatic bonds.",O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1cc(-c2ccccc2)n[nH]1
FunctionalGroup,"There is a molecule consisting of 3 hydroxyl groups, and 1 ester group.",C=C(C(CC(O)C(C)(C)O)OCC(C)=CC)C1CC2OC2(C)C(O)C1OC(=O)C(C)=CC
AddComponent,Modify the molecule CCc1c(C(=O)N2CCC(C)(C(=O)[O-])C2)cnn1-c1cccc(Cl)c1 by adding a benzene ring.,CCc1c(C(=O)N2CCC(C)(C(=O)[O-])C2)cnn1-c1cccc(Cl)c1-c1ccccc1
SubComponent,Modify the molecule NNc1ccc(C(=O)Nc2cc(Br)ccc2Cl)cn1 by substituting a halo with a aldehyde.,CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NN)nc2)c1
DelComponent,Remove a benzene ring from the molecule N#Cc1ccc(C=CC2CCC[NH2+]C2)cc1.,N#CC=CC1CCC[NH2+]C1
LogP,Modify the molecule O=C1c2ccccc2C(=O)N1c1cccc(-c2csc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1 to have a lower LogP value.,O=C1c2ccccc2C(=O)N1c1csc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
MR,Modify the molecule COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)COc2c(Br)cc(Br)c3cccnc23)cc1 to have a lower MR value.,COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)COc2c(Br)ccc3cccnc23)cc1
QED,Modify the molecule CC(=O)SCCC[N+]12CCC(CC1)C(NC(=O)C(O)(c1ccc(F)c(C)c1)c1ccc(Br)s1)C2 to have a lower QED value.,CC(=O)C(C(=O)NC1C[N+]2(CCCSC(C)=O)CCC1CC2)(c1ccc(F)c(C)c1)c1ccc(Br)s1
AtomNum,"There is a molecule composed of 5 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",COCCNc1ncns1
BondNum,"There is a molecule with 20 single bonds, 3 double bonds, 11 rotatable bonds, and 21 aromatic bonds.",COc1ccc(F)cc1C(Cn1c(=O)n(C(C)C(=O)N(C)C(C)C)c(=O)c2c(C)c(-n3cccn3)sc21)OCCO
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 4 amide groups, and 3 halo groups.",CC1CCCN(C(=O)c2ccc(Cl)c(NC(=O)C[NH+]3CCC(C(=O)NCCC(=O)Nc4ccc(Cl)cc4Cl)CC3)c2)C1
AddComponent,Please add a amine to the molecule CC(NC(=O)CC(=O)NC(C)C1(O)CCCC1)C1(O)CCCC1.,CC(NC(=O)CC(=O)NC(C)(N)C1(O)CCCC1)C1(O)CCCC1
SubComponent,Substitute a halo in the molecule CC1CN2C(c3ccc(Cl)cc3)=[NH+]C=C3C=CC(=O)NC1=C32 with a thiol.,CC1CN2C(c3ccc(S)cc3)=[NH+]C=C3C=CC(=O)NC1=C32
DelComponent,Please remove a CCN(CC)C(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3cc(C)ccc3C)CC2)c(C)c1 from the molecule benzene ring.,CCN(CC)C(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)N(C)C)CC2)c(C)c1
LogP,Optimize the molecule CC=Cc1ccc(NC(C)=O)cc1 to have a lower LogP value.,CC=Cc1ccc(NC(=O)CO)cc1
MR,Please modify the molecule C[NH+]=C(NCc1nc(C)c(C)s1)N(C)Cc1ccccc1Cl to increase its MR value.,C[NH+]=C(NCc1nc(C)c(C)s1)N(CO)Cc1ccccc1Cl
QED,Modify the molecule COc1ccccc1-c1ccc(N2CC(F)(F)C2)nc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C to decrease its QED value.,COc1ccccc1-c1ccc(N2CC(F)(S)C2)nc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C
AtomNum,"Please generate a molecule with 20 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 2 sulfur atoms, and 2 chlorine atoms.",O=C(CSc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl
BondNum,"The molecule consists of 9 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",COc1cc(Cl)c(C)cc1NC(=S)Nc1ccc(F)cc1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 1 nitro group, and 2 halo groups.",O=C(Nc1cc(Cl)ncn1)c1cc([N+](=O)[O-])ccc1I
AddComponent,Add a hydroxyl to the molecule O=C(Nc1nc(-c2cccnc2)cs1)c1ccno1.,O=C(Nc1nc(-c2cncc(O)c2)cs1)c1ccno1
SubComponent,Modify the molecule O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cc(Cl)ccc1Cl by substituting a halo with a aldehyde.,CC(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)c1
DelComponent,Please remove a CCOC(=O)c1cccc2c1ccn2-c1cncc(C2CCCN2C(=O)C(NC(=O)OC(C)(C)C)C(C)C)c1 from the molecule amide.,CCOC(=O)c1cccc2c1ccn2-c1cncc(C2(C(C)(C)NC(=O)OC(C)(C)C)CCC2)c1
LogP,Please optimize the molecule Cc1nn(C)cc1C(=O)NCCCCC(N)=[NH+]O to have a lower LogP value.,Cc1nn(C)cc1C(=O)NCCCC(O)C(N)=[NH+]O
MR,Modify the molecule O=C(NC1CCC(CNc2ccc(Cl)nc2)CC1)c1cc(C(F)(F)F)ccc1Cl to decrease its MR value.,N#Cc1ccc(NCC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)cn1
QED,Please modify the molecule N#Cc1c[nH]c2ccc(NSc3cc(Cl)cc(Cl)c3)cc12 to decrease its QED value.,N#Cc1c[nH]c2ccc(NSc3cc(Cl)cc(NO)c3)cc12
AtomNum,"The molecule is composed of 12 carbon atoms, 1 nitrogen atom, 1 fluorine atom, and 1 bromine atom.",CCCC([NH3+])CCc1ccc(F)c(Br)c1
BondNum,"The molecule is composed of 20 single bonds, 1 double bond, and 4 rotatable bonds.",O=C(CCC1CCCC1)N1CCCC1C1CCC[NH2+]1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 halo group.",CCCN1CCCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1=O
AddComponent,Please add a carboxyl to the molecule CC(=Cc1ccccc1)C1NC(=O)c2c(sc3c2CC[NH+](Cc2ccccc2)C3)N1.,CC(=Cc1ccccc1)C1NC(=O)c2c(sc3c2CC[NH+](C(C(=O)O)c2ccccc2)C3)N1
SubComponent,Modify the molecule Cc1cccc(OCCN(C)S(=O)(=O)c2ccccc2OC(F)(F)F)c1 by substituting a halo with a hydroxyl.,Cc1cccc(OCCN(C)S(=O)(=O)c2ccccc2OC(O)(F)F)c1
DelComponent,Modify the molecule amide by removing a Cc1ccc(C(C)C)c(OCCN2C(=O)SC(=Cc3ccc(-c4ccccc4)cc3)C2=O)c1.,Cc1ccc(C(C)C)c(OCC(Cc2ccc(-c3ccccc3)cc2)C(=O)S)c1
LogP,Modify the molecule CC(C[NH2+]C(C)c1nc2ccccc2[nH]1)c1ccccc1 to have a lower LogP value.,CCC[NH2+]C(C)c1nc2ccccc2[nH]1
MR,Modify the molecule C=C(Nc1ncc(SC)s1)c1ccccc1C to decrease its MR value.,C=C(c1ncc(SC)s1)c1ccccc1C
QED,Please optimize the molecule CC(C)C(NC(N)=O)C(=O)N1CCC(C)(C(=O)[O-])C1 to have a higher QED value.,CC(C)C1C(NC(N)=O)CC1(C)C(=O)[O-]
AtomNum,"The molecule has 12 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CN(C)C(=O)c1cc(NCCOCC(=O)[O-])cc[nH+]1
BondNum,"The molecule consists of 20 single bonds, 4 double bonds, 11 rotatable bonds, and 12 aromatic bonds.",COCP(=O)(NC(C)C(=O)OC(C)C)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
FunctionalGroup,There is a molecule with and 1 nitrile group.,CC([NH3+])COc1cnn(CC#N)c(=O)c1
AddComponent,Please add a benzene ring to the molecule C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NCC5(c6ccccc6)CC5)cc34)cc2)CC1.,C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NCC5(c6ccccc6)CC5)c(-c5ccccc5)c34)cc2)CC1
SubComponent,Substitute a nitrile in the molecule N#Cc1ccsc1NC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 with a carboxyl.,O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)Nc1sccc1C(=O)[OH]
DelComponent,Modify the molecule O=C(NCCOc1ccc(Br)cc1)c1ccccc1Br by removing a halo.,O=C(NCCOc1ccc(Br)cc1)c1ccccc1
LogP,Please optimize the molecule CC1C=CC=CC=Cc2c(ccc3c2c2ccccc2n3C2=CC=CC=CC=CC=CC=C2)Sc2c1ccc1c2c2ccccc2n1-c1ccc(-c2ccccc2)cc1 to have a lower LogP value.,CC1C=CC=CC=Cc2c(ccc3c2c2ccccc2n3C2=CC=CC=CC=CC=CC=C2)Sc2c1ccc1c2c2ccccc2n1-c1ccccc1
MR,Modify the molecule CCCn1c(C2CC(=O)N(c3cc(Cl)ccc3C)C2)nc2ccccc21 to have a higher MR value.,CCCn1c(C2(C(=O)O)CC(=O)N(c3cc(Cl)ccc3C)C2)nc2ccccc21
QED,Please optimize the molecule CC(=O)N1C(=O)C(C)NC(=O)C2CCCN2C(=O)C(CCCC[NH2+]C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCNC(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(Cc2cccnc2)NC(=O)C(Cc2ccc(Cl)cc2)NC(=O)C1Cc1ccc2ccccc2c1 to have a lower QED value.,CC(=O)c1ccc(CC2NC(=O)C(Cc3ccc4ccccc4c3)N(C(C)=O)C(=O)C(C)NC(=O)C3CCCN3C(=O)C(CCCC[NH2+]C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCNC(N)=O)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CO)NC(=O)C(Cc3cccnc3)NC2=O)cc1
AtomNum,"There is a molecule consisting of 31 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCC(=O)NC(C)c2ccccc2)cc1
BondNum,"There is a molecule composed of 7 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2CO)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 amide groups, 1 halo group, and 1 sulfone group.",CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)cc1
AddComponent,Modify the molecule CCC(C)C(NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CCC(N)=O)C(=O)[O-] by adding a benzene ring.,CCC(C)C(NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(CC(C[NH+]=C(N)N)c1ccccc1)C(=O)NC(CCC(N)=O)C(=O)[O-]
SubComponent,Substitute a halo in the molecule FC(F)(F)c1cc(-c2ccc(C[NH2+]CC3CCCO3)o2)ccc1Cl with a nitrile.,N#CC(F)(F)c1cc(-c2ccc(C[NH2+]CC3CCCO3)o2)ccc1Cl
DelComponent,Please remove a CCCn1ncc(Cl)c1C(CSCC)NN from the molecule amine.,CCCn1ncc(Cl)c1C(N)CSCC
LogP,Please optimize the molecule CCc1oc2ccccc2c1CN(C)C(=O)Nc1cc(OC)ccc1OC(F)F to have a lower LogP value.,CCc1oc2ccccc2c1CN(C)C(=O)Nc1cc(OC)ccc1OCF
MR,Modify the molecule CCC[NH+]1CCOC(C(Cc2ccc(Cl)c(Cl)c2)[NH2+]C)C1 to have a lower MR value.,CCC[NH+]1CCOC(C(Cc2cccc(Cl)c2)[NH2+]C)C1
QED,Please optimize the molecule CCOC(=O)C1C(CC)C=CC2C1C(=O)N(CCCO)C2C(=O)Nc1ccc(Cl)cc1 to have a higher QED value.,CCCN1C(=O)C2C(C=CC(CC)C2C(=O)OCC)C1C(=O)Nc1ccc(Cl)cc1
AtomNum,"The molecule consists of 25 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1ccc(C[NH+]2CCCC(Oc3cc(F)c(C(=O)NS(C)(=O)=O)cc3C3CC3)C2)cc1C
BondNum,"Please generate a molecule consisting 26 single bonds, 5 double bonds, 12 rotatable bonds, and 12 aromatic bonds.",CC(NP(O)(=S)OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(O)C1OC(=O)C(C)C)=C(Oc1ccccc1)OC(C)C
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",C[NH+](C)CC(O)C[NH2+]Cc1cccc(F)c1
AddComponent,Modify the molecule Fc1cccc2c1C1(CC1)C1(c3cnc[nH]3)CC21 by adding a hydroxyl.,Oc1cc(F)c2c(c1)C1CC1(c1cnc[nH]1)C21CC1
SubComponent,Substitute a halo in the molecule COc1ccc(Br)cc1NC(C)c1cc(C)cc(C)c1 with a nitrile.,COc1ccc(C#N)cc1NC(C)c1cc(C)cc(C)c1
DelComponent,Remove a COCc1ccccc1-c1nc(C)cc(NN)n1 from the molecule benzene ring.,COCc1nc(C)cc(NN)n1
LogP,Please modify the molecule CC(CNc1nc(-c2ccccc2Cl)cs1)S(C)=O to decrease its LogP value.,CC(CNc1nc(-c2cc(O)ccc2Cl)cs1)S(C)=O
MR,Please modify the molecule Cc1ccc(CO)c(=O)n1C1CCCCC1 to increase its MR value.,Cc1ccc(CNO)c(=O)n1C1CCCCC1
QED,Please optimize the molecule CSCCC(NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2nc(C(C)C)ns2)CC1 to have a higher QED value.,CSCC(NC(=O)OC(C)(C)C)C1CCN(c2nc(C(C)C)ns2)CC1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",COc1ccc(-c2nc(NC(C)=O)c3c(=O)oc4ccc(Br)cc4c3n2)cc1
BondNum,"Please generate a molecule composed of 19 single bonds, 4 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",Cc1cc(C(=O)NC2CCN(C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)CC2)no1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, and 2 halo groups.",C[NH+](C)C(CNC(=O)c1cccc(Cl)c1)c1ccccc1Cl
AddComponent,Add a hydroxyl to the molecule COC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(F)cc1.,COC(=O)c1c(NC(=O)C2CC2)sc(CO)c1-c1ccc(F)cc1
SubComponent,Modify the molecule halo by substituting a C[NH2+]CCCc1cnc(C(C)(C)F)o1 with a nitrile.,C[NH2+]CCCc1cnc(C(C)(C)C#N)o1
DelComponent,Remove a hydroxyl from the molecule OC1CCC2CN(c3ccc(C[NH2+]C4CC4)c(Cl)c3)CC12.,Clc1cc(N2CC3CCCC3C2)ccc1C[NH2+]C1CC1
LogP,Modify the molecule Cc1ccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)N4CCCCC4)c3C)CC2)cc1NC(=O)C(C)C to have a higher LogP value.,Cc1ccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccC4CCCCc34C)CC2)cc1NC(=O)C(C)C
MR,Please optimize the molecule CC1(C)OB(c2ccc(N3CCN(C=[NH2+])C(=[NH2+])C3)cc2)OC1(C)C to have a lower MR value.,CC1(C)OB(N2CCN(C=[NH2+])C(=[NH2+])C2)OC1(C)C
QED,Modify the molecule C=C(C)c1cc(Cn2c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2=O)cc(C(=C)C)c1O to have a lower QED value.,C=C(C)c1cc(Cn2c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n(Cc3cc(C(C)(C)C)c(S)c(C(C)(C)C)c3)c2=O)cc(C(=C)C)c1O
AtomNum,"There is a molecule with 23 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CC(NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1
BondNum,"There is a molecule consisting of 13 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1
FunctionalGroup,"Please generate a molecule consisting 1 ester group, and 1 amide group.",Cc1ccc2c(CC(=O)OCC(=O)NC(C)(C)CC(C)(C)C)coc2c1
AddComponent,Modify the molecule CCCNC(=O)Cn1cccc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 by adding a aldehyde.,CCCNC(=O)Cn1cccc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1CC=O
SubComponent,Modify the molecule [NH3+]C1N=C(c2ccccc2)c2ccc(Cl)cc2NC1=O by substituting a halo with a aldehyde.,CC(=O)c1ccc2c(c1)NC(=O)C([NH3+])N=C2c1ccccc1
DelComponent,Modify the molecule CC(=O)OC(C)C1C(=O)NC1C=Cc1ccccc1 by removing a amide.,CC(=O)OC(C)CC=Cc1ccccc1
LogP,Optimize the molecule C=C[NH+](C)C(Cc1ccccc1)C(O)C(O)C(O)C(O)CO to have a lower LogP value.,C=C[NH+](C)C(Cc1ccccc1)C(NO)C(O)C(O)C(O)CO
MR,Modify the molecule Cc1c(-c2ccc(Cl)cc2)c(C(=O)N(C)CC(C)(C)C)n(Cc2ccccc2)c1C(F)F to increase its MR value.,Cc1c(-c2ccc(Cl)cc2)c(C(=O)N(CC(=O)O)CC(C)(C)C)n(Cc2ccccc2)c1C(F)F
QED,Please modify the molecule COc1cc(-c2nn(-c3ccc(C)cc3)c3c2CCCCN3)cc(OC)c1OC to increase its QED value.,COc1cc(-c2nn(C)c3c2CCCCN3)cc(OC)c1OC
AtomNum,"The molecule consists of 23 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",O=C(NC(CO)C(=O)[O-])c1ccc2[nH]c3c(c2c1)CCN(C(=O)Cc1ccccc1)C3
BondNum,"The molecule is composed of 6 single bonds, 1 triple bond, 2 rotatable bonds, and 6 aromatic bonds.",COc1c(C)cc(CC#N)cc1Br
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 hydroxyl group.",CCC(CCO)NC(=O)NCCOc1ccccc1
AddComponent,Please add a hydroxyl to the molecule COc1cc(C(=O)N2CCN(S(=O)(=O)C3CCS(=O)(=O)C3)CC2)ccc1OCCC(C)C.,COc1cc(C(=O)N2CCN(S(=O)(=O)C3CCS(=O)(=O)C3)CC2)ccc1OCC(O)C(C)C
SubComponent,Substitute a hydroxyl in the molecule CN(C)C1(C[NH2+]C2CC(O)C2(C)C)CCC1 with a nitrile.,CN(C)C1(C[NH2+]C2CC(C#N)C2(C)C)CCC1
DelComponent,Modify the molecule amide by removing a CCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1.,CCc1ccc(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
LogP,Please optimize the molecule O=C(Nc1cccnc1Cl)c1cc2c(=O)oc3ccccc3c2s1 to have a lower LogP value.,O=C(Nc1cccnc1O)c1cc2c(=O)oc3ccccc3c2s1
MR,Please optimize the molecule Cc1nsc(NCCC(C)c2ccccc2)n1 to have a lower MR value.,Cc1nsc(CCC(C)c2ccccc2)n1
QED,Modify the molecule CCc1cc(OC(F)(F)F)ccc1-c1cn(CCC[NH3+])c2ccc(CC3CC[NH+](Cc4cccc(OC)c4)CC3)cc12 to decrease its QED value.,CC(=O)C(F)(F)Oc1ccc(-c2cn(CCC[NH3+])c3ccc(CC4CC[NH+](Cc5cccc(OC)c5)CC4)cc23)c(CC)c1
AtomNum,"The molecule consists of 16 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CN(Cc1ccc(C=CC(=O)[O-])cc1)C(=O)C1CCCS1
BondNum,"There is a molecule consisting of 23 single bonds, 5 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCC1SC2=[NH+]C(C)=C(C(=O)OCC(C)C)C(c3ccc(OC(C)=O)c(OC)c3)N2C1=O
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 2 amine groups, and 1 nitro group.",COc1ccccc1OCc1cccc(C(=O)O[NH+]=C(N)c2ccc([N+](=O)[O-])cc2)c1
AddComponent,Please add a hydroxyl to the molecule CC(O)Cc1cc(C[NH3+])c(CC(C)O)c(C[NH3+])c1.,CC(O)Cc1c(C[NH3+])cc(CC(O)CO)cc1C[NH3+]
SubComponent,Modify the molecule hydroxyl by substituting a CC#CC#CC#CC#CC#CC#CC#CC(=O)OCCc1ccc(O)c(OC(=O)[O-])c1 with a carboxyl.,CC#CC#CC#CC#CC#CC#CC#CC(=O)OCCc1ccc(C(=O)[OH])c(OC(=O)[O-])c1
DelComponent,Please remove a benzene ring from the molecule CC(C)(C)c1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)N3CCCC3)o2)n1.,CC(C)(C)c1cc(N2CCN(F)CC2)nc(SCc2ccc(C(=O)N3CCCC3)o2)n1
LogP,Optimize the molecule CC1C[NH+]2CCCC2CN1C(=O)c1cn(C)nc1C1CC1 to have a lower LogP value.,CC1C[NH+]2C(O)CCC2CN1C(=O)c1cn(C)nc1C1CC1
MR,Please optimize the molecule COc1ccc(Br)cc1C1(COCc2ccccc2)CS(=O)(=O)N(C)C(NC(=O)OC(C)(C)C)=N1 to have a higher MR value.,COc1ccc(Br)cc1C1(COC(S)c2ccccc2)CS(=O)(=O)N(C)C(NC(=O)OC(C)(C)C)=N1
QED,Please optimize the molecule O=C(CCCl)NC1CCS(=O)CC1 to have a lower QED value.,O=C(CCCl)NC1CCS(=O)CC1C(=O)O
AtomNum,"Please generate a molecule composed of 9 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC(C(=O)O)[n+]1cc(O)ccc1CO
BondNum,"There is a molecule with 55 single bonds, 4 double bonds, 35 rotatable bonds, and 36 aromatic bonds.",CCCCCCCCC(C)COc1ccc(N2C(=O)c3cc(Cl)c4c5c(Cl)cc6c7c(cc(Cl)c(c8c(Cl)cc(c3c48)C2=O)c75)C(=O)N(c2ccc(OCC(C)CCCCCCCC)c(OCC(C)CCCCCCCC)c2)C6=O)cc1OCC(C)C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, and 2 sulfide groups.",COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(C)c3)c(=O)n2C1c1cccs1
AddComponent,Modify the molecule Cn1cc(C([NH3+])c2ccccc2C(C)(C)C)cn1 by adding a hydroxyl.,Cn1cc(C([NH3+])c2cc(O)ccc2C(C)(C)C)cn1
SubComponent,Modify the molecule O=C(NC1CCC(Cl)CC1)c1cccc(Br)c1F by substituting a halo with a aldehyde.,CC(=O)C1CCC(NC(=O)c2cccc(Br)c2F)CC1
DelComponent,Modify the molecule hydroxyl by removing a O=c1oc2c(c(O)c1[S+]1CCCC1)c(=O)n1c3c(cccc23)CCC1.,O=c1oc2c(cc1[S+]1CCCC1)c(=O)n1c3c(cccc23)CCC1
LogP,Please optimize the molecule CC(C)(C)c1nsc(NC(=O)N2CCCS(=O)(=O)CC2)n1 to have a lower LogP value.,CC(C)(C)c1nsc(NC(=O)N2CCC(C(=O)O)S(=O)(=O)CC2)n1
MR,Optimize the molecule CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(B(O)O)c(B(O)O)c21 to have a lower MR value.,CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(B(O)O)c(BO)c21
QED,Modify the molecule CC[NH2+]C(C)C(C)(O)C1CCCCC1 to have a lower QED value.,CC[NH2+]C(C)C(C)(NO)C1CCCCC1
AtomNum,"The molecule consists of 18 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 chlorine atom, and 1 bromine atom.",COc1cc(Br)c(C=O)cc1OCc1cc2ccccc2nc1Cl
BondNum,"There is a molecule composed of 16 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCC1(O)CCN(C(=O)c2cccc(OCC(N)=O)c2)CC1O
FunctionalGroup,The molecule is composed of and 5 amide groups.,CC(C)CC([NH3+])C(=O)NC(CC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCC(=O)[O-])C(=O)[O-]
AddComponent,Please add a benzene ring to the molecule CC1COc2c(Cl)cccc2C1[NH3+].,CC1COc2c(Cl)cccc2C1([NH3+])c1ccccc1
SubComponent,Please substitute a C=CCCCCCC([NH3+])c1ccc(F)c2ccccc12 in the molecule halo with a aldehyde.,CC(=O)c1ccc(C([NH3+])CCCCCC=C)c2ccccc12
DelComponent,Please remove a Nc1cc(-c2ccsc2)nn1-c1ccc(CC(=O)[O-])cc1 from the molecule benzene ring.,Nc1cc(-c2ccsc2)nn1CC(=O)[O-]
LogP,Modify the molecule Cc1ccc(C#N)cc1NC(C)(C)C(=O)[O-] to have a lower LogP value.,CN(C#N)C(C)(C)C(=O)[O-]
MR,Modify the molecule O=c1ccc2c(O)c(-c3ccccc3Cl)coc-2c1C[NH+]1CCCCCC1 to decrease its MR value.,O=c1ccc2c(O)c(-c3ccccc3)coc-2c1C[NH+]1CCCCCC1
QED,Modify the molecule COc1ccc(OCC(=O)NCCSCc2ccc(C)cc2)cc1 to increase its QED value.,CCSCCNC(=O)COc1ccc(OC)cc1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 3 fluorine atoms.",COc1c(C[NH2+]CCOc2ccc(C(F)(F)F)cc2)c(C)nn1C
BondNum,"Please generate a molecule composed of 14 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",CCc1nn(C)c(NCC2(CC)CCCC2)c1N
FunctionalGroup,The molecule is composed of and 2 benzene ring groups.,CC([NH3+])Cc1ccc(-c2ccc(N(C)C)cc2)cc1
AddComponent,Modify the molecule C=CCOC(=O)N1CC(C2=C(C(=O)[O-])N3C(=O)C(C(C)O[Si](C)(C)C(C)(C)C)C3C2)CC1CO[Si](C)(C)C(C)(C)C by adding a benzene ring.,C=CCOC(=O)N1CC(C2=C(C(=O)[O-])N3C(=O)C(C(C)O[Si](C)(C)C(C)(C)C)C3C2)CC1CO[Si](C)(Cc1ccccc1)C(C)(C)C
SubComponent,Please substitute a halo in the molecule COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)c1 with a carboxyl.,COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(C(=O)[OH])cc3)n2C)c1
DelComponent,Please remove a benzene ring from the molecule CCc1cc(Cc2ccc(N)cc2)ccc1CCCCCCCCCCCCCCCCc1ccc(Cc2ccc(N)cc2)cc1CC.,CCc1cc(CN)ccc1CCCCCCCCCCCCCCCCc1ccc(Cc2ccc(N)cc2)cc1CC
LogP,Modify the molecule CCC1CCC[NH+]1Cc1sc(N)nc1-c1cc(C)cc(C(F)(F)F)c1 to decrease its LogP value.,CCC1CCC[NH+]1Cc1sc(N)nc1-c1cc(C)cc(C(F)F)c1
MR,Modify the molecule COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 to increase its MR value.,CC(=O)c1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)cc1
QED,Modify the molecule O=C([O-])CCC1CC[NH+](Cc2ccc(F)cc2)C1 to decrease its QED value.,N#Cc1ccc(C[NH+]2CCC(CCC(=O)[O-])C2)cc1
AtomNum,"The molecule contains 22 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1ccccc1Cl
BondNum,"The molecule contains 16 single bonds, 2 double bonds, 2 triple bonds, 8 rotatable bonds, and 22 aromatic bonds.",CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CCC2)cc1C
FunctionalGroup,The molecule consists of and 1 hydroxyl group.,COc1c(C)cnc(C[NH+]2CCC(OCCO)CC2)c1C
AddComponent,Modify the molecule Cc1ccc(OC(C)C(=O)Nc2ccc3c(c2)CC(=O)N3)c(Br)c1 by adding a hydroxyl.,Cc1ccc(OC(C)C(=O)Nc2ccc3c(c2)CC(=O)N3)c(Br)c1O
SubComponent,Substitute a hydroxyl in the molecule CC(C)CCCC(C)[NH2+]Cc1ccc(O)c(F)c1 with a carboxyl.,CC(C)CCCC(C)[NH2+]Cc1ccc(C(=O)[OH])c(F)c1
DelComponent,Please remove a CCOC1CC([NH2+]Cc2ccc(-c3ccccc3)s2)C1 from the molecule benzene ring.,CCOC1CC([NH2+]Cc2cccs2)C1
LogP,Optimize the molecule CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc21 to have a lower LogP value.,CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc21
MR,Please optimize the molecule Cc1n[nH]c(C)c1S(=O)(=O)N(CCC#N)Cc1ccco1 to have a lower MR value.,CCN(Cc1ccco1)S(=O)(=O)c1c(C)n[nH]c1C
QED,Optimize the molecule Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(NC(=O)c3cccc(F)c3)c(C)c2)CC1 to have a higher QED value.,Cc1cc(NC(=O)C2CC[NH+](CC(=O)N(C)C(=O)Nc3ccc(F)cc3F)CC2)ccc1NC(=O)c1cccc(F)c1
AtomNum,"Please generate a molecule with 23 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 4 fluorine atoms.",CC1(C)CC(=O)c2c(C(F)(F)F)cn(-c3cc(F)c(C(N)=O)c(NC4CCCC4)c3)c2C1
BondNum,"There is a molecule composed of 7 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(CCc2ccccc2OC)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 amine group, 1 halo group, and 1 sulfone group.",CN(CC1CCC[NH+]1C)S(=O)(=O)c1ccc(Br)cc1N
AddComponent,Add a hydroxyl to the molecule COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2CC2(C(=O)N3CC4(C)C[NH+](C)CC(C)(C3)C4O)CC2)cc1.,COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2CC2(C(=O)N3CC4(C)C[NH+](C)CC(CO)(C3)C4O)CC2)cc1
SubComponent,Modify the molecule nitrile by substituting a COc1ccc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c(Cc2ccccc2F)c1 with a carboxyl.,COc1ccc(C=C(C(=O)[OH])C(=O)Nc2ccc(C)c(C)c2)c(Cc2ccccc2F)c1
DelComponent,Modify the molecule benzene ring by removing a c1cc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CC[NH2+]CC5)cc4n3)cc2)ccn1.,c1cc(Nc2ncc3cc(-c4nccs4)c(OC4CC[NH2+]CC4)cc3n2)ccn1
LogP,Optimize the molecule CCCN(C(=O)c1ccccc1NC(=O)c1cccc(C(=O)[O-])c1)C(C)C to have a lower LogP value.,CCCN(C(=O)NC(=O)c1cccc(C(=O)[O-])c1)C(C)C
MR,Please modify the molecule C[NH+]1CC(=O)N(c2ccsc2)CC12CCN(S(=O)(=O)c1ccccc1F)C2 to increase its MR value.,C[NH+]1CC(=O)N(c2ccsc2)CC12CCN(S(=O)(=O)c1ccccc1C(=O)[OH])C2
QED,Modify the molecule CC(CCO)NC(=O)C1SCCc2sccc21 to decrease its QED value.,CC(CCO)NC(=O)C1SCCc2scc(C(=O)O)c21
AtomNum,"There is a molecule with 11 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)N(CCO)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1
BondNum,"The molecule has 14 single bonds, 4 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",COc1ccc(C(=O)OCC(=O)c2cc(C)n(C(C)C)c2C)cc1S(N)(=O)=O
FunctionalGroup,"The molecule has 1 amine group, and 1 sulfide group.",CC(C)c1nsc(NC2CCOC3(CCCCC3)C2)n1
AddComponent,Modify the molecule C=CC=C(C)C[NH+]1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1 by adding a benzene ring.,CC(=CC=Cc1ccccc1)C[NH+]1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
SubComponent,Modify the molecule C=CC[NH+]1CN=C2SCC(O)(c3ccc(Br)cc3)N2C1 by substituting a halo with a thiol.,C=CC[NH+]1CN=C2SCC(O)(c3ccc(S)cc3)N2C1
DelComponent,Please remove a CCc1cccc2c1OCC([NH+]1CCC(C)CC1)C2O from the molecule hydroxyl.,CCc1cccc2c1OCC([NH+]1CCC(C)CC1)C2
LogP,Modify the molecule Cc1ccc2nc(C3(NC(=O)N4CCC([NH3+])C4)CC[NH2+]C3)ccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2 to have a lower LogP value.,Cc1ccc2nc(C3(NC(=O)N4CCC([NH3+])C4)CC[NH2+]C3)ccc2c1C12CC3CC(CC(C3)C1)C2
MR,Modify the molecule Nc1ccccc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)Cc3ccccc3)C2SC1 to decrease its MR value.,Nc1ccccc1SCC1=C(C(=O)[O-])N(C(=O)Cc2ccccc2)CSC1
QED,Please modify the molecule CC1=C[NH+]=C(C(=O)NCc2ccc3[nH]c(C(F)(F)F)cc3c2)N(C)C1 to decrease its QED value.,CC1=C[NH+]=C(C(=O)NCc2ccc3[nH]c(C(F)(F)NO)cc3c2)N(C)C1
AtomNum,"There is a molecule composed of 22 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 chlorine atom.",O=C(Cc1ccc(Cl)cc1)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1
BondNum,"The molecule has 17 single bonds, 4 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1[N+](=O)[O-])C(=O)[O-]
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",O=C(C1COc2ccccc2O1)N1CC(n2cc(-c3ccccc3)nn2)C1
AddComponent,Please add a benzene ring to the molecule COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1CSc1nc(C)cc(C(F)F)n1.,COc1cc(-c2ccccc2)c(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1CSc1nc(C)cc(C(F)F)n1
SubComponent,Please substitute a Bc1ccc2c(c1)C1(c3cc(B4OCCO4)ccc3-2)c2cc(C(C)(CC)CCCCCC)ccc2-c2ccc(C(C)(CCCCCC)C(C)PCCO)cc21 in the molecule hydroxyl with a aldehyde.,Bc1ccc2c(c1)C1(c3cc(B4OCCO4)ccc3-2)c2cc(C(C)(CC)CCCCCC)ccc2-c2ccc(C(C)(CCCCCC)C(C)PCCC(C)=O)cc21
DelComponent,Please remove a CC(C)N(C(=O)C[NH+]1CCC2(CC[NH2+]C2)C1)C(C)C from the molecule amide.,CC(C)C(C)(C)[NH+]1CCC2(CC[NH2+]C2)C1
LogP,Please modify the molecule CC1CN(C(C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2OC1CN(C)S(=O)(=O)c1ccc(F)cc1 to increase its LogP value.,CC1CN(C(C)CCl)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2OC1CN(C)S(=O)(=O)c1ccc(F)cc1
MR,Please modify the molecule [NH3+]Cc1nn2c(c1-c1ccc3c(c1)CCC3)CCCC2 to increase its MR value.,[NH3+]Cc1nn2c(c1-c1ccc3c(c1)CCC3)CCC(c1ccccc1)C2
QED,Please optimize the molecule FC(F)(F)c1cc(C2CC2)n(-c2ccc3c(c2)CC([NH+]2CCOCC2)C3)n1 to have a higher QED value.,FC(F)c1cc(C2CC2)n(-c2ccc3c(c2)CC([NH+]2CCOCC2)C3)n1
AtomNum,"Please generate a molecule composed of 8 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC1=CCn2nc(C)cc2N1[O-]
BondNum,"Please generate a molecule consisting 22 single bonds, 4 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",C=CC(=O)Nc1cccc(N2C3=[NH+]CCN3C(=O)c3cnc(Nc4ccc(OCC[NH+](C)C)cc4OC)nc32)c1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 ketone group, and 2 halo groups.",O=C(C[NH2+]CC(c1ccc(Cl)cc1)N1CCOCC1)c1ccc(Br)cc1
AddComponent,Modify the molecule CCCNC(=O)Cn1c(-c2nnc(CC(C)C)o2)cc2ccccc21 by adding a nitrile.,CCCNC(=O)Cn1c(-c2nnc(C(C#N)C(C)C)o2)cc2ccccc21
SubComponent,Modify the molecule [NH3+]Cc1cncc(-c2ccccc2F)c1 by substituting a halo with a aldehyde.,CC(=O)c1ccccc1-c1cncc(C[NH3+])c1
DelComponent,Please remove a O=S(=O)(c1ccc(F)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 from the molecule halo.,O=S(=O)(c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1
LogP,Please modify the molecule CCC1CCC([NH2+]C(C)c2ccc(C(C)(C)C)cc2)CC1 to increase its LogP value.,CCC1CCC([NH2+]C(C)c2ccc(C(C)(C)Cc3ccccc3)cc2)CC1
MR,Please optimize the molecule N#CCc1c(C(=O)[O-])nn(-c2ncccc2Cl)c1-c1ccc(Cl)cc1 to have a higher MR value.,O=C([OH])Cc1c(C(=O)[O-])nn(-c2ncccc2Cl)c1-c1ccc(Cl)cc1
QED,Please modify the molecule C1=CC(C=Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)C=C1 to decrease its QED value.,C1=CC(C=Nc2ccc(N(c3ccccc3)c3ccccc3)cc2)C=C1c1ccccc1
AtomNum,"The molecule consists of 15 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",NC(=O)c1cccc(NC(=O)N2CC3CCCCC3C2)n1
BondNum,"Please generate a molecule composed of 7 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 20 aromatic bonds.",COc1cc2c(cc1NC=C(C#N)c1nc(C)cs1)oc1ccccc12
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, and 1 nitrile group.",Cc1cc(NCCc2ccccn2)ccc1C#N
AddComponent,Add a benzene ring to the molecule C[NH2+]C(C)(C)CCC1C2CC3CC(C2)CC1C3.,C[NH2+]C(C)(C)CCC1C2CC3CC1CC(C2)C3c1ccccc1
SubComponent,Please substitute a halo in the molecule O=C([O-])Cc1cc(F)c(C(F)F)nc1I with a hydroxyl.,O=C([O-])Cc1cc(O)c(C(F)F)nc1I
DelComponent,Please remove a hydroxyl from the molecule CC(C)(O)C[NH+](CCCCCCC1=C(c2cccc(O)c2)CCCc2cc(O)ccc21)CCCS(=O)(=O)CCCC(F)(F)C(F)(F)F.,CC(C)(O)C[NH+](CCCCCCC1=C(c2ccccc2)CCCc2cc(O)ccc21)CCCS(=O)(=O)CCCC(F)(F)C(F)(F)F
LogP,Optimize the molecule COc1cc(C)c(C([NH3+])C(C)O)cc1Cl to have a lower LogP value.,COc1cc(C)c(C([NH3+])C(C)O)cc1O
MR,Modify the molecule Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cnc[nH]2)n1 to have a higher MR value.,Cc1cc(C(F)(F)S)nc(CCNC(=O)c2cnc[nH]2)n1
QED,Modify the molecule CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3nc(OCC(F)F)c(C(=O)CCCC4CCC(C(F)(F)F)CC4)cc3[nH]2)c1Cl to decrease its QED value.,CC(C)(C)C(=O)NCc1ccc(NO)c(Nc2nc3nc(OCC(F)F)c(C(=O)CCCC4CCC(C(F)(F)F)CC4)cc3[nH]2)c1Cl
AtomNum,"There is a molecule with 26 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",Cc1cc(C(=O)OC2(C(N)=O)CCC(CC[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)on1
BondNum,"The molecule consists of 19 single bonds, and 3 rotatable bonds.",COC1(C[NH+]2CCCN3CCCC3C2)CCC1
FunctionalGroup,The molecule has and 1 ester group.,CCOC(=O)CN(C)c1nccc(OCC)n1
AddComponent,Modify the molecule CCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCCCCC1 by adding a amine.,CCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCCCCC1N
SubComponent,Please substitute a halo in the molecule CCc1cc(C=O)cc(Cl)c1OC with a nitrile.,CCc1cc(C=O)cc(C#N)c1OC
DelComponent,Modify the molecule amine by removing a CCCNS(=O)(=O)N1CCC(C[NH2+]C)CC1.,CCCS(=O)(=O)N1CCC(C[NH2+]C)CC1
LogP,Please modify the molecule Cc1ccc2c(c1)NC1(CCN(C(=O)c3ccccc3F)CC1)c1cccn1-2 to increase its LogP value.,Cc1ccc2c(c1)NC1(CCN(C(=O)c3ccccc3S)CC1)c1cccn1-2
MR,Optimize the molecule CC1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2N(CCCc2ccccc2)C1=O to have a higher MR value.,CC1Oc2cc(-c3ccccc3)c(NC(=O)Cc3ccc(F)cc3)cc2N(CCCc2ccccc2)C1=O
QED,Modify the molecule Cc1cc(S(=O)(=O)NCc2cccnc2)ccc1Br to decrease its QED value.,CC(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1C
AtomNum,"The molecule contains 22 carbon atoms, and 1 nitrogen atom.",c1ccc(C(c2ccccc2)N2CCCc3ccccc32)cc1
BondNum,"The molecule has 17 single bonds, 1 double bond, 8 rotatable bonds, and 11 aromatic bonds.",COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1
FunctionalGroup,"There is a molecule composed of 1 ketone group, and 1 amide group.",CC1CC(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CCC1=O
AddComponent,Please add a carboxyl to the molecule CCOC(=O)CC(CCC(C)C)C1CCOC(C)(C)C1.,CCOC(=O)CC(CCC(C)(C)C(=O)O)C1CCOC(C)(C)C1
SubComponent,Substitute a nitrile in the molecule COC(=O)c1ccc(C#N)c(F)c1CBr with a nitro.,COC(=O)c1ccc(NO)c(F)c1CBr
DelComponent,Modify the molecule benzene ring by removing a CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(C)cc1.,CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC
LogP,Optimize the molecule CCCC(C)C(O)Cc1cc(F)cc(F)c1 to have a higher LogP value.,CCCC(C)C(C#N)Cc1cc(F)cc(F)c1
MR,Please optimize the molecule COc1ccc(S(=O)(=O)F)cc1C to have a higher MR value.,COc1ccc([SH](=O)=O)cc1C
QED,Modify the molecule Cc1cc(NC(=O)CN(C)c2ccc([N+](=O)[O-])c(C)c2)no1 to decrease its QED value.,Cc1cc(N(C)c2ccc([N+](=O)[O-])c(C)c2)no1
AtomNum,"The molecule has 32 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCC(C)CC(=O)N(C)C(CC(OC(C)=O)c1nc(C(=O)NC(Cc2ccccc2)CC(C)C(=O)OC)cs1)C(C)C
BondNum,"The molecule consists of 9 single bonds, 4 double bonds, 8 rotatable bonds, and 16 aromatic bonds.",C=CCSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)s1
FunctionalGroup,"The molecule has 3 benzene ring groups, 3 amide groups, and 2 halo groups.",COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(C(=O)Nc4ccc(NC(=O)c5ccccc5C)c(C)c4)CC3)c2)c(F)c1.,Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(c3ccccc3)[NH+]3CCC(C(=O)Nc4ccc(NC(=O)c5ccccc5C)c(C)c4)CC3)c2)c(F)c1
SubComponent,Substitute a hydroxyl in the molecule O=C(CC(O)C1CCCCC1)CS(=O)(=O)c1ccccc1 with a halo.,O=C(CC(F)C1CCCCC1)CS(=O)(=O)c1ccccc1
DelComponent,Modify the molecule nitrile by removing a CC1=CC(=CC2=CC(=C(C)C#N)c3ccccc3O2)Oc2cc(N)ccc21.,CC=C1C=C(C=C2C=C(C)c3ccc(N)cc3O2)Oc2ccccc21
LogP,Modify the molecule COCCOc1ccc(Cl)cc1C(=O)NC1CCC(C(=O)[O-])C1 to increase its LogP value.,COCCOc1(C2CCC(C(=O)[O-])C2)ccc(Cl)c-1
MR,Please optimize the molecule CC(C)COc1ncc(-c2cn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)cc1Cl to have a lower MR value.,CC(C)COc1ncc(-c2cn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)cc1C#N
QED,Modify the molecule Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2c(C)cccc2C(=O)Nc2ccc(F)cc2F)CC1 to decrease its QED value.,Cc1cc(C(=O)Nc2ccc(NO)cc2F)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2c(C)cccc2C(=O)Nc2ccc(F)cc2F)CC1
AtomNum,"The molecule has 14 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COCC[NH2+]CC(C)(O)c1ccc(OC)cc1OC
BondNum,"There is a molecule with 6 single bonds, 1 double bond, 3 rotatable bonds, and 27 aromatic bonds.",Cc1ccc2oc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amine groups, and 3 halo groups.",CCNc1nc(NCc2cccc(Cl)c2)c(F)cc1F
AddComponent,Please add a benzene ring to the molecule C[NH2+]Cc1ccnc(-c2ccc(-c3c(C)cccc3C)cc2CO)c1.,C[NH2+]Cc1ccnc(-c2ccc(-c3c(C)cccc3C)cc2C(O)c2ccccc2)c1
SubComponent,Please substitute a halo in the molecule Nc1cc2cc(Cl)c(OC(F)F)cc2s1 with a aldehyde.,CC(=O)c1cc2cc(N)sc2cc1OC(F)F
DelComponent,Please remove a benzene ring from the molecule CC[NH2+]CC(O)COc1ccc(Br)cc1C(C)C.,CC[NH2+]CC(O)COC(C)(C)Br
LogP,Modify the molecule Cc1cc(C(O)CC[NH3+])cc2c1OCC2 to increase its LogP value.,Cc1cc(C(S)CC[NH3+])cc2c1OCC2
MR,Please modify the molecule CC#CCn1nc(C(C)(F)F)nc1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 to increase its MR value.,CC(=O)C(C)(F)c1nc(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n(CC#CC)n1
QED,Please modify the molecule Nc1ccc(SCc2ccc(C(=O)[O-])cn2)cc1 to decrease its QED value.,Nc1ccc(SCc2cc(N)c(C(=O)[O-])cn2)cc1
AtomNum,"There is a molecule with 20 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COCc1[nH+]cc(C)n1C1CCN(C(=O)C(C)Oc2ccccc2)CC1
BondNum,"There is a molecule with 23 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)N1CCC(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)CC1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 2 halo groups.",O=C1OCC(c2ccc(Cl)cc2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1
AddComponent,Please add a hydroxyl to the molecule O=C(Nc1ccc(OC2CCCCC2O)cc1)C1CCn2cc[nH+]c2C1.,O=C(Nc1ccc(OC2CCCCC2(O)O)cc1)C1CCn2cc[nH+]c2C1
SubComponent,Modify the molecule hydroxyl by substituting a COc1ccc([Si](C)(C)C2C(CCO)OC3(C(=O)N(c4ccccc4)c4ccc(NC(=O)C5CCC[NH2+]5)cc43)C2C)cc1 with a carboxyl.,COc1ccc([Si](C)(C)C2C(CCC(=O)[OH])OC3(C(=O)N(c4ccccc4)c4ccc(NC(=O)C5CCC[NH2+]5)cc43)C2C)cc1
DelComponent,Remove a CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](C)(C)O[Si](C)O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F from the molecule halo.,CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)[Si](C)(C)O[Si](C)O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F
LogP,Modify the molecule CC1=C2CC(C(C)(C)O)CCC2(C)C(OC=O)CC1 to have a higher LogP value.,CC1=C2CC(C(C)(C)C#N)CCC2(C)C(OC=O)CC1
MR,Modify the molecule COC(=O)c1cccnc1CC1OC(c2ccccc2)OC2C(CO)OC(c3ccccc3)OC12 to increase its MR value.,COC(=O)c1cccnc1CC1OC(c2ccccc2)OC2C(CC#N)OC(c3ccccc3)OC12
QED,Modify the molecule CC1(Cl)Oc2c(C(=O)[O-])cc(Cl)cc2N(CCCc2ccccc2)C1=O to increase its QED value.,CC1(Cl)Oc2c(C(=O)[O-])cccc2N(CCCc2ccccc2)C1=O
AtomNum,"The molecule consists of 15 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCn1cnnc1C[NH2+]Cc1ccc2c(c1)OCCCO2
BondNum,"The molecule has 14 single bonds, 2 double bonds, and 6 rotatable bonds.",C=C(CC)CC(=O)C1(OCC)CCOCC1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 ester group, 1 amide group, 3 amine groups, and 1 borane group.",COBNc1ccccc1NC(=O)C=CC(=O)OCc1cc(N)cc(N)c1
AddComponent,Modify the molecule Cc1cc(Cl)c(C=O)cc1Cl by adding a benzene ring.,Cc1cc(Cl)c(C(=O)c2ccccc2)cc1Cl
SubComponent,Modify the molecule halo by substituting a CS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 with a hydroxyl.,CS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1
DelComponent,Remove a COC(=O)c1c(Nc2ccccc2)sc(C(=O)c2ccc(Cl)cc2)c1CCC[NH3+] from the molecule benzene ring.,COC(=O)c1c(Nc2ccccc2)sc(C(=O)Cl)c1CCC[NH3+]
LogP,Please optimize the molecule Cn1ccc(NC(=O)C[NH+]2CCC(c3nncn3C)CC2)n1 to have a higher LogP value.,Cn1ccc([NH+]2CCC(c3nncn3C)CC2)n1
MR,Modify the molecule O=c1ccc2c(O)c(Oc3ccccc3-c3ccccc3)coc-2c1 to decrease its MR value.,O=c1ccc2cc(Oc3ccccc3-c3ccccc3)coc-2c1
QED,Optimize the molecule COc1ccc(CNc2nccc(NC3CCS(=O)(=O)C3)n2)cc1OC to have a higher QED value.,COc1ccc(Cc2nccc(NC3CCS(=O)(=O)C3)n2)cc1OC
AtomNum,"There is a molecule composed of 14 carbon atoms, 6 oxygen atoms, and 2 nitrogen atoms.",O=c1cc(C2CCCC2)n(C2OC(CO)C(O)C2O)c(=O)[nH]1
BondNum,"There is a molecule composed of 9 single bonds, 1 triple bond, 2 rotatable bonds, and 11 aromatic bonds.",N#Cc1ccc(N2CCCCC2c2cccnc2)o1
FunctionalGroup,"The molecule consists of 1 ester group, 1 halo group, and 1 sulfone group.",CC(OS(=O)(=O)[O-])C(=O)OCCCCCCCCCCF
AddComponent,Add a benzene ring to the molecule CCCCCCCCCCCCCCCCCC(=O)C(C)(C)OCCC(C)C.,CCCCCCCCCCCCCCCCCC(=O)C(C)(Cc1ccccc1)OCCC(C)C
SubComponent,Substitute a hydroxyl in the molecule CCOCc1c(C(=O)C=CC[NH+](C)C)c2cc(-c3cncc(C(O)C(=O)N(C)C)c3)cnc2n1COCC[Si](C)(C)C with a thiol.,CCOCc1c(C(=O)C=CC[NH+](C)C)c2cc(-c3cncc(C(S)C(=O)N(C)C)c3)cnc2n1COCC[Si](C)(C)C
DelComponent,Please remove a O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCCCC2=O)cc1 from the molecule benzene ring.,O=C1CCCCN1C(=O)Nc1nc2ccc(Cl)cc2s1
LogP,Optimize the molecule CCCC1(O)CN(c2nc(C(C)(C)C)ns2)C1 to have a lower LogP value.,CCCC1(O)CN(c2nc(C(C)(C)CN)ns2)C1
MR,Modify the molecule CC(C)C([NH3+])C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CO)C(=O)[O-] to have a lower MR value.,CC(C)([NH3+])C(CC(N)=O)C(=O)NC(CO)C(=O)NC(CO)C(=O)[O-]
QED,Modify the molecule CCCCN(CCCC)C(=S)Nc1nc(C)c(C)s1 to have a lower QED value.,CCCCN(CCCC)C(=S)c1nc(C)c(C)s1
AtomNum,"The molecule has 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC1CN(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CCO1
BondNum,"There is a molecule consisting of 26 single bonds, 2 double bonds, and 5 rotatable bonds.",CC1CN(C(=O)NCCNC(=O)CC2CCCCC2)CC2(CCOC2)O1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ketone group, 1 amide group, and 1 sulfide group.",COC1(C(=O)Cc2ccc3[nH]nc(-c4cncs4)c3c2)CC[NH+](CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1
AddComponent,Please add a benzene ring to the molecule COC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1.,COC(=O)C1CC[NH+](C(c2ccccc2)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1
SubComponent,Substitute a halo in the molecule CC(C)(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 with a hydroxyl.,CC(C)(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3O)c2)cc1
DelComponent,Remove a C[N+](C)(C)CC(=O)NN=Cc1cc(C=NNC(=O)C[N+](C)(C)C)nc(-c2ccccc2)n1 from the molecule benzene ring.,C[N+](C)(C)CC(=O)NN=Cc1cc(C=NNC(=O)C[N+](C)(C)C)ncn1
LogP,Optimize the molecule CCN(CC)C(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3c(C)cc(Br)cc3C)CC2)c1 to have a higher LogP value.,CCN(CC)C(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3c(C)cc(Br)cc3C)(c3ccccc3)CC2)c1
MR,Optimize the molecule CC(C)(C)OC(=O)N1CCC(F)C(O)(C(F)(F)F)CC1 to have a higher MR value.,CC(C)(C)OC(=O)N1CCC(O)(C(F)(F)F)C(F)C(O)C1
QED,Modify the molecule COCc1nc(C(=O)NC2(c3nc(C)cs3)CCC2)no1 to decrease its QED value.,COCc1nc(C(=O)NC2(c3nc(C)cs3)CCC2O)no1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",O=C(CCc1nc(-c2ccsc2)no1)Nc1cc2c(cc1Cl)OCCCO2
BondNum,"There is a molecule with 9 single bonds, 1 rotatable bond, and 50 aromatic bonds.",c1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2ccc(-c3ccc5oc6ccccc6c5c3)cc21)c1ccccc1-4
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 1 amide group, and 1 sulfone group.",COc1ccc(C=C(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2ccccc2)cc1
AddComponent,Modify the molecule CC[NH+](CC(=O)[O-])C1CC(NC(=O)c2ccc(N3CCNC3=O)cc2)C1 by adding a hydroxyl.,CC[NH+](CC(=O)[O-])C1CC(NC(=O)c2ccc(N3CCNC3=O)cc2)C1O
SubComponent,Modify the molecule Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cc(F)c(C)c([N+](=O)[O-])c3)CC2)c(C)s1 by substituting a halo with a thiol.,Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cc(S)c(C)c([N+](=O)[O-])c3)CC2)c(C)s1
DelComponent,Remove a NC(=NS(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)=N1 from the molecule halo.,NC(=NS(=O)(=O)c1ccccc1)N1CC(c2ccccc2)C(c2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)=N1
LogP,Modify the molecule Cc1ccc(C(O)(Cc2c(C)nn(C)c2C)c2ccc(C)cc2)cc1 to decrease its LogP value.,Cc1ccc(C(C)(O)Cc2c(C)nn(C)c2C)cc1
MR,Please optimize the molecule [C-]#[N+]C1(COS(=O)(=O)c2ccc(C)cc2)CCC(OCc2ccccc2)CC1 to have a lower MR value.,[C-]#[N+]C1(COS(=O)(=O)c2ccc(C)cc2)CCC(OC)CC1
QED,Please modify the molecule CC(C)CSc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(CC(F)(F)F)c1=O to increase its QED value.,CC(CN)CSc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(CC(F)(F)F)c1=O
AtomNum,"The molecule consists of 12 carbon atoms, 4 nitrogen atoms, 1 fluorine atom, and 1 iodine atom.",Cn1nncc1-c1cc(I)c2c(c1F)CC[NH2+]C2
BondNum,"The molecule has 20 single bonds, and 9 rotatable bonds.",CC(C)CNC([NH2+]CC(C)C)C(O)C[NH+]1CCCCC1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 aldehyde group, 2 amine groups, and 1 sulfone group.",CCC(C)Oc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1C=O
AddComponent,Add a amine to the molecule CCC(Nc1ccc2oc(C)nc2c1)c1ccco1.,Cc1nc2cc(NC(c3ccco3)C(C)N)ccc2o1
SubComponent,Modify the molecule halo by substituting a Nc1ccc(Br)c(NC(=O)c2ccc(F)cc2F)c1 with a carboxyl.,Nc1ccc(C(=O)[OH])c(NC(=O)c2ccc(F)cc2F)c1
DelComponent,Remove a halo from the molecule O=C(Cl)C1Oc2cccc(c2)O1.,O=CC1Oc2cccc(c2)O1
LogP,Please modify the molecule CC(=O)N1CCCN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)CCNC(=O)CC1c1ccccc1 to decrease its LogP value.,CC(=O)N1CCCN(C(=O)CN(C)S(C)(=O)=O)CCNC(=O)CC1c1ccccc1
MR,Optimize the molecule CC(C)C(C(=O)N1CC[NH2+]CC1)c1cccnc1 to have a higher MR value.,CC(CO)C(C(=O)N1CC[NH2+]CC1)c1cccnc1
QED,Modify the molecule C=C1C=CC(CCCOC)=CC1C to have a higher QED value.,C=C1C=CC(C(CCOC)c2ccccc2)=CC1C
AtomNum,"Please generate a molecule consisting 28 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 2 chlorine atoms.",N#CCc1c(C(=O)N2CCN(c3ccccc3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
BondNum,"Please generate a molecule consisting 14 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",O=C(Nc1ccccc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 hydroxyl groups, and 1 halo group.",OC(C[NH2+]C1CCCCC1O)c1cccc(Br)c1
AddComponent,Please add a benzene ring to the molecule CS(=O)(=O)CC(=O)NCC1(CCl)CC1.,CS(=O)(=O)CC(=O)NCC1(CCl)CC1c1ccccc1
SubComponent,Modify the molecule halo by substituting a COc1cc(C2(C[NH3+])CCCCC2)c(Cl)c2c1OCC2 with a carboxyl.,COc1cc(C2(C[NH3+])CCCCC2)c(C(=O)[OH])c2c1OCC2
DelComponent,Modify the molecule Cn1c(=NC(=O)CS(=O)(=O)Cc2ccccc2)sc2cccc(Br)c21 by removing a benzene ring.,Cn1c(=NC(=O)CS(C)(=O)=O)sc2cccc(Br)c21
LogP,Optimize the molecule NC(=O)c1cc2c([nH]c3ccc(Cl)cc32)s1 to have a lower LogP value.,NC(=O)c1cc2c([nH]c3ccc(S)cc32)s1
MR,Please modify the molecule CC(Oc1c(Cl)cc(Cl)cc1C(=O)[O-])C(=O)NC(C)(C)C to increase its MR value.,CC(Oc1c(Cl)cc(Cl)cc1C(=O)[O-])C(=O)NC(C)(C)Cc1ccccc1
QED,Modify the molecule Cc1cccc(CC(=O)N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)c1 to decrease its QED value.,Cc1cc(O)cc(CC(=O)N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)c1
AtomNum,"There is a molecule with 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",COc1ccc(-c2csc(NC(=O)c3ccc(CSC)cc3)n2)cc1
BondNum,"The molecule is composed of 6 single bonds, 1 double bond, 3 rotatable bonds, and 11 aromatic bonds.",Cc1nn(C)cc1Nc1nnccc1C(=O)[O-]
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, 2 amide groups, and 1 halo group.",CCCCCCCCCCCCN(C(C)=O)c1cccc2c(O)c(C(=O)Nc3cc(Cl)ccc3OC)ccc12
AddComponent,Please add a carboxyl to the molecule CC(C)(C)OC(=O)N1CCCC1C(O)F.,CC(C)(C)OC(=O)N1C(C(=O)O)CCC1C(O)F
SubComponent,Substitute a halo in the molecule COc1ccc2c(c1)c(CC(=O)NCCC[NH2+]CCC[NH3+])c(C)n2C(=O)c1ccc(Cl)cc1 with a thiol.,COc1ccc2c(c1)c(CC(=O)NCCC[NH2+]CCC[NH3+])c(C)n2C(=O)c1ccc(S)cc1
DelComponent,Please remove a amide from the molecule CCOC(=O)c1ccccc1NC(=O)CC(=O)NCc1ccccc1Cl.,CCOC(=O)c1ccccc1NC(=O)Cc1ccccc1Cl
LogP,Modify the molecule CCN(CCO)c1ccc(NC(C)c2cncs2)cc1 to have a lower LogP value.,CCN(CCNO)c1ccc(NC(C)c2cncs2)cc1
MR,Please modify the molecule CC(NC(=O)c1ccc(Br)cc1F)c1nnc2ccccn12 to decrease its MR value.,CC(NC(=O)c1ccc(C#N)cc1F)c1nnc2ccccn12
QED,Optimize the molecule O=C(NN=Cc1cccc2c(C[NH+]3CCCC3)cccc12)c1ccc(O)c(Cl)c1 to have a lower QED value.,CC(=O)c1cc(C(=O)NN=Cc2cccc3c(C[NH+]4CCCC4)cccc23)ccc1O
AtomNum,"The molecule is composed of 20 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",Cc1cc(C)c(S(=O)(=O)NCCNc2ccc(Nc3ccccn3)nn2)c(C)c1
BondNum,"The molecule has 10 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CCC(CC)N(CCCl)C(=O)c1ccc2ncccc2c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4cn(C)c5ccccc45)cc3[nH]2)cc1
AddComponent,Please add a hydroxyl to the molecule CC1CCCC[NH+]1CCCNC(=O)c1cn2c([nH+]1)CCC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2.,CC1CCCC[NH+]1CCCNC(=O)c1cn2c([nH+]1)CCC(O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2
SubComponent,Substitute a halo in the molecule CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccccc4I)c(OC)c3)c(=O)n2C1c1ccccc1 with a nitro.,CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccccc4NO)c(OC)c3)c(=O)n2C1c1ccccc1
DelComponent,Please remove a halo from the molecule CC1CC(C(Br)c2cccc3ccccc23)CO1.,CC1CC(Cc2cccc3ccccc23)CO1
LogP,Please optimize the molecule COCCC[NH2+]C(C)c1ccccc1[N+](=O)[O-] to have a lower LogP value.,COCCC[NH2+]C(C)c1ccccc1[SH]=O
MR,Optimize the molecule COc1ccc(CCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1C to have a lower MR value.,COCCCC(=O)N(C)Cc1nc(-c2cccc(C)c2)no1
QED,Please modify the molecule C=C([NH2+]C(CC1CCC(C2CCCC(Cl)C2)CC1)C(O)O)OC(C)(C)C to increase its QED value.,C=C([NH2+]C(CC1CCC(C2CCCC(Cl)C2)CC1)C(O)C(=O)[OH])OC(C)(C)C
AtomNum,"Please generate a molecule with 14 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COc1cccc(CN(C)C(=O)NCCCC(=O)[O-])c1
BondNum,"There is a molecule composed of 15 single bonds, 1 double bond, 3 rotatable bonds, and 23 aromatic bonds.",Cc1nc(-c2ccc(N3CCN(C(=O)C4c5ccccc5Oc5ccccc54)CC3)nc2)no1
FunctionalGroup,"There is a molecule consisting of 1 amine group, 2 thioether groups, and 1 sulfide group.",Cc1ccc(C(=O)[O-])c(NCC2CCSCC2)n1
AddComponent,Please add a benzene ring to the molecule CC(C(=O)N1CCCCO1)N1C(=O)c2ccc(Br)cc2C1=O.,O=C(C(Cc1ccccc1)N1C(=O)c2ccc(Br)cc2C1=O)N1CCCCO1
SubComponent,Substitute a CCCCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2C1c1ccc(O)cc1 in the molecule hydroxyl with a nitrile.,CCCCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2C1c1ccc(C#N)cc1
DelComponent,Remove a hydroxyl from the molecule COc1ccc(OC)c(C[NH2+]CC2(O)CCCC(C)C2)c1.,COc1ccc(OC)c(C[NH2+]CC2CCCC(C)C2)c1
LogP,Optimize the molecule COc1cccc(C(=O)NCC(=O)OCC(=O)C=C2N(C)c3ccccc3C2(C)C)c1 to have a lower LogP value.,COc1ccc(O)c(C(=O)NCC(=O)OCC(=O)C=C2N(C)c3ccccc3C2(C)C)c1
MR,Please modify the molecule CN(Cc1ccc2c(c1)OCO2)c1nccc(Oc2ccc(F)cc2)n1 to decrease its MR value.,CN(Cc1ccc2c(c1)OCO2)c1nccc(OF)n1
QED,Modify the molecule FC(F)(F)C1CCC2CCCC2N1 to have a higher QED value.,FC(F)(S)C1CCC2CCCC2N1
AtomNum,"There is a molecule consisting of 32 carbon atoms, 8 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",Cc1ccccc1C(=O)OCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccccc3)cc2)cn1
BondNum,"Please generate a molecule with 8 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(Nc2cc(C(=O)NCc3ccccc3)ncn2)c(Br)c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 ester group, 1 amide group, 1 thioether group, and 2 sulfide groups.",Cc1csc(SCc2ccccc2C(=O)OC(C)C(=O)NC(C)c2ccccc2)n1
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)c(F)c1.,Cc1ccc(C(=O)N2CC[NH+](C(C)Cc3ccccc3)CC2)c(F)c1
SubComponent,Modify the molecule halo by substituting a CNc1nc(Br)c(Cc2ccc3c(c2)OCO3)s1 with a thiol.,CNc1nc(S)c(Cc2ccc3c(c2)OCO3)s1
DelComponent,Please remove a CCCC[NH+](C)Cc1cc(Cl)ccc1N from the molecule amine.,CCCC[NH+](C)Cc1cccc(Cl)c1
LogP,Modify the molecule COc1cc2c(cc1OC)C(c1c(F)cccc1Cl)N(C(=O)c1ccc(SC(F)(F)F)cc1)CC2 to decrease its LogP value.,COc1cc2c(cc1OC)C(c1ccccc1Cl)N(C(=O)c1ccc(SC(F)(F)F)cc1)CC2
MR,Modify the molecule CCC[NH2+]C(c1cc2cccc(F)c2o1)C(CCC)OC to increase its MR value.,CCC[NH2+]C(c1cc2cccc(F)c2o1)C(OC)C(O)CC
QED,Please optimize the molecule COc1ccc(CSc2nnc(-c3ccncc3)n2C)cc1[N+](=O)[O-] to have a higher QED value.,COc1([O-])ccc(CSc2nnc(-c3ccncc3)n2C)c-1O
AtomNum,"There is a molecule with 14 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",Cc1cccc(CNc2cnn(CCO)c(=O)c2Br)c1
BondNum,"The molecule consists of 5 single bonds, 2 rotatable bonds, and 12 aromatic bonds.",Fc1ccccc1-c1ccc(Cl)nc1CBr
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 amide groups, and 2 halo groups.",COc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)cc1OC
AddComponent,Please add a carboxyl to the molecule COc1cccc(Nc2cc(-c3nc(N4CC[NH2+]CC4)c4c(C5CC5)cncc4n3)ccn2)c1F.,COc1cccc(Nc2cc(-c3nc(N4CC[NH2+]CC4)c4c(C5CC5)cncc4n3)c(C(=O)O)cn2)c1F
SubComponent,Please substitute a halo in the molecule CCc1cc(F)c2sc(SC)cc2c1 with a thiol.,CCc1cc(S)c2sc(SC)cc2c1
DelComponent,Remove a CN(CC1CCCCCC1=O)c1ccc(Br)cc1 from the molecule benzene ring.,CN(Br)CC1CCCCCC1=O
LogP,Please optimize the molecule COCC(O)CCNC(=O)CCc1ccc(C)c(Cl)c1 to have a lower LogP value.,COCC(O)CCNC(=O)CCc1ccc(C)c(NO)c1
MR,Please modify the molecule Nc1n[nH]c(-c2ccc(I)c(Cl)c2)c1-c1cccnc1 to decrease its MR value.,Nc1n[nH]c(-c2ccc(O)c(Cl)c2)c1-c1cccnc1
QED,Please optimize the molecule C=C1OB(c2ccc(C3(CN4Cc5ccc(F)cc5C4=O)NC(=O)N(COCC[Si](C)(C)C)C3=O)cc2)OC1(C)C to have a higher QED value.,C=C1OB(c2ccc(C(NC(=O)COCC[Si](C)(C)C)N3Cc4ccc(F)cc4C3=O)cc2)OC1(C)C
AtomNum,"There is a molecule composed of 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 fluorine atoms.",N#Cc1ccc(OCCCCCOc2ccc(C#N)c(F)c2)cc1F
BondNum,"There is a molecule consisting of 10 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CCC(=CCN(C)c1cccc(OC)c1)C(=O)[O-]
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, and 1 nitrile group.",N#Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1
AddComponent,Modify the molecule CCC(Sc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1ccccc1F by adding a benzene ring.,CCC(Sc1cc(NC(=O)c2cccs2)ccc1-c1ccccc1)C(=O)Nc1ccccc1F
SubComponent,Modify the molecule halo by substituting a COc1ccc(OC)c(C([O-])=C2C(=O)C(=O)N(c3ccc(Cl)c(Cl)c3)C2c2cccc(C)c2)c1 with a hydroxyl.,COc1ccc(OC)c(C([O-])=C2C(=O)C(=O)N(c3ccc(O)c(Cl)c3)C2c2cccc(C)c2)c1
DelComponent,Please remove a benzene ring from the molecule C=C(C)C[NH2+]C(C(=O)OC)c1ccccc1.,C=C(C)C[NH2+]CC(=O)OC
LogP,Modify the molecule Clc1ccccc1OCc1nnsc1Cl to have a lower LogP value.,Clc1snnc1COc1ccccc1
MR,Modify the molecule CSc1cc(C)ccc1CNC(=O)C1CCC(C(=O)[O-])C1 to increase its MR value.,CSc1cc(CO)ccc1CNC(=O)C1CCC(C(=O)[O-])C1
QED,Please modify the molecule O=C(CCl)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1 to increase its QED value.,N#CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1
AtomNum,"Please generate a molecule with 13 carbon atoms, 3 oxygen atoms, and 1 bromine atom.",COCc1ccc(CC(C)(C)C(=O)[O-])cc1Br
BondNum,"There is a molecule with 17 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)CC1NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O
FunctionalGroup,Please generate a molecule with and 5 halo groups.,CCCN(CC(F)(F)F)c1nccc(CCl)c1F
AddComponent,Modify the molecule CCOc1ccc(N2C(=O)C(=Cc3ccc(COc4ccc(Cl)c(Cl)c4)o3)NC2=S)cc1 by adding a benzene ring.,CC(Oc1ccc(N2C(=O)C(=Cc3ccc(COc4ccc(Cl)c(Cl)c4)o3)NC2=S)cc1)c1ccccc1
SubComponent,Substitute a Cc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4C)CC3)n2)cc1 in the molecule halo with a nitro.,Cc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4cc(NO)ccc4C)CC3)n2)cc1
DelComponent,Please remove a C=C(C)C(=O)OCCC(=O)N(C)CC(C)OC(=O)C(=C)C from the molecule amide.,C=C(C)C(=O)OCC(C)C(C)OC(=O)C(=C)C
LogP,Modify the molecule C=CCc1cc(C=C(C#N)c2ccccc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] to decrease its LogP value.,C=CCc1cc(C=C(NO)c2ccccc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
MR,Optimize the molecule Cc1nnc(-c2cc(C)n(-c3cccc(C(=O)NCc4cc(F)cc(F)c4)c3)n2)o1 to have a higher MR value.,Cc1nnc(-c2cc(C)n(-c3cccc(C(=O)NCc4cc(F)cc(NO)c4)c3)n2)o1
QED,Modify the molecule Cc1c(C[NH2+]CC(CC(C)O)c2ccccc2)cnn1C to have a lower QED value.,Cc1c(C[NH2+]CCCC(C)O)cnn1C
AtomNum,"The molecule contains 17 carbon atoms, 3 oxygen atoms, and 1 chlorine atom.",CC1(C)Cc2cccc(Oc3cccc(Cl)c3C=O)c2O1
BondNum,"The molecule consists of 15 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CN1CN(C(=O)c2cccc(NC(=O)NC3CC3)c2)CC1=O
FunctionalGroup,There is a molecule composed of and 1 hydroxyl group.,CC(O)N(C(N)=O)c1cccnc1
AddComponent,Modify the molecule COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OC[N+]1(C)CCCCC1 by adding a amine.,COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2c(N)c1OC[N+]1(C)CCCCC1
SubComponent,Modify the molecule N#Cc1c(C2CC2)cc(-c2ccccc2)c([N+](=O)[O-])c1N by substituting a nitrile with a aldehyde.,CC(=O)c1c(C2CC2)cc(-c2ccccc2)c([N+](=O)[O-])c1N
DelComponent,Modify the molecule halo by removing a CC(=O)c1ccc(-c2ccccc2C(F)(F)F)s1.,CC(=O)c1ccc(-c2ccccc2C(F)F)s1
LogP,Please modify the molecule Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c(C)c1 to decrease its LogP value.,Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(NO)c2)c(C)c1
MR,Modify the molecule Nc1n[nH]c(C2CCC(F)(F)CC2)c1-c1ccccc1Br to increase its MR value.,Nc1n[nH]c(C2CCC(F)(F)CC2)c1-c1c(S)cccc1Br
QED,Optimize the molecule CCCOCCOCc1cnc(Cl)s1 to have a higher QED value.,CCCOCCOCc1cnc(C(=O)[OH])s1
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COCC(NC(=O)C1CC=CCC1C(=O)[O-])C(C)C
BondNum,"The molecule has 11 single bonds, and 1 double bond.",O=C([O-])N1CC2CC1CC[NH2+]2
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, 1 amine group, and 4 halo groups.",Cc1nn(C)c2[nH+]cc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(NCC34CCC[NH+]3CCC4)c12
AddComponent,Please add a hydroxyl to the molecule CCN(Cc1ccccc1C)C(=O)Nc1cccnc1OC(C)C.,CCN(Cc1ccccc1C)C(=O)Nc1cccnc1OC(C)CO
SubComponent,Substitute a halo in the molecule Clc1nnc(Cl)c(Oc2cccc3cccnc23)n1 with a nitro.,ONc1nnc(Cl)c(Oc2cccc3cccnc23)n1
DelComponent,Modify the molecule amine by removing a C[NH2+]NC(N)=NCCCC([NH3+])C(=O)[O-].,C[NH2+]C(N)=NCCCC([NH3+])C(=O)[O-]
LogP,Optimize the molecule COc1ncc(-c2nc(-c3cccnc3)no2)c(C)n1 to have a higher LogP value.,Cc1nc(OCc2ccccc2)ncc1-c1nc(-c2cccnc2)no1
MR,Please optimize the molecule CN(C)c1ccc(CS(N)(=O)=O)cc1 to have a higher MR value.,CN(CN)c1ccc(CS(N)(=O)=O)cc1
QED,Modify the molecule CCC(C)NC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 to have a higher QED value.,CCC(C)NC(=O)C(C)N(Cc1c(O)cccc1Cl)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
AtomNum,"The molecule consists of 11 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",Cc1cc(Oc2ccc(N)cc2)ncn1
BondNum,"The molecule is composed of 13 single bonds, 2 double bonds, 2 rotatable bonds, and 10 aromatic bonds.",O=C(c1csc(-c2ncco2)c1)N1CCCC2CCCC=C21
FunctionalGroup,"The molecule has 1 hydroxyl group, 1 ester group, and 3 halo groups.",CCOC(=O)c1ccc(C[NH+]2CCC(C(O)C(F)(F)F)CC2)o1
AddComponent,Modify the molecule CCC(C)[NH+](C)CCNS(=O)(=O)N(C)CCC[NH2+]C(C)C by adding a hydroxyl.,CCC(C)[NH+](C)CC(O)NS(=O)(=O)N(C)CCC[NH2+]C(C)C
SubComponent,Substitute a halo in the molecule C[NH+]1CCCCC1CC[NH2+]Cc1ccc(Cl)s1 with a carboxyl.,C[NH+]1CCCCC1CC[NH2+]Cc1ccc(C(=O)[OH])s1
DelComponent,Please remove a halo from the molecule Cc1ccc(C(=O)NC2C(=O)N[N+](=Cc3ccccc3Cl)C2c2ccccc2)cc1.,Cc1ccc(C(=O)NC2C(=O)N[N+](=Cc3ccccc3)C2c2ccccc2)cc1
LogP,Modify the molecule COc1cc(OC)c(NC(=O)C2=[NH+]C(C)C(=O)N(c3ccccc3)N2)cc1Cl to decrease its LogP value.,COc1cc(OC)c(NC(=O)C2=[NH+]C(CO)C(=O)N(c3ccccc3)N2)cc1Cl
MR,Please modify the molecule C#CCCC(=O)Nc1ccc(CCCS(=O)(=O)[O-])cc1 to increase its MR value.,C#CCCC(=O)Nc1ccc(CCCS(=O)(=O)[O-])c(C(=O)O)c1
QED,Optimize the molecule CCc1nc2ccncc2n1CCCCOc1ccccc1 to have a higher QED value.,CCc1nc2ccncc2n1CCCCO
AtomNum,"The molecule is composed of 21 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",COc1ccc(-c2cc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)sc2C)cc1
BondNum,"There is a molecule composed of 9 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",CCCCN1c2ccccc2Sc2cc(C=O)ccc21
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 2 amide groups, and 1 amine group.",CCCOc1cccc(NC2=C(c3ccc(OC)cc3)C(=O)N(Cc3ccccn3)C2=O)c1
AddComponent,Please add a hydroxyl to the molecule O=C(NCCOCC(F)F)N1CCc2nnc(N3CCCOCC3)cc2C1.,O=C(NC(O)COCC(F)F)N1CCc2nnc(N3CCCOCC3)cc2C1
SubComponent,Modify the molecule CCC(C)[NH2+]CC(O)c1ccc(F)c(N)c1 by substituting a hydroxyl with a nitro.,CCC(C)[NH2+]CC(NO)c1ccc(F)c(N)c1
DelComponent,Please remove a amide from the molecule Cc1nc(SC(C)C(=O)NC(=O)NC2CC2)c2ccccc2n1.,Cc1nc([SH](C)C(=O)NC2CC2)c2ccccc2n1
LogP,Modify the molecule FC(F)c1nc2ccccc2n1-c1cc(N2CC[NH2+]CC2)nc(N2CCOCC2)n1 to decrease its LogP value.,FCc1nc2ccccc2n1-c1cc(N2CC[NH2+]CC2)nc(N2CCOCC2)n1
MR,Modify the molecule CCCC(=Cc1cc(I)c(O)c(OC)c1)CCC1OB(O)CC2C1=C(C)CC1C(=O)N(c3cccc(B(O)O)c3)C(=O)C12 to have a lower MR value.,CCCC(=Cc1ccc(O)c(OC)c1)CCC1OB(O)CC2C1=C(C)CC1C(=O)N(c3cccc(B(O)O)c3)C(=O)C12
QED,Please modify the molecule COc1ccc(N(c2ccccc2)c2cccc3c2c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 to decrease its QED value.,COc1ccc(N(c2cccc(-c3ccccc3)c2)c2cccc3c2c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
AtomNum,"The molecule contains 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 fluorine atom.",CC(=NNC(=O)c1ccc(F)cc1)C1CC2CCC1C2
BondNum,"Please generate a molecule with 17 single bonds, 3 double bonds, 5 rotatable bonds, and 18 aromatic bonds.",CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccccc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 ester group, 1 thioether group, and 2 sulfide groups.",CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc(N=O)ccc4C)o3)c(=O)n2C1c1ccc(SC)cc1
AddComponent,Modify the molecule CCC(CC)(CC(=O)Nc1ncccc1Cl)C(=O)[O-] by adding a thiol.,CCC(CCS)(CC(=O)Nc1ncccc1Cl)C(=O)[O-]
SubComponent,Please substitute a halo in the molecule Cc1ccc(NC(=O)C[NH2+]Cc2ccc(F)cc2)cc1C with a nitro.,Cc1ccc(NC(=O)C[NH2+]Cc2ccc(NO)cc2)cc1C
DelComponent,Remove a amide from the molecule CCOC(=O)C1=NN(c2ccccc2)C(C(=O)N(C)C(C2CC2)C2CC2)C1.,CCOC(=O)C1=NN(c2ccccc2)C(C2CC2)(C2CC2)CC1
LogP,Please optimize the molecule CCOc1ccc(C[NH+]2CCN(c3nccnc3C)CC2)c(C)c1 to have a lower LogP value.,CCOCC[NH+]1CCN(c2nccnc2C)CC1
MR,Modify the molecule COc1ccc2c(c1)nc(CC(N)=[NH2+])n2-c1ccccc1F to decrease its MR value.,COc1ccc2c(c1)nc(CCN)n2-c1ccccc1F
QED,Please modify the molecule COC(=O)c1ccc(C2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2OC(C)C)cc1 to decrease its QED value.,COC(=O)c1ccc(C2C(c3ccc(F)cc3)=C(S)C(=O)N2c2ccccc2OC(C)C)cc1
AtomNum,"The molecule is composed of 25 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N(CC#N)C(C(=O)NC(C)(C)C)c1cccc(O)c1
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 2 triple bonds, 4 rotatable bonds, and 18 aromatic bonds.",N#CC(C#N)=C(c1ccc(Cl)cc1)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 thioether group, and 1 sulfide group.",CSc1ccc(OCC(C)(C)C(=O)[O-])cc1
AddComponent,Modify the molecule Cc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1Br by adding a benzene ring.,Cc1ccc(-c2noc(C3CC[NH2+]C(c4ccccc4)C3)n2)cc1Br
SubComponent,Please substitute a halo in the molecule COc1cc(CC[NH3+])ccc1OCc1ccncc1Cl with a hydroxyl.,COc1cc(CC[NH3+])ccc1OCc1ccncc1O
DelComponent,Remove a amide from the molecule CC(=O)C1CCC2C3CCC4=CC(=O)CCC4C3C(OC(=O)CCC(N)=O)CC12C.,CC(=O)OC1CC2(C)C(C(C)=O)CCC2C2CCC3=CC(=O)CCC3C12
LogP,Optimize the molecule CC(=NNC(=O)c1ccc(N)cc1)c1ccc(Cl)s1 to have a higher LogP value.,CC(=NNC(=O)c1ccccc1)c1ccc(Cl)s1
MR,Modify the molecule CCCN(Cc1ccc(C)cc1)C(=O)C1CCN(S(N)(=O)=O)CC1 to increase its MR value.,Cc1ccc(CN(CC(C)C(=O)O)C(=O)C2CCN(S(N)(=O)=O)CC2)cc1
QED,Optimize the molecule CCC(CNC(=O)CCSc1ccc(F)cc1)CC(=O)[O-] to have a lower QED value.,CCC(CC(=O)[O-])C(O)NC(=O)CCSc1ccc(F)cc1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",C#CCn1cncc1C(C)(C)N(C)C(=O)OC(C)(C)C
BondNum,"The molecule consists of 14 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
FunctionalGroup,The molecule is composed of and 1 amine group.,CC(C)C(C)n1ncc2c(N)nc(N3CCOCC3)nc21
AddComponent,Please add a hydroxyl to the molecule COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCCC4)cc3)C2c2ccc(O)c(OC)c2)c(OC)c1.,COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCC(O)C4)cc3)C2c2ccc(O)c(OC)c2)c(OC)c1
SubComponent,Please substitute a halo in the molecule NC(=O)c1ccc(C(=O)c2ccc(F)cc2)cn1 with a aldehyde.,CC(=O)c1ccc(C(=O)c2ccc(C(N)=O)nc2)cc1
DelComponent,Modify the molecule CC(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)[Se]c1ccccc1)C(C)O by removing a benzene ring.,CC(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)[Se])C(C)O
LogP,Please modify the molecule COC1(C(=O)NCCC(C)c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 to increase its LogP value.,COC1(C(=O)NCCC(C)c2cccc(C(F)(F)F)c2)CC[NH2+]CC1c1ccccc1
MR,Modify the molecule Cn1cc(CCn2cncc2C2CC[NH2+]CC2)cn1 to have a higher MR value.,Cn1cc(CCn2cncc2C2CC[NH2+]CC2c2ccccc2)cn1
QED,Optimize the molecule CC(=O)NN=Cc1cc(C)n(-c2ccc(I)c(C)c2)c1C to have a higher QED value.,Cc1cc(-n2c(C)cc(C=N)c2C)ccc1I
AtomNum,"The molecule contains 27 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)cc1
BondNum,"There is a molecule with 19 single bonds, and 5 rotatable bonds.",CCCOC1CCCN(C2(C[NH3+])CCCSC2)C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amine groups, 2 halo groups, and 1 nitrile group.",N#Cc1ccnc(C2=[NH+]CC(c3ccc(F)cc3)(c3ccnc(F)c3)N2)c1
AddComponent,Please add a benzene ring to the molecule CC(NC(=O)c1cc(N)nc2ccccc12)C1CCOC1.,CC(NC(=O)c1cc(N)nc2ccccc12)C1COCC1c1ccccc1
SubComponent,Substitute a Cc1cc(NCC(O)Cn2cccn2)ccc1Br in the molecule hydroxyl with a aldehyde.,CC(=O)C(CNc1ccc(Br)c(C)c1)Cn1cccn1
DelComponent,Please remove a amide from the molecule C=CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)nnc1C(C)Oc1ccccc1C.,C=CCn1c(Sc2nc(-c3ccc(Cl)cc3Cl)cs2)nnc1C(C)Oc1ccccc1C
LogP,Modify the molecule CC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 to decrease its LogP value.,CC(=O)NC(=S)c1ccc(-c2nc3ccccc3s2)c(O)c1
MR,Optimize the molecule C[NH2+]C(C)(CO)CC[NH+]1CCC2CCCCC2C1 to have a lower MR value.,C[NH2+]C(C)(C)CC[NH+]1CCC2CCCCC2C1
QED,Optimize the molecule CC(Oc1cccc2c1CCC2=O)C(N)=O to have a lower QED value.,CC(Oc1cccc2c1C(N)CC2=O)C(N)=O
AtomNum,"The molecule has 16 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CC(COCC(F)(F)F)NC(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1
BondNum,"There is a molecule consisting of 16 single bonds, 3 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CC(C)C)cc21
FunctionalGroup,Please generate a molecule with and 1 sulfone group.,CC[NH+](Cc1ccncc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
AddComponent,Please add a hydroxyl to the molecule Cc1c(C(=O)NCC(O)CC(C)C)cnn1-c1ccncc1.,Cc1c(C(=O)NC(O)C(O)CC(C)C)cnn1-c1ccncc1
SubComponent,Please substitute a CC(COCc1ccccc1)C(O)CC(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C in the molecule hydroxyl with a nitrile.,CC(COCc1ccccc1)C(C#N)CC(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
DelComponent,Modify the molecule amine by removing a CCCC[NH+]1CCCCC1c1ccc(NC2CC2)nc1.,CCCC[NH+]1CCCCC1c1ccc(C2CC2)nc1
LogP,Optimize the molecule O=C1CCc2cc(F)c(NC3CCSC3)cc2N1 to have a lower LogP value.,ONc1cc2c(cc1NC1CCSC1)NC(=O)CC2
MR,Modify the molecule Cn1nnc(Br)c1C(=O)C(C)(C)C to decrease its MR value.,Cn1nncc1C(=O)C(C)(C)C
QED,Modify the molecule CCC1C(=O)NCCN1S(=O)(=O)c1cccc(Cl)c1Cl to decrease its QED value.,CC1CCN1S(=O)(=O)c1cccc(Cl)c1Cl
AtomNum,"Please generate a molecule with 13 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cc1nn(C)c(C)c1CNC(=O)c1cccnc1NN
BondNum,"Please generate a molecule with 15 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CCCc1cnc(C)nc1N1CCCC(c2ccnn2CC(=O)[O-])C1
FunctionalGroup,"There is a molecule with 1 amide group, and 1 sulfide group.",Cc1sc(-n2cccc2)nc1C(=O)NCC[NH+]1CCOCC1
AddComponent,Modify the molecule O=C(OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCN(c2ccccc2)CC1 by adding a hydroxyl.,O=C(OC1(O)c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCN(c2ccccc2)CC1
SubComponent,Modify the molecule hydroxyl by substituting a CCC(=O)NCC(=O)N(C)C(CCO)c1ccccc1 with a carboxyl.,CCC(=O)NCC(=O)N(C)C(CCC(=O)[OH])c1ccccc1
DelComponent,Modify the molecule amine by removing a CC(NC(=O)N1C(=O)C(SCc2ccnc(N)c2)C1C(=O)[O-])c1ccccc1.,CC(NC(=O)N1C(=O)C(SCc2ccncc2)C1C(=O)[O-])c1ccccc1
LogP,Please modify the molecule CCOC(=O)N1CCC(NC(=S)N(CC)CCc2ccncc2)CC1 to increase its LogP value.,CCOC(=O)N1CCC(C(=S)N(CC)CCc2ccncc2)CC1
MR,Please modify the molecule CC(C)([NH3+])Cc1ccc(F)c2cnccc12 to increase its MR value.,CC(C)([NH3+])C(C#N)c1ccc(F)c2cnccc12
QED,Modify the molecule CC(C)(C[NH3+])C(O)c1ccc(F)cc1 to have a lower QED value.,CC(C)(C[NH3+])C(S)c1ccc(F)cc1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CC(CCCO)NC(=O)Nc1ccccc1-c1nncn1C(C)C
BondNum,"Please generate a molecule with 38 single bonds, 5 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1
FunctionalGroup,There is a molecule with and 1 benzene ring group.,CCCC1CCCN(c2ccc(C([NH3+])CC)cc2)CC1
AddComponent,Add a amine to the molecule FC(F)(F)c1cccc(C2(NC(=S)Nc3ccc(Br)cc3)CCCC2)c1.,NC1CCCC1(NC(=S)Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1
SubComponent,Modify the molecule hydroxyl by substituting a C[NH+](Cc1nc2ccccc2[nH]1)C(O)c1ccc2c(c1)C[NH+](CCCNC(=O)C(CCC(=O)[O-])[NH2+]C(O)C(CCC(=O)[O-])NC(=O)CCC(NC(=O)C(CCC(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)CN1CCN(CC(=O)[O-])CC[NH+](CC(=O)[O-])CCN(CC(=O)[O-])CC1)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCC(=O)[O-])C(O)[NH2+]CCC[NH+]1Cc3cc(C(O)[NH+](C)Cc4nc5ccccc5[nH]4)ccc3NC(CC(=O)[O-])C1O)C(O)C(CC(=O)[O-])N2 with a nitro.,C[NH+](Cc1nc2ccccc2[nH]1)C(O)c1ccc2c(c1)C[NH+](CCC[NH2+]C(O)C(CCC(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)C(CCC(=O)NC(CCC(=O)[O-])C(O)[NH2+]C(CCC(=O)[O-])C(=O)NCCC[NH+]1Cc3cc(C(NO)[NH+](C)Cc4nc5ccccc5[nH]4)ccc3NC(CC(=O)[O-])C1O)NC(=O)C(CCC(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)CN1CCN(CC(=O)[O-])CC[NH+](CC(=O)[O-])CCN(CC(=O)[O-])CC1)C(O)C(CC(=O)[O-])N2
DelComponent,Remove a benzene ring from the molecule CCCCCCCCC=CCCCCCCCC(=O)N(CC(=O)[O-])c1ccc(O)cc1.,CCCCCCCCC=CCCCCCCCC(=O)N(O)CC(=O)[O-]
LogP,Optimize the molecule CC(Sc1cccc(NC(=O)C=CC(=O)[O-])c1)C(=O)Nc1ccccc1Br to have a higher LogP value.,CC(Sc1cccc(NC(=O)C=CC(=O)[O-])c1)(C(=O)Nc1ccccc1Br)c1ccccc1
MR,Modify the molecule O=C(CNc1ccccc1C(F)(F)F)Nc1ccc(N2CCCCC2)cc1 to increase its MR value.,O=C(CNc1cccc(-c2ccccc2)c1C(F)(F)F)Nc1ccc(N2CCCCC2)cc1
QED,Please modify the molecule CC(CC(=O)NC(c1ccccc1)c1ccncc1)c1ccccc1 to decrease its QED value.,CC(c1ccccc1)C(c1ccccc1)c1ccncc1
AtomNum,"There is a molecule with 18 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 3 fluorine atoms.",Cc1cc(N2CCc3ncc(C(F)(F)F)cc3C2)cc(C)c1NC=O
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CCCCCCCC1CC(=O)c2ccccc2S1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 2 amine groups, 1 halo group, 1 nitrile group, and 1 sulfide group.",Cc1c(C#N)c(N)nc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c12
AddComponent,Please add a thiol to the molecule CCOc1ccc(CC(=O)[O-])cc1[N+](=O)[O-].,O=C([O-])Cc1ccc(OCCS)c([N+](=O)[O-])c1
SubComponent,Modify the molecule halo by substituting a CCc1ccccc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)Nc3ccc(C)cc3F)ccc2C)CC1 with a thiol.,CCc1ccccc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2cc(C(=O)Nc3ccc(C)cc3S)ccc2C)CC1
DelComponent,Remove a amide from the molecule CCCCCC=CCC=CCC=C=CC=CCC=CCCCSC(CC)(CC)C(=O)OCCNC(=O)c1ccccc1O.,CCCCCC=CCC=CCC=C=CC=CCC=CCCCSC(CC)(CC)C(=O)OCCc1(O)cccc-1
LogP,Modify the molecule Cc1cccc(C(=O)Nc2cccc(SC(C)C(=O)Nc3cc(C(=O)[O-])ccc3C)c2)c1 to have a lower LogP value.,CC(=O)Nc1cccc(SC(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c1
MR,Modify the molecule COc1ccc(Oc2ccc(Nc3nc(=O)n(CC(C)(C)C(=O)[O-])c(=O)n3Cc3ccc(Cl)cc3)cc2)nn1 to have a higher MR value.,COc1ccc(Oc2ccc(Nc3nc(=O)n(CC(C)(C)C(=O)[O-])c(=O)n3Cc3ccc(S)cc3)cc2)nn1
QED,Please optimize the molecule CCN(CC)S(=O)(=O)c1ccc(C2=CSC3=[NH+]C4CCCCC4N23)cc1 to have a lower QED value.,CCN(CC)S(=O)(=O)c1ccc(C2=CSC3C4CCCCC4N23)cc1
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC(=O)c1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1
BondNum,"The molecule contains 20 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",COCCc1nc(-c2ccc3c(c2)N(CC(=O)N2CCOCC2)C(=O)C(C)O3)cs1
FunctionalGroup,The molecule is composed of and 1 hydroxyl group.,COC1CN(C(CO)C([NH3+])CC(C)C)CCC1C
AddComponent,Modify the molecule CCOC(=O)CN(CCOC)C(=O)c1cc(Br)c[nH]1 by adding a benzene ring.,CCOC(=O)CN(CCOC)C(=O)c1[nH]cc(Br)c1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(C=Cc1ccc([N+](=O)[O-])s1)NC1CCCN(C(=O)Nc2ccc(F)cc2F)C1 with a thiol.,O=C(C=Cc1ccc([N+](=O)[O-])s1)NC1CCCN(C(=O)Nc2ccc(S)cc2F)C1
DelComponent,Please remove a CCc1cn(CCCOC)c2cc(C(C)N(C(=O)C3C[NH2+]CCO3)C3CC3)nc(C#N)c12 from the molecule nitrile.,CCc1cn(CCCOC)c2cc(C(C)N(C(=O)C3C[NH2+]CCO3)C3CC3)ncc12
LogP,Optimize the molecule COc1ccc(-c2noc(C3=C(C)N(c4ccccc4)C(=O)NC3c3cccc(F)c3)n2)cc1 to have a lower LogP value.,COc1ccc(-c2noc(C3=C(C)N(c4ccccc4)C(=O)NC3c3ccccc3)n2)cc1
MR,Modify the molecule c1ccc(-c2cc(-c3csc(-c4ccccc4)c3-c3ccccc3)sc2-c2ccccc2)cc1 to decrease its MR value.,c1ccc(-c2cscc2-c2cc(-c3ccccc3)c(-c3ccccc3)s2)cc1
QED,Optimize the molecule CC(C)[NH+]1CCN(CC2CNc3ccccc3C2)CC1 to have a lower QED value.,CC(C)[NH+]1CCN(CC2Cc3ccccc3C2)CC1
AtomNum,"Please generate a molecule composed of 9 carbon atoms, 4 nitrogen atoms, and 1 sulfur atom.",Nc1cnc(NC2CCCSC2)nc1
BondNum,"There is a molecule with 10 single bonds, 1 double bond, 6 rotatable bonds, and 17 aromatic bonds.",COc1cccc(CNC(=O)c2nnn(Cc3ccccc3C)c2N)c1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 hydroxyl group, and 2 amide groups.",CC1=C2C(CCC(=Cc3ccc(O)cc3)c3ccccn3)OCC2C2C(=O)N(C3CC[NH+](Cc4ccccc4)CC3)C(=O)C2C1
AddComponent,Add a carboxyl to the molecule COc1cc(C)c(C(=O)NCCc2ccc3c(c2)OCO3)c(C)c1C.,COc1cc(C)c(C(=O)NCC(C(=O)O)c2ccc3c(c2)OCO3)c(C)c1C
SubComponent,Please substitute a halo in the molecule Cc1ccc(C2CN(C(=O)c3ccc(Br)o3)CCO2)cc1 with a carboxyl.,Cc1ccc(C2CN(C(=O)c3ccc(C(=O)[OH])o3)CCO2)cc1
DelComponent,Please remove a amine from the molecule COC(=O)c1ccc(NC2CCSC2)nc1C.,COC(=O)c1ccc(C2CCSC2)nc1C
LogP,Optimize the molecule C[NH2+]CC1CCC[NH+](CC(C)c2ccc(F)cc2)C1 to have a lower LogP value.,C[NH2+]CC1CCC[NH+](CC(C)c2ccc(NO)cc2)C1
MR,Optimize the molecule C=CCC1(O)CC2[NH2+]C(C1)C1OC(C)(C)OC21 to have a higher MR value.,C=CCC1(C#N)CC2[NH2+]C(C1)C1OC(C)(C)OC21
QED,Optimize the molecule Nc1ncn(-c2ncc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)n1 to have a lower QED value.,Nc1ncn(-c2ncc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4O)c[nH]c23)n1
AtomNum,"Please generate a molecule with 15 carbon atoms, 6 nitrogen atoms, and 3 sulfur atoms.",CCNc1nnc(SCc2nc(N)c3c4c(sc3n2)CCCC4)s1
BondNum,"Please generate a molecule composed of 15 single bonds, 1 double bond, 1 triple bond, 3 rotatable bonds, and 17 aromatic bonds.",N#Cc1cc(C2=[N+]([O-])CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1-n1cncn1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amide groups, and 1 sulfide group.",O=C(NCC[NH+]1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1)c1ccsc1
AddComponent,Modify the molecule CCCCCCCCCCOCC(O)C[NH2+]CCO by adding a aldehyde.,CCCCCCCCCC(CC=O)OCC(O)C[NH2+]CCO
SubComponent,Substitute a N#Cc1c2c(c(C(N)=O)c3c1OCCC3)OCCC2 in the molecule nitrile with a thiol.,NC(=O)c1c2c(c(S)c3c1OCCC3)OCCC2
DelComponent,Remove a amide from the molecule CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[NH+]1CCN2CCCC2C1.,CCOC(=O)c1c(-c2ccccc2)csc1[NH+]1CCN2CCCC2C1
LogP,Optimize the molecule NC(=O)CC[NH+](CCC[NH+](CCC(N)=O)CCC(N)=O)CCC(N)=O to have a higher LogP value.,C[NH+](CCC[NH+](CCC(N)=O)CCC(N)=O)CCC(N)=O
MR,Optimize the molecule CC1Cc2ccccc2C(C(=O)c2cc3c(cc2-c2cc(C(=O)N(C)c4ccc(O)cc4)c4n2CCCC4)CCN(C(=O)Cc2ccccc2)C3)[NH2+]1 to have a higher MR value.,CC1Cc2ccccc2C(C(=O)c2cc3c(cc2-c2cc(C(=O)N(C)c4ccc(Cl)cc4)c4n2CCCC4)CCN(C(=O)Cc2ccccc2)C3)[NH2+]1
QED,Optimize the molecule COCC[NH+]1CCC(n2ncc3ccccc32)CC1 to have a lower QED value.,COC(C[NH+]1CCC(n2ncc3ccccc32)CC1)c1ccccc1
AtomNum,"The molecule consists of 17 carbon atoms, and 2 nitrogen atoms.",CC1Cc2ccccc2N1CCC[NH2+]C1CCCC1
BondNum,"The molecule has 18 single bonds, 4 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",O=C(Nc1ccc(-n2nnn(CC(=O)N3CCOCC3)c2=O)cc1)C1CC=CCC1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 2 halo groups.",O=C(Nc1ccc(F)c(Cl)c1)Nc1ccccc1C(=O)[O-]
AddComponent,Add a hydroxyl to the molecule O=C(CNC(=O)NCc1ccc2ccccc2c1)NCC1CC1.,O=C(CNC(=O)NCc1ccc2ccccc2c1)NC(O)C1CC1
SubComponent,Modify the molecule halo by substituting a CCC1CCCCN1c1nncc(Nc2cccc(F)c2)n1 with a nitrile.,CCC1CCCCN1c1nncc(Nc2cccc(C#N)c2)n1
DelComponent,Please remove a amine from the molecule Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)c(OCC[NH+]2CCCC2)c1.,Cc1cccc(C)c1NC(=O)c1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)c(OCC[NH+]2CCCC2)c1
LogP,Modify the molecule N#CCCNC(=O)C1CSC(=O)N1 to increase its LogP value.,CCNC(=O)C1CSC(=O)N1
MR,Please modify the molecule CC(=O)Nc1cccc(Cc2nn(C3C=NN(C)C3)ccc2=O)c1 to decrease its MR value.,CC(=O)NCc1nn(C2C=NN(C)C2)ccc1=O
QED,Modify the molecule CC(C)(C)c1cnc(C[NH+]2CCCN(C(=O)c3ccn(COc4ccccc4)n3)CC2)o1 to decrease its QED value.,CC(C)(C)c1cnc(C[NH+]2CCCN(C(=O)c3ccn(C(Oc4ccccc4)c4ccccc4)n3)CC2)o1
AtomNum,"The molecule consists of 14 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",CC([NH3+])C(C)C(=O)Nc1cccc(Cl)c1-n1cccn1
BondNum,"The molecule consists of 10 single bonds, 2 double bonds, 4 rotatable bonds, and 20 aromatic bonds.",O=C(NCc1nc2ccccc2[nH]1)C1CC(=O)N(c2n[nH]c3ccccc23)C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amine group, 2 halo groups, 1 nitrile group, and 1 sulfide group.",CC1=C(C#N)C(C)(c2ccc(F)c(F)c2)N=C(c2nccs2)N1
AddComponent,Add a nitrile to the molecule Cn1nc(CC2(C[NH3+])CCCCCCC2)c2ccccc21.,Cn1nc(CC2(C[NH3+])CCCCC(C#N)CC2)c2ccccc21
SubComponent,Modify the molecule halo by substituting a Cc1ccc(-c2cc(F)c3c(c2)C[NH+](C)CCC3c2ccccc2)nn1 with a carboxyl.,Cc1ccc(-c2cc3c(c(C(=O)[OH])c2)C(c2ccccc2)CC[NH+](C)C3)nn1
DelComponent,Please remove a halo from the molecule C[NH+](C)CCNc1ccc(C(=O)NCc2ccc(F)cc2)nn1.,C[NH+](C)CCNc1ccc(C(=O)NCc2ccccc2)nn1
LogP,Please modify the molecule CCCC(=O)NCC1CCCN(C(=O)C2C[NH2+]C2)C1 to increase its LogP value.,CCCC1CCCN(C(=O)C2C[NH2+]C2)C1
MR,Modify the molecule O=C(C1CCCCO1)N1CCc2ccc(F)cc2C1 to have a lower MR value.,Fc1ccc2c(c1)C(C1CCCO1)CC2
QED,Please modify the molecule CC(C)(C)OC(=O)NC1C2CCOC2C1[NH2+]C1CCC(O)CC1 to increase its QED value.,CC(=O)C1CCC([NH2+]C2C(NC(=O)OC(C)(C)C)C3CCOC32)CC1
AtomNum,"Please generate a molecule with 23 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CN(C(=O)C=Cc1nc2ccccc2s1)C(c1ccccc1)c1ccccn1
BondNum,"There is a molecule with 16 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",O=C1C(Cl)=C([NH+]2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(Br)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 ketone group, 1 ester group, and 1 amide group.",COc1cc(C(CC(=O)NCCn2cnc3ccccc32)c2c(O)cc3c(c2[O-])C(=O)OC(C)CCCC(=O)CCCC=C3)cc(OC)c1OC
AddComponent,Please add a hydroxyl to the molecule O=S(=O)(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1.,O=S(=O)(c1ccc(Cl)c(O)c1)N1CCC(C(F)(F)F)CC1
SubComponent,Modify the molecule CC(=O)Cc1c(F)c(F)cc(Cl)c1F by substituting a halo with a hydroxyl.,CC(=O)Cc1c(O)c(F)cc(Cl)c1F
DelComponent,Remove a amine from the molecule CN(C)c1ccc(Nc2cc(NCC3CCCO3)nc(-c3ccccc3)n2)cc1.,CN(C)c1ccc(-c2cc(NCC3CCCO3)nc(-c3ccccc3)n2)cc1
LogP,Modify the molecule CN1C(=O)C(=CC=CC=CC2C(=O)N(C)c3ccccc32)c2ccccc21 to increase its LogP value.,CN1C(=O)C(=CC=CC=CC2C(=O)N(C)c3ccc(-c4ccccc4)cc32)c2ccccc21
MR,Modify the molecule Cc1ccc2c(N3CC[NH2+]CC3)ccc(Cl)c2n1 to have a lower MR value.,Cc1ccc2c(N3CC[NH2+]CC3)cccc2n1
QED,Modify the molecule O=S(=O)(Cc1cccc(F)c1)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1 to have a lower QED value.,O=S(=O)(Cc1cccc(F)c1)c1ccc(Oc2ccc(-n3cccc3)nn2)cc1
AtomNum,"Please generate a molecule with 10 carbon atoms, and 4 oxygen atoms.",CCCCC(C=O)C(O)C(=O)OCC
BondNum,"There is a molecule consisting of 10 single bonds, 4 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1NN=Cc1cccc(F)c1
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 sulfide group.",Cc1nn(C)c(C)c1OCC(=O)N(Cc1ccsc1)C1CC12CC[NH2+]CC2
AddComponent,Please add a hydroxyl to the molecule CCCCCCC([NH2+]C)c1c(Cl)cnn1CCOC.,CCCCC(O)CC([NH2+]C)c1c(Cl)cnn1CCOC
SubComponent,Please substitute a COC(=O)CC(C)(O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C in the molecule hydroxyl with a nitrile.,COC(=O)CC(C)(C#N)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
DelComponent,Modify the molecule benzene ring by removing a CC(C)(C)c1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)Nc5cccc(C#N)c5)CC4)nc2-3)cc1.,CC(C)(C)Cn1[nH]nc2c(=O)nc(C3CCN(C(=O)Nc4cccc(C#N)c4)CC3)nc1-2
LogP,Modify the molecule Cc1nn(C)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl to decrease its LogP value.,Cc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[OH])ccc1Cl
MR,Optimize the molecule CC1C=CC2C3Cc4ccc(O)c5c4C2(CC[NH+]3C(C)C2CC2)C1O5 to have a higher MR value.,CC1C=CC2C3Cc4ccc(O)c5c4C2(CC[NH+]3C(C)(O)C2CC2)C1O5
QED,Modify the molecule COc1ccc(OCCOC(=O)c2nc3nccc(C)n3n2)cc1 to decrease its QED value.,COOCCOC(=O)c1nc2nccc(C)n2n1
AtomNum,"There is a molecule composed of 22 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCC(C)NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2
BondNum,"The molecule has 9 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",CC(C)c1ccc(Nc2ccnc3c2CCN3)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",Cc1nccn1CCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
AddComponent,Please add a amine to the molecule CC(NC(=O)c1cscn1)C(O)c1ccc(Cl)cc1.,CC(NC(=O)c1cscn1)C(O)c1ccc(Cl)c(N)c1
SubComponent,Modify the molecule halo by substituting a COCCOc1cccc2ccc(CBr)cc12 with a thiol.,COCCOc1cccc2ccc(CS)cc12
DelComponent,Remove a hydroxyl from the molecule Cc1cc(-n2[nH]c(C)c(N=NC3(NS(=O)(=O)C(F)(F)F)C=CC=C(c4ccccc4O)C3)c2=O)ccc1F.,Cc1cc(-n2[nH]c(C)c(N=NC3(NS(=O)(=O)C(F)(F)F)C=CC=C(c4ccccc4)C3)c2=O)ccc1F
LogP,Optimize the molecule COC(=O)c1ccc(CBr)c(N)c1 to have a lower LogP value.,COC(=O)c1ccc(C)c(N)c1
MR,Modify the molecule CCNC(=O)c1ccc(NCC[NH2+]C2CC2)nn1 to increase its MR value.,CC(N)NC(=O)c1ccc(NCC[NH2+]C2CC2)nn1
QED,Optimize the molecule CCCCCCCCCC(=O)CC(=O)NC(=O)C=C[NH3+] to have a lower QED value.,CCCCCCCCCC(=O)CC(=O)NC(=O)C=C([NH3+])O
AtomNum,"Please generate a molecule with 21 carbon atoms, and 6 oxygen atoms.",CCOCCOc1ccc(OCC(=O)Oc2ccc(C(=O)CC)cc2)cc1
BondNum,"Please generate a molecule composed of 8 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",Cc1cccc(NCCOCCO)n1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, and 2 halo groups.",CCONC(CC)c1ccc(Cl)c(Cl)c1
AddComponent,Add a hydroxyl to the molecule CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc(Oc3cc(-n4ccnc4C)nc(C)n3)cc2)c1.,CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc(Oc3cc(-n4ccnc4CO)nc(C)n3)cc2)c1
SubComponent,Please substitute a hydroxyl in the molecule CCCC(C)Nc1ncc2c(-c3ccc(C[NH+]4CCC(F)(F)CC4)cc3)cn(C3CCC(O)CC3)c2n1 with a carboxyl.,CCCC(C)Nc1ncc2c(-c3ccc(C[NH+]4CCC(F)(F)CC4)cc3)cn(C3CCC(C(=O)[OH])CC3)c2n1
DelComponent,Modify the molecule amine by removing a Nc1c(Br)cc(S(=O)(=O)OCl)cc1Br.,O=S(=O)(OCl)c1cc(Br)cc(Br)c1
LogP,Optimize the molecule O=C([O-])c1ccc2c(c1)N1CCN2C(=O)C1 to have a higher LogP value.,O=C([O-])c1ccc2c(c1)N1CC21
MR,Optimize the molecule COc1ccc(NCc2ncc(Br)cc2Br)c(OC)c1 to have a lower MR value.,COc1ccc(Cc2ncc(Br)cc2Br)c(OC)c1
QED,Optimize the molecule CSc1cccc(NC(=O)C[NH+](Cc2ccc(Cl)cc2)C2CC2)c1 to have a lower QED value.,CSc1cccc(NC(=O)C[NH+](Cc2ccc(Cl)c(C(=O)O)c2)C2CC2)c1
AtomNum,"Please generate a molecule with 12 carbon atoms, and 4 oxygen atoms.",CCCC(C)CC1(C(=O)[O-])COCCC1=O
BondNum,"Please generate a molecule consisting 8 single bonds, 2 double bonds, 7 rotatable bonds, and 29 aromatic bonds.",Cc1ccc(C=Cc2ccccc2C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)s1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, and 1 borane group.",Bc1cc(OC)c(OC)cc1O
AddComponent,Please add a benzene ring to the molecule CCC=CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COCCC(C(=O)[O-])[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC.,CCCCCCCCCCCCCCCCC(=O)OC(COCCC(C(=O)[O-])[N+](C)(C)C)COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC=CC(C)c1ccccc1
SubComponent,Please substitute a nitrile in the molecule CO[Si](CCCCCCCCCCCC#N)(OC)OC with a hydroxyl.,CO[Si](CCCCCCCCCCCO)(OC)OC
DelComponent,Remove a benzene ring from the molecule COCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(C(C)=O)c2)C12CCCC2.,COCCN1C(=O)c2ccccc2C(C(=O)NC(C)=O)C12CCCC2
LogP,Please modify the molecule O=C([O-])N1CCN(C(=O)c2ncn(C3CCCCC3(O)COC3CCOCC3)c2-c2ccccc2)C(Cc2ccccc2)C1 to decrease its LogP value.,O=C([O-])N1CCN(C(=O)c2cn(C3CCCCC3(O)COC3CCOCC3)cn2)C(Cc2ccccc2)C1
MR,Please optimize the molecule CC(C)CNC(=S)N1CCCC(C(C)(C)C)CC1 to have a higher MR value.,CC(C)C(NC(=S)N1CCCC(C(C)(C)C)CC1)c1ccccc1
QED,Optimize the molecule Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+](C)Cn1ncc(Cl)c(Cl)c1=O to have a lower QED value.,Cc1nn(Cc2ccccc2C(=O)[OH])c(C)c1C[NH+](C)Cn1ncc(Cl)c(Cl)c1=O
AtomNum,"The molecule consists of 22 carbon atoms, 3 oxygen atoms, and 6 nitrogen atoms.",Cc1cc(N2CCCC(C(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2ccnc2)n1
BondNum,"Please generate a molecule with 13 single bonds, 2 double bonds, 1 rotatable bond, and 6 aromatic bonds.",O=C1NC(c2c(F)cccc2F)=[NH+]C12CC[NH2+]CC2
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 3 halo groups.",CC(C)N(CCCCl)C(=O)c1ccc(Br)cc1Cl
AddComponent,Modify the molecule O=Cc1cc(CCCCl)ccc1CBr by adding a benzene ring.,O=Cc1cc(CCCCl)ccc1C(Br)c1ccccc1
SubComponent,Substitute a Cc1c[n+](O)c(CN2C(=O)Cc3c(Cl)nc(N)nc32)c(C)c1Cl in the molecule hydroxyl with a halo.,Cc1c[n+](F)c(CN2C(=O)Cc3c(Cl)nc(N)nc32)c(C)c1Cl
DelComponent,Remove a amide from the molecule Cc1cc(NC(=O)CSc2ccc3c(c2)OCCO3)no1.,Cc1cc(Sc2ccc3c(c2)OCCO3)no1
LogP,Please modify the molecule Cc1ccc(S(=O)(=O)Cl)c2ccnc(C)c12 to decrease its LogP value.,Cc1ccc(S(=O)(=O)C#N)c2ccnc(C)c12
MR,Modify the molecule Cc1ccc(N2C(=O)NC3CCN(S(C)(=O)=O)C3C2=O)cc1 to have a higher MR value.,Cc1ccc(N2C(=O)NC3CCN(S(C)(=O)=O)C3C2=O)cc1O
QED,Modify the molecule CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccccc2Br)n1 to increase its QED value.,CSc1sc(C(N)=[NH2+])cc1-c1csc(NBr)n1
AtomNum,"The molecule has 8 carbon atoms, 5 nitrogen atoms, and 1 chlorine atom.",CCc1c(C)c(Cl)nn2c(N)nnc12
BondNum,"There is a molecule composed of 16 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",COc1ccc(NC(=O)C(C)[NH+]2CCN(C)CC2)cc1OC
FunctionalGroup,"The molecule has 1 benzene ring group, and 2 amide groups.",COc1ccc(N2CCN(C(=O)C(=O)NCC(C)C)CC2)cc1
AddComponent,Add a benzene ring to the molecule C[NH+]1CCC2c3ccc(Cl)cc3N(CC(C)(O)c3ccncc3)C2CC1.,C[NH+]1CCC2c3ccc(Cl)cc3N(CC(C)(O)c3ccncc3)C2C(c2ccccc2)C1
SubComponent,Please substitute a halo in the molecule Brc1cc2c(c(Br)c1Br)POO2 with a carboxyl.,O=C([OH])c1cc2c(c(Br)c1Br)POO2
DelComponent,Please remove a Cc1cccc(-n2cc(-c3ccc4c(c3)OCO4)[nH]c2=S)c1 from the molecule benzene ring.,Cn1cc(-c2ccc3c(c2)OCO3)[nH]c1=S
LogP,Modify the molecule C[NH2+]Cc1sc2ccccc2c1Cn1nc(C)c(Br)c1C to decrease its LogP value.,C[NH2+]Cc1sc2ccccc2c1Cn1nc(C)cc1C
MR,Please modify the molecule CC(NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(-n2ccnc2)cc1 to decrease its MR value.,CN(c1ccc(-n2ccnc2)cc1)S(=O)(=O)c1cccs1
QED,Please modify the molecule COc1ccc(C(O)CCC(C)(C)C)c(OC)c1OC to decrease its QED value.,COc1ccc(CCCC(C)(C)C)c(OC)c1OC
AtomNum,"There is a molecule with 9 carbon atoms, and 5 oxygen atoms.",CCC(OC(C)=O)C(=O)COC(C)=O
BondNum,"There is a molecule with 26 single bonds, 7 double bonds, and 16 rotatable bonds.",CC(NC(=O)C([NH3+])CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-]
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 2 amide groups, and 1 halo group.",Cc1ccccc1C(C(=O)NCC1CCCO1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21
AddComponent,Please add a carboxyl to the molecule Cc1c(C(=O)[O-])nnn1CC(=O)NCCC(C)C.,Cc1c(C(=O)[O-])nnn1CC(=O)NCCC(C)CC(=O)O
SubComponent,Modify the molecule COc1ccc(C2=C(NS(=O)(=O)c3ccccc3)N(CC[NH+](C)C)NC2C(F)(F)F)cc1C by substituting a halo with a nitro.,COc1ccc(C2=C(NS(=O)(=O)c3ccccc3)N(CC[NH+](C)C)NC2C(F)(F)NO)cc1C
DelComponent,Remove a halo from the molecule O=C(Cc1csc(-c2cc(Br)cs2)n1)N1CC=C(c2ccc(O)cc2)CC1.,O=C(Cc1csc(-c2cccs2)n1)N1CC=C(c2ccc(O)cc2)CC1
LogP,Please modify the molecule C#CCN(C)C(=O)c1cc(Cl)ncc1Cl to decrease its LogP value.,C#CCN(C)C(=O)c1cc(S)ncc1Cl
MR,Optimize the molecule CCN1CC(NS(=O)(=O)C2CC2)CC1=O to have a lower MR value.,CCCCNS(=O)(=O)C1CC1
QED,Modify the molecule COC(=O)c1c2c(c3cc(OC)c(OC)cc3c1-c1ccccc1)OCC=C2c1ccc(OC)cc1 to decrease its QED value.,COC(=O)c1c2c(c3cc(OCc4ccccc4)c(OC)cc3c1-c1ccccc1)OCC=C2c1ccc(OC)cc1
AtomNum,"The molecule has 13 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCC(CC1CC1)[NH2+]CC(=O)NCCCOC
BondNum,"The molecule has 14 single bonds, and 4 rotatable bonds.",C[NH+](CC(C)(C)C[NH3+])C1CCCC1O
FunctionalGroup,"The molecule consists of 1 hydroxyl group, and 2 halo groups.",CCC[NH2+]CC(O)COc1c(I)cc(Cl)c2cccnc12
AddComponent,Add a hydroxyl to the molecule Cc1nc(NC(=O)c2cccc(Cl)c2)sc1Cc1ccc2c(c1)OCO2.,Cc1nc(NC(=O)c2cccc(Cl)c2O)sc1Cc1ccc2c(c1)OCO2
SubComponent,Please substitute a halo in the molecule Cc1cc(C)c(C(=O)Oc2nc(Cl)nc(Cl)n2)c(C)c1 with a carboxyl.,Cc1cc(C)c(C(=O)Oc2nc(Cl)nc(C(=O)[OH])n2)c(C)c1
DelComponent,Remove a O=c1[nH]c2ccc(S(=O)(=O)Cc3ccccc3)cc2c2cc[nH]c12 from the molecule benzene ring.,CS(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1
LogP,Modify the molecule CCCCCCOC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F to decrease its LogP value.,CC(=O)C(F)(COC(=O)C=CC(=O)OCCCCCC)C(F)(F)C(F)(F)C(F)F
MR,Optimize the molecule O=C(NCCCn1cccn1)c1cc([S-])ccc1Cl to have a higher MR value.,CC(=O)c1ccc([S-])cc1C(=O)NCCCn1cccn1
QED,Please modify the molecule CCC1CC(=O)N(Cc2ccc(NC(=O)c3ccc[nH]3)cc2)N=C1c1ccc(OC)c(OCF)c1 to decrease its QED value.,CCC1CC(=O)N(Cc2ccc(NC(=O)c3ccc[nH]3)cc2)N=C1c1ccc(OC)c(OCNO)c1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",C=C(C)COCCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1
BondNum,"Please generate a molecule composed of 13 single bonds, 4 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCC[NH+](Cc2ccccc2)C1
FunctionalGroup,"Please generate a molecule with 1 amine group, 3 halo groups, and 1 sulfone group.",CC(CC(F)(F)F)NS(=O)(=O)CCN1CC[NH2+]CC1
AddComponent,Modify the molecule OCCC1CCCC[NH+]1Cc1nc2cc(F)c(F)cc2[nH]1 by adding a hydroxyl.,OCCC1CCCC(O)[NH+]1Cc1nc2cc(F)c(F)cc2[nH]1
SubComponent,Modify the molecule nitrile by substituting a CCOC(=O)c1cc(C#N)c(=O)[nH]c1-c1cccnc1 with a aldehyde.,CC(=O)c1cc(C(=O)OCC)c(-c2cccnc2)[nH]c1=O
DelComponent,Remove a COc1cc(C(C)[NH+]2CCCC2(C)C(=O)[O-])ccc1O from the molecule hydroxyl.,COc1cccc(C(C)[NH+]2CCCC2(C)C(=O)[O-])c1
LogP,Please optimize the molecule [NH3+]CCC(OCC1CCCO1)C(=O)[O-] to have a lower LogP value.,[NH3+]CCC(OCC1OCCC1O)C(=O)[O-]
MR,Please optimize the molecule C=CCC1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCC1 to have a higher MR value.,C=CCC1(C(=O)Nc2cc(C(=O)[O-])ccc2O)CCC1
QED,Modify the molecule O=C(COC(=O)Cc1ccc(F)cc1)NC1CCCC1 to decrease its QED value.,O=C(COC(=O)Cc1ccc(F)cc1)NC1CCCC1C(=O)O
AtomNum,"Please generate a molecule with 27 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN(c2cccc(CC(=O)[O-])n2)CC3)cc1
BondNum,"The molecule consists of 10 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",CCC[NH+]1CNc2c(c(=O)[nH]c(=S)n2Cc2ccco2)C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 sulfide group.",Cc1ccccc1-c1csc2c(=O)n(C3=CC=CC=CC=C3)cnc12
AddComponent,Add a benzene ring to the molecule C[NH2+]C(CCCC(F)(F)F)c1cccc2c1OCCO2.,C[NH2+]C(CC(CC(F)(F)F)c1ccccc1)c1cccc2c1OCCO2
SubComponent,Modify the molecule halo by substituting a CC(CO)N(C)C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1 with a nitrile.,CC(CO)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2F)s1
DelComponent,Remove a amide from the molecule CC[NH2+]CCNC(=O)CCCOc1cccc(Br)c1.,CC[NH2+]CCCCOc1cccc(Br)c1
LogP,Please optimize the molecule CC(C)(C)c1nc(C#N)c2n1CCC([NH3+])C2 to have a lower LogP value.,CC(C)(C)c1nc(C(=O)[OH])c2n1CCC([NH3+])C2
MR,Please optimize the molecule COCCNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 to have a higher MR value.,COCCNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)c(C(=O)O)n1
QED,Please optimize the molecule O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C1CC[NH+](C2CCCCC2)CC1 to have a higher QED value.,O=C1C(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C1CC[NH+](C2CCCCC2)CC1
AtomNum,"The molecule is composed of 16 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, 3 chlorine atoms, and 1 bromine atom.",Nc1c(Cl)c(Cl)[nH+]c(C(=O)OCC(=O)NNC(=O)COc2ccc(Br)cc2)c1Cl
BondNum,"The molecule contains 9 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCCn1c(N)c(NC(C)c2ccc(C)s2)c(=O)[nH]c1=O
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 amide group.",Cc1cccc(NC(=O)c2ccnc(N3CCc4ccccc4C3)n2)c1
AddComponent,Add a aldehyde to the molecule CCN(CC)c1nccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1.,CCN(CC)c1ncc(CC=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1
SubComponent,Substitute a halo in the molecule CC(C)C[NH+](Cc1ccc(N)cc1F)C(C)C with a carboxyl.,CC(C)C[NH+](Cc1ccc(N)cc1C(=O)[OH])C(C)C
DelComponent,Please remove a CN(c1cc(N2CC[NH+](C)CC2)c(-c2cccc(Cl)c2)cc1F)c1ccnc2ccnn12 from the molecule halo.,CN(c1cc(N2CC[NH+](C)CC2)c(-c2ccccc2)cc1F)c1ccnc2ccnn12
LogP,Please optimize the molecule [O-][n+]1c(Br)cnc(Br)c1Br to have a lower LogP value.,CC(=O)c1cnc(Br)c(Br)[n+]1[O-]
MR,Modify the molecule O=C(CCC[NH+]1CCCCCCC1)c1ccc(Br)cc1 to increase its MR value.,O=C(CCC[NH+]1CCCCCCC1O)c1ccc(Br)cc1
QED,Modify the molecule CCN(C)CC[NH2+]Cc1ccc(OC)cc1O to decrease its QED value.,CC(=O)c1cc(OC)ccc1C[NH2+]CCN(C)CC
AtomNum,"There is a molecule with 14 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",Cc1cc(Nc2ncc(C(=O)NCCC[NH+](C)C)cn2)no1
BondNum,"The molecule consists of 12 single bonds, 8 rotatable bonds, and 5 aromatic bonds.",CCCC(C[NH2+]CC(C)C)Cc1ncnn1C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 2 amide groups.",CN1C(=O)N(CC(=O)N2CCCC2CCc2ccccc2)C(=O)C12CCCCC2
AddComponent,Modify the molecule O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)c1cccnc1N1CCCCC1 by adding a benzene ring.,O=C(Nc1cc2c(c(-c3ccccc3)c1)N(C(=O)Cc1ccccn1)CC2)c1cccnc1N1CCCCC1
SubComponent,Substitute a halo in the molecule CCC(C)NC(=O)c1cncc(C(=O)Nc2cccc(Cl)c2)c1 with a thiol.,CCC(C)NC(=O)c1cncc(C(=O)Nc2cccc(S)c2)c1
DelComponent,Please remove a amine from the molecule COc1ccc(C[NH+]=C(N)NCC(c2ccccc2)[NH+]2CCOCC2)cc1OC.,COc1ccc(CC(N)NCC(c2ccccc2)[NH+]2CCOCC2)cc1OC
LogP,Please modify the molecule Cc1c(Cl)cccc1NC(=O)C(=O)Nc1ccccc1[N+](=O)[O-] to decrease its LogP value.,Cc1c(Cl)cccc1NC(=O)C(=O)N[N+](=O)[O-]
MR,Modify the molecule CCC(C)CCCCCCCCCCC(=O)NC1CC(O)C([NH2+]CCN2CCOCC2)NC(=O)C2C(O)C(C)CN2C(=O)C(CO)NC(=O)C(C(O)C([NH2+]CCN2CCOCC2)c2ccc(O)cc2)NC(=O)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O to increase its MR value.,CCC(C)CCCCCCCCCCC(=O)NC1CC(O)C([NH2+]CCN2CCOC(O)C2)NC(=O)C2C(O)C(C)CN2C(=O)C(CO)NC(=O)C(C(O)C([NH2+]CCN2CCOCC2)c2ccc(O)cc2)NC(=O)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O
QED,Optimize the molecule COc1ccc(C[NH+]=C(N)Nc2ccccc2OC)cc1F to have a lower QED value.,COc1ccccc1NC(N)=[NH+]Cc1ccc(OC)c(C(=O)[OH])c1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",COCC(C)NC(=O)Nc1ccc(Br)cc1C(=O)[O-]
BondNum,"The molecule has 48 single bonds, 3 double bonds, and 23 rotatable bonds.",CC(C)CCCC(C)C1CCC2C3CC=C4CC(NC(=O)CCCCCCCCCCCCCCCCC=O)CCC4(C)C3CCC12C
FunctionalGroup,"The molecule has 1 amide group, 1 amine group, and 3 halo groups.",CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc3c(c2)CCCN3)CC1
AddComponent,Please add a amine to the molecule CCc1nc(C(C)Nc2nnc(CC)c(CC)n2)cs1.,CCc1nc(C(C)Nc2nnc(C(C)N)c(CC)n2)cs1
SubComponent,Modify the molecule hydroxyl by substituting a CCCCCC(O)Cc1cccc2ccc(OC)cc12 with a aldehyde.,CC(=O)C(CCCCC)Cc1cccc2ccc(OC)cc12
DelComponent,Remove a benzene ring from the molecule CC1COC(=O)N(c2ccccc2)C1.,CC1CNC(=O)OC1
LogP,Optimize the molecule CCc1ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c1 to have a lower LogP value.,CC(Cl)CO[Si](C)(C)C(C)(C)C
MR,Please modify the molecule CCc1ccc(CN(C)c2cc3[nH]cnc(=O)c3cc2[N+](=O)[O-])cc1 to decrease its MR value.,CCCN(C)c1cc2[nH]cnc(=O)c2cc1[N+](=O)[O-]
QED,Modify the molecule CC(C)(C)c1ccc(NC(=O)NC=Cc2cccc(Cl)c2)cc1 to decrease its QED value.,CC(=O)c1cccc(C=CNC(=O)Nc2ccc(C(C)(C)C)cc2)c1
AtomNum,"Please generate a molecule composed of 7 carbon atoms, 1 oxygen atom, and 3 fluorine atoms.",CC(F)C(O)C(F)C(C)CF
BondNum,"There is a molecule consisting of 14 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C[NH2+]C2C=CC(CO)C2)cc(C)c1OCc1ccccn1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 2 hydroxyl groups, and 1 nitrile group.",COC1(c2ccc(Cc3cc(C4CC(O)CC(CO)O4)ccc3C#N)cc2)CCCC1
AddComponent,Add a hydroxyl to the molecule Cc1cc(C)n(-c2cncc(NCCC(=O)N3CCCCC3)n2)n1.,Cc1cc(C)n(-c2cncc(NCC(O)C(=O)N3CCCCC3)n2)n1
SubComponent,Modify the molecule CCC(NN)c1ccc(C(F)(F)F)nc1 by substituting a halo with a thiol.,CCC(NN)c1ccc(C(F)(F)S)nc1
DelComponent,Please remove a COc1ccc(NC(=O)C=Cc2cc(Br)ccc2OC)cc1Cl from the molecule halo.,COc1ccc(NC(=O)C=Cc2cc(Br)ccc2OC)cc1
LogP,Please optimize the molecule COc1c(-c2ccccc2)nc2ccc(C)cc2c1C1=[NH+]CC2(CCCCc3ccccc32)N1 to have a higher LogP value.,COc1c(-c2ccccc2)nc2ccc(C)cc2c1C1CC2(CCCCc3ccccc32)N1
MR,Optimize the molecule CCC(=O)c1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 to have a lower MR value.,CCC(=O)c1cccc2c1C(=O)OC21c2ccccc2Oc2cc(O)ccc21
QED,Please optimize the molecule CCC1CN(c2cc(F)c(Br)cc2F)CC[NH2+]1 to have a higher QED value.,CC(=O)c1cc(N2CC[NH2+]C(CC)C2)c(F)cc1Br
AtomNum,"There is a molecule with 12 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",[NH3+]C1C2C[NH+](Cc3ccccc3O)CC12
BondNum,"There is a molecule composed of 31 single bonds, 3 double bonds, and 13 rotatable bonds.",CCCCCNC(=O)C1N(CCCCCO)C(=O)C2C(C(=O)NCCC)C3SC21CC3Br
FunctionalGroup,"There is a molecule with 3 ketone groups, 1 ester group, 1 halo group, and 1 sulfide group.",O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)s1
AddComponent,Add a amine to the molecule O=C([O-])c1ccc(C(=O)NC2CCCN(Cc3ccc(F)cc3F)C2=O)cc1.,NC1CC(NC(=O)c2ccc(C(=O)[O-])cc2)C(=O)N(Cc2ccc(F)cc2F)C1
SubComponent,Substitute a hydroxyl in the molecule CCCNC(=O)NCC1OC2CC(CC(=O)NCCOC)OC2C1O with a aldehyde.,CC(=O)C1C(CNC(=O)NCCC)OC2CC(CC(=O)NCCOC)OC21
DelComponent,Please remove a halo from the molecule Cc1ccc(F)cc1C(=O)Cc1ccc(Br)cc1Cl.,Cc1ccccc1C(=O)Cc1ccc(Br)cc1Cl
LogP,Modify the molecule O=C(CCN1CCSC1=O)NCc1ccc(-c2nc3ccccc3s2)o1 to increase its LogP value.,O=C1SCCN1CCc1ccc(-c2nc3ccccc3s2)o1
MR,Please optimize the molecule N#Cc1ccc(OC(F)(F)F)c([S-])c1S(=O)(=O)Cl to have a higher MR value.,N#Cc1ccc(OC(F)(F)C#N)c([S-])c1S(=O)(=O)Cl
QED,Modify the molecule CC(C)(C[NH2+]C1C=CCCC1)NS(C)(=O)=O to decrease its QED value.,CC(C)(C[NH2+]C1C=CC(C(=O)O)CC1)NS(C)(=O)=O
AtomNum,"The molecule consists of 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",O=C([O-])c1sc2ccccc2c1CSc1ccccn1
BondNum,"There is a molecule with 18 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1CC(=O)N(C2CCCC2)C1
FunctionalGroup,Please generate a molecule consisting and 1 ester group.,COC1CCCC(OC(=O)C2C[NH2+]CC2C)C1
AddComponent,Please add a thiol to the molecule Cn1cccc1C(=O)N1CC2(CC(OCc3ccccn3)CS2)C1.,Cn1cccc1C(=O)N1CC2(CC(OC(S)c3ccccn3)CS2)C1
SubComponent,Please substitute a nitrile in the molecule Cc1cc(O)ccc1NC(=O)C1CCN(CCC#N)CC1 with a nitro.,Cc1cc(O)ccc1NC(=O)C1CCN(CCNO)CC1
DelComponent,Please remove a amine from the molecule CCNC(=O)Cn1ncc(NC2CCC2)cc1=O.,CCNC(=O)Cn1ncc(C2CCC2)cc1=O
LogP,Optimize the molecule Cc1cc2c(Cl)nc(CCOCC(F)(F)F)nc2s1 to have a lower LogP value.,Cc1sc2nc(CCOCC(F)(F)F)nc(Cl)c2c1O
MR,Modify the molecule CCOC(=O)c1nc(C)c2c(c1-c1ccccc1C(=O)OC)CC(C(=O)OCC)(C(=O)OCC)C2 to decrease its MR value.,CCOC(=O)c1nc(C)c2c(c1C(=O)OC)CC(C(=O)OCC)(C(=O)OCC)C2
QED,Optimize the molecule CN1CCN(C(=O)CC[NH3+])Cc2ccccc21 to have a lower QED value.,CN1CCC(C[NH3+])c2ccccc21
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",Cc1cc(O)cc2c1CC(c1ccc(O)cc1)=C2c1ccsc1N
BondNum,"The molecule has 12 single bonds, 2 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(C(=O)CC(CC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 nitro group, 1 halo group, 1 thioether group, and 1 sulfide group.",O=[N+]([O-])C1=Cc2ccccc2SC1c1ccc(Br)cc1
AddComponent,Modify the molecule Cc1ccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCC(C)CC5)c4C)CC3)cc2C)cc1 by adding a nitrile.,Cc1ccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCC(C)CC5)c4C)CC3C#N)cc2C)cc1
SubComponent,Please substitute a CCc1cc(C(O)c2ccc3ccccc3c2)n(C)n1 in the molecule hydroxyl with a nitro.,CCc1cc(C(NO)c2ccc3ccccc3c2)n(C)n1
DelComponent,Remove a amine from the molecule CC(Sc1nnnn1C1CCCC1)C(C)C(=O)NN.,CC(Sc1nnnn1C1CCCC1)C(C)C(N)=O
LogP,Modify the molecule CC[NH2+]C(C)(C)c1nc(-c2ccccc2)n[nH]1 to decrease its LogP value.,CC[NH2+]C(C)(C)c1nc(-c2ccccc2O)n[nH]1
MR,Please optimize the molecule O=C([O-])c1ccc(CCCCCF)cc1C(=O)[O-] to have a higher MR value.,O=C([O-])c1ccc(CCCCCO)cc1C(=O)[O-]
QED,Modify the molecule CC[NH+]1CCN(c2c(C[NH2+]C(C)C)c(C)nn2-c2ccccc2)CC1 to decrease its QED value.,CC[NH+]1CCN(c2c(C[NH2+]C(C)(C)O)c(C)nn2-c2ccccc2)CC1
AtomNum,"Please generate a molecule consisting 5 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 chlorine atoms.",Cn1c(C=O)nc(Cl)c1Cl
BondNum,"The molecule contains 10 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1cc(C)cc(C)c1C([NH3+])CCc1cccc(C)c1
FunctionalGroup,The molecule has and 1 sulfide group.,CC(C)c1nnc2sc(-c3ccco3)nn12
AddComponent,Modify the molecule Cc1cccc(C)c1NC(=O)C(C)Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N by adding a thiol.,Cc1cccc(C)c1NC(=O)C(C)Sc1nc(-c2cc(S)cs2)cc(C(F)(F)F)c1C#N
SubComponent,Please substitute a CC([NH3+])C(=O)NC(C)c1cccc(O)c1 in the molecule hydroxyl with a carboxyl.,CC([NH3+])C(=O)NC(C)c1cccc(C(=O)[OH])c1
DelComponent,Modify the molecule amide by removing a Cc1csc(NC(=O)C2CCN(C(=O)c3sc(CC(C)C)nc3C)CC2)n1.,Cc1csc(NC(=O)C2CCC(c3(C)nc(CC(C)C)s-3)C2)n1
LogP,Modify the molecule CC(=O)OC(Cc1ccccc1)CC1CC[NH+](CC2CN(C(=O)c3ccc(Cl)c(Cl)c3)CC2c2ccsc2)CC1 to decrease its LogP value.,CC(=O)OC(Cc1ccccc1C(=O)O)CC1CC[NH+](CC2CN(C(=O)c3ccc(Cl)c(Cl)c3)CC2c2ccsc2)CC1
MR,Optimize the molecule C[NH+](C)CCN1C(=O)C(=Cc2ccc[nH]2)SC1=S to have a lower MR value.,C[NH+](C)CC1SC(=S)C1c1ccc[nH]1
QED,Optimize the molecule CC(=O)Nc1ccc(C(O)C(=NNC(=O)c2ccncc2)c2nc3ccc(Cl)cc3[nH]c2=O)cc1 to have a higher QED value.,CC(=O)Nc1ccc(C(O)C(=NNC(=O)c2ccncc2)c2nc3ccccc3[nH]c2=O)cc1
AtomNum,"There is a molecule with 18 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",C[NH+]=C(NCCCc1ccccc1)NCC(=O)N1CCCCC1
BondNum,"There is a molecule consisting of 19 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",CC1CC(C(=O)NC(C)c2nnc3n2CCCC3)CC(C)(C)C1
FunctionalGroup,There is a molecule composed of and 1 nitrile group.,COc1cc(C#N)cc2ccccc12
AddComponent,Please add a amine to the molecule Nc1noc(-c2ccc(I)cc2)c1-c1cc(F)cc(F)c1.,Nc1cc(-c2onc(N)c2-c2cc(F)cc(F)c2)ccc1I
SubComponent,Please substitute a halo in the molecule CC(O)(Cn1c2c(c3cc(C(F)(F)F)ccc31)C1CCC[NH+]1CC2)c1cccnc1 with a nitrile.,CC(O)(Cn1c2c(c3cc(C(F)(F)C#N)ccc31)C1CCC[NH+]1CC2)c1cccnc1
DelComponent,Remove a amine from the molecule Nc1nc2cc(C(=O)N3CCCC(Cn4cc(C(=O)[O-])nn4)C3)ccc2s1.,O=C([O-])c1cn(CC2CCCN(C(=O)c3ccc4scnc4c3)C2)nn1
LogP,Please modify the molecule CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(CCC(=O)N(C)C)cc2)cn1 to decrease its LogP value.,CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)NCCC(=O)N(C)C)cn1
MR,Please modify the molecule O=C([NH+]=C1[NH+]=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc([N+](=O)[O-])o1 to increase its MR value.,O=C([OH])C1=CN2Cc3ccccc3C(=[NH+]C(=O)c3ccc([N+](=O)[O-])o3)[NH+]=C2C=C1
QED,Modify the molecule CCCCCCCCOc1cc(OCCCCCCCC)cc(-c2c3nc(c(-c4ccc(C(=O)OC)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)OC)cc4)c4nc(c(-c5ccc(C(=O)OC)cc5)c5ccc2[nH]5)C=C4)C=C3)c1 to have a higher QED value.,CCCCCCCCOc1cc(OCCCCCCCC)cc(-c2c3nc(c(-c4ccc(C(=O)OC)cc4)c4ccc([nH]4)c(C(=O)OC)c4nc(c(-c5ccc(C(=O)OC)cc5)c5ccc2[nH]5)C=C4)C=C3)c1
AtomNum,"The molecule is composed of 16 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",O=C(NC1COc2ccc(Cl)cc21)C1CC12CC[NH2+]CC2
BondNum,"Please generate a molecule with 22 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",[NH3+]CCC(=O)NC(CC[NH+]1CC2CN(C(=O)c3c(F)cccc3Cl)CC2C1)c1ccccc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 2 halo groups.",CC1C[NH+](Cc2ccc(F)cc2)CCN1C(=O)C=Cc1ccc(Cl)cc1C#CC1(O)CCN(C(=O)OC(C)(C)C)CC1
AddComponent,Please add a hydroxyl to the molecule O=C(C=Cc1cccc(Cl)c1Cl)c1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc3ccc(F)cc3)n2)cc1.,O=C(C=Cc1cc(O)cc(Cl)c1Cl)c1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc3ccc(F)cc3)n2)cc1
SubComponent,Please substitute a hydroxyl in the molecule CCC1CCC(O)(C[NH2+]Cc2c(F)cccc2F)CC1 with a carboxyl.,CCC1CCC(C[NH2+]Cc2c(F)cccc2F)(C(=O)[OH])CC1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(Nc2nnc(SC(C)C(=O)Nc3ccccc3C(F)(F)F)s2)cc1C.,Cc1ccc(Nc2nnc(SC(C)C(=O)NC(F)(F)F)s2)cc1C
LogP,Please optimize the molecule NC(=O)C1C(=O)CC2Cc3cc4c(Cl)cc(C[NH3+])c(O)c4c([O-])c3C(=O)C2(O)C1=O to have a lower LogP value.,NC(=O)C1C(=O)CC2Cc3cc4ccc(C[NH3+])c(O)c4c([O-])c3C(=O)C2(O)C1=O
MR,Please modify the molecule CC([NH3+])C(=O)c1ccc(C#N)cc1 to increase its MR value.,CC(N)([NH3+])C(=O)c1ccc(C#N)cc1
QED,Please optimize the molecule COc1ccc2cc(C3(C)CCC[NH2+]C3)ccc2c1 to have a lower QED value.,COc1ccc2cc(C3(C)CCC(O)[NH2+]C3)ccc2c1
AtomNum,"There is a molecule consisting of 10 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 2 chlorine atoms.",CC(Cl)C(=O)Nc1cc2c(cc1Cl)OCO2
BondNum,"The molecule consists of 11 single bonds, 1 double bond, and 6 aromatic bonds.",c1ccc2c(c1)CC1C2CC2=[NH+]CCN21
FunctionalGroup,The molecule is composed of and 2 benzene ring groups.,Cc1cc(C)c(C[n+]2cn(CCCCn3c[n+](Cc4c(C)cc(C)cc4C)c4ccccc43)c3ccccc32)c(C)c1
AddComponent,Please add a hydroxyl to the molecule C[NH2+]CC1CCCN(c2nc3c(cc2C(N)=O)CCC3)C1.,C[NH2+]CC1CCC(O)N(c2nc3c(cc2C(N)=O)CCC3)C1
SubComponent,Please substitute a halo in the molecule COc1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(C)C(CCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)=C(C)C2=C3)cc1 with a carboxyl.,COc1ccc(-c2ccc3n2[B-](F)(C(=O)[OH])[N+]2=C(C)C(CCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)=C(C)C2=C3)cc1
DelComponent,Remove a amide from the molecule CC1[NH2+]C2(CC2)C(=O)N1CCOCC(F)(F)F.,CC[NH2+]CCCCOCC(F)(F)F
LogP,Optimize the molecule CCN(C(C)=O)C1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1O to have a lower LogP value.,CCN(C(C)=O)C1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1NO
MR,Modify the molecule Cc1ccc(NC(=O)COC2CCCCCC2)cc1N to have a higher MR value.,Cc1ccc(NC(=O)COC2CCCCCC2)c(-c2ccccc2)c1N
QED,Please modify the molecule Cc1ccccc1C(=O)Nc1ccc(NC2CC2)nc1 to decrease its QED value.,Cc1c(O)cccc1C(=O)Nc1ccc(NC2CC2)nc1
AtomNum,"The molecule contains 10 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccsc1C1CN(CCO)C(=O)N1
BondNum,"There is a molecule composed of 6 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(OCc2ccccn2)c(CCl)n1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, 1 halo group, and 1 sulfide group.",CC(C)(C)OC(=O)N(CC1CC1)C(c1nc2ccccc2s1)C(O)c1cccc(Cl)c1
AddComponent,Please add a hydroxyl to the molecule CCOc1ccccc1NC(=O)CC1C(=O)Nc2c(-c3ccc(C)cc3)cnn21.,CCOc1ccccc1NC(=O)CC1C(=O)Nc2c(-c3ccc(C)cc3)c(O)nn21
SubComponent,Substitute a O=C([O-])c1ccc(CNC(=O)N2CCN(c3cccc(F)c3F)CC2)cc1 in the molecule halo with a hydroxyl.,O=C([O-])c1ccc(CNC(=O)N2CCN(c3cccc(O)c3F)CC2)cc1
DelComponent,Remove a benzene ring from the molecule CC(CC[NH3+])CCc1c(F)cccc1Cl.,CC(CC[NH3+])CC(F)Cl
LogP,Optimize the molecule [C-]#[N+]c1c(C)cc(=O)n(CC[NH2+]CCn2c([O-])c(C#N)c(C)cc2=O)c1[O-] to have a higher LogP value.,[C-]#[N+]c1c(C)cc(=O)n(CC[NH2+]CCn2c([O-])cc(C)cc2=O)c1[O-]
MR,Modify the molecule ClCc1ccc(Br)cc1CBr to have a higher MR value.,Oc1cc(CCl)c(CBr)cc1Br
QED,Please optimize the molecule Cc1ccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C(C)C)cc1 to have a higher QED value.,Cc1ccc(Sc2nc3nc(N4CCCC4)sc3c(=O)n2C(C)C)cc1
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1
BondNum,"Please generate a molecule consisting 11 single bonds, 3 double bonds, 8 rotatable bonds, and 16 aromatic bonds.",C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2sccc2c1=O
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amine groups.",COc1cccc(C(C)NN2CCCCC2)c1N
AddComponent,Modify the molecule CCC[NH+](CCC)CCCC(C)(O)C[NH3+] by adding a amine.,CCC[NH+](CCC)CC(N)CC(C)(O)C[NH3+]
SubComponent,Substitute a halo in the molecule CC(NS(=O)(=O)c1ccc(Br)cc1Br)C1CCCC1 with a nitro.,CC(NS(=O)(=O)c1ccc(NO)cc1Br)C1CCCC1
DelComponent,Remove a CC[NH2+]CCC(=O)N(C)Cc1nc2ccccc2s1 from the molecule amide.,CC[NH2+]CC(C)c1nc2ccccc2s1
LogP,Modify the molecule COc1cc(CNNc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OC)c1OC to have a lower LogP value.,COc1cc(CNNc2nc(-c3ccccc3)cs2)cc(OC)c1OC
MR,Please optimize the molecule Nc1cc(-c2nc(C3CCC3)no2)ccc1F to have a higher MR value.,Nc1cc(-c2nc(C3CCC3)no2)c(-c2ccccc2)cc1F
QED,Modify the molecule CC1=[N+](C)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2C1C to decrease its QED value.,CC1=[N+](C)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2C1(C)O
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC1COCCC1C(=O)N(CCC(=O)[O-])C1CC1
BondNum,"Please generate a molecule composed of 11 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",COc1c(Br)cc(C=NNC(=O)COc2cc(C)on2)cc1Br
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 ketone group.",CC(=O)C(=C=N)c1c(C)cc(C)cc1C
AddComponent,Please add a hydroxyl to the molecule c1c(N2CC(C[NH2+]C3CN4CCC3CC4)C2)nnc2c1CCCC2.,OC1([NH2+]CC2CN(c3cc4c(nn3)CCCC4)C2)CN2CCC1CC2
SubComponent,Modify the molecule halo by substituting a FC(F)C(F)C(F)C(Br)Br with a nitrile.,N#CC(F)C(F)C(F)C(Br)Br
DelComponent,Remove a CC(C)[NH+](CCO)CCn1cc(N)cn1 from the molecule hydroxyl.,CC[NH+](CCn1cc(N)cn1)C(C)C
LogP,Optimize the molecule O=C([O-])c1cccc(N2CCC(C3C(=O)Nc4cc(Cl)ccc43)CC2)n1 to have a lower LogP value.,O=C([OH])c1ccc2c(c1)NC(=O)C2C1CCN(c2cccc(C(=O)[O-])n2)CC1
MR,Please modify the molecule C[NH2+]C(c1ccc(OC)cc1)C(C)N1CCCC1C to increase its MR value.,C[NH2+]C(c1ccc(OC)cc1)C(C)N1CCCC1Cc1ccccc1
QED,Optimize the molecule Cc1nc(Nc2ccc(Cl)cc2Cl)cc(C(=O)NCc2ccncc2)n1 to have a lower QED value.,CC(=O)c1ccc(Nc2cc(C(=O)NCc3ccncc3)nc(C)n2)c(Cl)c1
AtomNum,"Please generate a molecule composed of 24 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COc1ccccc1C1=C(Nc2cccc(C)c2C)C(=O)N(Cc2ccco2)C1=O
BondNum,"There is a molecule with 18 single bonds, 2 double bonds, 12 rotatable bonds, and 35 aromatic bonds.",CCCCCCc1ccc2c3cccc4c(CCCCCCN5C(=O)c6cccc7c(Br)ccc(c67)C5=O)ccc(c5cccc1c25)c43
FunctionalGroup,"Please generate a molecule composed of 1 aldehyde group, 1 halo group, and 1 sulfone group.",O=CCC1(F)CCS(=O)(=O)CC1
AddComponent,Modify the molecule CCOC(CNC(=O)c1cc(Cl)nc(C(C)C)c1)OCC by adding a hydroxyl.,CCOC(CNC(=O)c1cc(Cl)nc(C(C)C)c1)OC(C)O
SubComponent,Please substitute a halo in the molecule COc1cc(CCl)c2cc(O)sc2c1 with a hydroxyl.,COc1cc(CO)c2cc(O)sc2c1
DelComponent,Modify the molecule amide by removing a CCOc1ccc(NCCC(=O)Nc2ccccc2OC(C)C)cc1.,CCOc1ccc(NCc2ccccc2OC(C)C)cc1
LogP,Please optimize the molecule CCN(CC(F)(F)F)c1ncncc1Br to have a lower LogP value.,CCN(CC(F)F)c1ncncc1Br
MR,Optimize the molecule CC1(C)C(O)CC1NS(=O)(=O)N1CC[NH2+]CC1 to have a higher MR value.,CC1(C)C(C#N)CC1NS(=O)(=O)N1CC[NH2+]CC1
QED,Please modify the molecule CC(C)(C)OC(=O)NCC=C=CF to decrease its QED value.,CC(C)(C)OC(=O)NCC=C=CC#N
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCc1ccc(COc2ccccc2C=Cc2nc(C)nc(C)n2)cc1
BondNum,"There is a molecule composed of 15 single bonds, 1 double bond, and 11 rotatable bonds.",O=C(CCl)CCCCCCCCC[Si](Cl)(Cl)Cl
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 5 amide groups.",CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)Oc1ccc(CC(C(=O)NC2CCCCC3CCC(C(=O)NC(CCC(N)=O)C(=O)NCc4ccccc4)N3C2=O)[NH+](C)C)cc1
AddComponent,Please add a benzene ring to the molecule CNc1cnccc1C(=O)N1CCCC(C)CC1.,CNc1c(C(=O)N2CCCC(C)CC2)ccnc1-c1ccccc1
SubComponent,Substitute a halo in the molecule CS(=O)(=O)NC1CCCCC1NN(C(c1ccccc1)C([NH3+])c1ccccc1)S(=O)(=O)C(Cl)(Cl)Cl with a nitro.,CS(=O)(=O)NC1CCCCC1NN(C(c1ccccc1)C([NH3+])c1ccccc1)S(=O)(=O)C(Cl)(Cl)NO
DelComponent,Please remove a benzene ring from the molecule c1ccc(-c2oc3cc4c(cc3c2-c2ccc(OCC[NH+]3CCCC3)cc2)CCC4)cc1.,c1ccc(-c2oc3cc4c(cc3c2OCC[NH+]2CCCC2)CCC4)cc1
LogP,Please optimize the molecule CSCCC(C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 to have a higher LogP value.,CSCCC(C)(C#N)CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2
MR,Optimize the molecule Cc1c(C(=O)NC(c2cccc(F)c2)C2CCC2)c(C)n(Cc2ncco2)c(=O)c1Br to have a lower MR value.,Cc1c(Br)c(=O)n(Cc2ncco2)c-1(C)C(c1cccc(F)c1)C1CCC1
QED,Modify the molecule COC(=O)C1CN(C2CCCCC2)C(=O)C1Cc1c(Cl)cccc1Cl to have a higher QED value.,COC(=O)C1CN(C2CCCCC2)C(=O)C1Cc1c(Cl)cccc1C(=O)[OH]
AtomNum,"There is a molecule composed of 19 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCCCC(CC)CNC(=O)Cn1cnc2sc3c(c2c1=O)CCC3
BondNum,"There is a molecule consisting of 14 single bonds, 8 rotatable bonds, and 6 aromatic bonds.",CCCC(CCC)(C[NH2+]C1CC1)c1ccccc1F
FunctionalGroup,The molecule contains and 1 amine group.,Cc1nccnc1NCc1ccn(C)n1
AddComponent,Add a carboxyl to the molecule CCCC1CCC(CCO)(C(C)[NH3+])CC1.,CCCC1(C(=O)O)CCC(CCO)(C(C)[NH3+])CC1
SubComponent,Please substitute a CC1Oc2cc(N)ccc2N(Cc2cccc(Br)c2)C1=O in the molecule halo with a nitro.,CC1Oc2cc(N)ccc2N(Cc2cccc(NO)c2)C1=O
DelComponent,Modify the molecule benzene ring by removing a c1ccc(N=c2[nH]c3ccccc3n2-c2cccc3oc4ccc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c23)cc1.,N=c1[nH]c2ccccc2n1-c1cccc2oc3ccc(-c4ccc5sc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)cc3c12
LogP,Optimize the molecule C[NH+]=C(N)Nc1nc2cc(Cl)c(S(N)(=O)=O)cc2[nH]1 to have a lower LogP value.,C[NH+]=C(N)Nc1nc2ccc(S(N)(=O)=O)cc2[nH]1
MR,Please optimize the molecule COc1ccc(CCNC(=O)C(C)(C)C(=O)Nc2ccc(Cl)cc2)cc1 to have a lower MR value.,COc1ccc(CCNC(=O)C(C)(C)C(=O)Nc2ccc(O)cc2)cc1
QED,Please modify the molecule Cc1ccc(CN2CCN(C(=O)c3ccc(N4CCCC4)cc3)CC2=O)cc1 to increase its QED value.,CCN1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1=O
AtomNum,"There is a molecule composed of 14 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",Cc1c(C(=O)[NH+]=C(N)N)cc(S(C)(=O)=O)c(-n2ccnc2)c1C
BondNum,"The molecule is composed of 30 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",O=C(CC1CCOCC1)NC1CCC(CC[NH+]2CCN(c3nccc4c3OCC4)CC2)CC1
FunctionalGroup,There is a molecule consisting of and 1 amine group.,CCCC(=[NH2+])N(C)C(C)C(C)C
AddComponent,Modify the molecule COc1cc(CN(C(=O)Cc2nc(-c3ccccc3)oc2C)C2CC2)ccc1OC(F)F by adding a hydroxyl.,COc1cc(CN(C(=O)Cc2nc(-c3ccccc3)oc2C)C2CC2O)ccc1OC(F)F
SubComponent,Please substitute a hydroxyl in the molecule NC(=O)Cn1ccc2c(OC3CC[NH+](CC4(O)CCCOC4)CC3)cccc21 with a nitrile.,N#CC1(C[NH+]2CCC(Oc3cccc4c3ccn4CC(N)=O)CC2)CCCOC1
DelComponent,Modify the molecule amine by removing a NNC(Cc1ccn(C2CCCC2)n1)c1cc(Br)sc1Br.,NC(Cc1ccn(C2CCCC2)n1)c1cc(Br)sc1Br
LogP,Modify the molecule Cc1ccc(S(=O)(=O)n2cc(-c3cccc(S(C)(=O)=O)c3)c3cc(Br)cnc32)cc1 to have a lower LogP value.,Cc1ccc(S(=O)(=O)n2cc(-c3cccc(S(C)(=O)=O)c3)c3cc(C(=O)[OH])cnc32)cc1
MR,Please modify the molecule COc1ccc(N2CC=C3CC(=O)CCC3(Cc3ccccc3)C2)cc1 to decrease its MR value.,COc1ccc(N2CC=C3CC(=O)CCC3(C)C2)cc1
QED,Optimize the molecule CCn1c(=O)c2ccccc2c2cc(Br)ccc21 to have a lower QED value.,CCn1c(=O)c2ccccc2c2ccccc21
AtomNum,"There is a molecule composed of 18 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 2 sulfur atoms.",CNC(=O)NSc1ccc(-c2nnc(SCc3ccccc3)n2C)cc1
BondNum,"There is a molecule consisting of 8 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",COc1cccc(NC(=O)c2nc(NN)ccc2Cl)c1
FunctionalGroup,"There is a molecule consisting of 1 amide group, and 1 sulfide group.",C#CCNC(=O)Cc1csc(C(C)C)n1
AddComponent,Add a hydroxyl to the molecule Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)cc2)cc1.,Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)c(O)c2)cc1
SubComponent,Please substitute a hydroxyl in the molecule O=C([O-])c1c(Cc2ccc3cc(O)ccc3c2C(=O)[O-])ccc2cc(O)ccc12 with a thiol.,O=C([O-])c1c(Cc2ccc3cc(S)ccc3c2C(=O)[O-])ccc2cc(O)ccc12
DelComponent,Modify the molecule amide by removing a CC(=O)c1ccccc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1.,CC(=O)c12ccccC1C[NH+](Cc1cccc(O)c1)CC2
LogP,Please modify the molecule Cc1c(Cl)cc2c(c1Cl)Oc1c(cc(Cl)c(C)c1Cl)S2 to decrease its LogP value.,Cc1ccc2c(c1Cl)Oc1c(cc(Cl)c(C)c1Cl)S2
MR,Optimize the molecule C=CCN(c1ccccc1C(=C)OP(=O)(OCC)OCC)S(=O)(=O)c1ccc(C)cc1 to have a higher MR value.,C=CCN(c1ccc(O)cc1C(=C)OP(=O)(OCC)OCC)S(=O)(=O)c1ccc(C)cc1
QED,Modify the molecule COc1cc(S(=O)(=O)NCC(O)C2CC2)ccc1N to increase its QED value.,COc1cccc(S(=O)(=O)NCC(O)C2CC2)c1
AtomNum,"The molecule consists of 18 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 4 fluorine atoms.",COc1cc(F)c(Nc2nc(=O)cnn2Cc2cc(F)c(F)c(F)c2)cc1OC
BondNum,"The molecule has 8 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC[NH2+]C(c1ccc(F)cc1)c1cc(Br)ccc1Br
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 hydroxyl group.",COc1ccc(NC(=O)N(C)CCO)cc1OC
AddComponent,Please add a benzene ring to the molecule COCCCCNC(=O)C1(F)CC[NH2+]C1.,COC(CCCNC(=O)C1(F)CC[NH2+]C1)c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cc1c(S(N)(=O)=O)cc(C#N)nc1C(F)F with a thiol.,Cc1c(S(N)(=O)=O)cc(C#N)nc1C(F)S
DelComponent,Please remove a amide from the molecule CN(CC(=O)NC(c1cccs1)C(C)(C)C)S(=O)(=O)c1cccnc1.,CN(C(c1cccs1)C(C)(C)C)S(=O)(=O)c1cccnc1
LogP,Optimize the molecule COC(=O)C1Cc2ccccc2C(=O)N1c1cccc(Cl)c1 to have a lower LogP value.,COC(=O)C1Cc2ccccc2C(=O)N1c1cccc(O)c1
MR,Modify the molecule CC(=O)N(CC(=O)NC(C)(C)C)c1ccc(F)cc1 to have a lower MR value.,CC(=O)N(F)CC(=O)NC(C)(C)C
QED,Please modify the molecule CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[NH+]3CCCC3(C)C(N)=O)CSC12)c1nsc(N)n1 to decrease its QED value.,CON=C(C(=O)NC1(c2ccccc2)C(=O)N2C(C(=O)[O-])=C(C[NH+]3CCCC3(C)C(N)=O)CSC21)c1nsc(N)n1
AtomNum,"The molecule contains 11 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",CC(CNC(=O)c1c(F)cc(F)cc1F)C(=O)[O-]
BondNum,"There is a molecule with 19 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",c1ccc2c(c1)CCC13CCCC21CC[NH+](CC1CC1)C3
FunctionalGroup,The molecule consists of and 1 sulfide group.,C[NH+](C)CC1CCCN1CC[NH2+]CCc1ccsc1
AddComponent,Please add a benzene ring to the molecule O=[N+]([O-])C1=c2ccc([nH]2)=C([N+](=O)[O-])c2ccc([nH]2)C([N+](=O)[O-])=c2[nH]c(cc2[N+](=O)[O-])=C(c2ccccc2)c2ccc1[nH]2.,O=[N+]([O-])C1=c2cc(-c3ccccc3)c([nH]2)=C([N+](=O)[O-])c2ccc([nH]2)C([N+](=O)[O-])=c2[nH]c(cc2[N+](=O)[O-])=C(c2ccccc2)c2ccc1[nH]2
SubComponent,Please substitute a NC(N)=[NH+]CCCC([NH3+])C(=O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl in the molecule halo with a carboxyl.,NC(N)=[NH+]CCCC([NH3+])C(=O)Oc1cc(C(=O)[OH])ccc1Oc1ccc(Cl)cc1Cl
DelComponent,Remove a O=C(NC(Cc1cc(=O)oc2c(CF)c(O[P+]([O-])(O)OCc3ccccc3[N+](=O)[O-])ccc12)C(=O)[O-])OCC1c2ccccc2-c2ccccc21 from the molecule halo.,Cc1c(O[P+]([O-])(O)OCc2ccccc2[N+](=O)[O-])ccc2c(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])cc(=O)oc12
LogP,Modify the molecule CCCC1(O)CN(c2nccc(C)c2C#N)C1 to have a higher LogP value.,CCCC1CN(c2nccc(C)c2C#N)C1
MR,Optimize the molecule CCCCCC1CCC(C2CCC(C(F)(F)Oc3ccc(-c4ccc(C)c(C(F)F)c4F)cc3)CC2)CC1 to have a higher MR value.,CCCCCC1CCC(C2CCC(C(F)(S)Oc3ccc(-c4ccc(C)c(C(F)F)c4F)cc3)CC2)CC1
QED,Modify the molecule COC(=O)CNC(=O)C(C(C)C)(C(C)C)N(Cc1ccccc1)C(=O)C(CC(C)C)NC(=O)OCc1ccccc1 to have a lower QED value.,COC(=O)CNC(=O)C(C(C)C)(C(C)C)N(Cc1ccccc1)C(=O)C(CC(C)CCC=O)NC(=O)OCc1ccccc1
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 1 oxygen atom, and 7 nitrogen atoms.",CCNc1nc(OCC)nc(-n2nc(C)nc2C)n1
BondNum,"There is a molecule composed of 14 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CC[NH+](CC(=O)Nc1ccccc1OC)C(C)C(=O)Nc1ccc(Br)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amine group.",CC=CC=NNc1ccccc1
AddComponent,Modify the molecule Cc1cc(OCCCCn2c(CCCCCNC(=O)C3CCCO3)nc3ccccc32)ccc1Cl by adding a aldehyde.,Cc1cc(OCCCCn2c(CCCCC(CC=O)NC(=O)C3CCCO3)nc3ccccc32)ccc1Cl
SubComponent,Please substitute a hydroxyl in the molecule Cc1ccc(C2=C(SCCO)C(=O)N(c3ccc(N4CCCC4)cc3)C2=O)cc1C with a thiol.,Cc1ccc(C2=C(SCCS)C(=O)N(c3ccc(N4CCCC4)cc3)C2=O)cc1C
DelComponent,Remove a halo from the molecule CC(C(=O)[O-])C(C)c1csc(Cl)c1.,CC(C(=O)[O-])C(C)c1ccsc1
LogP,Please modify the molecule CC(O)C(C)Nc1ccc2c(c1)OCCO2 to increase its LogP value.,CCC(C)Nc1ccc2c(c1)OCCO2
MR,Modify the molecule CC(C)[NH+]1CCC(NC(=O)CC[NH2+]C2CC2)CC1 to decrease its MR value.,CC(C)[NH+]1CCC(C[NH2+]C2CC2)CC1
QED,Please optimize the molecule N=c1oc2c(O)cccc2cc1C(=O)NCCCCCNC(=O)c1cc2cccc(O)c2oc1=N to have a lower QED value.,N=c1oc2c(O)cccc2cc1C(=O)NCCCCCNC(=O)c1cc2c(CC=O)ccc(O)c2oc1=N
AtomNum,"Please generate a molecule composed of 30 carbon atoms, 5 oxygen atoms, and 2 nitrogen atoms.",Cc1c(CCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c(=O)oc2cc3oc4c(c3cc12)CCCC4
BondNum,"Please generate a molecule composed of 12 single bonds, 2 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",COC(=O)c1sc(NC(=O)CCCOc2cccc(C)c2)cc1C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",[O-]P([O-])(O)(Br)Cc1ccccc1
AddComponent,Please add a benzene ring to the molecule COC(=O)Nc1ccc(C(=O)NC(CC(C)(C)OC)C(=O)N2CCCC3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)cc1.,COC(=O)Nc1ccc(C(=O)NC(CC(C)(C)OC)C(=O)N2CC(c3ccccc3)CC3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)cc1
SubComponent,Please substitute a CC(=O)OCC1OC(OC(C)=O)C(C#N)C(OC(C)=O)C1OC(C)=O in the molecule nitrile with a halo.,CC(=O)OCC1OC(OC(C)=O)C(Cl)C(OC(C)=O)C1OC(C)=O
DelComponent,Please remove a amide from the molecule CCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2c(CC)noc2C)CC1.,CCNC(=O)OC1CCC(Cc2(OC)cccc-2)(c2c(CC)noc2C)CC1
LogP,Optimize the molecule CCNC(=O)C1(Cc2ccccc2-c2ccc(C)cc2C)CCOCC1 to have a lower LogP value.,CCNC(=O)C1(Cc2ccc(O)cc2-c2ccc(C)cc2C)CCOCC1
MR,Please modify the molecule Cc1ccc(CC([NH3+])c2ccc(C(F)(F)F)cc2)cc1C to increase its MR value.,Cc1ccc(CC([NH3+])c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)c1C
QED,Optimize the molecule COC1(c2ccccc2)Oc2ccccc2C(O)C1Br to have a lower QED value.,COC1(c2ccccc2)Oc2ccccc2C(O)C1NO
AtomNum,"Please generate a molecule with 22 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CCCOCc1ccccc1C[NH+]=C(NCC)NC1C[NH+](C(C)C)CC1C
BondNum,"There is a molecule with 12 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",Cc1cc(Cl)ccc1OCC(=O)NCC1(c2ccccc2)CC1
FunctionalGroup,Please generate a molecule consisting and 2 ester groups.,C=C(OC(=O)C(=C)C(C1CCCCCCCCC1)(C1CCCCCCCCC1)C1CCCCCCCCC1)C(=O)OC(C)OC
AddComponent,Modify the molecule CCC(O)CC(=O)OC(CC)C(C=C(C)C=CC(=O)C(C)CC(C)COC1OC(C)C(O)C([NH+](C)C)C1O)COC1OC(C)CC(OC)C1OC by adding a benzene ring.,CCC(O)CC(=O)OC(CC)C(C=C(C)C=C(C(=O)C(C)CC(C)COC1OC(C)C(O)C([NH+](C)C)C1O)c1ccccc1)COC1OC(C)CC(OC)C1OC
SubComponent,Substitute a halo in the molecule CCc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2NCc2ccccc2)cc1 with a carboxyl.,CCc1ccc(S(=O)(=O)c2nc(-c3ccc(C(=O)[OH])cc3)oc2NCc2ccccc2)cc1
DelComponent,Please remove a halo from the molecule CC1CC1C(=O)Nc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1.,CC1CC1C(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1
LogP,Please modify the molecule Cc1cc2c(o1)C(OP)[NH+]=CN2 to decrease its LogP value.,Cc1cc2c(o1)C(OP)[NH+]=C2
MR,Optimize the molecule COC(=O)c1ccccc1NC1=C(Sc2ccc(C)cc2)C(=O)N(c2ccc(F)cc2)C1=O to have a higher MR value.,CC(=O)c1ccc(N2C(=O)C(Nc3ccccc3C(=O)OC)=C(Sc3ccc(C)cc3)C2=O)cc1
QED,Modify the molecule [NH3+]CC1c2cc(Cl)ccc2-c2ccc(Cl)cc21 to have a higher QED value.,CC(=O)c1ccc2c(c1)C(C[NH3+])c1cc(Cl)ccc1-2
AtomNum,"The molecule consists of 27 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",O=C(NCc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1ccccc1)c1cccc(F)c1
BondNum,"There is a molecule composed of 15 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)[NH2+]Cc1ccc(N(CCO)CC(F)F)c(Br)c1
FunctionalGroup,Please generate a molecule composed of and 1 ester group.,CCOC(=O)Cc1c(C)[nH]c2c1COCC2
AddComponent,Modify the molecule COCCC1(c2ccc(Nc3nc(-c4c(F)cccc4F)[nH]c4c[nH]c(=O)c3-4)cc2)CCN(C)C1=O by adding a carboxyl.,COCCC1(c2ccc(Nc3nc(-c4c(F)cccc4F)[nH]c4c(C(=O)O)[nH]c(=O)c3-4)cc2)CCN(C)C1=O
SubComponent,Substitute a halo in the molecule CN1CCC(c2ccc(Cl)cc2)C(=O)C1=O with a thiol.,CN1CCC(c2ccc(S)cc2)C(=O)C1=O
DelComponent,Please remove a amide from the molecule CC(=O)OCC(=O)CCCCCCCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C.,CC(=O)OCC(=O)CCCCCCCNC(=O)c1c(C)[nH]c(Cc2ccc(F)cc2)c1C
LogP,Please optimize the molecule COCCCNC(=S)N1CC(CO)OCC1C to have a higher LogP value.,COCCCNC(=S)N1CC(CS)OCC1C
MR,Optimize the molecule CCNc1ccccc1S(=O)(=O)N1CCS(=O)(=O)CC1C to have a lower MR value.,CCNS(=O)(=O)N1CCS(=O)(=O)CC1C
QED,Optimize the molecule CCN(CCC(=O)[O-])c1nnc2ccccc2n1 to have a lower QED value.,CCN(CC(C(=O)[O-])c1ccccc1)c1nnc2ccccc2n1
AtomNum,"Please generate a molecule consisting 52 carbon atoms, 11 oxygen atoms, and 14 nitrogen atoms.",CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C[NH3+])C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)N1CCCC1C(=O)NC(C)C(=O)[O-]
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(Nc2cccc(C(=O)NC(CO)CC(C)(C)C)c2)nn1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, and 1 ketone group.",COc1cccc(CC(=O)C(c2ccccc2NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)C2CC[NH2+]CC2)c1OC
AddComponent,Add a benzene ring to the molecule CC(O)C(C)(C)[NH2+]CC1CCC(C(=O)[O-])O1.,CC(C)([NH2+]CC1CCC(C(=O)[O-])O1)C(O)Cc1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(Cc1csc(COc2ccc(F)cc2)n1)Nc1ccc(N2CCCC2=O)cc1 with a hydroxyl.,O=C(Cc1csc(COc2ccc(O)cc2)n1)Nc1ccc(N2CCCC2=O)cc1
DelComponent,Please remove a hydroxyl from the molecule C[NH+]1CCC23Cc4[nH]c(=O)c(C(=O)[O-])cc4CC2(O)C1Cc1ccc(O)cc13.,C[NH+]1CCC23Cc4[nH]c(=O)c(C(=O)[O-])cc4CC2(O)C1Cc1ccccc13
LogP,Please modify the molecule CCCc1nc(C)n(-c2ccc(OC3CCCC(O)CC3)cc2)c(=O)c1Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1 to decrease its LogP value.,CCCc1nc(C)n(-c2ccc(OC3CCCC(O)CC3)cc2O)c(=O)c1Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1
MR,Optimize the molecule C=CCN(CC=C)C(=O)CSc1nc2ccccc2c(=O)n1C to have a lower MR value.,C=CC[SH](CC=C)c1nc2ccccc2c(=O)n1C
QED,Optimize the molecule O=C([O-])C1CCC(CN2C(=O)CCCc3ccccc32)O1 to have a higher QED value.,O=C([O-])C1CCC(C(C(=O)O)N2C(=O)CCCc3ccccc32)O1
AtomNum,"The molecule contains 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",Cc1c(CNC(=O)c2cccnc2Cl)cccc1[N+](=O)[O-]
BondNum,"There is a molecule consisting of 7 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",CNc1ccc(C(=O)Nc2cccc(C)n2)c(C)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 sulfone group.",CN1C=CC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C2=NCC(S(=O)(=O)c3ccccc3)=C21
AddComponent,Add a aldehyde to the molecule COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2)CC1.,COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2)CC1CC=O
SubComponent,Substitute a hydroxyl in the molecule COC1(c2ccc(C)c(Cc3ccc(O[Si](C)(C)C(C)(C)C)cc3)c2)OC(CO)C(O)C(O)C1O with a thiol.,COC1(c2ccc(C)c(Cc3ccc(O[Si](C)(C)C(C)(C)C)cc3)c2)OC(CS)C(O)C(O)C1O
DelComponent,Remove a benzene ring from the molecule CC(c1ccc(Br)cc1)[NH+]1CCN(CCCO)CC1.,CC(Br)[NH+]1CCN(CCCO)CC1
LogP,Please modify the molecule OCCNc1nc(Cl)nc2c1CCC2 to decrease its LogP value.,OCCNc1nc(S)nc2c1CCC2
MR,Please optimize the molecule Cc1ccccc1OCC(=O)NC(C)(C#N)C(C)C to have a higher MR value.,Cc1ccc(-c2ccccc2)cc1OCC(=O)NC(C)(C#N)C(C)C
QED,Modify the molecule CON=C(C)C1(N(O)C(=O)OC(C)(C)C)C(=O)NN=C1C(C)(C)C to have a higher QED value.,CON=C(C)C1(N(Cl)C(=O)OC(C)(C)C)C(=O)NN=C1C(C)(C)C
AtomNum,"Please generate a molecule composed of 9 carbon atoms, and 3 nitrogen atoms.",CCCCc1ncc(C[NH3+])cn1
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",CNc1cc(COc2ccccc2OC)ccc1[N+](=O)[O-]
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 2 amide groups, and 1 amine group.",CC(=O)N(C)c1ccc(NCC(=O)NCCc2ccccc2)cc1
AddComponent,Please add a carboxyl to the molecule CCN(c1nccc(C(=O)[O-])c1F)C1CCCCC1.,CCN(c1ncc(C(=O)O)c(C(=O)[O-])c1F)C1CCCCC1
SubComponent,Substitute a [C-]#[N+]c1ccc2[nH]cc(C3CC3C[NH2+]CCc3ccc(F)cc3)c2c1 in the molecule halo with a nitro.,[C-]#[N+]c1ccc2[nH]cc(C3CC3C[NH2+]CCc3ccc(NO)cc3)c2c1
DelComponent,Modify the molecule halo by removing a CC(NC(=O)CCCOc1ccc(F)cc1F)c1ccc(Cl)s1.,CC(NC(=O)CCCOc1ccccc1F)c1ccc(Cl)s1
LogP,Modify the molecule Cc1sc2nc(C3CC3C)nc(NN)c2c1C to increase its LogP value.,Cc1sc2nc(C3CC3C)nc(N)c2c1C
MR,Modify the molecule CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(C)o2)c2ccc(C)cc2)cc1 to decrease its MR value.,CCOS(=O)(=O)N(CC(=O)NN=Cc1cc(Br)c(C)o1)c1ccc(C)cc1
QED,Please modify the molecule COc1ccccc1CCn1ccc2nc3ccn(Cc4ccc5c(c4)OCCO5)c(=O)c3cc2c1=O to increase its QED value.,COCCn1ccc2nc3ccn(Cc4ccc5c(c4)OCCO5)c(=O)c3cc2c1=O
AtomNum,"The molecule has 18 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CCOC(=O)c1c(C)[nH]n2c(=O)cc(C[NH+](C)C3CCCCC3)nc12
BondNum,"The molecule has 5 single bonds, 1 triple bond, 3 rotatable bonds, and 6 aromatic bonds.",C#CCOc1ccncc1CO
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 1 halo group.",Cc1ccc(C=C(C(=O)[O-])c2ccccc2Cl)cc1
AddComponent,Add a aldehyde to the molecule C[NH2+]C(C(=O)C=[N+]=[N-])C(C)OC(C)(C)C.,C[NH2+]C(CC=O)(C(=O)C=[N+]=[N-])C(C)OC(C)(C)C
SubComponent,Modify the molecule hydroxyl by substituting a O=S(=O)([O-])OC(C(O)CO)C(O)C(O)CO with a nitro.,ONC(CO)C(OS(=O)(=O)[O-])C(O)C(O)CO
DelComponent,Modify the molecule benzene ring by removing a CN1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)c2ccc(F)cc21.,CN1CCN(S(=O)(=O)C2CN(C=O)C2)c2ccc(F)cc21
LogP,Optimize the molecule CC(C)CCCC(C)CCOC#N to have a higher LogP value.,CC(C)CCCC(C)CCOS
MR,Optimize the molecule CC(=O)N1CCCCC1CCS(=O)(=O)N1CCC(O)CC1C to have a lower MR value.,CC1CC(O)CCN1S(=O)(=O)CCC1CCCC1
QED,Optimize the molecule C=CC1CC1(NC(=O)C1CC(Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)C(C)C(C)(C)C)C(=O)CS(=O)(=O)C1CC1 to have a lower QED value.,C=CC1CC1(NC(=O)C1CC(Oc2ncc(OC)c3ccc(NO)cc23)CN1C(=O)C(C)C(C)(C)C)C(=O)CS(=O)(=O)C1CC1
AtomNum,"Please generate a molecule consisting 30 carbon atoms, 7 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 4 fluorine atoms.",Cc1nc(-c2ccc3c(c2)OC(F)(F)O3)c(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-c2cc(C(F)(F)C(=O)[O-])nn2C)o1
BondNum,"Please generate a molecule with 20 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",CCC(C)(C)C1CCc2c(sc3c2C(=O)NC(c2ccc(OC(=O)c4ccc(C)cc4)cc2)N3)C1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, and 1 sulfide group.",COc1cccc(-c2nnc3sc(NC(=O)c4ccccc4C)nn23)c1
AddComponent,Add a hydroxyl to the molecule COc1cccc(SCc2ccccc2)c1N.,COc1c(O)ccc(SCc2ccccc2)c1N
SubComponent,Modify the molecule halo by substituting a CCCOC1COCC1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC with a hydroxyl.,CCCOC1COCC1Nc1nc(CC)c(-c2ccc(O)cc2Cl)nc1CC
DelComponent,Remove a halo from the molecule O=Cc1cc(F)cc(OCc2nc(C3CC3)no2)c1.,O=Cc1cccc(OCc2nc(C3CC3)no2)c1
LogP,Optimize the molecule C=C(N=CC=C(C)C=CNNc1ccncc1F)c1cccc(C)n1 to have a lower LogP value.,C=C(N=CC=C(C)C=CNNc1ccncc1C#N)c1cccc(C)n1
MR,Please modify the molecule CC[NH+](CCCF)C1CCC([NH3+])CC1 to decrease its MR value.,CCC[NH+](CC)C1CCC([NH3+])CC1
QED,Optimize the molecule CC([NH3+])c1cc(Cl)ccc1OCc1csc2ccccc12 to have a higher QED value.,CC([NH3+])c1ccccc1OCc1csc2ccccc12
AtomNum,"There is a molecule composed of 21 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, and 7 fluorine atoms.",[NH3+]C(=CC(=NCc1ccccc1F)c1ccon1)c1nccc(NCC(O)(C(F)(F)F)C(F)(F)F)n1
BondNum,"The molecule has 25 single bonds, 7 double bonds, 18 rotatable bonds, and 29 aromatic bonds.",CCN(CC)c1ccc(N=Nc2cc(S(=O)[O-])cc3cc(S(=O)[O-])cc(O)c23)c(Nc2nc(Cl)nc(N(CCS(=O)(=O)CCOS(=O)(=O)[O-])c3ccccc3)n2)c1
FunctionalGroup,The molecule has and 9 halo groups.,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)n1ccnc1
AddComponent,Please add a carboxyl to the molecule O=C(NCC1CCCC1O)c1cnn(-c2cccc(Cl)c2)n1.,O=C(NCC1CCCC1(O)C(=O)O)c1cnn(-c2cccc(Cl)c2)n1
SubComponent,Modify the molecule halo by substituting a O=C(CSc1cccc(Br)c1)NCC(=O)Nc1ccccc1Br with a nitro.,ONc1cccc(SCC(=O)NCC(=O)Nc2ccccc2Br)c1
DelComponent,Please remove a halo from the molecule Cc1cccnc1C(Cc1sccc1Br)NN.,Cc1cccnc1C(Cc1cccs1)NN
LogP,Please modify the molecule COCCN(CC1CCC[NH2+]1)C(C)c1cccc(C#N)c1 to increase its LogP value.,COCCN(CC1CCC[NH2+]1)C(C)c1cccc(S)c1
MR,Modify the molecule CN(C)c1ccc(C(CNC(=O)Nc2ccc(Cl)c(Cl)c2)[NH+]2CCCC2)cc1 to have a lower MR value.,CN(C)c1ccc(C(CNC(=O)Nc2cccc(Cl)c2)[NH+]2CCCC2)cc1
QED,Modify the molecule Cc1nc(N2CC[NH+](CC(C)(C)O)CC2)sc1C to have a higher QED value.,Cc1nc(N2CC[NH+](CC(C)C)CC2)sc1C
AtomNum,"The molecule has 14 carbon atoms, and 4 nitrogen atoms.",CC[NH2+]CCCNc1ncnc2c1CCCCC2
BondNum,"Please generate a molecule with 18 single bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCOc1cc(C[NH+]2CCC(Nc3cc[nH+]cc3F)CC2)cc(OCC)c1N
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 halo group, and 1 nitrile group.",C[NH2+]Cc1ccc(OCc2ccnc(C#N)c2)c(Cl)c1
AddComponent,Please add a hydroxyl to the molecule CC(C)CC(C[NH3+])COc1ccccc1Cl.,CC(C)C(O)C(C[NH3+])COc1ccccc1Cl
SubComponent,Substitute a CCC(C)CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)C)COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C in the molecule hydroxyl with a aldehyde.,CC(=O)C(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCC(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC
DelComponent,Please remove a benzene ring from the molecule COc1ccccc1CNN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1.,COc1ccccc1CNN=Cc1cc(Cl)ccc1OCCl
LogP,Please optimize the molecule CC1OCCC1(C)Nc1ccc(N)c(C(N)=O)c1 to have a higher LogP value.,CC1OCCC1(C)Nc1cccc(C(N)=O)c1
MR,Modify the molecule CCOC(=O)C1=[NH+]N(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(C)(C)C to have a lower MR value.,CCOC(=O)C1=[NH+]N(c2ccc(Cl)cc2)C(Cl)N1C(C)(C)C
QED,Please modify the molecule CC(O)CCCNc1ccc(OC(F)(F)F)cn1 to decrease its QED value.,CC(O)CCCNc1ccc(OC(F)(F)C(=O)[OH])cn1
AtomNum,"Please generate a molecule with 20 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CC(=NC(CC(=O)NCC#N)S(=O)(=O)Cc1ccccc1)NS(=O)(=O)c1ccccc1
BondNum,"There is a molecule with 7 single bonds, 4 rotatable bonds, and 5 aromatic bonds.",CC([NH3+])CCCc1sccc1Br
FunctionalGroup,"There is a molecule with 1 hydroxyl group, and 1 sulfide group.",CC(C)(C)c1ncc(C[NH2+]C2(CO)CCCCC2)s1
AddComponent,Add a nitrile to the molecule O=C(Cc1cccs1)Nc1ccccc1-c1cn2ccsc2[nH+]1.,N#Cc1cccc(-c2cn3ccsc3[nH+]2)c1NC(=O)Cc1cccs1
SubComponent,Modify the molecule COC(=O)CC(C)C(=O)Nc1cccc(-c2nc3c(Cl)c(C(C)(C)C)[nH]n3n2)c1 by substituting a halo with a hydroxyl.,COC(=O)CC(C)C(=O)Nc1cccc(-c2nc3c(O)c(C(C)(C)C)[nH]n3n2)c1
DelComponent,Remove a Fc1cc(F)c(-c2ccc3c4c2ccc2c(-c5c(F)cc(F)cc5F)ccc(c24)n3-c2ccccc2)c(F)c1 from the molecule halo.,Fc1ccc(-c2ccc3c4c2ccc2c(-c5c(F)cc(F)cc5F)ccc(c24)n3-c2ccccc2)c(F)c1
LogP,Modify the molecule CC(Nc1cc[nH+]c(Cl)c1)c1ccc2c(c1)OCCCO2 to decrease its LogP value.,CC(c1cc[nH+]c(Cl)c1)c1ccc2c(c1)OCCCO2
MR,Modify the molecule CCCCNC(=[NH+]Cc1nnc(C)n1C)N1CC(C)[NH+](CCOC)C(C)C1 to decrease its MR value.,CCCCNC(Cc1nnc(C)n1C)N1CC(C)[NH+](CCOC)C(C)C1
QED,Modify the molecule CC(C)c1c(N)[nH]c(CSc2ccccc2Cl)nc1=O to decrease its QED value.,CC(C)c1c(N)[nH]c(CSc2cccc(O)c2Cl)nc1=O
AtomNum,"There is a molecule consisting of 15 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CCOC(=O)c1oc(-c2ccc(C)cc2C)nc1C
BondNum,"Please generate a molecule consisting 22 single bonds, 5 double bonds, 7 rotatable bonds, and 10 aromatic bonds.",C=C(C=C1C(CC)=NC(C)=CC1C(=O)[O-])Sc1nc(N2CCC([NH3+])C2)c2c(Cl)c(CC)[nH]c2n1
FunctionalGroup,Please generate a molecule composed of and 1 amide group.,COC1CC(C(=O)N2CCCC2c2nc3ccccc3n2C(C)C)[NH+](C)C1
AddComponent,Add a benzene ring to the molecule CC1OCCC1CNS(=O)(=O)c1cc(Cl)cc(C[NH3+])c1Cl.,CC1OC(c2ccccc2)CC1CNS(=O)(=O)c1cc(Cl)cc(C[NH3+])c1Cl
SubComponent,Substitute a Cc1nc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)nn1-c1ccc(Cl)cc1 in the molecule halo with a nitrile.,Cc1nc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)nn1-c1ccc(C#N)cc1
DelComponent,Please remove a benzene ring from the molecule Cc1ccc(S(=O)(=O)n2ccc3c2ncc2nnc(C45CCC(NS(=O)(=O)c6cccc(Cl)c6)(CC4)CC5)n23)cc1.,Cc1ccc(S(=O)(=O)n2ccc3c2ncc2nnc(C45CCC(NS(=O)(=O)Cl)(CC4)CC5)n23)cc1
LogP,Modify the molecule COC(=O)c1ncn(CC2CCCS2)c1N to have a higher LogP value.,COC(=O)c1ncn(CC2CCC(c3ccccc3)S2)c1N
MR,Please optimize the molecule c1csc(C2CN(c3ccc4ccccc4n3)CCO2)c1 to have a higher MR value.,c1ccc(-c2ccc(C3CN(c4ccc5ccccc5n4)CCO3)s2)cc1
QED,Modify the molecule Cc1ccnc(N(C)CCc2ccncc2)c1C(N)=[NH+]O to have a higher QED value.,Cc1ccnc(N(C)CCc2ccncc2)c1C(N)O
AtomNum,"There is a molecule composed of 22 carbon atoms, 3 nitrogen atoms, 1 sulfur atom, and 1 phosphorus atom.",c1ccc(C(NP(c2ccccc2)c2ccccc2)=[NH+]c2nccs2)cc1
BondNum,"There is a molecule with 9 single bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCC(C)C([NH3+])c1nc(Cc2ccc(O)cc2)no1
FunctionalGroup,"The molecule is composed of 1 halo group, and 2 nitrile groups.",N#CP(I)C#N
AddComponent,Add a benzene ring to the molecule O=C(Cc1csc(-c2cccs2)n1)NCc1cccc(N2CCOC2=O)c1.,O=C(Cc1csc(-c2cccs2)n1)NCc1cccc(N2CCOC2=O)c1-c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a COc1cc(C(C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1O with a nitrile.,COc1cc(C(C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1C#N
DelComponent,Modify the molecule benzene ring by removing a O=C(Nc1ccccc1Cc1ccccc1)N(Cc1ccncc1)Cc1cccnc1.,O=C(NCc1ccccc1)N(Cc1ccncc1)Cc1cccnc1
LogP,Optimize the molecule CCC1CCCN(c2ccc(CO)cc2Br)C1 to have a lower LogP value.,CCC1CCCN(c2ccc(CO)cc2)C1
MR,Optimize the molecule CCCCCC(O)C=CC1C(O)CC(=O)C1CCCCCCCC(=O)OC1CCC2C3CC=C4CC(=O)CCC4(C)C3CCC12C to have a higher MR value.,CCCCCC(C#N)C=CC1C(O)CC(=O)C1CCCCCCCC(=O)OC1CCC2C3CC=C4CC(=O)CCC4(C)C3CCC12C
QED,Modify the molecule CC(c1ccccc1)c1cc(C(C)(C)c2ccc(O)c(C(C)c3ccccc3)c2)ccc1O to increase its QED value.,CCc1cc(C(C)(C)c2ccc(O)c(C(C)c3ccccc3)c2)ccc1O
AtomNum,"Please generate a molecule with 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCC[NH2+]C(C)CN1C(=O)C2CC(C)CC2C1=O
BondNum,"The molecule contains 13 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1sc(-c2ccsc2)nc1C
FunctionalGroup,The molecule consists of and 1 amide group.,CC1CCC2(CC1)CNC(=O)C[NH+]2C
AddComponent,Please add a hydroxyl to the molecule COc1ccc(Cl)c2sc(NC(=O)c3ccc(C#N)cc3)nc12.,COc1ccc(Cl)c2sc(NC(=O)c3ccc(C#N)c(O)c3)nc12
SubComponent,Please substitute a Cc1cc(C)c(C2C(C#N)=C([NH3+])N(c3ccc(F)cc3[N+](=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1CSc1ccc(Cl)cc1 in the molecule halo with a carboxyl.,Cc1cc(C)c(C2C(C#N)=C([NH3+])N(c3ccc(C(=O)[OH])cc3[N+](=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1CSc1ccc(Cl)cc1
DelComponent,Modify the molecule halo by removing a CCN1c2cc(C(F)(F)F)ccc2CC1CC(C)O.,CCN1c2cc(C(F)F)ccc2CC1CC(C)O
LogP,Modify the molecule CCCCCCCCNC(=S)NC(=O)c1cccnc1 to have a lower LogP value.,CCC(O)CCCCCNC(=S)NC(=O)c1cccnc1
MR,Modify the molecule O=C(Nc1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1)c1cccs1 to decrease its MR value.,O=C(Nc1noc(-c2cccc(Cl)c2)n1)c1cccs1
QED,Please optimize the molecule Cn1c(C(C)(C)C)ccc(C(=O)N2CC[NH2+]CC2)c1=O to have a lower QED value.,Cn1c(C(C)(C)C)cc(CC=O)c(C(=O)N2CC[NH2+]CC2)c1=O
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC(C)(C)OC(=O)N1CCC2(C=C(c3ccc(S(C)(=O)=O)cc3)c3ccccc3O2)CC1
BondNum,"The molecule is composed of 8 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccncc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 1 hydroxyl group, 1 ketone group, and 1 halo group.",O=C(Cc1ccc(O)cc1)Cc1cccc(F)c1
AddComponent,Add a hydroxyl to the molecule CC#CCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1.,CC#CCC[NH2+]Cc1cc(F)c(O)c(C(F)(F)F)c1
SubComponent,Modify the molecule Cc1ccc(Oc2cccc(NCC(=O)NN=Cc3c(Cl)cncc3Cl)c2)cc1 by substituting a halo with a aldehyde.,CC(=O)c1cncc(Cl)c1C=NNC(=O)CNc1cccc(Oc2ccc(C)cc2)c1
DelComponent,Please remove a CCOc1ccc(CC)cc1CCC(=O)c1c(OCC)ccc(OCC)c1OCC from the molecule benzene ring.,CCOc1ccc(OCC)c(C(=O)CC(CC)OCC)c1OCC
LogP,Modify the molecule CCCC(CC[NH3+])CCC[NH+](Cc1ccco1)C1CC1 to decrease its LogP value.,CCCC(CC[NH3+])CCC[NH+](Cc1ccco1)C1CC1C(=O)O
MR,Modify the molecule CC1CC([NH+]2CC(CC(=O)[O-])C2)CC(C)(C)C1 to have a higher MR value.,CC1CC([NH+]2CC(CC(=O)[O-])C2)C(O)C(C)(C)C1
QED,Please modify the molecule O=C([O-])CCc1cn(S(=O)(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)c2ccc(F)cc12 to decrease its QED value.,ONC(F)(F)Oc1cccc(-c2ccc(S(=O)(=O)n3cc(CCC(=O)[O-])c4cc(F)ccc43)s2)c1
AtomNum,"The molecule contains 18 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4[nH+]3)cc2)c1
BondNum,"Please generate a molecule consisting 8 single bonds, 1 double bond, 5 rotatable bonds, and 12 aromatic bonds.",CSc1ccccc1NC(=O)COc1ccc(I)cc1
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 1 halo group.",Cn1c(CCO)nc(Br)c1C1CCOCC1
AddComponent,Please add a carboxyl to the molecule CC(C)(C(=S)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12.,CC(C)(C(=S)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)c(C(=O)O)c32)CC1)c1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12
SubComponent,Modify the molecule O=C=COc1c(F)c(N2C(=O)C3=C(CCCC3)C2=O)cc(OC2CCCC2)c1Cl by substituting a halo with a carboxyl.,O=C=COc1c(Cl)c(OC2CCCC2)cc(N2C(=O)C3=C(CCCC3)C2=O)c1C(=O)[OH]
DelComponent,Modify the molecule amine by removing a CCc1nnc2nc(N)nc(N)c2n1.,CCc1nnc2nc(N)ncc2n1
LogP,Please modify the molecule O=C(NCCCNc1ncccn1)c1cc(Cl)ccc1Cl to decrease its LogP value.,O=C([OH])c1ccc(Cl)c(C(=O)NCCCNc2ncccn2)c1
MR,Modify the molecule CSC(C)CCn1c(CCl)nc2ccc(F)cc21 to decrease its MR value.,CSC(C)CCn1c(C)nc2ccc(F)cc21
QED,Modify the molecule CC1CCCCN1c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 to have a lower QED value.,CC1CCCCN1c1ccc(NC(=O)c2cc(Cl)cc(O)c2Cl)cc1
AtomNum,"There is a molecule with 10 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",[NH3+]CC=Cc1nc(C2CCCC2)no1
BondNum,"The molecule is composed of 12 single bonds, 2 double bonds, 3 rotatable bonds, and 24 aromatic bonds.",Brc1cc(Br)cc(P2c3ccc(-c4ccccc4)cc3C3C=C(c4ccccc4)C=CC32)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 halo groups.",CCCCCCCOC(CI)c1cccc(Br)c1
AddComponent,Add a benzene ring to the molecule Cc1cc(C)c(NC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)N(C)C3=O)c([N+](=O)[O-])c1.,Cc1cc(C)c(NC(=O)C2(C)CC3(C)CC(C)(C(=O)N(C)C3=O)C2c2ccccc2)c([N+](=O)[O-])c1
SubComponent,Modify the molecule halo by substituting a CCC1=C(C(=O)[O-])C(S(=O)(=O)Nc2ccc(F)cc2Cl)CCC1 with a aldehyde.,CC(=O)c1ccc(NS(=O)(=O)C2CCCC(CC)=C2C(=O)[O-])c(Cl)c1
DelComponent,Remove a benzene ring from the molecule CCCOC(=O)c1ccc([S-])cc1.,CCCOC(=O)[S-]
LogP,Modify the molecule CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2ccc(Cl)cc2)CC1 to have a lower LogP value.,O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCCO)C1(c2ccc(Cl)cc2)CC1
MR,Modify the molecule CCCS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 to have a higher MR value.,CCCS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2cccc(C(=O)[OH])c2)CC1
QED,Please optimize the molecule O=C1SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(=O)N1CCOc1ccccc1 to have a lower QED value.,CC(=O)c1ccc(COc2ccc(C=C3SC(=O)N(CCOc4ccccc4)C3=O)cc2Cl)c(Cl)c1
AtomNum,"There is a molecule with 17 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",CC1CN(C(=O)C2CC2)c2cc(-c3cn(C)nn3)ccc2N1C(=O)[O-]
BondNum,"The molecule is composed of 17 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(OCCC(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)c1
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 1 halo group, and 1 sulfide group.",CC(C)Cc1nn(-c2nccs2)c(Cl)c1CO
AddComponent,Modify the molecule Cc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC(C)C)c3C)CC2)cc1 by adding a hydroxyl.,Cc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC(C)C)c3CO)CC2)cc1
SubComponent,Substitute a halo in the molecule COc1ccc(NC(=O)C(c2cccc(OC)c2)N(Cc2ccc(F)cc2)C(=O)CSc2nc(C)cc(C)n2)cc1 with a aldehyde.,CC(=O)c1ccc(CN(C(=O)CSc2nc(C)cc(C)n2)C(C(=O)Nc2ccc(OC)cc2)c2cccc(OC)c2)cc1
DelComponent,Remove a CC(C[NH3+])CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F from the molecule halo.,CC(C[NH3+])CCC(=O)Nc1ccc(Cl)cc1C(F)F
LogP,Modify the molecule C=CCC(C)C(C)Nc1cnccc1C to decrease its LogP value.,C=C(C#N)CC(C)C(C)Nc1cnccc1C
MR,Modify the molecule [C-]#[N+]c1ccc(C(c2ccc(C#N)c(C#N)c2)(C(F)(F)F)C(F)(F)F)cc1[N+]#[C-] to have a higher MR value.,[C-]#[N+]c1ccc(C(c2ccc(C#N)c(C#N)c2-c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1[N+]#[C-]
QED,Modify the molecule CCc1cccc(CC)c1NC(=O)CN(CCC1=CCCCC1)C(C)=O to decrease its QED value.,CCN(CC)C(=O)CN(CCC1=CCCCC1)C(C)=O
AtomNum,"Please generate a molecule with 17 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",CCN(CC(=O)OC1CCCCC1[NH3+])C(=O)Cn1cc(C)c(=O)[nH]c1=O
BondNum,"Please generate a molecule with 18 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",COCC1OC(n2ccc([O-])c(-c3ccc(C)cc3)c2=O)C(OC(C)=O)C1OC(C)=O
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 halo group.",Cc1ccc(CC(=O)N2CC(C(=O)[O-])C(C3CC3)C2)cc1Br
AddComponent,Modify the molecule COC1CC(NC(=O)Nc2nc(-c3ccsc3)ns2)C1 by adding a benzene ring.,COC1CC(NC(=O)Nc2nc(-c3ccsc3-c3ccccc3)ns2)C1
SubComponent,Please substitute a halo in the molecule CCCCOc1cccc(C=Nn2c(C)nnc2SCc2cccc(F)c2)c1 with a nitrile.,CCCCOc1cccc(C=Nn2c(C)nnc2SCc2cccc(C#N)c2)c1
DelComponent,Remove a Cc1onc(C=Cc2cccc(Br)c2)c1[N+](=O)[O-] from the molecule benzene ring.,Cc1onc(C=CBr)c1[N+](=O)[O-]
LogP,Modify the molecule N#CCC1(n2cc(-c3ccnc4[nH]ccc34)cn2)C[NH+](C2CCN(C(=O)Nc3ccccc3Cl)CC2)C1 to have a lower LogP value.,O=C(Nc1ccccc1Cl)N1CCC([NH+]2CC(CO)(n3cc(-c4ccnc5[nH]ccc45)cn3)C2)CC1
MR,Please optimize the molecule COc1ccc(CN(C)C(=O)c2ccc(=O)[nH]n2)cc1OC(F)F to have a higher MR value.,COc1ccc(CN(C)C(=O)c2ccc(=O)[nH]n2)c(N)c1OC(F)F
QED,Optimize the molecule CC([NH2+]Cc1ccco1)c1ccc(O)c(F)c1 to have a lower QED value.,CC(=O)c1cc(C(C)[NH2+]Cc2ccco2)ccc1O
AtomNum,"There is a molecule with 8 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",COc1nc(Cl)nc(Sc2cccs2)n1
BondNum,"Please generate a molecule consisting 22 single bonds, 3 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCCC1NC(=O)C([NH2+]C)c2ccc(OC)c(c2)-c2cc(ccc2OC)CC(C(=O)OC)NC1=O
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 halo group.",CC[NH+]1CCN(c2nc(=O)cc(-c3ccccc3Cl)[nH]2)CC1
AddComponent,Please add a benzene ring to the molecule O=C(NC1CCC(C(=O)[O-])CC1)NC12CC3CC(CC(C3)C1)C2.,O=C(NC12CC3CC(CC(C3)C1)C2)NC1(c2ccccc2)CCC(C(=O)[O-])CC1
SubComponent,Substitute a hydroxyl in the molecule CC(C)[NH2+]C(C)(CO)CN1CCCC(C(C)C)CC1 with a carboxyl.,CC(C)[NH2+]C(C)(CC(=O)[OH])CN1CCCC(C(C)C)CC1
DelComponent,Please remove a amide from the molecule Cc1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1.,Cc1cccc(CCc2c[nH]c3ccccc23)c1
LogP,Optimize the molecule COc1cc(C[NH+]2CCCOC(C)C2)ccc1C#N to have a higher LogP value.,COc1cccc(C[NH+]2CCCOC(C)C2)c1
MR,Modify the molecule COc1ccc(Nc2nnc(-c3nc(NCCN4C(=O)NC(=O)C4(C)C)ncc3Cl)s2)cc1 to increase its MR value.,COc1ccc(Nc2nnc(-c3nc(NCCN4C(=O)NC(=O)C4(C)C)ncc3NO)s2)cc1
QED,Please modify the molecule C=Cc1cc(C(=O)NC)c(=O)n(Cc2ccccc2)c1 to decrease its QED value.,C=Cc1cc(C(=O)NC)c(=O)n(C)c1
AtomNum,"The molecule contains 19 carbon atoms, 1 oxygen atom, and 1 bromine atom.",CCOC1CC1C#Cc1ccc(-c2ccc(Br)cc2)cc1
BondNum,"Please generate a molecule with 12 single bonds, 2 double bonds, 9 rotatable bonds, and 27 aromatic bonds.",Cc1cccn2cc(COc3ccccc3C(=O)NCc3cccc(C(=O)NCc4ccco4)c3)[nH+]c12
FunctionalGroup,"The molecule contains 2 benzene ring groups, 2 amide groups, and 3 halo groups.",O=C1C2Cc3c(C(F)(F)F)ccn3C(Cc3ccccc3)C2C(=O)N1c1ccccc1
AddComponent,Please add a benzene ring to the molecule N#CC(=N[N-]c1cccc(Cl)c1)C(=O)C1CC1.,N#CC(=N[N-]c1cccc(Cl)c1)C(=O)C1CC1c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule CCCC1CCC(Nc2cccc(CO)c2)CC1 with a nitro.,CCCC1CCC(Nc2cccc(CNO)c2)CC1
DelComponent,Remove a hydroxyl from the molecule CC(=O)NCC1CN(c2ccc(-c3ccc(O)cc3)cc2)C(=O)O1.,CC(=O)NCC1CN(c2ccc(-c3ccccc3)cc2)C(=O)O1
LogP,Please modify the molecule CC(C(=O)Nc1ccc2c(c1)C1(CCCC1)C(=O)N2)c1ccc(Cl)cc1 to decrease its LogP value.,CC(C(=O)Nc1ccc2c(c1)C1(CCCC1)C(=O)N2)c1ccccc1
MR,Optimize the molecule CCc1cccc(-c2cnc3c(F)cn(CC(=O)N4CCC4)c3c2)c1 to have a higher MR value.,CCc1cccc(-c2cnc3c(C#N)cn(CC(=O)N4CCC4)c3c2)c1
QED,Modify the molecule COc1ccc(OCC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 to increase its QED value.,COc1ccc(Oc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1
AtomNum,"The molecule consists of 19 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCN(Cc1ccccc1)C(=O)C(C)Sc1n[nH]c(=O)n1CC1CCCO1
BondNum,"The molecule consists of 10 single bonds, 3 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1C
FunctionalGroup,There is a molecule with and 1 ester group.,CCOCn1ccc([O-])c(C(=O)OCC)c1=O
AddComponent,Please add a benzene ring to the molecule CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O.,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(C(OC(C)=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O
SubComponent,Please substitute a Cc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccccc32)cc1 in the molecule halo with a hydroxyl.,Cc1ccc(S(=O)(=O)n2cc(C(O)F)c3ccccc32)cc1
DelComponent,Remove a benzene ring from the molecule C[NH2+]C(c1ccccc1)C(C)(C)C[NH+]1CCC(C)(C)CC1.,C[NH2+]CC(C)(C)C[NH+]1CCC(C)(C)CC1
LogP,Modify the molecule OC1CCC(Nc2nc(NCc3cccc(C(F)(F)F)c3)nc(Oc3ccccc3)n2)CC1 to have a higher LogP value.,FC(F)(F)c1cccc(CNc2nc(NC3CCC(S)CC3)nc(Oc3ccccc3)n2)c1
MR,Modify the molecule O=C(C[N+](=O)[O-])c1ccc(Cl)o1 to have a lower MR value.,O=C(C[N+](=O)[O-])c1ccco1
QED,Modify the molecule CCCC1(C(=O)[O-])CCCN(c2nnc(C(F)(F)F)s2)C1 to have a lower QED value.,CCCC1(C(=O)[O-])CCCN(c2nnc(C(F)F)s2)C1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",O=S(=O)(C=Cc1ccc(Cl)cc1)NCC1C[NH2+]CCO1
BondNum,"The molecule consists of 8 single bonds, 1 double bond, 1 rotatable bond, and 5 aromatic bonds.",C[NH+]1CCC(=O)C1c1ccc(Cl)s1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 1 sulfone group.",CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1
AddComponent,Modify the molecule Cc1cc(Br)ccc1N1CCN(C2CC[NH2+]C2)CC1 by adding a carboxyl.,Cc1cc(Br)cc(C(=O)O)c1N1CCN(C2CC[NH2+]C2)CC1
SubComponent,Substitute a hydroxyl in the molecule CC1(CCCCCS)CC(=O)[N+](O)(O)C1 with a halo.,CC1(CCCCCS)CC(=O)[N+](O)(Br)C1
DelComponent,Please remove a halo from the molecule CCC1CCCC(Oc2c(F)cccc2C(C)[NH3+])C1.,CCC1CCCC(Oc2ccccc2C(C)[NH3+])C1
LogP,Optimize the molecule O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(I)c1 to have a higher LogP value.,O=C(CCCc1c[nH]c2cc(-c3ccccc3)ccc12)Nc1cccc(I)c1
MR,Modify the molecule COc1ccc(Oc2cccc(C(C#N)OC(=O)C(Nc3ccc(C(F)(F)F)cc3Cl)C(C)C)n2)cc1 to have a lower MR value.,COc1ccc(Oc2cccc(C(C#N)OC(=O)C(c3ccc(C(F)(F)F)cc3Cl)C(C)C)n2)cc1
QED,Modify the molecule CCCCCSCC1(O)CCC(C(=O)OCC)CC1 to have a lower QED value.,CCCCCSCC1(F)CCC(C(=O)OCC)CC1
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CN(C)C(=O)C1CCN(C(=O)NCC2CC2C2CCC2)C1
BondNum,"Please generate a molecule with 17 single bonds, and 11 rotatable bonds.",CCCCCCCOC(C[NH2+]C1CC1)C(C)C
FunctionalGroup,"Please generate a molecule composed of 2 halo groups, and 1 nitrile group.",COc1c(CC#N)cc(C(F)F)[nH]c1=O
AddComponent,Please add a carboxyl to the molecule c1ccc2c(c1)CCCC2[NH2+]CCc1cscn1.,O=C(O)c1cccc2c1C([NH2+]CCc1cscn1)CCC2
SubComponent,Modify the molecule O=S(=O)(CCc1cccs1)N1CC[NH2+]CC1c1ccccc1Cl by substituting a halo with a hydroxyl.,O=S(=O)(CCc1cccs1)N1CC[NH2+]CC1c1ccccc1O
DelComponent,Remove a Nc1cc(=O)n2c(n1)CNC(=O)C2 from the molecule amide.,Nc1cc(=O)n2c(n1)C2
LogP,Modify the molecule CCC(I)C(=O)OCC12CC3(O)CC(O)(CC(O)(C3)C1)C2 to have a higher LogP value.,CCC(I)C(=O)OCC12CC3(O)CC(O)(C1)C(c1ccccc1)C(O)(C3)C2
MR,Please modify the molecule CCC(C)NC(=O)c1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccccc4F)c3C)CC2)c(C)c1 to increase its MR value.,CCC(C)NC(=O)c1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccccc4C#N)c3C)CC2)c(C)c1
QED,Modify the molecule C[NH+](C)C=C1Sc2ccccc2C1=S to have a lower QED value.,C[NH+](C)C=C1Sc2cc(N)ccc2C1=S
AtomNum,"There is a molecule with 22 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",COc1ccc(C=C(C#N)c2c(C#N)c(N)nc(N3CCCCC3)c2C#N)cc1
BondNum,"Please generate a molecule with 18 single bonds, 1 double bond, 7 rotatable bonds, and 16 aromatic bonds.",CC(C)Cc1ccc(C(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 ketone group, and 1 amide group.",CCCOc1ccc(C2C(=C([O-])c3ccccc3)C(=O)C(=O)N2CC[NH+](C)C)cc1OC
AddComponent,Add a benzene ring to the molecule CC(C)(C)OC(=O)N1CCC(Oc2ncc(C(=O)[O-])cn2)C1.,CC(C)(C)OC(=O)N1CCC(Oc2ncc(C(=O)[O-])c(-c3ccccc3)n2)C1
SubComponent,Please substitute a hydroxyl in the molecule CC1CCC(C)N(c2ccc(C(C)[NH3+])c(O)c2)C1 with a nitrile.,CC1CCC(C)N(c2ccc(C(C)[NH3+])c(C#N)c2)C1
DelComponent,Remove a benzene ring from the molecule COC(=O)c1ccc(CN(c2ccc3cnn(C(C)C)c3c2)S(C)(=O)=O)cc1.,COC(=O)CN(c1ccc2cnn(C(C)C)c2c1)S(C)(=O)=O
LogP,Please optimize the molecule Cc1cc(NC(=O)N2CC=C(c3ncc(C(O)CO)cc3Cl)CC2)ccc1Cl to have a higher LogP value.,Cc1cc(NC(=O)N2CC=C(c3ncc(C(O)CO)cc3Cl)CC2c2ccccc2)ccc1Cl
MR,Please modify the molecule N#Cc1ccc(F)c(-c2nc(-c3ccccn3)no2)c1 to increase its MR value.,N#Cc1ccc(F)c(-c2nc(-c3ccc(-c4ccccc4)cn3)no2)c1
QED,Please optimize the molecule Nc1ccc(C(=O)OCCCc2ccccc2)cc1Cl to have a higher QED value.,N#Cc1cc(C(=O)OCCCc2ccccc2)ccc1N
AtomNum,"The molecule has 39 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2C(C)C[NH2+]CCC2CCC(C(=O)[O-])CC2)c1
BondNum,"The molecule contains 10 single bonds, 1 triple bond, 6 rotatable bonds, and 5 aromatic bonds.",CCCCCSCc1cc(C#CCO)cs1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, and 7 halo groups.",CCC(O)OC(F)(F)C(F)(F)C(F)(F)F
AddComponent,Add a benzene ring to the molecule C=CCn1nnc([N+](=O)[O-])n1.,O=[N+]([O-])c1nnn(CC=Cc2ccccc2)n1
SubComponent,Substitute a hydroxyl in the molecule Cn1ccc(C2(O)CCC3(CCCC3)CC2)n1 with a aldehyde.,CC(=O)C1(c2ccn(C)n2)CCC2(CCCC2)CC1
DelComponent,Please remove a halo from the molecule CCCC[NH+](CCCC)Cc1nc(-c2ncn3c2C2CCCN2C(=O)c2c(Cl)cccc2-3)no1.,CCCC[NH+](CCCC)Cc1nc(-c2ncn3c2C2CCCN2C(=O)c2ccccc2-3)no1
LogP,Optimize the molecule CCN(CC)c1cc(C(=O)[O-])nc(Cc2ccc(F)cc2)n1 to have a higher LogP value.,CCN(CC)c1cc(C(=O)[O-])nc(Cc2ccc(F)cc2-c2ccccc2)n1
MR,Modify the molecule N#Cc1ccc(CO[B-](OCc2ccc(C#N)cc2)(OCc2ccc(C#N)cc2)OCc2ccc(C#N)cc2)cc1 to increase its MR value.,N#Cc1ccc(CO[B-](OCc2ccc(C#N)cc2)(OCc2ccc(C#N)cc2)OCc2ccc(C#N)cc2O)cc1
QED,Please modify the molecule CC(=NNC(=O)CCCC(=O)NN=C(C)c1cccc(NC(=O)c2cccs2)c1)c1cccc(NC(=O)c2cccs2)c1 to increase its QED value.,CC(=NNC(=O)CCCC(=O)NN=C(C)c1cccc(NC(=O)c2cccs2)c1)NC(=O)c1cccs1
AtomNum,"The molecule contains 31 carbon atoms, 2 oxygen atoms, and 7 nitrogen atoms.",CCN1CC[NH+](CC(=O)Nc2cc(Oc3ccc4c(c3)nc(Nc3cccc(C(C)(C)C)c3)n4C)ccn2)CC1
BondNum,"The molecule contains 8 single bonds, 3 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",COc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 halo group.",CCC([NH3+])Cc1cc(F)ccc1OC(C)C(=O)N(C)C
AddComponent,Please add a benzene ring to the molecule CCOC(=O)c1ccc(CNC(NCc2ccc(C)cc2)=[NH+]C)cc1.,CCOC(=O)c1ccc(CNC(NCc2ccc(C)cc2)=[NH+]C)cc1-c1ccccc1
SubComponent,Please substitute a CCCn1nnc(Br)c1C(C)C in the molecule halo with a thiol.,CCCn1nnc(S)c1C(C)C
DelComponent,Modify the molecule benzene ring by removing a CCc1nn(C)cc1Nc1ccc(C(F)(F)F)cc1.,CCc1nn(C)cc1NC(F)(F)F
LogP,Modify the molecule CC[NH+](C1CCCC1)C1CCC([NH2+]C(C)C)(C(N)=O)C1 to have a higher LogP value.,CC[NH+](C1CCCC1)C1CCC1[NH2+]C(C)C
MR,Optimize the molecule O=C(OCc1ccccc1)C(F)(c1ccccc1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 to have a higher MR value.,O=C(OCc1ccccc1)C(O)(c1ccccc1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
QED,Please modify the molecule COc1cc(C=C2N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccc(Br)cc1 to decrease its QED value.,COc1cc(C(O)=C2N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccc(Br)cc1
AtomNum,"There is a molecule composed of 30 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",O=C(c1cccc2[nH]c(CCO)nc12)N1CC(C[NH+]2CCC(c3ccc(F)cc3)CC2)C(c2ccsc2)C1
BondNum,"The molecule has 6 single bonds, 1 double bond, 1 triple bond, 1 rotatable bond, and 12 aromatic bonds.",O=C([O-])c1ccc(C#Cc2ccc(O)cc2)c(F)c1
FunctionalGroup,"Please generate a molecule consisting 1 ester group, and 1 sulfone group.",CCOC(=O)c1ccc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)o1
AddComponent,Add a carboxyl to the molecule CCC1[NH2+]CC(=O)N1CC1CCOCC1.,CCC1(C(=O)O)[NH2+]CC(=O)N1CC1CCOCC1
SubComponent,Modify the molecule hydroxyl by substituting a CC1(N(O)C(=O)c2ccccc2)C(=O)Oc2ccccc2C1=O with a carboxyl.,CC1(N(C(=O)[OH])C(=O)c2ccccc2)C(=O)Oc2ccccc2C1=O
DelComponent,Modify the molecule amide by removing a CCC(C)CN(C)C(=O)c1n[nH]c(C(C)C)c1S(=O)(=O)Cl.,CCC(C)C(C)n1[nH]c(C(C)C)c-1S(=O)(=O)Cl
LogP,Please optimize the molecule C=CCN(Cc1cc(C(=O)NCc2ccc(C)cc2)no1)C(=O)c1cccc([N+](=O)[O-])c1 to have a lower LogP value.,C=CCN(C(=O)c1cccc([N+](=O)[O-])c1)C(C(=O)O)c1cc(C(=O)NCc2ccc(C)cc2)no1
MR,Modify the molecule C=CC1CC(C)=CCC1C=O to increase its MR value.,C=C(O)C1CC(C)=CCC1C=O
QED,Please modify the molecule OCC(O)CSc1nnnn1-c1ccc(Cl)cc1 to decrease its QED value.,OCC(O)CSc1nnnn1-c1ccc(Cl)cc1-c1ccccc1
AtomNum,"There is a molecule consisting of 16 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CCOC(=O)c1oc(-c2cc(C)cc(C)c2)nc1CC
BondNum,"The molecule is composed of 8 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",CC([NH3+])C(C)(CCO)c1cc2ccccc2s1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, 1 halo group, and 1 nitrile group.",N#Cc1c(Cl)cccc1NCCCCCCC(=O)[O-]
AddComponent,Please add a hydroxyl to the molecule COc1ccc(Cl)cc1NC(=O)C(C)CC#N.,COc1c(O)cc(Cl)cc1NC(=O)C(C)CC#N
SubComponent,Please substitute a N#CC1(NCC2CC2)CCN(c2ccccc2)CC1 in the molecule nitrile with a hydroxyl.,OC1(NCC2CC2)CCN(c2ccccc2)CC1
DelComponent,Please remove a C[NH2+]C(C)(C)C(O)C1=CCCO1 from the molecule hydroxyl.,C[NH2+]C(C)(C)CC1=CCCO1
LogP,Optimize the molecule COc1ccccc1NC(=O)c1ccnc(N(C)C)c1 to have a lower LogP value.,COc1ccc(O)cc1NC(=O)c1ccnc(N(C)C)c1
MR,Optimize the molecule O=C([O-])CCn1c(Br)c(CCNS(=O)(=O)c2ccc(F)cc2)c2ccccc21 to have a lower MR value.,O=C([O-])CCn1c(Br)c(CCS(=O)(=O)c2ccc(F)cc2)c2ccccc21
QED,Please modify the molecule O=C([O-])c1cnc(-c2cccc3c2CC[NH2+]C3)c(Cl)c1 to decrease its QED value.,O=C([O-])c1ccc(-c2cccc3c2CC[NH2+]C3)nc1
AtomNum,"The molecule has 10 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 silicon atom.",CCCC(N)([NH2+]CC)[Si]1CCCCO1
BondNum,"The molecule contains 18 single bonds, 1 double bond, and 1 rotatable bond.",CC1(F)C[NH2+]CCN(C(=O)C2CC(F)(F)CN2)C1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 2 amide groups, 2 halo groups, 1 thioether group, and 1 sulfide group.",CCOCCCNC(=O)c1cccc(NC(=O)c2cccnc2SC(F)F)c1
AddComponent,Please add a carboxyl to the molecule O=C1CCCCC1C1CCCCCN1C(=O)c1ccc(-n2cncn2)cc1.,O=C1CCCCC1C1CCCCC(C(=O)O)N1C(=O)c1ccc(-n2cncn2)cc1
SubComponent,Please substitute a O=C(NC1Cc2ncccc2NC1=O)c1cc2cc(Cl)[nH]cc-2n1 in the molecule halo with a carboxyl.,O=C(NC1Cc2ncccc2NC1=O)c1cc2cc(C(=O)[OH])[nH]cc-2n1
DelComponent,Modify the molecule CC([NH2+]C1CCCCN(C(=O)OC(C)(C)C)C1)c1cccc(Cl)c1Cl by removing a benzene ring.,CC(Cl)(Cl)[NH2+]C1CCCCN(C(=O)OC(C)(C)C)C1
LogP,Modify the molecule [NH3+]CC1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 to decrease its LogP value.,[NH3+]CC1(C(=O)N2CCC(Cc3ccccc3O)CC2)CC1
MR,Please modify the molecule CCNC(NCC(CC[NH+](C)C)OCC)=[NH+]Cc1ncc(C(C)(C)C)o1 to decrease its MR value.,CCNC(Cc1ncc(C(C)(C)C)o1)NCC(CC[NH+](C)C)OCC
QED,Optimize the molecule CC(NC(=O)c1sc2nccnc2c1N)C(=O)N(C)C to have a lower QED value.,CC(C(=O)N(C)C)c1(N)c2nccnc2s-1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, and 1 oxygen atom.",CCCCCCCCCCCC=CCCOCC
BondNum,"There is a molecule consisting of 19 single bonds, 2 double bonds, and 2 rotatable bonds.",CC1(O)CCC2CC1OOC2(C)CS(=O)(=O)C(C)(C)C
FunctionalGroup,"The molecule consists of 1 thioether group, and 2 sulfide groups.",CCCC(C)CC1C(CCCCC(C)C)C2CCC(C(C)Sc3n[nH]c(=S)s3)C1C2
AddComponent,Modify the molecule CCCC(CCC)C(=O)NCCn1ncc2c(N3CCOCC3)nc(SCC)nc21 by adding a hydroxyl.,CCCC(CCC)C(=O)NCC(O)n1ncc2c(N3CCOCC3)nc(SCC)nc21
SubComponent,Please substitute a CC(C)C(C)C[NH2+]CCOc1ccc(Br)cc1 in the molecule halo with a nitro.,CC(C)C(C)C[NH2+]CCOc1ccc(NO)cc1
DelComponent,Modify the molecule amine by removing a Cc1ccc(NC(=S)NCc2ccco2)c(Br)c1.,Cc1ccc(C(=S)NCc2ccco2)c(Br)c1
LogP,Please optimize the molecule COc1cccc(Cl)c1C[NH2+]C(C)C1CCOCC1 to have a lower LogP value.,COc1cccc(C#N)c1C[NH2+]C(C)C1CCOCC1
MR,Please modify the molecule CSc1cccc(C[NH+](C)CC(=O)Nc2ccccc2NC(C)=O)c1 to decrease its MR value.,CSC[NH+](C)CC(=O)Nc1ccccc1NC(C)=O
QED,Modify the molecule [NH3+]CCc1nc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cs1 to have a lower QED value.,CC(=O)c1ccc(C(=O)N2CCCCC2)c(NC(=O)c2csc(CC[NH3+])n2)c1
AtomNum,"There is a molecule with 20 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",O=C([O-])C(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
BondNum,"The molecule has 8 single bonds, 2 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",NC(=[NH+]O)c1ccccc1NC(=O)c1ccc(Br)c(Cl)c1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 1 amide group.",C=CCOC1C2OC(C)(C)OC2OC1C1C(Oc2ccccc2)C(=O)N1c1ccc(OC)cc1
AddComponent,Modify the molecule CC1CCCCC(C(=O)[O-])C1(C)C by adding a carboxyl.,CC1C(C(=O)O)CCCC(C(=O)[O-])C1(C)C
SubComponent,Please substitute a halo in the molecule COC(Cl)(Cl)SSSSC(Cl)(Cl)OC with a thiol.,COC(S)(Cl)SSSSC(Cl)(Cl)OC
DelComponent,Modify the molecule amide by removing a Cc1ccncc1CNC(=O)CC1C[NH2+]C1.,Cc1ccncc1CC1C[NH2+]C1
LogP,Modify the molecule FC(F)(F)c1ccc(Cl)c(C(Cl)(Cl)c2cc(C(F)(F)F)ccc2Cl)c1 to decrease its LogP value.,N#CC(F)(F)c1ccc(Cl)c(C(Cl)(Cl)c2cc(C(F)(F)F)ccc2Cl)c1
MR,Modify the molecule COc1ccc(C(N)=O)cc1I to have a lower MR value.,CO[IH]C(N)=O
QED,Optimize the molecule Cc1cc(C)c2nc(N(Cc3ccccn3)C(=O)c3sc(C)nc3C)sc2c1 to have a lower QED value.,Cc1cc(C)c2nc(N(Cc3cc(-c4ccccc4)ccn3)C(=O)c3sc(C)nc3C)sc2c1
AtomNum,"There is a molecule with 21 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)N(C)C1CCCCN1C2=O
BondNum,"There is a molecule with 8 single bonds, 1 double bond, 2 triple bonds, 3 rotatable bonds, and 11 aromatic bonds.",C#CNc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2nc1NC#N
FunctionalGroup,There is a molecule consisting of and 1 benzene ring group.,Cc1ccc(OCC2CCC[NH2+]C2)c(Oc2ccccc2OC(C)C)n1
AddComponent,Modify the molecule CN(C)C(=O)C1CCN(CC[NH2+]C23CCCC2C2CCC4C(C)(CCC5C(C)(C)C(c6ccc(C=O)cc6)=CCC54C)C2CC3)CC1 by adding a hydroxyl.,CN(C)C(=O)C1CCN(CC[NH2+]C23CCCC2(O)C2CCC4C(C)(CCC5C(C)(C)C(c6ccc(C=O)cc6)=CCC54C)C2CC3)CC1
SubComponent,Modify the molecule C=C1C(=CC=C2CC(O)CC3C2CCC3C(C)O)CC(O)C(O)C1O by substituting a hydroxyl with a halo.,C=C1C(=CC=C2CC(Br)CC3C2CCC3C(C)O)CC(O)C(O)C1O
DelComponent,Please remove a Cc1ccc(-c2noc(CCNC(=O)Cc3ccccc3)n2)cc1 from the molecule benzene ring.,Cc1noc(CCNC(=O)Cc2ccccc2)n1
LogP,Optimize the molecule CCOC(=O)c1ccnc(Nc2nnc(-c3ccccc3)c(-c3ccccc3)c2C(=O)OC)c1 to have a lower LogP value.,CCOC(=O)c1ccnc(-c2nnc(-c3ccccc3)c(-c3ccccc3)c2C(=O)OC)c1
MR,Optimize the molecule Cc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2cccc(F)c12 to have a higher MR value.,Cc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2cccc(O)c12
QED,Optimize the molecule CC(=CCl)CN1C(=O)C(C(C)C)NC(=O)c2ccccc21 to have a lower QED value.,CC(=CCl)CN1C(=O)C(C(C)CO)NC(=O)c2ccccc21
AtomNum,"Please generate a molecule with 22 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",CCn1c(CSc2ccc(C)cc2)nnc1SC(C)C(=O)Nc1ccc(C)c(Cl)c1
BondNum,"There is a molecule with 8 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",COc1ccc2c(c1)c(=O)c(C(=O)[O-])c(C)n2CCO
FunctionalGroup,Please generate a molecule with and 1 hydroxyl group.,C[Si](C)(C)C1=C2COC3(O)CCCCC(C=C1)C23
AddComponent,Please add a benzene ring to the molecule CO[SiH](CN[Si](C)(C)c1ccccc1)c1ccccc1.,CO[SiH](CN[Si](C)(C)c1cccc(-c2ccccc2)c1)c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a OCc1cnn(-c2nc(Nc3ccccn3)c3ncn(C4OC(CO)C(O)C4O)c3n2)c1 with a carboxyl.,O=C([OH])Cc1cnn(-c2nc(Nc3ccccn3)c3ncn(C4OC(CO)C(O)C4O)c3n2)c1
DelComponent,Please remove a halo from the molecule C[NH+](C)CCn1ncc(Br)c1C(=O)c1csc(Br)c1.,C[NH+](C)CCn1ncc(Br)c1C(=O)c1ccsc1
LogP,Optimize the molecule CC(C)n1nc(N2CCCCC2CNc2ncnc3cc(F)ccc23)ccc1=O to have a lower LogP value.,CC(C)n1nc(N2CCCCC2CNc2ncnc3ccccc23)ccc1=O
MR,Please modify the molecule CC1(C)CC1C(=O)Nc1ccc(F)c(C(N)=[NH+]O)c1 to increase its MR value.,CC(=O)[NH+]=C(N)c1cc(NC(=O)C2CC2(C)C)ccc1F
QED,Modify the molecule CC(C)(C)OC(=O)N1CCC([NH+]2CCC(c3ccccc3)C2)CC1 to decrease its QED value.,CC(C)(C)OC(=O)N1CCC([NH+]2CCCC2)CC1
AtomNum,"Please generate a molecule composed of 25 carbon atoms, 7 oxygen atoms, and 1 nitrogen atom.",COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)C2c2ccc(C)o2)cc1
BondNum,"The molecule contains 14 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",NC(=O)C[NH+](Cc1ccc(F)c(C[NH3+])c1)C1CCCC1
FunctionalGroup,"The molecule contains 1 amide group, 1 amine group, and 2 halo groups.",CNc1cc(C(=O)NCCOCC(F)F)cc(C(C)C)n1
AddComponent,Please add a amine to the molecule Cc1ccc(NC(=O)c2ccccc2NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)NC4CCCCC4C)cc3C)CC2)cc1F.,Cc1ccc(NC(=O)c2ccccc2NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)NC4CCC(N)CC4C)cc3C)CC2)cc1F
SubComponent,Please substitute a halo in the molecule O=C(C[NH+]1CCN(C(=O)c2csc(Nc3ccc(Cl)cc3)n2)CC1)NC1CC1 with a nitrile.,N#Cc1ccc(Nc2nc(C(=O)N3CC[NH+](CC(=O)NC4CC4)CC3)cs2)cc1
DelComponent,Please remove a amide from the molecule NC(=O)C(CCC(F)(F)F)C(CC1CC1)C(=O)NC1N=C(c2ccccc2)c2cccc3c2N(CC(F)(F)CO3)C1=O.,O=C(NC1N=C(c2ccccc2)c2cccc3c2N(CC(F)(F)CO3)C1=O)C(CCC(F)(F)F)CC1CC1
LogP,Please optimize the molecule COCC(C)N1C(=O)C(C(C)C)[NH2+]C1c1ccc(F)cc1 to have a higher LogP value.,COCC(C)N1C(=O)C(C(C)(C)c2ccccc2)[NH2+]C1c1ccc(F)cc1
MR,Modify the molecule CC=CC=CC#CC=CC(C)(CCCCC)OC to have a higher MR value.,CCCCCC(C)(C=CC#CC=CC=C(C)c1ccccc1)OC
QED,Optimize the molecule COC(=O)c1cc2n(n1)CC[NH+](Cc1cc3ccc(F)cc3[nH]c1=O)C2 to have a lower QED value.,COC(=O)c1cc2n(n1)CC[NH+](Cc1cc3ccc(NO)cc3[nH]c1=O)C2
AtomNum,"There is a molecule consisting of 18 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",Cc1ccc(NC(=O)CSCc2cc(Cl)c3c(c2)OCCO3)cc1
BondNum,"There is a molecule with 19 single bonds, 2 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",O=C(C[N+]12CCC(CC1)CC2OC(=O)C(Nc1ccc(F)cc1)c1ccccc1)c1cccs1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 halo groups, and 1 sulfide group.",CC[NH2+]C(c1cc(Br)c(Cl)s1)c1ccccc1CC
AddComponent,Please add a hydroxyl to the molecule CCCCN(CCCC)C(=O)NCCc1ccccc1F.,CCCCN(CCC(C)O)C(=O)NCCc1ccccc1F
SubComponent,Substitute a halo in the molecule CCOc1ccccc1OCCOc1ccc(Br)cc1C#N with a nitrile.,CCOc1ccccc1OCCOc1ccc(C#N)cc1C#N
DelComponent,Modify the molecule COCCC(C)Nc1cc(C)[nH+]cc1C(=O)[O-] by removing a amine.,COCCC(C)c1cc(C)[nH+]cc1C(=O)[O-]
LogP,Please optimize the molecule CCCNC(=O)NCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 to have a higher LogP value.,CCCNC(=O)NCCc1ccc(S(=O)(=O)c2ccccc2)cc1
MR,Modify the molecule CC(C)C(=O)NS(=O)(=O)c1cc(Cl)cc(CI)c1 to increase its MR value.,CC(C)C(=O)NS(=O)(=O)c1cc(CI)cc(C(=O)[OH])c1
QED,Modify the molecule O=C([O-])CNc1cccc(F)c1I to decrease its QED value.,ONc1cccc(NCC(=O)[O-])c1I
AtomNum,"There is a molecule composed of 25 carbon atoms, 3 oxygen atoms, 8 nitrogen atoms, and 1 sulfur atom.",Cc1ccc(S(=O)(=O)n2ccc3cc(Nc4nc5cccc(C[NH+]6CCNC(=O)C6)n5n4)cnc32)cc1
BondNum,"The molecule has 14 single bonds, 1 double bond, and 1 rotatable bond.",CC1COC(C)(C)CN1C(=O)C(C)(C)[NH3+]
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 2 halo groups, and 1 sulfide group.",COc1cccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)c1
AddComponent,Modify the molecule CSCCC(NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2)nc1 by adding a benzene ring.,CSCCC(NC(=O)c1cccc([N+](=O)[O-])c1-c1ccccc1)C(=O)Nc1ccc(N2CCCC2)nc1
SubComponent,Modify the molecule halo by substituting a O=C(COc1nc(Cl)c(Cl)cc1Cl)NNS(=O)(=O)c1ccc(Cl)cc1 with a nitrile.,N#Cc1nc(OCC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl
DelComponent,Please remove a carboxyl from the molecule O=C(C[n+]1ccc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)CSc4cc(Cl)ccc4Cl)C3SC2)cc1)NC(CO)C(=O)O.,O=C(C[n+]1ccc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)CSc4cc(Cl)ccc4Cl)C3SC2)cc1)NCCO
LogP,Modify the molecule CC(C)(C)OC(=O)N1CCN(C(=O)Cn2sc3cccc(F)c3c2=O)CC1 to have a lower LogP value.,CC(C)(C)OC(=O)N1CCN(C(=O)Cn2sc3cccc(C#N)c3c2=O)CC1
MR,Modify the molecule COCc1nc(CCOc2cccc(C)c2C)sc1C#N to decrease its MR value.,CCOCCc1nc(COC)c(C#N)s1
QED,Optimize the molecule O=CNC=Cc1cnc2c(O)cccc2c1 to have a higher QED value.,O=CNC=Cc1cnc2c(Br)cccc2c1
AtomNum,"There is a molecule with 16 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCCN(CCO)C(=O)c1cccc(N2CCCS2(=O)=O)c1
BondNum,"Please generate a molecule with 12 single bonds, 8 rotatable bonds, and 5 aromatic bonds.",CCn1cc(CC(CSCC(C)C)NN)cn1
FunctionalGroup,"There is a molecule with 2 hydroxyl groups, and 1 amine group.",Cc1ccc(O)c(Cn2c(NCC(O)C[NH3+])nc3ccccc32)n1
AddComponent,Please add a hydroxyl to the molecule c1ccc(N2CC[NH+](CCC3CCc4c3cnn4-c3ccccc3)CC2)cc1.,OC1CC(CC[NH+]2CCN(c3ccccc3)CC2)c2cnn(-c3ccccc3)c21
SubComponent,Please substitute a CN(CCCNC(=O)C=Cc1cccc2ccccc12)CC(F)(F)F in the molecule halo with a nitrile.,CN(CCCNC(=O)C=Cc1cccc2ccccc12)CC(F)(F)C#N
DelComponent,Remove a nitrile from the molecule COC(=O)C(C#N)=Cc1ccc(OC(=O)OC(C)(C)C)c(OC)c1.,COC(=O)C=Cc1ccc(OC(=O)OC(C)(C)C)c(OC)c1
LogP,Optimize the molecule CC1CC(C#N)(C(=O)N2CCCC([NH+](C)C)C2)C1 to have a higher LogP value.,CC1CC(C#N)(C(=O)N2CCCC([NH+](C)C)C2)C1c1ccccc1
MR,Modify the molecule CC(C)(C)NC(=O)C(=O)C1CCCN1C(=O)c1ccccc1 to have a higher MR value.,CC(C)(C)NC(=O)C(=O)C1CC(c2ccccc2)CN1C(=O)c1ccccc1
QED,Please optimize the molecule NC(=O)NCCCC(NNC(CCC([NH3+])C(N)=O)C(=O)[O-])C(=O)[O-] to have a lower QED value.,NC(=O)NCCC(C(=O)O)C(NNC(CCC([NH3+])C(N)=O)C(=O)[O-])C(=O)[O-]
AtomNum,"There is a molecule composed of 17 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC(C)C(NC(=O)c1ccco1)C(=O)N1CCCC(C(C)[NH3+])C1
BondNum,"There is a molecule with 6 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",C=CC(=O)Cc1cnccc1-c1ccccc1[N+](=O)[O-]
FunctionalGroup,"Please generate a molecule composed of 4 benzene ring groups, and 1 nitrile group.",N#Cc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1
AddComponent,Modify the molecule O=C(CN1C(=O)NC2(CCSC2)C1=O)N1CCCCC1 by adding a thiol.,O=C(CN1C(=O)NC2(CSC(S)C2)C1=O)N1CCCCC1
SubComponent,Modify the molecule halo by substituting a Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1noc(C)c1COc1ccccc1F with a aldehyde.,CC(=O)c1ccc(Cn2nc(C)c(NC(=O)c3noc(C)c3COc3ccccc3F)c2C)c(Cl)c1
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br.,CCNC(=O)CCC(=O)NNC(=O)c1ccc(OCC)c(Br)c1
LogP,Modify the molecule CCc1nc2ccn(CC(=O)OCc3ccccc3)c(=O)c2n1C1CCc2cc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc21 to have a lower LogP value.,CCc1nc2ccn(CC(=O)OCc3ccccc3)c(=O)c2n1C1CCc2cc(-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc21
MR,Please modify the molecule Cc1ccc(C)c(N(CCCC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 to decrease its MR value.,Cc1ccc(C)c(N(CCCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1
QED,Modify the molecule CCc1nsc(N2CCN(C(NCc3cnn(-c4ccccc4)c3)=[NH+]C)CC2)n1 to have a lower QED value.,CCc1nsc(N2CCN(C(NCc3cnn(-c4cccc(-c5ccccc5)c4)c3)=[NH+]C)CC2)n1
AtomNum,"There is a molecule with 21 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",NC(=O)c1cccc(Cc2c[nH]c(=S)n2C2CCc3c(F)cc(F)cc3C2)c1
BondNum,"Please generate a molecule consisting 4 single bonds, 1 double bond, 2 rotatable bonds, and 5 aromatic bonds.",O=Cc1no[n+]([O-])c1CCl
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 aldehyde group, and 1 nitro group.",Cc1nc([N+](=O)[O-])c(-c2cccc(C=O)c2)n1CCc1ccccc1
AddComponent,Modify the molecule CC1CC[NH+](CCCCNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)CC1 by adding a nitrile.,CC1CC[NH+](CCCCNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2C#N)CC1
SubComponent,Modify the molecule Cc1noc(C)c1C[NH+]1CC(F)CC1CNC(=O)c1cc(C2CC2)no1 by substituting a halo with a nitro.,Cc1noc(C)c1C[NH+]1CC(NO)CC1CNC(=O)c1cc(C2CC2)no1
DelComponent,Modify the molecule benzene ring by removing a CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccccc3)n(Cc3cccc4ccccc34)nc21.,CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3cccc4ccccc34)nc21
LogP,Optimize the molecule NC(=[NH+]O)C1CCCC[NH+]1Cc1ccc(F)c(Br)c1 to have a higher LogP value.,NC(O)C1CCCC[NH+]1Cc1ccc(F)c(Br)c1
MR,Please optimize the molecule CCCN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1N to have a lower MR value.,CCCN(CC[NH+](C)C)C(=O)c1ccccc1N
QED,Optimize the molecule O=S(=O)(NCCCN1CC[NH2+]CC1)c1ccc(F)c(F)c1F to have a lower QED value.,O=S(=O)(NCCCN1CC[NH2+]C(O)C1)c1ccc(F)c(F)c1F
AtomNum,"The molecule consists of 18 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",NC(=O)CSc1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2
BondNum,"Please generate a molecule composed of 10 single bonds, 2 double bonds, 5 rotatable bonds, and 17 aromatic bonds.",CC(NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 1 hydroxyl group.",CCc1nnnn1-c1cc(OC(=O)NCC(C)O)cc(-c2ccc(C)cc2)c1
AddComponent,Modify the molecule O=CN(O)CC1CC2CCCC23CCC(C(=O)NC(=O)NCCCCO)N3C1=O by adding a benzene ring.,O=CN(O)CC1(c2ccccc2)CC2CCCC23CCC(C(=O)NC(=O)NCCCCO)N3C1=O
SubComponent,Modify the molecule halo by substituting a O=C1CCC(NC(=O)Cc2cccc(C(F)(F)F)c2)CN1 with a nitro.,ONC(F)(F)c1cccc(CC(=O)NC2CCC(=O)NC2)c1
DelComponent,Remove a amine from the molecule Cc1cccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1.,Cc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1
LogP,Modify the molecule Cc1nc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn2c(-c2cc(F)c3c(c2C)CCCO3)c1C(OC(C)(C)C)C(=O)[O-] to decrease its LogP value.,Cc1nc2cc(C(=O)N3CCN(c4ccc(NO)cc4)CC3)nn2c(-c2cc(F)c3c(c2C)CCCO3)c1C(OC(C)(C)C)C(=O)[O-]
MR,Modify the molecule COCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1 to decrease its MR value.,COCCS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
QED,Modify the molecule C#CC(O)C1CCC2(O)C3CCC4(O)CC(OC5OC(C)C(OCOC)C6OC(C)(C)OC56)CC5OC(C)(C)OCC54C3C(OCOC)CC12C to increase its QED value.,CC(=O)C(C#C)C1CCC2(O)C3CCC4(O)CC(OC5OC(C)C(OCOC)C6OC(C)(C)OC56)CC5OC(C)(C)OCC54C3C(OCOC)CC12C
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1
BondNum,"Please generate a molecule consisting 14 single bonds, 3 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",O=C(Cn1nnc2ccccc2c1=O)NCCC(=O)N1CCN(c2ccccc2)CC1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 1 ester group, 3 amide groups, 1 amine group, 1 thioether group, and 1 sulfide group.",Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)CC(Sc4cccc(N)c4)C3=O)cc2)c1
AddComponent,Modify the molecule CCCc1[nH+]cc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCOCC)cc3)n2)n1C by adding a carboxyl.,CCCc1[nH+]cc(-c2nc(Nc3ccc(S(=O)(=O)NCCOCC)cc3)ncc2C(=O)O)n1C
SubComponent,Please substitute a halo in the molecule CN1CC[NH+](CCNc2nccc(-c3ccc(C(=O)NCCc4ccc(Cl)cc4Cl)s3)n2)CC1 with a hydroxyl.,CN1CC[NH+](CCNc2nccc(-c3ccc(C(=O)NCCc4ccc(O)cc4Cl)s3)n2)CC1
DelComponent,Modify the molecule halo by removing a N#Cc1ccc2nnc(C3CCC(F)(F)C3)n2c1.,N#Cc1ccc2nnc(C3CCC(F)C3)n2c1
LogP,Modify the molecule Cc1ccccc1SCC(=O)N1CCC(CC(=O)[O-])C1 to have a lower LogP value.,CSCC(=O)N1CCC(CC(=O)[O-])C1
MR,Please modify the molecule Clc1ccc(-c2[nH+]cc3cc(Br)ccn23)cc1 to increase its MR value.,Clc1ccc(-c2[nH+]c(-c3ccccc3)c3cc(Br)ccn23)cc1
QED,Optimize the molecule OCCC(I)CC(F)(F)C(F)(F)C(F)(F)F to have a lower QED value.,CC(=O)CCC(I)CC(F)(F)C(F)(F)C(F)(F)F
AtomNum,"Please generate a molecule with 19 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",CC(=O)c1ccc(N2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1
BondNum,"Please generate a molecule composed of 34 single bonds, 2 double bonds, 28 rotatable bonds, and 6 aromatic bonds.",CCCCCCCCCCCCCCCCOc1ccc(C=COC(=O)NCCC[Si](OCC)(OCC)OCC)cc1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 halo group, 1 thioether group, and 1 sulfide group.",CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(Cl)c(OCC)c(OC)c1
AddComponent,Add a carboxyl to the molecule CCNC(NCCCC[NH+]1CCN(CC)CC1)=[NH+]Cc1c(C)nn(C)c1C.,CCN1CC[NH+](CCCCNC(NC(C)C(=O)O)=[NH+]Cc2c(C)nn(C)c2C)CC1
SubComponent,Substitute a C=C1[NH+]=C2Nc3c(OCCC)cccc3SC2=CN1C1OC(COC)C(OC)C1F in the molecule halo with a nitro.,C=C1[NH+]=C2Nc3c(OCCC)cccc3SC2=CN1C1OC(COC)C(OC)C1NO
DelComponent,Remove a amide from the molecule CCC(CC)C(=O)N1CCC(NC(=O)N2CCN(c3ncccn3)CC2)CC1.,CCC1CC(NC(=O)N2CCN(c3ncccn3)CC2)CCC1C
LogP,Modify the molecule CCOc1ccccc1N1CSC2=C(C#N)C(c3ccc(OCc4ccccc4Cl)cc3)CC(=O)N2C1 to decrease its LogP value.,CCON1CSC2=C(C#N)C(c3ccc(OCc4ccccc4Cl)cc3)CC(=O)N2C1
MR,Modify the molecule O=C(CCNc1ccccc1F)Nc1ccc(F)cc1 to have a higher MR value.,N#Cc1ccccc1NCCC(=O)Nc1ccc(F)cc1
QED,Optimize the molecule CN1C(=O)C(Cc2ccc(O)cc2)NC(=O)CNC(=O)C(Cc2ccc3ccccc3c2)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C1CCCNC(=O)c1ccc(NC(=O)CNC(=O)CN(CC[NH2+]CC(=O)[O-])CCN(CC[NH2+]CC(=O)[O-])CC(=O)[O-])cc1 to have a higher QED value.,CN1C(=O)C(Cc2ccc(O)cc2)NC(=O)CNC(=O)C(Cc2ccc3ccccc3c2)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C1CCCNC(=O)NC(=O)CNC(=O)CN(CC[NH2+]CC(=O)[O-])CCN(CC[NH2+]CC(=O)[O-])CC(=O)[O-]
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 1 boron atom.",Cc1cn(C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1
BondNum,"There is a molecule with 18 single bonds, 1 double bond, and 9 rotatable bonds.",COCCN(CCC[NH3+])C(=O)CCC1CCCCC1
FunctionalGroup,"Please generate a molecule consisting 1 halo group, 1 sulfide group, and 1 sulfone group.",O=c1cc(C[NH+]2Cc3ccccc3C2)occ1OCC1CN(S(=O)(=O)c2csc(Cl)c2)C1
AddComponent,Please add a hydroxyl to the molecule CC(C)CC1(CNS(=O)(=O)C2CCCNC2)CCCC1.,CC(C)CC1(CNS(=O)(=O)C2CCCNC2)CCC(O)C1
SubComponent,Please substitute a O=[N+]([O-])c1cnc(Cl)nc1N1CCn2cnnc2C1 in the molecule halo with a nitrile.,N#Cc1ncc([N+](=O)[O-])c(N2CCn3cnnc3C2)n1
DelComponent,Please remove a benzene ring from the molecule Fc1cc(Br)cnc1OCCCc1ccccc1.,CCCOc1ncc(Br)cc1F
LogP,Modify the molecule Cc1ccc(Cn2c(=O)c3ccccc3n3c(SC(=O)c4ccccc4C(F)(F)F)nnc23)cc1 to have a lower LogP value.,CC(=O)C(F)(F)c1ccccc1C(=O)Sc1nnc2n(Cc3ccc(C)cc3)c(=O)c3ccccc3n12
MR,Please optimize the molecule Nc1ccc(-c2nnc3n2CCCCC3)c(Cl)c1 to have a higher MR value.,Nc1ccc(-c2nnc3n2CCCCC3)c(Cl)c1O
QED,Modify the molecule CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)C(C)c2ccc(F)c(F)c2)cc1 to decrease its QED value.,CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)C(C)c2ccc(C(=O)[OH])c(F)c2)cc1
AtomNum,"The molecule consists of 12 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1ccnn1C
BondNum,"The molecule contains 8 single bonds, 1 double bond, 3 rotatable bonds, and 15 aromatic bonds.",O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1cnns1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 ester group.",Cc1ccccc1-n1nc(C(C)C)cc1OC(=O)c1ccco1
AddComponent,Modify the molecule Cc1nc2c(NC(=O)C3CCCO3)cccn2c1C by adding a benzene ring.,Cc1nc2c(NC(=O)C3(c4ccccc4)CCCO3)cccn2c1C
SubComponent,Substitute a halo in the molecule CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCS(=O)(=O)[O-])s2)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 with a carboxyl.,CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCS(=O)(=O)[O-])s2)C(=O)Nc2ccc(-c3ccc(C(=O)[OH])cc3Cl)cc2)cc1
DelComponent,Please remove a CC1CCC(C(C)C)C([NH+](Cc2ccc(O)c(C[NH+](C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)c2C[NH+](C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C1 from the molecule hydroxyl.,CC1CCC(C(C)C)C([NH+](Cc2cccc(C[NH+](C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)c2C[NH+](C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C1
LogP,Please optimize the molecule Nc1cc(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CC([NH3+])C4)c(Br)c32)c(CO)cc1F to have a lower LogP value.,Nc1cc(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CC([NH3+])C4)cc32)c(CO)cc1F
MR,Please modify the molecule CC(Br)C(=O)c1cc(Br)cc(C#N)c1 to decrease its MR value.,CC(Br)C(=O)c1cccc(C#N)c1
QED,Optimize the molecule O=S(=O)(NCC1(CCO)CC1)N1CCCCCC1 to have a higher QED value.,CC(=O)CCC1(CNS(=O)(=O)N2CCCCCC2)CC1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COCCCn1cnnc1SCC(=O)N1c2ccccc2CCc2ccccc21
BondNum,"Please generate a molecule with 12 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",O=[N+]([O-])c1cnc(N2CCCC(Cn3cncn3)C2)c(Cl)c1
FunctionalGroup,"There is a molecule with 1 amine group, and 1 nitrile group.",N#CC(NC1CC1)c1ccncc1
AddComponent,Add a hydroxyl to the molecule CCCNc1ncc(Cl)c(NC2CCOC(C)C2)n1.,CCCNc1ncc(Cl)c(NC2CC(C)OCC2O)n1
SubComponent,Please substitute a halo in the molecule COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(OC(C)C)c2)c2ccc(F)cc2)cc1 with a carboxyl.,COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(OC(C)C)c2)c2ccc(C(=O)[OH])cc2)cc1
DelComponent,Please remove a halo from the molecule Cn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccc(F)cc1.,Cn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccccc1
LogP,Please optimize the molecule CCc1ccc(OC(=O)c2ccc(C3CCC(CC)CC3)cc2)cc1 to have a lower LogP value.,CCOC(=O)c1ccc(C2CCC(CC)CC2)cc1
MR,Modify the molecule COc1ccc(NC(=O)CC[NH+]2CCC(O)C2)cc1 to have a higher MR value.,COc1ccc(NC(=O)CC[NH+]2CCC(S)C2)cc1
QED,Optimize the molecule CNc1cncc(NCc2cnn(C)c2C)n1 to have a higher QED value.,Cc1cncc(NCc2cnn(C)c2C)n1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cc1nccn1-c1cc2n[nH]c(=O)n2c(C)n1
BondNum,"The molecule is composed of 11 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CN1CCCC([NH3+])(Cc2ccc(Br)cc2)C1
FunctionalGroup,"The molecule consists of 1 amide group, 2 thioether groups, 2 sulfide groups, and 1 sulfone group.",CC(C)n1ncc2cc(NC(=O)c3sccc3S(=O)(=O)N3CCSCC3)cnc21
AddComponent,Please add a benzene ring to the molecule CNS(=O)(=O)c1cc(C(=O)OCCOc2ccc(C(C)C)c(C)c2)ccc1Cl.,CNS(=O)(=O)c1cc(C(=O)OCCOc2ccc(C(C)(C)c3ccccc3)c(C)c2)ccc1Cl
SubComponent,Modify the molecule C#CCC([NH3+])C(=O)NCC(O)c1ccccc1 by substituting a hydroxyl with a aldehyde.,CC(=O)C(CNC(=O)C([NH3+])CC#C)c1ccccc1
DelComponent,Remove a amide from the molecule CCCOc1cccc(N2C(=O)C(Nc3ccccc3C(F)(F)F)=C(Sc3ccc(C)cc3)C2=O)c1.,CCCOc1cccc([SH](C(=O)CNc2ccccc2C(F)(F)F)c2ccc(C)cc2)c1
LogP,Modify the molecule Cc1c(F)cc(C(=O)NCC(F)F)cc1S(N)(=O)=O to decrease its LogP value.,Cc1c(F)cc(C(=O)NCCF)cc1S(N)(=O)=O
MR,Please modify the molecule c1cc(C2CC[NH2+]CC2)n2nncc2c1 to increase its MR value.,Oc1cc(C2CC[NH2+]CC2)n2nncc2c1
QED,Modify the molecule c1ccc(N(c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1 to have a higher QED value.,c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(Nc5ccc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)cc4)cc32)cc1
AtomNum,"There is a molecule with 11 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC1CC[NH2+]C1C(=O)N(C)C1CCOC1
BondNum,"There is a molecule with 7 single bonds, 1 double bond, 4 rotatable bonds, and 27 aromatic bonds.",Cc1cc(-c2ccc(NC(=O)Cc3ccc4c(c3)c3ccccc3n4C)cc2)ccn1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 2 sulfone groups.",COc1c(C)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]
AddComponent,Modify the molecule CC(C)Oc1cc(C(F)(F)F)cc2c1OC[NH+](C(C)C)C2 by adding a benzene ring.,CC(C)Oc1cc(C(F)(F)F)c(-c2ccccc2)c2c1OC[NH+](C(C)C)C2
SubComponent,Please substitute a COc1ccc(C2C(=C([O-])c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccc(F)c(F)c2)cc1O in the molecule halo with a thiol.,COc1ccc(C2C(=C([O-])c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccc(S)c(F)c2)cc1O
DelComponent,Modify the molecule amine by removing a C=CC([NH+]=C(C(C(=C)C)=C(C=NC)C1CC1)N1CC[NH2+]CC1)=c1ccnc2c1=CC(c1ccccc1OC)=N2.,C=CC(=c1ccnc2c1=CC(c1ccccc1OC)=N2)C(C(C(=C)C)=C(C=NC)C1CC1)N1CC[NH2+]CC1
LogP,Optimize the molecule CCOc1cc(C2C(C(=O)N3CCCCC3)=C(C)N=C3CCCC(=O)C32)cc(Br)c1O to have a higher LogP value.,CCOc1cc(Br)cc(C2C(C(=O)N3CCCCC3)=C(C)N=C3CCCC(=O)C32)c1
MR,Please modify the molecule CC1CC1CN(C)C(=O)Cn1cccc1C(=O)[O-] to decrease its MR value.,CC1CC1C(C)n1cccc1C(=O)[O-]
QED,Modify the molecule CC(C)(C)OC(=O)CC1C(=O)C=CN(C(=O)[O-])C1c1ccc(C(F)(F)F)cc1 to decrease its QED value.,CC(C)(C)OC(=O)CC1C(=O)C=CN(C(=O)[O-])C1C(F)(F)F
AtomNum,"Please generate a molecule with 22 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1ccccc1C(=O)Nc1ccc(N(C)C)c(C(=O)NCCC[NH+](C)C)c1
BondNum,"Please generate a molecule composed of 9 single bonds, 1 triple bond, 4 rotatable bonds, and 6 aromatic bonds.",CC#CCCC(O)c1ccc(OC)c(Cl)c1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 1 ester group, and 1 halo group.",C=COCOCCc1ccc(-c2ccc(C#Cc3ccc(OCOC(=O)C=C)cc3)cc2F)cc1
AddComponent,Modify the molecule CON(C)Cc1ccc(-c2ccc3c(c2)CN(CCC(C)(C(=O)NO)S(C)(=O)=O)C3=O)c(F)c1 by adding a nitrile.,CON(C)Cc1ccc(-c2ccc3c(c2)CN(CCC(CC#N)(C(=O)NO)S(C)(=O)=O)C3=O)c(F)c1
SubComponent,Please substitute a CC(=NNc1nc(Nc2ccc(Br)cc2)nc(-n2nc(C)cc2C)n1)c1ccc(Br)cc1 in the molecule halo with a nitrile.,CC(=NNc1nc(Nc2ccc(C#N)cc2)nc(-n2nc(C)cc2C)n1)c1ccc(Br)cc1
DelComponent,Please remove a hydroxyl from the molecule CC(O)C(C)(C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12.,CCC(C)(C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12
LogP,Please modify the molecule CCN(CC)c1ccc(NC(=O)OCCc2ccc(Cl)cc2)cc1 to decrease its LogP value.,CCN(CCO)c1ccc(NC(=O)OCCc2ccc(Cl)cc2)cc1
MR,Modify the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(Br)c(C(=O)NC(C)C)c3)CC2)cccc1C(=O)NC(C)C to decrease its MR value.,Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCc3ccc(Br)c(C(=O)NC(C)C)c3)CC2)cccc1C(=O)NC(C)C
QED,Please optimize the molecule CN1CCc2c1ccc(Cl)c2Cl to have a higher QED value.,CN1CCc2c1ccc(O)c2Cl
AtomNum,"The molecule contains 18 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",COc1cc(CNc2cccc(CCC(=O)[O-])c2)ccc1SC
BondNum,"The molecule has 13 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",CN(C)c1ccc(C(=O)C2CC[NH+](C)CC2)cc1F
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 ester group, 1 nitro group, and 1 halo group.",Cc1cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-]
AddComponent,Please add a hydroxyl to the molecule CCCN(CCBr)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-].,O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(CCBr)CCCO
SubComponent,Modify the molecule halo by substituting a CCCC(CCC)n1ccc2cc(C(O)(CC(=O)OCC)C(F)(F)F)ccc21 with a carboxyl.,CCCC(CCC)n1ccc2cc(C(O)(CC(=O)OCC)C(F)(F)C(=O)[OH])ccc21
DelComponent,Remove a CCC(c1ccccc1O)[NH+]1CCC(COC)CC1 from the molecule benzene ring.,CCC(O)[NH+]1CCC(COC)CC1
LogP,Please optimize the molecule Cc1cccc(N2C(=O)C(=Cc3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)c1 to have a lower LogP value.,Cc1cccc(N2C(=O)C(=Cc3ccccc3Oc3ccc([SH]=O)cc3[N+](=O)[O-])SC2=S)c1
MR,Please modify the molecule Cn1c(NCC2CCCC[NH+]2CCn2nc3c(cc2=O)CCCC3)nc2cnccc2c1=O to decrease its MR value.,Cn1c(CC2CCCC[NH+]2CCn2nc3c(cc2=O)CCCC3)nc2cnccc2c1=O
QED,Optimize the molecule O=C(Nc1cccnc1)N1CCC(C(O)C(F)(F)F)CC1 to have a lower QED value.,ONC(F)(F)C(O)C1CCN(C(=O)Nc2cccnc2)CC1
AtomNum,"The molecule is composed of 20 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CC1(C)C2CCC1(C(=O)N1CCC(Nc3ccc4nccn4n3)C1)C(=O)C2
BondNum,"There is a molecule consisting of 15 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",Cc1cc(C(=O)N(C)CCc2ccccn2)c(C)n1C1CCCCC1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 sulfone group.",CCCC1(C(=O)[O-])CCN(S(=O)(=O)c2ccccc2C)C1
AddComponent,Add a amine to the molecule CNc1nc(SC2CCCCC2)cc(C(F)(F)F)n1.,CNc1nc(SC2CCCCC2)c(N)c(C(F)(F)F)n1
SubComponent,Substitute a hydroxyl in the molecule O=C(C[NH+]1CCC(CO)C1)NC1CCCC1 with a nitrile.,N#CCC1CC[NH+](CC(=O)NC2CCCC2)C1
DelComponent,Modify the molecule halo by removing a O=C([O-])C(O)(CSCc1ccccc1)CS(=O)(=O)c1cc(Cl)ccc1-c1ccccc1.,O=C([O-])C(O)(CSCc1ccccc1)CS(=O)(=O)c1ccccc1-c1ccccc1
LogP,Modify the molecule CCN1C(=O)CCC(C(=O)[O-])C1c1cc(Br)ccc1F to have a lower LogP value.,CCN1C(=O)CCC(C(=O)[O-])C1c1cc(C(=O)[OH])ccc1F
MR,Modify the molecule COCCN(C)CC[NH2+]C1CCCc2cc(O)ccc21 to decrease its MR value.,COCCN(C)CC[NH2+]C1CCCc2ccccc21
QED,Modify the molecule CC(C)(C)C(=O)Nc1cccc(Oc2cc3c(c(F)c2F)CCC(C(=O)NO)C3)c1 to have a lower QED value.,CC(C)(C)C(=O)Nc1cccc(Oc2cc3c(c(C(=O)[OH])c2F)CCC(C(=O)NO)C3)c1
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",C=CC(=O)NC1CC(C)N(S(=O)(=O)c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)C(C)C1
BondNum,"There is a molecule consisting of 13 single bonds, 1 double bond, 1 triple bond, 6 rotatable bonds, and 6 aromatic bonds.",CCOCCN(CC)C(=O)c1cc(C)ccc1C#CCO
FunctionalGroup,"Please generate a molecule composed of 1 hydroxyl group, 1 ketone group, 1 amine group, and 1 sulfide group.",Cc1cc(C(O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cnc1C
AddComponent,Please add a hydroxyl to the molecule Cc1cc(C)cc(CSCC(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1.,Cc1cc(CSCC(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc(C)c1O
SubComponent,Please substitute a nitrile in the molecule CC(c1ccco1)[NH+](C)CC(=O)Nc1ccccc1SCC#N with a thiol.,CC(c1ccco1)[NH+](C)CC(=O)Nc1ccccc1SCS
DelComponent,Remove a halo from the molecule Brc1cc2c(cc1Br)OCCOCCOCCOc1ccccc1OCCOCCOCCO2.,Brc1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2
LogP,Please optimize the molecule COCCN(CCC(=O)OC)c1cnnc2ccccc12 to have a higher LogP value.,COCCN(CCC(=O)OC)c1cnnc2cc(-c3ccccc3)ccc12
MR,Please modify the molecule Cc1ccc(CNc2ccc3c(NS(=O)(=O)c4cc(F)cc(F)c4)cccc3n2)s1 to increase its MR value.,Cc1ccc(CNc2ccc3c(NS(=O)(=O)c4cc(F)cc(F)c4C(=O)O)cccc3n2)s1
QED,Modify the molecule N#Cc1ccc(-c2ccc(C[NH3+])s2)s1 to increase its QED value.,N#Cc1ccc(-c2cc(O)c(C[NH3+])s2)s1
AtomNum,"Please generate a molecule consisting 27 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",CCOC(=O)C1CCN(C(=O)c2coc(C[NH+](Cc3ccc(F)cc3)Cc3ccccc3F)n2)CC1
BondNum,"The molecule contains 16 single bonds, 4 double bonds, 7 rotatable bonds, and 22 aromatic bonds.",O=S(=O)(NC1CC[NH+](Cc2ccccc2)C1)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C(F)(F)F)c12
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 halo groups.",Cc1ccc(Cl)c(OCCBr)c1
AddComponent,Add a carboxyl to the molecule O=C(NC(c1ccc2c(c1)OCCO2)C1CC1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1.,O=C(NC(c1ccc2c(c1)OCCO2)C1CC1)c1cccc(NC(=O)C2(C(=O)O)Cc3ccccc3O2)c1
SubComponent,Substitute a nitro in the molecule COC1CC(Nc2ccc(C)c([N+](=O)[O-])c2)C1(C)C with a halo.,COC1CC(Nc2ccc(C)c(I=O)c2)C1(C)C
DelComponent,Please remove a halo from the molecule COc1ccccc1N(CC(=O)NCC1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl.,COc1ccccc1N(CC(=O)NCC1CC1)S(=O)(=O)c1ccccc1Cl
LogP,Modify the molecule N#Cc1c(NC(=O)Cn2ccc3occc3c2=O)sc2c1CCCCC2 to increase its LogP value.,O=C(Cn1ccc2occc2c1=O)Nc1sc2c(c1Cl)CCCCC2
MR,Optimize the molecule Clc1cccc(N2CCN(c3ccc(-c4nc(-c5ccccc5)no4)cn3)CC2)c1 to have a higher MR value.,O=C(O)c1ccc(-c2noc(-c3ccc(N4CCN(c5cccc(Cl)c5)CC4)nc3)n2)cc1
QED,Optimize the molecule CC[NH2+]C(C)(CCCC[NH+]1CC(C)CC1C)C(=O)OC to have a lower QED value.,COC(=O)C(C)(CCCC[NH+]1CC(C)CC1C)[NH2+]CCc1ccccc1
AtomNum,"There is a molecule consisting of 8 carbon atoms, 2 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 chlorine atom.",NC(=[NH2+])SCc1ccc(F)cc1Cl
BondNum,"The molecule is composed of 17 single bonds, 3 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",O=C(OCC(COC(=O)c1cc(Cl)cc(Cl)c1)OC(=O)c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 hydroxyl groups.",[NH3+]C(CO)(c1ccc(O)cc1)C1CC1
AddComponent,Modify the molecule CC(=C(F)CNC(=O)C1CC(F)CN1C(=O)[O-])c1cccc(Cl)c1 by adding a benzene ring.,CC(=C(F)C(NC(=O)C1CC(F)CN1C(=O)[O-])c1ccccc1)c1cccc(Cl)c1
SubComponent,Substitute a O=C(Oc1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1)c1ccccc1F in the molecule halo with a nitrile.,N#Cc1c(Cl)c(Cl)c(Cl)c2c1C(=O)N(c1cccc(OC(=O)c3ccccc3F)c1)C2=O
DelComponent,Remove a amine from the molecule Cn1nnc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2N)n1.,Cn1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2F)n1
LogP,Modify the molecule N#CC(=Cc1cc(O)c(O)c(Cl)c1)C(=O)c1cccs1 to decrease its LogP value.,O=C(C(O)=Cc1cc(O)c(O)c(Cl)c1)c1cccs1
MR,Please modify the molecule C[NH2+]CC(O)CNC(=O)C(CCCNC(=O)C(CCNC(=O)C1Cc2cccc(c2)-c2ccc(O)c(c2)CC([NH2+]C)C(=O)NC(CC(O)C[NH2+]C)C(=O)N1)[NH2+]C)[NH2+]C to increase its MR value.,C[NH2+]CC(O)CNC(=O)C(CCCNC(=O)C(CCNC(=O)C1Cc2cccc(c2)-c2ccc(O)c(c2)CC([NH2+]C)C(=O)NC(CC(O)C[NH2+]C)C(=O)N1)[NH2+]Cc1ccccc1)[NH2+]C
QED,Modify the molecule Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 to decrease its QED value.,Cc1nc(-c2cc(O)ccn2)sc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1
AtomNum,"The molecule has 36 carbon atoms, 8 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",COc1cc(NC(=O)C(C)Sc2cccc(NC(=O)C(=Cc3cc(OC)c(OC)cc3OC)NC(=O)c3ccccc3)c2)cc(OC)c1
BondNum,"The molecule has 17 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CCOc1ccc(F)c(N2CCC3(OCCO3)C(C)C2)c1
FunctionalGroup,"There is a molecule consisting of 2 thioether groups, and 1 sulfide group.",CC[NH2+]C(CC1CCSCC1)c1cnn(CC)c1
AddComponent,Add a amine to the molecule Nc1ccc(CC(=O)Nc2ccncc2Br)cc1.,Nc1ccc(C(N)C(=O)Nc2ccncc2Br)cc1
SubComponent,Please substitute a halo in the molecule Cc1noc(OCC(F)(F)F)c1C with a hydroxyl.,Cc1noc(OCC(O)(F)F)c1C
DelComponent,Modify the molecule amide by removing a COc1cccc(CNC(=O)C(=O)Nc2nccs2)c1.,COc1cccc(CNOc2nccs2)c1
LogP,Please modify the molecule CCn1ccc2c(-c3c(C#N)c(N)nc4c3C[NH2+]CC4)cccc21 to increase its LogP value.,CCn1ccc2c(-c3c(C#N)c(N)nc4c3C[NH2+]CC4)ccc(-c3ccccc3)c21
MR,Optimize the molecule CCCCCCCCCCCC(CC(=O)NCCOC1OC(CO)C(OP(=O)([O-])[O-])C(OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCC)C1(O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCC)OC(=O)CCCCC to have a lower MR value.,CCCCCCCCCCCC(CC(=O)NCCOC1OC(CO)C(OP(=O)([O-])[O-])C(OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCC)C1NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCC)OC(=O)CCCCC
QED,Optimize the molecule O=C(Nc1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)F to have a lower QED value.,CC(=O)C(F)(C(=O)Nc1ccccc1[N+](=O)[O-])C(F)(F)F
AtomNum,"Please generate a molecule with 23 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CCCC(NC(=O)C1CC2(CN1C(=O)C([NH3+])C1CCCCC1)SCCS2)C(O)C(=O)NCC
BondNum,"Please generate a molecule consisting 22 single bonds, 6 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)CC1=C(C(=O)OCC)C2(C(=O)Nc3ccccc32)C(C(=O)OCc2ccccc2)=C([NH3+])O1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amide groups.",O=C(CN1C(=O)NC2(CCOC2)C1=O)NC1(c2ccccc2)CCC1
AddComponent,Please add a benzene ring to the molecule COc1ccccc1C(O)CNC(=O)C(C)([NH3+])c1ccc(Br)cc1.,CC([NH3+])(C(=O)NCC(O)c1ccccc1OCc1ccccc1)c1ccc(Br)cc1
SubComponent,Please substitute a halo in the molecule CCn1nc(C)c(Cl)c1CC1(O)CCCC(C)(C)CC1 with a carboxyl.,CCn1nc(C)c(C(=O)[OH])c1CC1(O)CCCC(C)(C)CC1
DelComponent,Modify the molecule COc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 by removing a halo.,COc1ccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1
LogP,Modify the molecule CCCCCCC=CC1C(CC=CCCC(O)(O)C(=O)OC)CCC1C[NH2+]C to have a higher LogP value.,CCC(CCCC=CC1C(CC=CCCC(O)(O)C(=O)OC)CCC1C[NH2+]C)c1ccccc1
MR,Optimize the molecule O=C(CCCc1nc(-c2ccccn2)no1)NCCCCNc1n[nH]c(=O)c2ccccc12 to have a lower MR value.,O=c1[nH]nc(NCCCCCCc2nc(-c3ccccn3)no2)c2ccccc12
QED,Please optimize the molecule CCCCN(CCC)C(=S)NCCCc1ccccc1 to have a higher QED value.,CCCCN(CCC)C(=S)NCCC
AtomNum,"The molecule is composed of 12 carbon atoms, 1 nitrogen atom, and 1 fluorine atom.",Cc1ccc(NCC(C)(C)C)cc1F
BondNum,"Please generate a molecule consisting 12 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",CSCCc1ccc(NC(=O)C([NH3+])CC(C)C)cc1
FunctionalGroup,The molecule consists of and 1 amine group.,CCc1nn(C)cc1NC(C)CC1CCCC[NH2+]1
AddComponent,Add a hydroxyl to the molecule CNC(=O)C1OC(n2cnc3c(N)nc(C#CCN(C(=O)c4cccnc4)C(C)C)nc32)C(O)C1O.,CNC(=O)C1OC(n2cnc3c(N)nc(C#CC(O)N(C(=O)c4cccnc4)C(C)C)nc32)C(O)C1O
SubComponent,Please substitute a hydroxyl in the molecule Cc1ccc2c(CO)nn(C)c2c1 with a halo.,Cc1ccc2c(CF)nn(C)c2c1
DelComponent,Modify the molecule halo by removing a CC(C)(C)OC(=O)N1CCC(c2cccc(OCc3cccnc3)c2)=C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)C1.,CC(C)(C)OC(=O)N1CCC(c2cccc(OCc3cccnc3)c2)=C(C(=O)N(Cc2ccccc2Cl)C2CC2)C1
LogP,Modify the molecule CCC(NC1CCS(=O)(=O)C1)c1ccc(O)cc1 to have a higher LogP value.,CC(=O)c1ccc(C(CC)NC2CCS(=O)(=O)C2)cc1
MR,Please modify the molecule O=C(NNC(=O)c1ccc(OC(F)F)cc1)c1ccc(Br)cc1 to increase its MR value.,O=C(NNC(=O)c1ccc(OC(O)F)cc1)c1ccc(Br)cc1
QED,Optimize the molecule CCCCOC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 to have a higher QED value.,CCCCOC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccccc1
AtomNum,"The molecule is composed of 26 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 chlorine atom.",N#Cc1ccc(C(O)C[NH+]2CCN(c3ccc(C#N)cc3)C(c3ccc(Cl)cc3)C2)cc1
BondNum,"Please generate a molecule composed of 22 single bonds, 1 double bond, 11 rotatable bonds, and 18 aromatic bonds.",O=C(CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CC[NH+](CCOc2ccc(F)cc2F)CC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 2 halo groups, 1 sulfide group, and 1 sulfone group.",Cc1ccc(C=C2Sc3cc(S(=O)(=O)Cc4c(Br)cccc4Br)ccc3NC2=O)cc1
AddComponent,Please add a hydroxyl to the molecule CCCNC(=O)N1CCN(C(=O)CCc2ccc(C)cc2)CC1.,CCCNC(=O)N1CCN(C(=O)CCc2ccc(C)cc2O)CC1
SubComponent,Please substitute a halo in the molecule CCSCc1ccc(N)cc1Br with a hydroxyl.,CCSCc1ccc(N)cc1O
DelComponent,Please remove a benzene ring from the molecule CCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCc1ccccc1.,CCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NC
LogP,Please optimize the molecule Cc1ccc(NC(=O)c2cccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(C(=O)Nc5ccccc5C)cc4C)CC3)c2C)cc1F to have a lower LogP value.,Cc1ccc(NC(=O)c2cccc(NC(=O)C3CCCN3C(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(C(=O)Nc5ccccc5C)cc4C)CC3)c2C)cc1
MR,Optimize the molecule c1ccc2c(c1)SCC2CC1CCCC1C[NH2+]C1CC1 to have a higher MR value.,NC(C1CSc2ccccc21)C1CCCC1C[NH2+]C1CC1
QED,Please optimize the molecule CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2Cl)CC1 to have a higher QED value.,CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1
AtomNum,"There is a molecule composed of 12 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(CC[NH+](C)CCc1ccc[nH]1)C(=O)[O-]
BondNum,"Please generate a molecule consisting 10 single bonds, 4 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C)c(C(Cc2ccc(Cl)cc2Cl)NN)c(C)c1
FunctionalGroup,"The molecule contains 3 benzene ring groups, 1 ketone group, 1 amide group, and 1 halo group.",Cc1ccc(OCc2c(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)noc2C)cc1
AddComponent,Please add a benzene ring to the molecule CC(S)CC[NH+]1CCCC(C(C)C)C1.,CC(C)C1CCC[NH+](CCC(S)Cc2ccccc2)C1
SubComponent,Substitute a CCNC(NCc1ccc(C(=O)N(C)C)cc1)=[NH+]Cc1ccc(O)c(F)c1 in the molecule hydroxyl with a aldehyde.,CC(=O)c1ccc(C[NH+]=C(NCC)NCc2ccc(C(=O)N(C)C)cc2)cc1F
DelComponent,Modify the molecule nitrile by removing a CSc1nc(C2CC2)cc(C(=O)OC(C)C(=O)NC2CC2)c1C#N.,CSc1cc(C(=O)OC(C)C(=O)NC2CC2)cc(C2CC2)n1
LogP,Modify the molecule N#CCNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 to have a higher LogP value.,N#CCNC(=O)C[NH+]1CCC(OCC(C[NH3+])c2ccccc2)CC1
MR,Modify the molecule CC(C)c1ccc(C2CCOCC2)c(Cl)c1 to have a higher MR value.,CC(C)c1ccc(C2CCOC(c3ccccc3)C2)c(Cl)c1
QED,Please optimize the molecule C1=CCCC(c2ccc3c(c2)c2cc(-c4cccc5c4sc4ccccc45)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C1 to have a higher QED value.,O=C(O)c1ccc2c(-c3ccc(-n4c5ccc(C6=CC=CCC6)cc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc3c(-c3ccccc3)c2c1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CC(C)OCCS(=O)(=O)N1CCN(C(=O)C2CC[NH2+]C2)CC1
BondNum,"There is a molecule with 12 single bonds, 1 double bond, and 8 rotatable bonds.",CCCCCCCOC(=O)C(O)C[NH3+]
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 4 hydroxyl groups, 2 amide groups, 1 halo group, and 2 borane groups.",COCC1=C2C(CCC(=Cc3ccc(O)cc3Cl)c3ccccc3)OB(O)CC2C2C(=O)N(c3cccc(B(O)O)c3)C(=O)C2C1
AddComponent,Add a amine to the molecule CCC(O)(CC)C[NH2+]Cc1ccc(C(N)=[NH+]O)cc1F.,CCC(O)(C[NH2+]Cc1ccc(C(N)=[NH+]O)cc1F)C(C)N
SubComponent,Please substitute a halo in the molecule CC(C)([NH2+]Cc1cnc(N)s1)c1cccc(F)c1 with a aldehyde.,CC(=O)c1cccc(C(C)(C)[NH2+]Cc2cnc(N)s2)c1
DelComponent,Modify the molecule benzene ring by removing a COc1ccc(CC(=O)NC2C[NH2+]Cc3ccccc32)cc1.,COCC(=O)NC1C[NH2+]Cc2ccccc21
LogP,Please modify the molecule Cc1cc(C)c2c(C(=O)N3CCc4nnc(CNC(=O)c5cccc(F)c5)n4CC3)cc(C)nc2c1 to decrease its LogP value.,Cc1cc(C)c2c(C(=O)N3CCn4c(CNC(=O)c5cccc(F)c5)nnc4CC3O)cc(C)nc2c1
MR,Modify the molecule C[NH2+]CC(=O)c1ccccc1NC(N)=O to have a lower MR value.,C[NH2+]CC(=O)NC(N)=O
QED,Please optimize the molecule N#Cc1ccc(COC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1 to have a lower QED value.,CC(=O)c1ccc(COC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1
AtomNum,"The molecule contains 19 carbon atoms, and 2 chlorine atoms.",C=CCC1(CC=C)c2ccc(Cl)cc2-c2cc(Cl)ccc21
BondNum,"The molecule contains 12 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",COc1ccc(Cl)cc1NC1CCCCC1C
FunctionalGroup,Please generate a molecule composed of and 6 halo groups.,CCCCCCCCCC(CCCCCCCCC(CCCCCCCCC)[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl
AddComponent,Please add a amine to the molecule CCOc1ccc(C(OC)=C2C(=O)N(C(C)=O)c3ccc(C(C)=O)cc32)cc1OC.,CCOc1ccc(C(OC)=C2C(=O)N(C(=O)CN)c3ccc(C(C)=O)cc32)cc1OC
SubComponent,Substitute a O=C(C1CC[NH2+]C1)N1CCCCCC1CO in the molecule hydroxyl with a nitro.,ONCC1CCCCCN1C(=O)C1CC[NH2+]C1
DelComponent,Modify the molecule amine by removing a Cc1nnc(-n2ccc(C(C)C)n2)c(C(N)=S)c1C.,Cc1nnc(-n2ccc(C(C)C)n2)c(C=S)c1C
LogP,Please modify the molecule CC1Cc2nc(-c3cccs3)nn2CC1[NH3+] to decrease its LogP value.,CC1Cc2nc(-c3sccc3C#N)nn2CC1[NH3+]
MR,Please optimize the molecule Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(C)NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)CC1 to have a lower MR value.,Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(C)NC(=O)C1CC[NH+](Cc2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)CC1
QED,Please modify the molecule CC(O)C1CCN(C(=O)C2CCCC(C[NH3+])C2)C1 to increase its QED value.,CC(F)C1CCN(C(=O)C2CCCC(C[NH3+])C2)C1
AtomNum,"Please generate a molecule with 17 carbon atoms, 2 nitrogen atoms, and 1 bromine atom.",CC(C)(C)[NH2+]CC(Cc1ccc(Br)cn1)C1CCCC1
BondNum,"The molecule contains 22 single bonds, 2 double bonds, 1 triple bond, 6 rotatable bonds, and 11 aromatic bonds.",COC(=O)N1CC2CCC(CN(CC#N)Cc3cccc4ccccc34)CC2CC1C(=O)[O-]
FunctionalGroup,Please generate a molecule with and 2 benzene ring groups.,c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3nc4c5c(nccc5c3c2)-c2ccccc2N4c2ccccc2)cc1
AddComponent,Please add a carboxyl to the molecule CC1(C)CCN(C(=O)c2c(F)ccc(S(N)(=O)=O)c2F)C1.,CC1(C)CN(C(=O)c2c(F)ccc(S(N)(=O)=O)c2F)CC1C(=O)O
SubComponent,Please substitute a halo in the molecule O=C(CCl)NC12CC3CC(C1)C(NC(=O)OCC1c4ccccc4-c4ccccc41)C(C3)C2 with a nitro.,ONCC(=O)NC12CC3CC(C1)C(NC(=O)OCC1c4ccccc4-c4ccccc41)C(C3)C2
DelComponent,Please remove a benzene ring from the molecule O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCc1ccccc1.,CCNC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O
LogP,Please optimize the molecule C[NH2+]CC(C)C(=O)Nc1ccc(F)c(F)c1 to have a lower LogP value.,C[NH2+]C(N)C(C)C(=O)Nc1ccc(F)c(F)c1
MR,Please modify the molecule CCc1cn(CC2Cc3cc(F)ccc3O2)c(=O)[nH]c1=O to increase its MR value.,CCc1cn(CC2Cc3ccccc3O2)c(=O)[nH]c1=O
QED,Modify the molecule C[NH2+]Cc1c(C)nn(C)c1N1CCCC([NH+](C)C)C1 to decrease its QED value.,C[NH2+]Cc1c(C)nn(C)c1N1CCCC([NH+](C)C)C1O
AtomNum,"There is a molecule with 19 carbon atoms, 2 oxygen atoms, and 7 nitrogen atoms.",CCc1nncn1CCNC(=NCC(C)[NH+]1CCOCC1)NCC1CCOC1
BondNum,"Please generate a molecule composed of 20 single bonds, 1 double bond, 4 rotatable bonds, and 5 aromatic bonds.",CC(NC(=O)NC1CCCOC1c1cnn(C)c1)C1CCOCC1
FunctionalGroup,The molecule contains and 2 amide groups.,COCCN1C(=O)COC2CN(C(=O)c3ncccn3)CC21
AddComponent,Please add a nitrile to the molecule CCCC(OC)c1noc(C2C[NH2+]CCO2)n1.,CCCC(OC)c1noc(C2(C#N)C[NH2+]CCO2)n1
SubComponent,Substitute a halo in the molecule CCC(CC)n1cc(NC(=O)C[NH3+])c(=O)c2cc(F)c(NC3CCCCC3)cc21 with a thiol.,CCC(CC)n1cc(NC(=O)C[NH3+])c(=O)c2cc(S)c(NC3CCCCC3)cc21
DelComponent,Remove a amide from the molecule COc1ccc(C(=O)N2CC(CO)C([NH+](C)C)C2)c(OC)c1.,COc1cc2CC([NH+](C)C)C(CO)Cc-2(OC)c1
LogP,Please optimize the molecule CC1C[NH+](CCNc2ncnc3c2cnn3CCO)CC(C)O1 to have a lower LogP value.,CC1C[NH+](CCNc2ncnc3c2cnn3C(O)CO)CC(C)O1
MR,Optimize the molecule COC(=O)c1c(Oc2nc(OC)cc(OC)n2)cccc1C(C)=NOCc1ccccc1 to have a higher MR value.,COC(=O)c1c(Oc2nc(OC)cc(OC)n2)cccc1C(C)=NOCc1ccccc1N
QED,Please optimize the molecule Cc1cc(O)ccc1NC(=O)NCCN1C(=O)CSC1=O to have a higher QED value.,Cc1cc(C(=O)[OH])ccc1NC(=O)NCCN1C(=O)CSC1=O
AtomNum,"There is a molecule consisting of 21 carbon atoms, and 5 oxygen atoms.",C=CCc1cc(OC)c2c(c1)C(O)CC(c1ccc(OC)c(OC)c1)O2
BondNum,"Please generate a molecule consisting 14 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(-n2c(Cc3ccccc3)nn(C[NH+]3CCCC(O)C3)c2=S)c(C)c1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 halo group.",Cc1ccc(Cl)cc1NC(=O)c1cncc(N2CCC(C)CC2)c1
AddComponent,Add a benzene ring to the molecule C[NH2+]Cc1cc(-c2ccc(C(C)C)cc2)[nH]c1C.,C[NH2+]Cc1cc(-c2ccc(C(C)(C)c3ccccc3)cc2)[nH]c1C
SubComponent,Substitute a halo in the molecule CC(F)CC(C)(CNc1ccc(-c2cccc(C(=O)NC3CS(=O)(=O)C3)c2)nn1)c1ncccc1F with a nitro.,CC(CC(C)(CNc1ccc(-c2cccc(C(=O)NC3CS(=O)(=O)C3)c2)nn1)c1ncccc1F)NO
DelComponent,Please remove a Cc1cc(SC(c2cccc(C(F)(F)F)c2)c2cccc3cn[nH]c23)ccc1OCC(=O)[O-] from the molecule halo.,Cc1cc(SC(c2cccc(C(F)F)c2)c2cccc3cn[nH]c23)ccc1OCC(=O)[O-]
LogP,Modify the molecule Cc1c(C2(C(=O)[O-])CC2)cc(Br)c2c1OCCO2 to decrease its LogP value.,Cc1c(C2(C(=O)[O-])CC2)cc(S)c2c1OCCO2
MR,Please optimize the molecule O=C(c1ccc(C2C=C(Br)NO2)cc1)N1CCCC1 to have a lower MR value.,O=C(c1ccc(C2C=CNO2)cc1)N1CCCC1
QED,Optimize the molecule CCn1cncc1C(C[NH3+])OC to have a higher QED value.,CCn1cnc(-c2ccccc2)c1C(C[NH3+])OC
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1nc(C[NH2+]CC(=O)N2CCCCCC2)oc1C
BondNum,"The molecule is composed of 13 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC1CCCC(C(NN)c2cc(Br)ccc2F)C1
FunctionalGroup,The molecule contains and 1 ester group.,CCOC(=O)c1c(C)[nH]c2c(=O)n(C)cc(C#CCc3ncccn3)c12
AddComponent,Modify the molecule CC(CO)Nc1cc(CS(=O)(=O)c2ccncc2)nc(-c2ccc(NC(N)=O)cc2)n1 by adding a hydroxyl.,CC(CO)Nc1cc(CS(=O)(=O)c2ccncc2)nc(-c2ccc(NC(N)=O)c(O)c2)n1
SubComponent,Modify the molecule O=c1c(C=NOC(I)(c2ccccc2)c2ccccc2)cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc12 by substituting a halo with a nitrile.,N#CC(ON=Cc1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O)(c1ccccc1)c1ccccc1
DelComponent,Modify the molecule halo by removing a O=C(c1cncc(Br)c1)c1cccc(N2CCC([NH+]3CCCC3)CC2)n1.,O=C(c1cccnc1)c1cccc(N2CCC([NH+]3CCCC3)CC2)n1
LogP,Please optimize the molecule CCCOc1ccc(C2=C([NH+]3CCOCC3)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 to have a lower LogP value.,CCCOc1ccc(C2=C([NH+]3CCOCC3)C(=O)N(c3cc(NO)ccc3C)C2=O)cc1
MR,Please modify the molecule CCOC(=O)c1cnn(-c2cccc(-c3cc(C(F)F)ccc3OS(=O)(=O)C(F)(F)F)n2)c1C(F)(F)F to increase its MR value.,CCOC(=O)c1cnn(-c2cc(O)cc(-c3cc(C(F)F)ccc3OS(=O)(=O)C(F)(F)F)n2)c1C(F)(F)F
QED,Modify the molecule Brc1ccccc1-c1cccc(-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3c2)c1 to increase its QED value.,Oc1ccc(-c2cccc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)c2)c(Br)c1
AtomNum,"The molecule is composed of 16 carbon atoms, 3 nitrogen atoms, and 2 fluorine atoms.",Cc1nn(Cc2ccc(F)cc2F)c(C)c1C[NH2+]C(C)C
BondNum,"Please generate a molecule with 9 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCCC(CCC)[NH2+]Cc1ccccc1
FunctionalGroup,"The molecule contains 1 hydroxyl group, 3 amide groups, 1 halo group, 2 sulfide groups, and 1 sulfoxide group.",CS(=O)CCCNC(=O)c1csc(-c2csc(CCNC(=O)C(=O)N3CC(CCl)c4c3cc(O)c3ccccc43)n2)n1
AddComponent,Add a benzene ring to the molecule CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1cccc(OC)c1OC.,CCc1cc(C(=O)OCCc2ccccc2)c(NC(=O)COC(=O)c2cccc(OC)c2OC)s1
SubComponent,Modify the molecule O=c1nc[nH]n1CC1(CO)COC1 by substituting a hydroxyl with a nitrile.,N#CCC1(Cn2[nH]cnc2=O)COC1
DelComponent,Modify the molecule benzene ring by removing a CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1.,CCCN(CCC)S(=O)(=O)C(=O)Nc1cc(C)cc(C)c1
LogP,Modify the molecule CCO[Si](OCC)(OCC)C(=CCc1ccccc1)OC to have a lower LogP value.,CC=C(OC)[Si](OCC)(OCC)OCC
MR,Modify the molecule CS(=O)(=O)NCCC(=O)Nc1ccc(N2CCCCC2)cc1 to increase its MR value.,CS(=O)(=O)NCCC(=O)Nc1ccc(N2CCCCC2N)cc1
QED,Modify the molecule CC(=O)N1CCCN=C(c2ccccc2)c2ccccc21 to have a lower QED value.,CC(=O)N1CCCN=Cc2ccccc21
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 1 sulfur atom.",CCC(Nc1snc(N)c1C(N)=O)c1ncc[nH]1
BondNum,"The molecule consists of 30 single bonds, 1 double bond, and 6 rotatable bonds.",CCCCC1CCC(C2CCC3(CC2)CC2(CCC(CCC)CC2)C3=O)CC1
FunctionalGroup,"The molecule has 2 benzene ring groups, 2 amide groups, and 2 halo groups.",CC(C)C(NC(=O)c1ccccc1Cl)C(=O)NN=Cc1ccc(F)cc1
AddComponent,Please add a carboxyl to the molecule Cc1cc(-c2cn[nH]c2C2CCCN(C(=O)C3CC=CCC3)C2)on1.,Cc1cc(-c2cn[nH]c2C2CN(C(=O)C3CC=CCC3)CCC2C(=O)O)on1
SubComponent,Substitute a halo in the molecule COc1ccc(Cl)cc1NC(=O)C(C)Sc1nnc(C2CC2)n1Cc1ccco1 with a thiol.,COc1ccc(S)cc1NC(=O)C(C)Sc1nnc(C2CC2)n1Cc1ccco1
DelComponent,Please remove a CC1=CCC2C[NH2+]C(O)c3cc([nH]c32)-c2cccc3ncc(nc23)NC1 from the molecule hydroxyl.,CC1=CCC2C[NH2+]Cc3cc([nH]c32)-c2cccc3ncc(nc23)NC1
LogP,Please modify the molecule CC(CNc1ccc(Br)cc1C(F)(F)F)CC(C=O)NC(=O)[O-] to decrease its LogP value.,CC(CNc1ccc(C#N)cc1C(F)(F)F)CC(C=O)NC(=O)[O-]
MR,Please optimize the molecule CCOC(=O)Cc1csc(CC(=O)Cc2ccc(Br)cc2C(=O)C2CCCC2)n1 to have a lower MR value.,CCOC(=O)Cc1csc(CC(=O)Cc2ccccc2C(=O)C2CCCC2)n1
QED,Modify the molecule COc1ccc(CNc2cccc(C#N)n2)cc1N to have a lower QED value.,COc1ccc(CNc2cccc(NO)n2)cc1N
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 4 oxygen atoms, and 6 nitrogen atoms.",Cc1nc2nc(N)nn2c(C)c1CCC(=O)OCCN1C(=O)c2ccccc2C1=O
BondNum,"There is a molecule with 15 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",O=C(Cc1csc(NC(=O)NC2CCCC2)n1)NCc1ccccc1Cl
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, 1 thioether group, and 1 sulfide group.",COc1ccc(-c2nc(SCc3ccccc3)ncc2C(=O)N2CCOCC2)cc1OC
AddComponent,Please add a hydroxyl to the molecule CC([NH3+])CCC(=O)C1CCCCCC1.,CC([NH3+])CCC(=O)C1CCCCCC1O
SubComponent,Please substitute a nitrile in the molecule CCc1cccc2c(C(=O)COC(=O)CCc3ccc(C#N)cc3)c[nH]c12 with a thiol.,CCc1cccc2c(C(=O)COC(=O)CCc3ccc(S)cc3)c[nH]c12
DelComponent,Remove a CCOc1ccccc1NC(=O)COC(=O)CN1C(=O)C2C3CCC(C3)C2C1=O from the molecule benzene ring.,CCONC(=O)COC(=O)CN1C(=O)C2C3CCC(C3)C2C1=O
LogP,Please modify the molecule O=C(Nc1cn(C2COC2)nc1-c1ccccn1)c1cccc(-c2cncc(F)c2)n1 to decrease its LogP value.,O=CCc1ccc(-c2nn(C3COC3)cc2NC(=O)c2cccc(-c3cncc(F)c3)n2)nc1
MR,Optimize the molecule CCC1CCN(c2snc(N)c2OC(C)C)C1 to have a lower MR value.,CCC1CCN(c2sncc2OC(C)C)C1
QED,Please modify the molecule Bc1ccc(S(=O)(=O)OC2CC(C(=O)[O-])N(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C2)cc1 to decrease its QED value.,Bc1ccc(S(=O)(=O)OC2CC(C(=O)[O-])N(C(=O)C(NC(=O)OC(C)(C)C)(C(=O)O)C(C)(C)C)C2)cc1
AtomNum,"The molecule is composed of 17 carbon atoms, and 4 nitrogen atoms.",c1nc(NCC2CCC3CCCCC3C2)c2cc[nH]c2n1
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",Cc1c(C)n2c3c(cc(NC(=O)c4ccccc4)cc13)CCC2
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 1 halo group.",Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1nccn1Cc1ccccc1Cl
AddComponent,Modify the molecule Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4cccs4)cc3)nc(C)n2)n1 by adding a hydroxyl.,Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4cccs4)cc3)nc(CO)n2)n1
SubComponent,Substitute a halo in the molecule O=[N+]([O-])c1ccc(C=Nn2c(-c3ccc(Cl)cc3)csc2=Nc2ccc(Cl)cc2Cl)o1 with a nitrile.,N#Cc1ccc(-c2csc(=Nc3ccc(Cl)cc3Cl)n2N=Cc2ccc([N+](=O)[O-])o2)cc1
DelComponent,Modify the molecule O=S(=O)(NOC1CCCC1)c1ccccc1 by removing a amine.,O=S(=O)(OC1CCCC1)c1ccccc1
LogP,Modify the molecule COc1c(CCl)cnc(OC(F)(F)F)c1C(F)F to have a lower LogP value.,COc1c(CCl)c(O)nc(OC(F)(F)F)c1C(F)F
MR,Please modify the molecule CC1(C)Oc2ccccc2C2OC3CCN(C(=O)c4cccnc4)C3CC21 to increase its MR value.,CC1(C)Oc2ccccc2C2OC3C(c4ccccc4)CN(C(=O)c4cccnc4)C3CC21
QED,Modify the molecule CCc1cc(C(=O)[O-])nc(N2CC[NH+](C(C)C)CC2)n1 to decrease its QED value.,CCc1cc(C(=O)[O-])nc(N2CC[NH+](C(C)C)C(O)C2)n1
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 2 sulfur atoms, and 2 chlorine atoms.",CCCSc1nnc(NC(=O)COc2cc(Cl)ccc2Cl)s1
BondNum,"The molecule contains 9 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",COCCN=C(Cc1ccccc1F)N[NH3+]
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amide groups, and 1 halo group.",CC([NH2+]C1CC(=O)N(C(C)C)C1=O)c1ccccc1Cl
AddComponent,Please add a amine to the molecule O=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1ccc(C(=O)c2ccccc2)cc1.,Nc1cc(NC2=C(c3ccc(Cl)cc3)C(=O)NC2=O)ccc1C(=O)c1ccccc1
SubComponent,Substitute a COc1ccc(COc2cc(C(C)=O)cc(F)c2OCc2ccc(OC)cc2)cc1 in the molecule halo with a nitrile.,COc1ccc(COc2cc(C(C)=O)cc(C#N)c2OCc2ccc(OC)cc2)cc1
DelComponent,Please remove a O=C(Nc1ccc(Oc2cccc3c2ccn3CC(=O)N2CC[NH+](C(Cc3ccccc3)C3=COCO3)CC2)nc1)c1ccc(C(F)(F)F)cc1 from the molecule amide.,O=C(Nc1ccc(Oc2cccc3c2ccn3C2CC[NH+](C(Cc3ccccc3)C3=COCO3)C2)nc1)c1ccc(C(F)(F)F)cc1
LogP,Modify the molecule CCOc1ccccc1NS(=O)(=O)c1c(CO)n[nH]c1C to have a higher LogP value.,CCOc1ccccc1NS(=O)(=O)c1c(CC(=O)[OH])n[nH]c1C
MR,Modify the molecule CN(c1ccc(OCC(=O)NCCCC(=NO)c2cccs2)cc1)S(=O)(=O)c1cccs1 to have a higher MR value.,CN(c1ccc(OCC(=O)NCCCC(=NBr)c2cccs2)cc1)S(=O)(=O)c1cccs1
QED,Modify the molecule CCN(c1ccc(NC(=O)COC(=O)c2ccc(OC)cc2OC)cc1)C(C)C to have a lower QED value.,CCN(c1ccc(NC(=O)COC(=O)c2ccc(OCc3ccccc3)cc2OC)cc1)C(C)C
AtomNum,"The molecule contains 23 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1
BondNum,"The molecule consists of 15 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC(C)CCCC(C)NC(=O)c1ccc2c(c1)OCC(=O)N2
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 hydroxyl group.",COCCCN1CCOc2ccc(COC3C[NH2+]CC(OCC(O)COC)C3c3ccc(COCC(C)COC)cc3)cc21
AddComponent,Add a hydroxyl to the molecule OC1(CC2CCOc3ccccc32)CCOCC1.,OC1COCCC1(O)CC1CCOc2ccccc21
SubComponent,Please substitute a hydroxyl in the molecule Cc1nc(C[NH+]2CC(CO)OCC2C)cs1 with a carboxyl.,Cc1nc(C[NH+]2CC(CC(=O)[OH])OCC2C)cs1
DelComponent,Modify the molecule CC[NH+](CCC(N)=S)CC(=O)NC1CCCC1 by removing a amine.,CC[NH+](CCC=S)CC(=O)NC1CCCC1
LogP,Modify the molecule CCc1nc2n(n1)CC([NH2+]C(C)c1nc(-c3cccs3)no1)CC2 to increase its LogP value.,CCc1nc2n(n1)CC([NH2+]C(Cc1ccccc1)c1nc(-c3cccs3)no1)CC2
MR,Optimize the molecule CCCCCCCCCOc1ccc(C=NNC(=S)NC)c(Cl)c1 to have a lower MR value.,CCCCCCCCCOc1ccc(C=NNC(C)=S)c(Cl)c1
QED,Modify the molecule Cc1sc2nc(C)n(C3CCN(C(=O)Cc4ccccc4F)CC3)c(=O)c2c1C to have a higher QED value.,Cc1sc2nc(C)n(C3CCN(C(=O)Cc4ccccc4C(=O)[OH])CC3)c(=O)c2c1C
AtomNum,"The molecule has 26 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1cccc(-n2cccc2)c1
BondNum,"The molecule contains 30 single bonds, 4 double bonds, and 15 rotatable bonds.",CC(=O)OCC1OC(OCCCC(=O)NCCCCCC[NH3+])C([NH3+])C(OC(C)=O)C1OC(C)=O
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 1 thioether group, and 2 sulfide groups.",O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[nH]1)N1c2ccccc2Sc2ccccc21
AddComponent,Please add a benzene ring to the molecule CCNC(=[NH+]Cc1ncnn1C)N1CCN(c2ccccc2OC)CC1.,COc1ccccc1N1CCN(C(NCCc2ccccc2)=[NH+]Cc2ncnn2C)CC1
SubComponent,Substitute a halo in the molecule COc1ccccc1N(CC(=O)N1C(c2ccc(Br)cc2)N1C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 with a nitro.,COc1ccccc1N(CC(=O)N1C(c2ccc(NO)cc2)N1C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
DelComponent,Modify the molecule nitrile by removing a Cc1cccc(-n2ncc3cc(C#N)cnc32)c1.,Cc1cccc(-n2ncc3cccnc32)c1
LogP,Optimize the molecule CC1CCN(c2nc(CCl)cs2)C1 to have a lower LogP value.,CC1CCN(c2nc(CCl)c(C(=O)O)s2)C1
MR,Optimize the molecule CCCCC1(CC)CS(O)(O)c2cc(C[NH2+]CCP(=O)([O-])OC(=O)C(F)(F)F)c(OC)cc2C(c2ccccc2)[NH2+]1 to have a higher MR value.,CCCCC1(CC)CS(O)(O)c2cc(C[NH2+]CC(O)P(=O)([O-])OC(=O)C(F)(F)F)c(OC)cc2C(c2ccccc2)[NH2+]1
QED,Modify the molecule C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(Cl)cc1Cl to have a higher QED value.,C=CC(OCc1ccc(Cl)cc1Cl)C1(OC)C2=C(CC(C)(C)CC2=O)N(CC)C2=C1C(=O)CC(C)(C)C2
AtomNum,"There is a molecule composed of 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 iodine atom.",O=C(c1ccc(I)cc1)N1CC[NH2+]Cc2ccccc21
BondNum,"There is a molecule composed of 11 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC(F)S(=O)(=O)Nc1ccccc1-c1ccc2c(c1)OCCC2=O
FunctionalGroup,"The molecule has 2 amide groups, 2 thioether groups, and 1 sulfide group.",Cn1ccnc1C[NH+]1CCN(C(=O)CN2CSCC2=O)CC1
AddComponent,Please add a nitrile to the molecule O=C([O-])Cn1[nH]cc2c3ccc(Cl)cc3nc-2c1=O.,N#CC(C(=O)[O-])n1[nH]cc2c3ccc(Cl)cc3nc-2c1=O
SubComponent,Substitute a halo in the molecule O=C(Nc1cccc(OC(F)(F)F)c1)NC1CCC(Oc2ccc(F)cc2)CC1 with a carboxyl.,O=C(Nc1cccc(OC(F)(F)C(=O)[OH])c1)NC1CCC(Oc2ccc(F)cc2)CC1
DelComponent,Modify the molecule benzene ring by removing a COc1ccccc1C1CCN(C(=O)NC2CCC3C[NH2+]CC3C2)C1.,COC1CCN(C(=O)NC2CCC3C[NH2+]CC3C2)C1
LogP,Please modify the molecule C=C[NH+](CCc1ccccc1)Cc1ccccc1 to decrease its LogP value.,C=C[NH+](CC)Cc1ccccc1
MR,Modify the molecule CC1CCN(C(=O)c2ccc(F)cc2)CC1Cl to increase its MR value.,CC1CCN(C(=O)c2ccccc2)CC1Cl
QED,Modify the molecule CCOc1ccc(C2CC(c3ccc(C)cc3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 to increase its QED value.,CCOC1CC(c2ccc(C)cc2)=NN1c1nc(-c2ccccc2)c2cc(Cl)ccc2n1
AtomNum,"The molecule is composed of 11 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",O=C(NCCO)c1ccc(-c2cncs2)nc1
BondNum,"The molecule contains 12 single bonds, 1 double bond, 9 rotatable bonds, and 6 aromatic bonds.",Cc1cccc(OCCC(=O)NCCCCCO)c1
FunctionalGroup,"There is a molecule with 1 hydroxyl group, 1 halo group, and 1 sulfone group.",COCC(O)CN(C)S(=O)(=O)CCCl
AddComponent,Add a hydroxyl to the molecule CC(C)CCNC(=O)c1cnc(N2CCN(c3ccccn3)CC2)nc1.,CC(C)(O)CCNC(=O)c1cnc(N2CCN(c3ccccn3)CC2)nc1
SubComponent,Substitute a hydroxyl in the molecule CC(C)CC(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(CCCC[NH3+])NC(=O)C[NH3+])C(=O)N1CCCC1C(=O)NC(C(=O)[O-])C(C)O with a halo.,CC(C)CC(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CI)NC(=O)C(CS)NC(=O)C(CCCC[NH3+])NC(=O)C[NH3+])C(=O)N1CCCC1C(=O)NC(C(=O)[O-])C(C)O
DelComponent,Modify the molecule O=C(NC(=Cc1cccc2ccccc12)C(=O)N1CCCCC1)c1ccccc1 by removing a benzene ring.,O=CNC(=Cc1cccc2ccccc12)C(=O)N1CCCCC1
LogP,Please modify the molecule Cn1cc(CC(=O)CCCc2ccccc2)cn1 to decrease its LogP value.,CCCC(=O)Cc1cnn(C)c1
MR,Modify the molecule CCCS(=O)(=O)N1CC(Oc2ccccc2-c2noc(C)n2)C1 to decrease its MR value.,CCCS(=O)(=O)N1CC(Oc2noc(C)n2)C1
QED,Please modify the molecule Cc1c(OCCCl)c(Br)cc2ncnc(Nc3ccc(F)cc3OC(C)C(F)(F)F)c12 to decrease its QED value.,Cc1c(OCCCl)c(Br)c(O)c2ncnc(Nc3ccc(F)cc3OC(C)C(F)(F)F)c12
AtomNum,"The molecule consists of 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCOc1ccc(OCC)c(NC2CC([NH3+])C2)c1
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, and 10 rotatable bonds.",C=C(C)COCC[NH2+]CCCCC(=O)[O-]
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 amine group, 1 halo group, and 1 sulfone group.",NC(=O)c1c(F)cccc1Oc1ncccc1S(N)(=O)=O
AddComponent,Add a benzene ring to the molecule CCCCCCCCCCOc1c(C#Cc2ccc(OCCC(C)CCCC(C)C)cc2)c(C#Cc2ccc(OCCC(C)CCCC(C)C)cc2)c(C#Cc2ccc(OCCC(C)CCCC(C)C)cc2)c(C#Cc2ccc(OCCC(C)CCCC(C)C)cc2)c1C#Cc1ccc(OCCC(C)CCCC(C)C)cc1.,CCCCC(CCCCCOc1c(C#Cc2ccc(OCCC(C)CCCC(C)C)cc2)c(C#Cc2ccc(OCCC(C)CCCC(C)C)cc2)c(C#Cc2ccc(OCCC(C)CCCC(C)C)cc2)c(C#Cc2ccc(OCCC(C)CCCC(C)C)cc2)c1C#Cc1ccc(OCCC(C)CCCC(C)C)cc1)c1ccccc1
SubComponent,Please substitute a halo in the molecule CCC[NH+]1CCN(c2ccc(C(N)=[NH+]O)cc2Cl)CC1 with a nitrile.,CCC[NH+]1CCN(c2ccc(C(N)=[NH+]O)cc2C#N)CC1
DelComponent,Remove a amide from the molecule Cc1nc2c(cc(OCC(=O)Nc3ccc4c(c3)OCO4)c3ccsc32)s1.,Cc1nc2c(cc(Oc3ccc4c(c3)OCO4)c3ccsc32)s1
LogP,Modify the molecule Fc1cccc2c1CC[NH2+]C2c1ccc2n[nH]nc2c1 to decrease its LogP value.,O=C([OH])c1cccc2c1CC[NH2+]C2c1ccc2n[nH]nc2c1
MR,Please optimize the molecule COC(=O)C(Cc1ccc(OC(F)(F)F)cc1)NC(=O)OC(C)(C)C to have a lower MR value.,COC(=O)C(COC(F)(F)F)NC(=O)OC(C)(C)C
QED,Please optimize the molecule CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1S(=O)(=O)N1CCC3(CC1)OCCO3)c([O-])c2=O to have a lower QED value.,CC1(C)OCCn2c1nc(C(=O)NCc1ccc(C#N)cc1S(=O)(=O)N1CCC3(CC1)OCCO3)c([O-])c2=O
AtomNum,"There is a molecule with 11 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCCC[NH+](C)CC1(C[NH3+])CCOC1
BondNum,"There is a molecule composed of 8 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",S=C(NCCc1cnc[nH]1)Nc1ccc(Cl)cc1Cl
FunctionalGroup,The molecule is composed of and 1 sulfone group.,COC1CC(c2ncn[nH]2)N(S(=O)(=O)c2ccnn2C)C1
AddComponent,Add a amine to the molecule CC(C)c1[nH]ncc1C[NH2+]C1CC1.,CC(C)c1[nH]ncc1C[NH2+]C1CC1N
SubComponent,Substitute a CC(OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl in the molecule halo with a hydroxyl.,CC(OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(O)(F)F)ccc1Cl
DelComponent,Remove a benzene ring from the molecule Cc1cc(C(=O)Nc2cccc(F)c2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)CC1.,Cc1c(NC(=O)C2CC[NH+](C(C)C(=O)N(C)C(=O)Nc3cccc(F)c3)CC2)cccc1C(=O)N1CCOCC1
LogP,Please modify the molecule CCC(N)CS(=O)(=O)CCOCCC(C)C to decrease its LogP value.,CCC(N)CS(=O)(=O)CC(O)OCCC(C)C
MR,Optimize the molecule c1ccc(CSc2n[nH]c(-c3cccnc3)n2)cc1 to have a higher MR value.,Oc1ccccc1CSc1n[nH]c(-c2cccnc2)n1
QED,Modify the molecule CCn1ncc(OC)c1C(=O)C(C)(C)c1ccc(N)cc1 to increase its QED value.,CCn1ncc(OC)c1C(=O)C(C)(C)N
AtomNum,"The molecule consists of 15 carbon atoms, 2 nitrogen atoms, and 2 fluorine atoms.",Cc1ccc(Cc2nc3cc(F)c(F)cc3[nH]2)cc1
BondNum,"Please generate a molecule with 7 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)C(CC=O)c1ccccc1F
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, and 1 halo group.",CCOC(=O)C(C)([NH3+])CCN(CC)c1cccc(F)c1
AddComponent,Add a carboxyl to the molecule COc1ccc(NC(=O)CNC(=O)COc2ccc(Cl)cc2)cc1Cl.,COc1ccc(NC(=O)CNC(=O)COc2ccc(Cl)cc2C(=O)O)cc1Cl
SubComponent,Please substitute a hydroxyl in the molecule Oc1cc2c(cc1O)C1Cc3cc(O)c(O)cc3C(C2)O1 with a halo.,Oc1cc2c(cc1O)C1Cc3cc(Cl)c(O)cc3C(C2)O1
DelComponent,Remove a N#CCc1ccc(OS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 from the molecule halo.,N#CCc1ccc(OS(=O)(=O)c2cccc(Cl)c2)cc1
LogP,Please optimize the molecule COC(=O)c1ccc(C=Cc2ccc(OC)c(OC3CCCC3)c2)cc1 to have a lower LogP value.,COC(=O)c1ccc(C=Cc2ccc(OC)c(OC3CCC(N)C3)c2)cc1
MR,Optimize the molecule Cn1ncc(C2CCC(c3ccc(C4(C(=O)[O-])CC4)cc3)CC2)c1NC(=O)OCc1ccccc1 to have a lower MR value.,Cn1ncc(C2CCC(C3(C(=O)[O-])CC3)CC2)c1NC(=O)OCc1ccccc1
QED,Modify the molecule CCN(c1ccc(F)cc1)c1cc(F)cc([N+](=O)[O-])c1 to have a lower QED value.,CCN(c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1
AtomNum,"The molecule consists of 19 carbon atoms, 6 oxygen atoms, and 4 nitrogen atoms.",NC(=[NH+]O)c1ccc(C(CCC(=NO)c2ccc(OCC(=O)[O-])cc2)=NO)cc1
BondNum,"The molecule contains 13 single bonds, 1 double bond, 1 triple bond, 2 rotatable bonds, and 17 aromatic bonds.",Cc1ccccc1C#CC(=O)N1CCN(c2nc(-c3ccc(F)cc3)ns2)CC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ketone group, and 1 ester group.",CCOC(=O)C1(CCC(=O)c2ccccc2)CCC2[NH+]1C2(C)C
AddComponent,Add a benzene ring to the molecule CCOc1ccc(C2C(C(=O)OC(C)C)=C(C)Nc3nc(SCc4ccccc4Cl)nn32)cc1OCC.,CCOc1ccc(C2C(C(=O)OC(C)C)=C(C)Nc3nc(SC(c4ccccc4)c4ccccc4Cl)nn32)cc1OCC
SubComponent,Modify the molecule CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1cc(F)cc(Br)c1 by substituting a halo with a thiol.,CC(C)(C)OC(=O)Nc1ccc(S)cc1NC(=O)c1cc(F)cc(Br)c1
DelComponent,Modify the molecule halo by removing a COc1ccc(-c2nc(-c3cccc(C(=O)[O-])n3)cs2)c2c3cc(F)ccc3n(C)c12.,COc1ccc(-c2nc(-c3cccc(C(=O)[O-])n3)cs2)c2c3ccccc3n(C)c12
LogP,Optimize the molecule Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(C(=O)NC4CCCCC4C)c3)CC2)cccc1C(=O)Nc1cccc(F)c1 to have a lower LogP value.,Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(C(=O)NC4CCCCC4C)c3)CC2)cccc1C(=O)Nc1cccc(O)c1
MR,Modify the molecule Cc1cc(S(N)(=O)=O)cc(C(=O)NC(C)(C)C)c1F to have a higher MR value.,Cc1cc(S(N)(=O)=O)cc(C(=O)NC(C)(C)C)c1C(=O)[OH]
QED,Please modify the molecule NC(=[NH+]O)c1cc(OC2CCC2)ccn1 to increase its QED value.,O[NH+]=Cc1cc(OC2CCC2)ccn1
AtomNum,"The molecule is composed of 18 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 fluorine atoms.",CCNc1cc(=O)n(CC(=O)NC2(C(C)=N)CC2)c(CCC(C)C(F)F)n1
BondNum,"There is a molecule with 26 single bonds, 5 double bonds, 11 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C(N)=O)ccc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2cc(C(=O)NCC(C)C)ccc2Cl)CC1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 hydroxyl group, 1 ketone group, 1 amine group, 1 halo group, and 1 sulfide group.",Cc1ccc(C(O)=C2C(=[NH2+])N(c3ccc(Cl)cc3)C3=C(C(=O)CC(C)(C)C3)C2c2cccs2)cc1
AddComponent,Please add a hydroxyl to the molecule CC(c1nc2ccccc2s1)N(C)CCS(C)(=O)=O.,CN(CCS(C)(=O)=O)C(CO)c1nc2ccccc2s1
SubComponent,Please substitute a CCC(Cl)c1cccc(C#N)c1 in the molecule nitrile with a hydroxyl.,CCC(Cl)c1cccc(O)c1
DelComponent,Remove a halo from the molecule CC(C)SCC(O)c1cc(F)ccc1F.,CC(C)SCC(O)c1cccc(F)c1
LogP,Optimize the molecule CCC(C)[NH+](CCOC)C1CCCc2ccccc2C1O to have a higher LogP value.,CCC(C)[NH+](CCOC)C1CCCc2ccccc2C1C(=O)[OH]
MR,Please optimize the molecule CCCC1CCC(c2ccc(-c3cc(F)c(C4=CC=C(OC(F)(F)F)C(F)C4)c(F)c3)cc2)CC1 to have a higher MR value.,NCCCC1CCC(c2ccc(-c3cc(F)c(C4=CC=C(OC(F)(F)F)C(F)C4)c(F)c3)cc2)CC1
QED,Modify the molecule CC([NH2+]CC(O)CC(C)(C)C)C(=O)N1CCCCC1 to decrease its QED value.,CC([NH2+]CC(Cl)CC(C)(C)C)C(=O)N1CCCCC1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 1 oxygen atom, and 1 sulfur atom.",Cc1ccc(SCC2(c3ccccc3)CC3=CC(=O)CC3C2)cc1
BondNum,"The molecule contains 16 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(CNC(=O)C1CNNC1c1ccc(F)cc1)Nc1ccc(F)c(F)c1F
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",Cc1ccc(C2(C(=O)N(C)C)CC2)cc1
AddComponent,Modify the molecule Cc1cc(C)c2[nH+]ccc(N3CCC(O)(C(=O)[O-])CC3)c2c1 by adding a hydroxyl.,Cc1cc(C)c2[nH+]c(O)cc(N3CCC(O)(C(=O)[O-])CC3)c2c1
SubComponent,Substitute a halo in the molecule O=C(NCCc1ccccc1F)C1CC[NH+](Cc2ccc(Br)s2)CC1 with a thiol.,O=C(NCCc1ccccc1S)C1CC[NH+](Cc2ccc(Br)s2)CC1
DelComponent,Remove a benzene ring from the molecule COCCOc1ccc(CC(=O)N2CC(C)C(C(N)=O)C2)cc1.,COCCOCC(=O)N1CC(C)C(C(N)=O)C1
LogP,Please modify the molecule CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cc(Cl)sc4Cl)o3)cc2)CC(C)O1 to decrease its LogP value.,CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cc(C#N)sc4Cl)o3)cc2)CC(C)O1
MR,Optimize the molecule CC(C)(COC(=O)SCl)COC(=O)SCl to have a higher MR value.,CC(=O)SC(=O)OCC(C)(C)COC(=O)SCl
QED,Modify the molecule CNC(=O)ON=C1SC(C)N(C)C1=O to increase its QED value.,CNC(=O)ON1CC(C)S1
AtomNum,"The molecule consists of 17 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCN(CC(=O)N1CCCCCC1)C1(C[NH3+])CCCCC1
BondNum,"The molecule has 34 single bonds, 5 double bonds, 12 rotatable bonds, and 18 aromatic bonds.",COc1ccc(C(=O)Nc2cc(NC(=O)C(NC(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(Cl)c(C(=O)N5CCCC5)c4)CC3)C(C)C)ccc2F)cc1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 hydroxyl group, 1 amine group, 3 halo groups, and 1 sulfone group.",O=S(=O)(CCc1ccccc1)NCC(O)c1ccc(C(F)(F)F)cc1
AddComponent,Please add a hydroxyl to the molecule COCC(=O)N=Nc1c(O)[nH]c2ccc(C(C)C)cc12.,COCC(=O)N=Nc1c(O)[nH]c2ccc(C(C)(C)O)cc12
SubComponent,Modify the molecule halo by substituting a Cc1cc(OCc2cc(N)cc(Br)c2)ccc1Br with a thiol.,Cc1cc(OCc2cc(N)cc(S)c2)ccc1Br
DelComponent,Please remove a NS(=O)(=O)Oc1ccc2oc(C3CCCC3)cc(=O)c2c1 from the molecule amine.,O=c1cc(C2CCCC2)oc2ccc(O[SH](=O)=O)cc12
LogP,Modify the molecule COc1cc(C(C)=O)ccc1-c1ccc(F)cc1 to have a lower LogP value.,COc1cc(C(C)=O)ccc1-c1ccc(C(=O)[OH])cc1
MR,Please modify the molecule CCC(C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)c(C)c1 to decrease its MR value.,CCC(C(=O)NCC(C)C)N(Cc1c(O)cccc1Cl)C(=O)COc1ccc(Cl)c(C)c1
QED,Modify the molecule CC(C(=O)OC(C)(C)C)C(Cc1ccc(-c2ccccc2)cc1)C(=O)[N-]C(=O)OC(C)(C)C to have a higher QED value.,CC(C(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)[N-]C(=O)OC(C)(C)C
AtomNum,"The molecule consists of 16 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",Cc1cc(CC2CCCC[NH2+]2)cc2c1OCCCO2
BondNum,"Please generate a molecule with 15 single bonds, 7 rotatable bonds, and 6 aromatic bonds.",CSCCC(C)[NH2+]CC(O)c1ccc2c(c1)OCCO2
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 ester group, 1 amide group, and 2 halo groups.",CC(OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1cccc(Cl)c1Cl
AddComponent,Add a benzene ring to the molecule O=C(c1cnc(-c2cccc[n+]2[O-])nn1)N1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1.,O=C(c1cnc(-c2c(-c3ccccc3)ccc[n+]2[O-])nn1)N1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1
SubComponent,Please substitute a Cc1ccc(NC(=O)C[NH2+]CC2CC2)cc1Cl in the molecule halo with a aldehyde.,CC(=O)c1cc(NC(=O)C[NH2+]CC2CC2)ccc1C
DelComponent,Remove a halo from the molecule Cc1cc(CNC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)n(C)n1.,Cc1cc(CNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)n(C)n1
LogP,Optimize the molecule CC(=O)OCC(C)Nc1ncc(C(F)(F)F)cc1N to have a lower LogP value.,CC(=O)OCC(C)Nc1ncc(C(F)(F)C(=O)[OH])cc1N
MR,Please modify the molecule SCCCCSc1ncc[nH]1 to decrease its MR value.,CCCCSc1ncc[nH]1
QED,Please modify the molecule CCc1nc(CC)n(CC(C)(C)C(=O)[O-])n1 to increase its QED value.,CCc1nc(CC)n(CC(C)(Cc2ccccc2)C(=O)[O-])n1
AtomNum,"The molecule contains 10 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",Nc1ccc2sc(C(=O)[O-])cc2c1CBr
BondNum,"Please generate a molecule consisting 28 single bonds, 5 double bonds, 12 rotatable bonds, and 18 aromatic bonds.",Cc1ccccc1NC(=O)c1cc(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(Cl)cc3C(=O)NCC(C)C)CC2)ccc1Cl
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 ester group, 1 amine group, 1 halo group, and 1 sulfide group.",COC(=O)c1sc2ncnc(Nc3ccc(C)c(Br)c3)c2c1C
AddComponent,Add a aldehyde to the molecule CC(CO)CNc1ccccc1SC(F)F.,CC(CO)CNc1cccc(CC=O)c1SC(F)F
SubComponent,Substitute a Cc1ccc(Nc2nn(C3CCOCC3F)c(C=CNC=O)c2C)cc1C in the molecule halo with a aldehyde.,CC(=O)C1COCCC1n1nc(Nc2ccc(C)c(C)c2)c(C)c1C=CNC=O
DelComponent,Please remove a halo from the molecule CC1C([Si](C)(C)F)C(CCO)OC12C(=O)N(C)c1ccc(N3C(=O)c4cccc5cccc3c45)cc12.,CC1C([Si](C)C)C(CCO)OC12C(=O)N(C)c1ccc(N3C(=O)c4cccc5cccc3c45)cc12
LogP,Modify the molecule CC1(C)CCC(C)(C)c2cc(C(Cl)C3CCOC3)ccc21 to decrease its LogP value.,CC1(C)CCC(C)(C)c2cc(C(C(=O)[OH])C3CCOC3)ccc21
MR,Please optimize the molecule CC1NC(=O)C(C)(C)N(Cc2ccc(F)cc2Br)C1=O to have a higher MR value.,CC1NC(=O)C(C)(C)N(Cc2cc(-c3ccccc3)c(F)cc2Br)C1=O
QED,Please modify the molecule Cn1cccc1CNS(=O)(=O)CCCCl to decrease its QED value.,Cn1cccc1CNS(=O)(=O)CCCC#N
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC1(C(=O)N(Cc2ccccc2)C2CC2)COCC1[NH3+]
BondNum,"Please generate a molecule consisting 18 single bonds, 3 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",COCCN(CC(=O)N1CC[NH+](CC=Cc2ccccc2)CC1)C(C)=O
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 halo groups.",C=CCN(CC)c1c(F)cc(C=CC(=O)[O-])cc1F
AddComponent,Please add a benzene ring to the molecule Cn1[nH]c(=O)c2nc3ccccc3nc21.,Cn1[nH]c(=O)c2nc3ccc(-c4ccccc4)cc3nc21
SubComponent,Modify the molecule halo by substituting a COc1ccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)cc1F with a hydroxyl.,COc1ccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)cc1O
DelComponent,Please remove a halo from the molecule CC1(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CC[NH2+]CC1.,CC1(CNC(=O)C(C)(C)Cc2ccccc2)CC[NH2+]CC1
LogP,Optimize the molecule O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)N1CCC(C2CCCC2)C1 to have a higher LogP value.,O=C(Nc1cc(-c2ccccc2)c(F)c(N2C(=O)CCC2=O)c1)N1CCC(C2CCCC2)C1
MR,Please optimize the molecule CCN(CC(=O)Nc1ccccc1-c1ccccc1)c1cccc(F)c1 to have a lower MR value.,CCN(c1cccc(F)c1)c1ccccc1-c1ccccc1
QED,Please optimize the molecule CCCCCC(CN(O)C=O)C(=O)N1CCCC1c1nn[n-]n1 to have a lower QED value.,CCCCCC(C(=O)N1CCCC1c1nn[n-]n1)C(c1ccccc1)N(O)C=O
AtomNum,"There is a molecule composed of 21 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COc1ccc(C(=O)OC(C)C(=O)NC2CCCc3ccccc32)cc1
BondNum,"The molecule consists of 14 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",[NH3+]CCC[NH+]1CCN(CCCc2ccccc2)C(=O)C1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 1 amine group.",CN(C)c1nc2c(c(Nc3ccccc3)n1)C1CCC(C2)N1C(=O)Cn1cccn1
AddComponent,Add a hydroxyl to the molecule Cc1nc2ccccc2nc1NC(C[NH3+])C1CCCC1.,Cc1nc2ccccc2nc1NC(C[NH3+])C1CCC(O)C1
SubComponent,Modify the molecule halo by substituting a CC1(Oc2cc(NS(=O)(=O)c3sc(Cl)cc3-c3ccc(C(F)(F)F)cc3)ccc2C(F)(F)F)CC[NH2+]C1 with a hydroxyl.,CC1(Oc2cc(NS(=O)(=O)c3sc(O)cc3-c3ccc(C(F)(F)F)cc3)ccc2C(F)(F)F)CC[NH2+]C1
DelComponent,Modify the molecule benzene ring by removing a C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)c3ccc([N+](=O)[O-])cc3)nc21.,C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)[N+](=O)[O-])nc21
LogP,Modify the molecule Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)CC1 to have a lower LogP value.,Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)CC1
MR,Modify the molecule CCC(O)C[NH+](C)CCC[NH+](CC(O)CC)CC(O)CC to increase its MR value.,CCC(O)C[NH+](CCC[NH+](C)CC(O)CCc1ccccc1)CC(O)CC
QED,Optimize the molecule COc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc(I)c(OC)c(I)c4)c(=O)n32)cc1 to have a higher QED value.,COc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc(O)c(OC)c(I)c4)c(=O)n32)cc1
AtomNum,"There is a molecule with 10 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CC1(C(=O)NC(CC(N)=O)C(=O)[O-])CC[NH2+]C1
BondNum,"The molecule is composed of 21 single bonds, 4 double bonds, 12 rotatable bonds, and 22 aromatic bonds.",CCOC(=O)CN(c1ccc2c(c1)nc(Cc1ccc(C(N)=[NH2+])cc1)n2CC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",Cc1oc(-c2cccc(F)c2)cc1C(CC(C)C)Nc1ccc(C(=O)N(C)CCC(=O)[O-])cc1
AddComponent,Please add a benzene ring to the molecule O=C(Nc1ccccc1OC(F)F)c1nc(Cl)ccc1Cl.,O=C(Nc1c(OC(F)F)cccc1-c1ccccc1)c1nc(Cl)ccc1Cl
SubComponent,Substitute a halo in the molecule O=C(CCCc1ccc(F)c(F)c1)NC1COc2ccccc2C1=O with a nitro.,ONc1ccc(CCCC(=O)NC2COc3ccccc3C2=O)cc1F
DelComponent,Remove a Cc1cc(Cl)nc(-c2ccc(C(C)(C)C)s2)n1 from the molecule halo.,Cc1ccnc(-c2ccc(C(C)(C)C)s2)n1
LogP,Please modify the molecule Cn1ccnc1C1OCCC1C(=O)NCC1CCC(C#N)CC1 to decrease its LogP value.,Cn1ccnc1C1OCCC1C(=O)NCC1CCC(NO)CC1
MR,Modify the molecule Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6cccc(Cl)c6)CC5)n3n2)CCC4)cc1 to increase its MR value.,Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6cccc(Cl)c6N)CC5)n3n2)CCC4)cc1
QED,Modify the molecule N#CCCC(O)c1nc2ccc(-c3c[nH+]c4ccc(-c5cn(C(c6ccccc6)(c6ccccc6)c6ccccc6)nc5-c5ccc(F)cc5)cn34)cc2s1 to have a higher QED value.,N#CCCC(O)c1nc2ccc(-c3c[nH+]c4ccc(-c5cn(C(c6ccccc6)(c6ccccc6)c6ccccc6)nc5-c5ccccc5)cn34)cc2s1
AtomNum,"The molecule is composed of 32 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(c3ccccc3)N=C2C)cc1
BondNum,"Please generate a molecule with 31 single bonds, 3 double bonds, and 11 rotatable bonds.",COC(=O)CCCCCCCCC(C(=O)OC)C1CCCCCCCCCC(=O)OCCC1C
FunctionalGroup,"The molecule has 1 benzene ring group, 2 amine groups, and 1 nitro group.",CCCCC(CC)CNc1cccc(NCC)c1[N+](=O)[O-]
AddComponent,Add a benzene ring to the molecule CCC(=O)N1CCC(Oc2ccc(-c3ccc(-c4ccccc4)nc3)cc2)CC1.,CCC(=O)N1CCC(Oc2ccc(-c3ccc(-c4ccccc4)nc3)cc2-c2ccccc2)CC1
SubComponent,Modify the molecule halo by substituting a CC1=C(C(=O)OCC(C)C)C(c2cccs2)n2c(sc(=Cc3cccc(Cl)c3)c2=O)=N1 with a hydroxyl.,CC1=C(C(=O)OCC(C)C)C(c2cccs2)n2c(sc(=Cc3cccc(O)c3)c2=O)=N1
DelComponent,Modify the molecule O=C(NCc1ccc(F)cc1)C1CCc2[nH]c3ccccc3c2C1 by removing a amide.,Fc1ccc(CC2Cc3[nH]c4ccccc4c3C2)cc1
LogP,Please optimize the molecule O=C([O-])C1CCCC(C(=O)NCCCCOc2ccc(Cl)cc2)C1 to have a lower LogP value.,O=C([O-])C1CCCC(C(=O)NCCCCOc2ccc(O)cc2)C1
MR,Optimize the molecule Nc1c(Cl)nnc2nc3c4ccccc4c4ccccc4c3nc12 to have a higher MR value.,CC(=O)c1nnc2nc3c4ccccc4c4ccccc4c3nc2c1N
QED,Please modify the molecule OC1(c2ccccc2F)CCc2ccccc21 to decrease its QED value.,Oc1ccccc1C1(O)CCc2ccccc21
AtomNum,"There is a molecule with 7 carbon atoms, 3 oxygen atoms, and 1 chlorine atom.",COC1CCC(Cl)C(OC)O1
BondNum,"Please generate a molecule composed of 12 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",C[NH2+]CCC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1
FunctionalGroup,There is a molecule consisting of and 1 sulfide group.,C=CC(C)(C[NH2+]C)Cc1nc(C(C)(C)C)cs1
AddComponent,Please add a aldehyde to the molecule CCC(C(=O)NCc1ccc(C([NH3+])C2CCCc3ccc(Cc4cc(-c5ccccc5)ccn4)nc32)c(CO)c1)c1ccccc1.,CCC(C(=O)NCc1cc(CO)c(C([NH3+])C2CCCc3ccc(Cc4cc(-c5ccccc5)ccn4)nc32)cc1CC=O)c1ccccc1
SubComponent,Modify the molecule CCc1nc2sc(C(c3cccs3)[NH+]3CCN(C(=O)c4ccco4)CC3)c(O)n2n1 by substituting a hydroxyl with a carboxyl.,CCc1nc2sc(C(c3cccs3)[NH+]3CCN(C(=O)c4ccco4)CC3)c(C(=O)[OH])n2n1
DelComponent,Remove a benzene ring from the molecule CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(N(c6ccccc6)c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc5)nc34)cc21.,CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(N(c6ccccc6)c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccc(-c7nnco7)cc6)cc5)nc34)cc21
LogP,Modify the molecule OCCc1ccncc1NCc1ccc2nc(NCCC[NH+]3CCOCC3)n(Cc3ncccc3O)c2c1 to have a higher LogP value.,Oc1cccnc1Cn1c(NCCC[NH+]2CCOCC2)nc2ccc(CNc3cnccc3CCS)cc21
MR,Please optimize the molecule CC(=O)OC1CCC2C3C(CCCCCCCCCCC(=O)[O-])Cc4cc(OC(=O)c5ccccc5)ccc4C3CCC12C to have a lower MR value.,CC(=O)OC1CCC2C3C(CCCCCCCCCCC(=O)[O-])Cc4cc(OC=O)ccc4C3CCC12C
QED,Optimize the molecule O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2o1 to have a higher QED value.,O=c1[nH]c2cc(Cl)c(S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2o1
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 nitrogen atoms, and 1 fluorine atom.",Cc1cc(C(NN)c2ccnc3ccccc23)ccc1F
BondNum,"Please generate a molecule consisting 16 single bonds, 7 rotatable bonds, and 16 aromatic bonds.",CC(Nc1c(-c2c(F)cc(OCCCO)cc2F)c(Cl)nc2ncnn12)C(F)(F)F
FunctionalGroup,There is a molecule with and 1 amide group.,C[NH2+]C(COC1CC(C)CCC1C(C)C)C(N)=O
AddComponent,Add a carboxyl to the molecule CCC(C)N(C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)C1CCS(=O)(=O)C1.,CCC(C)N(C(=O)COC(=O)c1cc(-c2ccco2)nc2cccc(C(=O)O)c12)C1CCS(=O)(=O)C1
SubComponent,Please substitute a halo in the molecule Cc1ccccc1C1C(=C([O-])c2ccc3c(c2)CCCO3)C(=O)C(=O)N1c1ccc(F)cc1 with a thiol.,Cc1ccccc1C1C(=C([O-])c2ccc3c(c2)CCCO3)C(=O)C(=O)N1c1ccc(S)cc1
DelComponent,Modify the molecule amine by removing a COCCN(c1cccc(O)c1)c1nc(C(C)Nc2ncnc(N)c2C#N)nn2ccc(C)c12.,COCCN(c1cccc(O)c1)c1nc(C(C)c2ncnc(N)c2C#N)nn2ccc(C)c12
LogP,Please optimize the molecule Cc1ccc(NC(=O)C[NH+](CCO)CCO)c(C(=O)c2ccccc2)c1 to have a higher LogP value.,Cc1ccc(NC(=O)C[NH+](CCO)CCI)c(C(=O)c2ccccc2)c1
MR,Please modify the molecule Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCCCO2 to decrease its MR value.,Cc1nc2ccccc2c(C)c1C(=O)Oc1ccc2c(c1)OCCCO2
QED,Modify the molecule CCCCC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O)C(O)OC(C)C([NH3+])C(N)=O to have a higher QED value.,CCCCC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O)C(C#N)OC(C)C([NH3+])C(N)=O
AtomNum,"The molecule has 22 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",COc1ccc(-n2c(=O)c(CCC(=O)OCc3nc(C)no3)nc3ccccc32)cc1
BondNum,"The molecule is composed of 10 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)c1c(Br)ncc(OC)c1C(F)F
FunctionalGroup,"The molecule has 1 benzene ring group, 1 amide group, and 1 nitrile group.",CC(C)COc1cccc(C(=O)NC2(C#N)CCCC2)c1
AddComponent,Modify the molecule CCc1ccccc1N(CC(=O)N(Cc1ccccc1)C(CC)C(=O)NC1CCCCC1)S(C)(=O)=O by adding a benzene ring.,CCc1ccccc1N(CC(=O)N(Cc1ccccc1)C(CC)C(=O)NC1CCC(c2ccccc2)CC1)S(C)(=O)=O
SubComponent,Modify the molecule O=S1(=O)CCC([NH2+]CC2CCCC(O)C2)c2ccccc21 by substituting a hydroxyl with a thiol.,O=S1(=O)CCC([NH2+]CC2CCCC(S)C2)c2ccccc21
DelComponent,Modify the molecule amine by removing a COc1ccc(C(Cc2ccc(C)cc2)c2csc(N)n2)cc1.,COc1ccc(C(Cc2ccc(C)cc2)c2cscn2)cc1
LogP,Please optimize the molecule Cc1nc(-c2cccs2)sc1C(=O)NCCNc1cnccn1 to have a higher LogP value.,Cc1nc(-c2cccs2)sc1C(=O)NCCc1cnccn1
MR,Modify the molecule CCC(C)[NH2+]CC1(O)CCN(C(=O)OC(C)(C)C)CC1 to have a lower MR value.,CCC(C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1
QED,Modify the molecule Cc1c(COc2cc(OCc3cncc(C#N)c3)c(C[NH+]3CCCCC3)cc2Cl)cccc1-c1ccc2oc(C3(C)CC[NH2+]CC3)nc2c1 to have a lower QED value.,Cc1c(COc2cc(OCc3cncc(C#N)c3)c(C[NH+]3CCCCC3)cc2C(=O)[OH])cccc1-c1ccc2oc(C3(C)CC[NH2+]CC3)nc2c1
AtomNum,"The molecule has 10 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 fluorine atoms.",CCN=C(N[NH3+])c1ccc(OC(F)F)cc1
BondNum,"Please generate a molecule composed of 48 single bonds, and 40 rotatable bonds.",CCC(CO)(CCCCCS)COCCCSCCCOCC(CC)(CO)COCCCSCCCOCC(CC)(CO)COCCCS
FunctionalGroup,Please generate a molecule with and 1 amine group.,CCCCCCCCCCCCCCCCC(CNCC[NH3+])[NH2+]CC(=O)[O-]
AddComponent,Add a benzene ring to the molecule COCC(CCBr)NC(=O)c1cncn1C.,COCC(CCBr)(NC(=O)c1cncn1C)c1ccccc1
SubComponent,Substitute a COC(=O)c1ccnc2ccc(Br)cc12 in the molecule halo with a nitrile.,COC(=O)c1ccnc2ccc(C#N)cc12
DelComponent,Please remove a Cc1nc(C=CC(=O)NCCc2ccc(OCc3ccccc3)cc2)cs1 from the molecule amide.,Cc1nc(CCCc2ccc(OCc3ccccc3)cc2)cs1
LogP,Modify the molecule Cc1occc1CN(C)C(c1ccc(F)cc1)C(C)[NH3+] to decrease its LogP value.,Cc1occc1CN(C)C(F)C(C)[NH3+]
MR,Please optimize the molecule COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C(C)=O)cc3)C2c2ccc(F)cc2)cc1 to have a higher MR value.,COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C(C)=O)c(N)c3)C2c2ccc(F)cc2)cc1
QED,Modify the molecule Cc1cc(C)c(C2([NH3+])CC2)c(O)c1Cl to have a higher QED value.,Cc1cc(C)c(C2([NH3+])CC2)c(Cl)c1Cl
AtomNum,"Please generate a molecule consisting 10 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CC[NH+](CCC(=O)[O-])C(C(=O)[O-])C(C)C
BondNum,"There is a molecule with 10 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",COCCOc1ccc(C(Br)c2ccc(Cl)cc2)cc1Br
FunctionalGroup,The molecule consists of and 1 sulfone group.,Cc1nc(C2CCCN2S(=O)(=O)N2CCCCC2C)no1
AddComponent,Please add a benzene ring to the molecule O=S(CN1C(=CC=C2C=C(C=Cc3sc4ccccc4[n+]3CS(=O)(=O)O)COC2)Sc2ccccc21)OO.,O=S(CN1C(=CC=C2C=C(C=Cc3sc4ccc(-c5ccccc5)cc4[n+]3CS(=O)(=O)O)COC2)Sc2ccccc21)OO
SubComponent,Modify the molecule thiol by substituting a CC1COCC[NH+](CC(C)(C)CS)C1 with a hydroxyl.,CC1COCC[NH+](CC(C)(C)CO)C1
DelComponent,Remove a amide from the molecule Cc1cccc(NC(=O)CCN(CC[NH+]2CCOCC2)S(C)(=O)=O)c1.,Cc1cccc(CN(CC[NH+]2CCOCC2)S(C)(=O)=O)c1
LogP,Modify the molecule CCCC(CC)NC(=O)CCCC[NH3+] to have a lower LogP value.,CCC(CC(C)O)NC(=O)CCCC[NH3+]
MR,Modify the molecule C[NH+]=C(NCC[NH+]1CCCC(C)C1)NC1CCN(C(=O)C(C)C)C1 to decrease its MR value.,C[NH+]=C(NCC[NH+]1CCCC(C)C1)C1CCN(C(=O)C(C)C)C1
QED,Please modify the molecule Cc1ccc(C(=O)Nc2ccc(Nc3nc(C4CC(O)C(O)C4)nc(N4CC([NH3+])CC([NH3+])C4)n3)cc2O)cc1 to decrease its QED value.,Cc1ccc(C(=O)Nc2ccc(Nc3nc(C4CC(O)C(C(=O)[OH])C4)nc(N4CC([NH3+])CC([NH3+])C4)n3)cc2O)cc1
AtomNum,"The molecule consists of 33 carbon atoms, 10 oxygen atoms, and 3 nitrogen atoms.",COC(=O)C(C)[NH2+]Cc1ccc(OC)c(-c2ccc([O-])c3c2CC2CC4C([NH+](C)C)C(=O)C(C(N)=O)C(=O)C4(O)C(=O)C2C3=O)c1
BondNum,"The molecule is composed of 26 single bonds, 4 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)C1=C(C[NH+]2CCN(C(=O)C(C)C)CC2)N(CC)C(=O)NC1c1ccc(Cl)c(Cl)c1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 amine group, and 3 halo groups.",NC(=O)c1ccc(F)cc1Nc1nc(Cl)ncc1Cl
AddComponent,Please add a carboxyl to the molecule Cc1ccc(Oc2ccccc2NC(=O)c2ccccc2C)cc1.,Cc1ccc(Oc2cc(C(=O)O)ccc2NC(=O)c2ccccc2C)cc1
SubComponent,Substitute a halo in the molecule Nc1nc(Cl)cc(N(Cc2ccco2)C2CC2)n1 with a thiol.,Nc1nc(S)cc(N(Cc2ccco2)C2CC2)n1
DelComponent,Modify the molecule halo by removing a NS(=O)(=O)CCOCCOc1ccc(C(F)(F)F)cc1.,NS(=O)(=O)CCOCCOc1ccc(C(F)F)cc1
LogP,Optimize the molecule ClCc1nncn1CC[NH+]1CCOCC1 to have a lower LogP value.,NC(C[NH+]1CCOCC1)n1cnnc1CCl
MR,Please modify the molecule CC(C)C(C(=O)[O-])N(C(=O)[O-])C(=O)OCc1ccccc1 to decrease its MR value.,COC(=O)N(C(=O)[O-])C(C(=O)[O-])C(C)C
QED,Please modify the molecule CC[NH+]1CC(c2ccccc2)OC(=O)C1C(C(N)=O)c1ccc(C(C)C)cc1 to increase its QED value.,CC[NH+]1CC(c2ccccc2)OC(=O)C1c1ccc(C(C)C)cc1
AtomNum,"The molecule consists of 28 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 3 fluorine atoms.",CC1(C)C=C(c2cccc(C(F)(F)F)c2)c2ccc(CC[NH2+]CCc3ccccc3)cc2O1
BondNum,"Please generate a molecule composed of 10 single bonds, 2 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccc(F)cc1Cl
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amide group, and 1 sulfide group.",CC[NH+](CC)Cc1cccc(NC(=O)c2cc3c(s2)CCCC3)c1
AddComponent,Please add a carboxyl to the molecule COc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(OC)cc2)cc1.,COc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(OC)c(C(=O)O)c2)cc1
SubComponent,Substitute a halo in the molecule CC(=O)Nc1ccc(Oc2ccc(C(=O)[O-])c(NS(=O)(=O)c3ccc(Br)s3)c2)cc1 with a carboxyl.,CC(=O)Nc1ccc(Oc2ccc(C(=O)[O-])c(NS(=O)(=O)c3ccc(C(=O)[OH])s3)c2)cc1
DelComponent,Please remove a benzene ring from the molecule O=C1NCC(c2cccs2)C12CC[NH+](C1(c3ccccc3)CCCCC1)CC2.,O=C1NCC(c2cccs2)C12CC[NH+](C1CCCCC1)CC2
LogP,Modify the molecule Cn1c(=O)n(Cc2ccc3nsnc3c2)c(=O)c2c1nc(N1CCCC([NH3+])C1)n2Cc1ccccc1C(F)(F)F to decrease its LogP value.,Cn1c(=O)n(Cc2ccc3nsnc3c2)c(=O)c2c1nc(N1CCCC([NH3+])C1)n2Cc1ccccc1C(F)(F)C(=O)[OH]
MR,Modify the molecule CC(CC(F)(F)F)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] to have a higher MR value.,CC(CC(F)(F)F)NC(=O)c1cccc(Cl)c1[SH]=O
QED,Optimize the molecule CCC1(C(=O)[O-])CCN(c2ccc(C(F)(F)F)cc2)C1 to have a higher QED value.,CCC1(C(=O)[O-])CCN(c2ccc(C(O)(F)F)cc2)C1
AtomNum,"The molecule contains 27 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CC(C)(C)c1csc(N(Cc2ccc(C(=O)NCC3CC3)cc2)Cc2cccc(OC(F)(F)F)c2)n1
BondNum,"Please generate a molecule consisting 7 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(F)cc1COc1ccc(C(N)=S)cc1
FunctionalGroup,The molecule contains and 1 halo group.,CCCC(C)Oc1ccc2cc(Br)ccc2c1
AddComponent,Modify the molecule c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCCO5)cc23)c1 by adding a hydroxyl.,Oc1cc2c(cc1-c1ccc3ncnc(NCc4cccs4)c3c1)OCCO2
SubComponent,Please substitute a halo in the molecule O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)c(=S)[nH]c2c1 with a aldehyde.,CC(=O)C(F)(F)c1cccc(-n2c(=S)[nH]c3cc(C(=O)Nc4ccc5c(c4)CCC5)ccc3c2=O)c1
DelComponent,Please remove a CC(=O)N(CC(=O)Nc1cc(C)cc(C)c1)c1ccc(N2CCCC2)cc1 from the molecule amide.,Cc1cc(C)cc(NC(=O)Cc2ccc(N3CCCC3)cc2)c1
LogP,Please modify the molecule CC#CC(CC#N)c1ccc(OCc2ccc3scc(-c4ccc(OC)cc4C)c3n2)cc1 to increase its LogP value.,CC(=O)CC(C#CC)c1ccc(OCc2ccc3scc(-c4ccc(OC)cc4C)c3n2)cc1
MR,Modify the molecule CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1Cl to increase its MR value.,CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1S
QED,Please optimize the molecule Cc1nn(-c2ccccc2)c(CSc2nnc(COc3ccc(F)cc3)o2)c1C#N to have a lower QED value.,Cc1nn(-c2ccc(N)cc2)c(CSc2nnc(COc3ccc(F)cc3)o2)c1C#N
AtomNum,"The molecule is composed of 45 carbon atoms, 24 oxygen atoms, 11 nitrogen atoms, and 8 sulfur atoms.",O=C(NCCS(=O)(=O)[O-])Nc1cc(N=Nc2ccc3c(S(=O)(=O)[O-])c(N=Nc4c(-c5ccccc5)[nH]n(-c5cc(S(=O)(=O)[O-])c6cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c6c5)c4=O)ccc3c2O)c(S(=O)(=O)[O-])cc1N=Nc1nc2c(S(=O)(=O)[O-])cccc2s1
BondNum,"Please generate a molecule with 16 single bonds, 2 double bonds, and 6 rotatable bonds.",CC(CCl)CS(=O)(=O)N1CC(O)CC1C[NH+](C)C
FunctionalGroup,There is a molecule consisting of and 1 ketone group.,C=C1CC2C(CC1=O)CC(NC(=O)N(C)CCc1ccccn1)C[NH+]2CCC
AddComponent,Please add a hydroxyl to the molecule CCOC(=O)C([NH3+])CSCCC(=O)OC.,CCOC(=O)C([NH3+])C(O)SCCC(=O)OC
SubComponent,Substitute a CC1CCN(C(=O)c2ccc(Cl)c(NC(=O)C[NH+]3CCC(C(=O)NCC(=O)Nc4cccc(F)c4)CC3)c2)CC1 in the molecule halo with a carboxyl.,CC1CCN(C(=O)c2ccc(C(=O)[OH])c(NC(=O)C[NH+]3CCC(C(=O)NCC(=O)Nc4cccc(F)c4)CC3)c2)CC1
DelComponent,Remove a hydroxyl from the molecule CCN(CCON=C(C)CCOCO)c1ccc(N=Nc2ccc([N+](=O)[O-])c3ccccc23)cc1.,CCN(CCON=C(C)CCOC)c1ccc(N=Nc2ccc([N+](=O)[O-])c3ccccc23)cc1
LogP,Modify the molecule O=C([O-])CCCCC[NH2+]CC1OC(O)(CO)C(O)C1O to increase its LogP value.,O=C([O-])CCCCC[NH2+]CC1CC(O)C(O)(CO)O1
MR,Optimize the molecule C[NH+]=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC(=O)N2CCCC2)CC1 to have a lower MR value.,C[NH+]=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1
QED,Please modify the molecule CN(CCOc1ccc(Cl)cc1)C(=O)c1cc2ccccc2[nH]c1=O to decrease its QED value.,CN(CCOc1ccc(Cl)cc1)C(=O)c1cc2ccc(O)cc2[nH]c1=O
AtomNum,"There is a molecule with 22 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CC(C)Oc1ccc(NC(=O)c2ccc(NC3CCCCCC3)cn2)cc1
BondNum,"The molecule has 17 single bonds, 4 double bonds, 11 rotatable bonds, and 6 aromatic bonds.",CC(=O)SCCCCCC(=O)NCCOC(=O)Oc1ccc([N+](=O)[O-])cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 halo groups.",CCOc1cc(Br)cc(OC)c1Cl
AddComponent,Add a benzene ring to the molecule O=C1C2=NCCCC2C(=O)N1Cc1ccccc1.,O=C1C2=NCCCC2C(=O)N1Cc1ccccc1-c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CCOCCN(CCOCC)CC(CO)[NH2+]C with a halo.,CCOCCN(CCOCC)CC(CCl)[NH2+]C
DelComponent,Please remove a amide from the molecule CC(CCO)NC(=O)c1n[nH]c(C2CC2)c1N.,CC(CCO)n1[nH]c(C2CC2)c-1N
LogP,Please modify the molecule COCCCC=CCCCCCCCCCC(O)C(=O)[O-] to increase its LogP value.,COCCCC=CCCCCCCCCCCC(=O)[O-]
MR,Please optimize the molecule CCC(O)COC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OCC(O)CC)(C3(F)F)C2(F)F to have a higher MR value.,CCC(O)COC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OCC(S)CC)(C3(F)F)C2(F)F
QED,Modify the molecule CN1CC[NH2+]CC1c1noc(-c2ccc(F)c(C(F)(F)F)c2)n1 to increase its QED value.,CN1CC[NH2+]CC1c1noc(-c2ccc(F)c(C(F)F)c2)n1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",Cc1ccc(-c2cn3c([nH+]2)N(C(=O)c2cnccn2)CCC3)cc1
BondNum,"Please generate a molecule composed of 8 single bonds, 1 double bond, 4 rotatable bonds, and 20 aromatic bonds.",Cn1cc(-c2c[nH]c3ncc(CC(=O)Nc4cccc(F)c4)c-3c2)cn1
FunctionalGroup,Please generate a molecule consisting and 1 benzene ring group.,COCC1CCN(C(=O)Oc2ccccc2)C1
AddComponent,Add a benzene ring to the molecule COc1ccc(C(C)(C)CNC(=O)C2CC(O)C[NH2+]2)cc1OC.,COc1cc(C(C)(C)CNC(=O)C2CC(O)C[NH2+]2)cc(-c2ccccc2)c1OC
SubComponent,Modify the molecule halo by substituting a O=C(CC[NH2+]Cc1ncc(Br)cc1Br)N1CCOCC1 with a thiol.,O=C(CC[NH2+]Cc1ncc(S)cc1Br)N1CCOCC1
DelComponent,Remove a halo from the molecule CCC([NH3+])C(c1ccccc1F)N(C)CC1CC(O)C1.,CCC([NH3+])C(c1ccccc1)N(C)CC1CC(O)C1
LogP,Please optimize the molecule COC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccc(Br)cc1 to have a lower LogP value.,COC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccc(Br)c(C(=O)O)c1
MR,Please optimize the molecule CCc1oc(-c2cc(Cl)ccc2OC)cc1C(C)[NH3+] to have a higher MR value.,CCc1oc(-c2cc(NO)ccc2OC)cc1C(C)[NH3+]
QED,Optimize the molecule CCCC[NH+](CCCC)CCNC(=O)c1ccc(S(N)(=O)=O)cc1 to have a lower QED value.,CCCC[NH+](CCNC(=O)c1ccc(S(N)(=O)=O)cc1)CCC(C)c1ccccc1
AtomNum,"There is a molecule consisting of 25 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(-c3ncccc3OC)cn2)c1)C(=O)[O-]
BondNum,"There is a molecule consisting of 5 single bonds, 2 double bonds, 2 rotatable bonds, and 17 aromatic bonds.",O=C(Nc1ccc(Br)cc1)c1cc2cc(Br)ccc2oc1=O
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 halo groups.",CC1(C)CCCC([NH2+]Cc2ccc(Br)c(Cl)c2)C1
AddComponent,Modify the molecule CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)C(C)(C)C by adding a hydroxyl.,CN(C(=O)C(C)(C)C)C(O)c1nc(-c2cccc(Cl)c2)no1
SubComponent,Please substitute a CCOC(=O)CN(C=C(C#N)C1=CCCC1)c1cccc(OC)c1 in the molecule nitrile with a thiol.,CCOC(=O)CN(C=C(S)C1=CCCC1)c1cccc(OC)c1
DelComponent,Modify the molecule benzene ring by removing a Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2N)cc1.,Cc1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1N
LogP,Modify the molecule CC(C)(CCC[NH2+]CCc1ccco1)C(N)=[NH+]O to have a higher LogP value.,CC(C)(C(N)=[NH+]O)C(CC[NH2+]CCc1ccco1)c1ccccc1
MR,Modify the molecule CC1=C(C(=O)[O-])C(c2ccc(NC(=S)NCCCN3CC[NH+](C4CCCCC4)CC3)cc2)C(C(=O)[O-])=C(C)N1 to have a lower MR value.,CC1=C(C(=O)[O-])C(NC(=S)NCCCN2CC[NH+](C3CCCCC3)CC2)C(C(=O)[O-])=C(C)N1
QED,Please optimize the molecule C[NH+]1CCCC(NC(=O)c2cc(Cl)nc(C(C)(C)C)c2)C1 to have a lower QED value.,C[NH+]1CCCC(NC(=O)c2cc(Cl)nc(C(C)(C)Cc3ccccc3)c2)C1
AtomNum,"The molecule has 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",CN(Cc1cc(Br)cs1)C(=O)C1CCCCC1[NH3+]
BondNum,"Please generate a molecule consisting 14 single bonds, 1 double bond, and 10 rotatable bonds.",C=CC(C)(CCCCCCC)C[NH2+]C(C)C
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, 1 amine group, and 1 sulfide group.",COC(=O)c1cccc(CNc2nc3ccc(-c4ccncc4)cc3s2)c1
AddComponent,Modify the molecule Cc1cc(OCc2ccc(C=CC(=O)c3ccc4ccccc4c3)o2)cc(C)c1Cl by adding a hydroxyl.,Cc1cc(OCc2ccc(C=CC(=O)c3ccc4ccccc4c3)o2)cc(CO)c1Cl
SubComponent,Please substitute a halo in the molecule Cc1nn(-c2cccc(F)c2C[NH2+]C(C)(C)C)cc1Cl with a nitro.,Cc1nn(-c2cccc(NO)c2C[NH2+]C(C)(C)C)cc1Cl
DelComponent,Remove a halo from the molecule [NH3+]C(c1cc(F)cc(F)c1)C1CCS(=O)(=O)C1.,[NH3+]C(c1cccc(F)c1)C1CCS(=O)(=O)C1
LogP,Optimize the molecule O=C(NCC1CCS(=O)(=O)C1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1 to have a lower LogP value.,N#Cc1ccc(C(=O)N2CCCC(C(=O)NCC3CCS(=O)(=O)C3)C2)cc1
MR,Please optimize the molecule CCOc1ccc(OC(=O)C[NH+](C)CCC(=O)[O-])cc1 to have a lower MR value.,CCOOC(=O)C[NH+](C)CCC(=O)[O-]
QED,Modify the molecule CCCOc1ccc(C=C2C(=O)Nc3cc(Cl)ccc32)c(OCCC)c1 to decrease its QED value.,CCCOc1ccc(C=C2C(=O)Nc3cc(S)ccc32)c(OCCC)c1
AtomNum,"The molecule consists of 13 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 3 chlorine atoms.",O=C(NC([NH+]1CCCC1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1
BondNum,"There is a molecule consisting of 8 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CN(C)CCS(=O)Cc1ccccc1F
FunctionalGroup,"The molecule contains 2 halo groups, and 1 sulfide group.",[O-]c1c(Br)cc2ccsc2c1I
AddComponent,Please add a hydroxyl to the molecule CSc1nc(N)cc(N2CCCc3ccccc3C2)n1.,CSc1nc(N)cc(N2CCC(O)c3ccccc3C2)n1
SubComponent,Please substitute a halo in the molecule COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(I)cc2)c2cc(Cl)ccc2OC)cc1OC with a hydroxyl.,COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(O)cc2)c2cc(Cl)ccc2OC)cc1OC
DelComponent,Modify the molecule amine by removing a CCN(CC)c1ccc(Nc2ccnc(Nc3ccccc3OC)n2)cc1.,CCN(CC)c1ccc(-c2ccnc(Nc3ccccc3OC)n2)cc1
LogP,Modify the molecule CC(=NO)c1cc(F)ccc1OCc1ccc(Cl)cc1F to have a lower LogP value.,CC(=NNO)c1cc(F)ccc1OCc1ccc(Cl)cc1F
MR,Modify the molecule CC(C)COC(=O)N1CCCN(C(=O)Cc2cn(C)c3ccccc23)CC1 to increase its MR value.,CC(C)COC(=O)N1CCCN(C(=O)C(O)c2cn(C)c3ccccc23)CC1
QED,Optimize the molecule CC1CCC(=O)N(CC(=O)C2CCCCC2)CC1 to have a lower QED value.,CC1CCC1CC(=O)C1CCCCC1
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CCC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC)c1
BondNum,"Please generate a molecule composed of 5 single bonds, 2 rotatable bonds, and 16 aromatic bonds.",Nc1nc(Nc2cc(F)ccc2F)c2ccsc2n1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 thioether group, and 2 sulfide groups.",O=C([O-])c1csc(SCCN2C(=O)CCC2C=CC(O)Cc2cccc(-c3ccc4[nH]ccc4c3)c2)n1
AddComponent,Modify the molecule Nc1ncnc2c(C3OC(COCc4ccc(Cl)cc4Cl)C(OCc4ccc(Cl)cc4Cl)C3(C=O)OCc3ccc(Cl)cc3Cl)cnn12 by adding a aldehyde.,Nc1ncnc2c(C3OC(COCc4ccc(Cl)cc4Cl)C(OCc4ccc(Cl)cc4Cl)C3(C=O)OCc3ccc(Cl)cc3Cl)c(CC=O)nn12
SubComponent,Modify the molecule nitrile by substituting a CC(C)[NH+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(C#N)cc1 with a halo.,CC(C)[NH+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(I)cc1
DelComponent,Remove a CC#Cc1[nH]c(=O)ccc1C1OC(CO)C(O)C1OC from the molecule hydroxyl.,CC#Cc1[nH]c(=O)ccc1C1OC(CO)CC1OC
LogP,Modify the molecule [N-]=[N+]=CC(=O)c1ccc2c(c1)SCc1cc(Cl)ccc1C2=O to decrease its LogP value.,[N-]=[N+]=CC(=O)c1ccc2c(c1)SCc1cc(Cl)cc(O)c1C2=O
MR,Optimize the molecule O=C(Cl)c1snc(Cl)c1Cl to have a lower MR value.,O=C(Cl)c1sncc1Cl
QED,Optimize the molecule CC(=O)OOc1ccc(Br)nc1 to have a higher QED value.,CC(=O)OOc1cccnc1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",Cc1ccc(CN(C)C(=O)C(C)[NH3+])cc1
BondNum,"Please generate a molecule composed of 5 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",O=C([O-])c1cc(CCl)c2scc(O)c2c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 ketone groups, 1 amide group, and 1 halo group.",CC12CCC(C(=O)Nc3ccccc3Cl)(C(=O)C1=O)C2(C)C
AddComponent,Add a aldehyde to the molecule NC(=[NH2+])CCOc1ccccc1C(F)(F)F.,NC(=[NH2+])C(CC=O)COc1ccccc1C(F)(F)F
SubComponent,Substitute a COC(=O)COc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC in the molecule halo with a carboxyl.,COC(=O)COc1cc(C(=O)[OH])c(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC
DelComponent,Remove a COc1ccc(C)cc1-c1c(C)sc(N)c1C(=O)N(C)C from the molecule benzene ring.,COCc1c(C)sc(N)c1C(=O)N(C)C
LogP,Please modify the molecule O=C(NCCCOCC(O)CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F to increase its LogP value.,CC(=O)C(CO)COCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
MR,Modify the molecule CC1(C)c2c(C(F)(F)F)cccc2C12CCCCC2 to increase its MR value.,CC1(C)c2c(C(F)(F)F)cccc2C12CCC(C(=O)O)CC2
QED,Please modify the molecule CC(CC=Cc1cccc(C#N)c1)CC(=O)[O-] to decrease its QED value.,CC(CC=Cc1ccccc1)CC(=O)[O-]
AtomNum,"There is a molecule with 36 carbon atoms, and 10 oxygen atoms.",Cc1ccc(OCOc2ccc(OCOC3COC4C(C(=O)Oc5ccc(C(OO)c6ccc(C)cc6)cc5)COC34)cc2)cc1
BondNum,"Please generate a molecule consisting 17 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)(C(=O)N1CCCC(C(=O)NCC[NH3+])C1)c1ccc(F)cc1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 2 hydroxyl groups, 1 ketone group, 1 ester group, and 1 amide group.",COC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)C2c2ccc(O)cc2)cc1
AddComponent,Add a benzene ring to the molecule CCCC(C#N)N1CCN(c2nc(C(C)C)ns2)CC1.,CCC(c1ccccc1)C(C#N)N1CCN(c2nc(C(C)C)ns2)CC1
SubComponent,Please substitute a halo in the molecule Nc1cc(F)ccc1NC(=O)CCS(=O)C1CCOCC1 with a aldehyde.,CC(=O)c1ccc(NC(=O)CCS(=O)C2CCOCC2)c(N)c1
DelComponent,Please remove a CC(CCC(=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1 from the molecule benzene ring.,CC(CCC(=O)[O-])[NH2+]CN(C)C
LogP,Please modify the molecule CC([NH3+])C(=O)NC(C)C(=O)NCC1OCCC1SC1=C(C(=O)[O-])N2C(=O)C(C(C)O)C2C1C to decrease its LogP value.,CC([NH3+])C(=O)NC(C)C(=O)NCC1OCCC1SC1=C(C(=O)[O-])N2C(=O)C(C(C)O)C2C1CC(=O)O
MR,Optimize the molecule Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NOC(=O)C(F)(F)F)CCCCC3)cc2)c2ccccc2n1 to have a lower MR value.,Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NOC(=O)C(F)F)CCCCC3)cc2)c2ccccc2n1
QED,Optimize the molecule CC(C)CN(CCC(=O)[O-])C(=O)c1cccc(N2CCCS2(=O)=O)c1 to have a lower QED value.,CC(C)CN(CCC(=O)[O-])C(=O)N1CCCS1(=O)=O
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1sc(=O)n(CCC(=O)N2CC3OCC[NH+](C)C3C2)c1C
BondNum,"Please generate a molecule with 14 single bonds, 1 double bond, 8 rotatable bonds, and 17 aromatic bonds.",COc1cc(-c2noc(COC(=O)Cc3c(Cl)cccc3Cl)n2)ccc1OC(F)F
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 halo group.",O=C1NCCN1C(=O)c1ccnc(Br)c1
AddComponent,Modify the molecule CCCNc1ccc(OC)cc1[N+](=O)[O-] by adding a hydroxyl.,CCCNc1ccc(OCO)cc1[N+](=O)[O-]
SubComponent,Substitute a nitrile in the molecule CC[NH+]1CCCC1CN(C)C(=O)C1(C#N)CCCCCC1 with a thiol.,CC[NH+]1CCCC1CN(C)C(=O)C1(S)CCCCCC1
DelComponent,Modify the molecule benzene ring by removing a Cc1nc(-c2ccccc2)ccc1C(=O)N(C)CC1CCCCC1.,Cc1ncccc1C(=O)N(C)CC1CCCCC1
LogP,Modify the molecule CC([NH3+])Cc1c(Cl)cccc1OC1CC(C)(C)OC1(C)C to decrease its LogP value.,CC1(C)CC(Oc2cccc(Cl)c2CC([NH3+])CC(=O)O)C(C)(C)O1
MR,Please optimize the molecule CCOC(=O)CCC(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CCCNC(=O)OC(C)(C)C to have a lower MR value.,CCOC(=O)CC(CCCNC(=O)OC(C)(C)C)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
QED,Optimize the molecule CN1CCC(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1=O to have a lower QED value.,CN1CC(O)C(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1=O
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 7 nitrogen atoms, and 1 sulfur atom.",c1ccc2[nH]c(C[NH+]3CCN(c4cc(N5CCSCC5)ncn4)CC3)nc2c1
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, 5 rotatable bonds, and 10 aromatic bonds.",CC1C[NH+](CC(=O)NCc2cccs2)CCN1c1nccs1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 2 amide groups, and 1 halo group.",COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCC(C)C)C(=O)c4ccc(Cl)cc4)CC3)nn2)cc1
AddComponent,Please add a benzene ring to the molecule CCCCN(C)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.,CCCC(c1ccccc1)N(C)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
SubComponent,Substitute a halo in the molecule COc1ccc(-n2c3nc(=O)n(CCC[NH+]4CCCC4)c(=O)c-3nc3ccc(Cl)cc32)cc1 with a hydroxyl.,COc1ccc(-n2c3nc(=O)n(CCC[NH+]4CCCC4)c(=O)c-3nc3ccc(O)cc32)cc1
DelComponent,Modify the molecule nitrile by removing a N#CC1CCCC1NC(=O)c1cc(F)c(F)c([O-])c1F.,O=C(NC1CCCC1)c1cc(F)c(F)c([O-])c1F
LogP,Please optimize the molecule CCc1nnc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2cc(OC)ccc2OC)s1 to have a lower LogP value.,CCc1nnc(N2C(=O)c3oc4cc(C)c(C#N)cc4c(=O)c3C2c2cc(OC)ccc2OC)s1
MR,Please modify the molecule Cc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)NC4CCCC4)ccc3Cl)CC2)c1 to decrease its MR value.,Cc1ccccc1C(=O)N(F)NC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)NC3CCCC3)ccc2Cl)CC1
QED,Please modify the molecule O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(OC(F)F)c1 to increase its QED value.,O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(OCF)c1
AtomNum,"The molecule contains 17 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 bromine atom.",O=C(c1ccccc1)N1CCC(c2ccc(Br)cc2)C1
BondNum,"Please generate a molecule consisting 23 single bonds, 2 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",CC(C)(C)c1ccc(C(=O)NCCC(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ester group, and 1 amide group.",Cc1ccc(C(=O)N(C)c2ccc(OC(=O)CCc3c[nH]c4ccccc34)cc2)cc1
AddComponent,Please add a amine to the molecule CC(NC(=O)c1cc(Cl)cc2ncn(Cc3cccc(Cl)c3)c12)c1ccc(OCO)cc1.,CC(NC(=O)c1cc(Cl)cc2ncn(Cc3cc(Cl)ccc3N)c12)c1ccc(OCO)cc1
SubComponent,Modify the molecule halo by substituting a CC1CCN(c2ncc(C(=O)Nc3ccc(SC(F)F)cc3)cc2-c2cncnc2)C1 with a nitro.,CC1CCN(c2ncc(C(=O)Nc3ccc(SC(F)NO)cc3)cc2-c2cncnc2)C1
DelComponent,Remove a amine from the molecule COCC([NH3+])CCNS(=O)(=O)NC(C)C.,COCC([NH3+])CCS(=O)(=O)NC(C)C
LogP,Please optimize the molecule O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 to have a lower LogP value.,O=C(Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1(F)cccc-1F
MR,Please optimize the molecule CN(C)c1ccc(CNC(=O)CCOCC(F)(F)F)cc1 to have a higher MR value.,CN(C)c1ccc(CNC(=O)CCOCC(F)(F)C#N)cc1
QED,Optimize the molecule COc1cccc(CC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(OCc3cnc(Cl)s3)cc2)c1 to have a higher QED value.,COc1cccc(N=Cc2ccccc2OS(=O)(=O)c2ccc(OCc3cnc(Cl)s3)cc2)c1
AtomNum,"There is a molecule consisting of 11 carbon atoms, 3 nitrogen atoms, and 3 sulfur atoms.",CC(C)(C)NSc1nc2c(SN)cccc2s1
BondNum,"Please generate a molecule composed of 15 single bonds, 2 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CC(C)NC(=O)CSc1ccccc1C(=O)NCCc1ccc(C(C)C)cc1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 3 halo groups.",CC(C)c1c(Cl)ncnc1Oc1cc(F)cc(Br)c1
AddComponent,Add a hydroxyl to the molecule OC1C(=Cc2ccc3c(c2)OCO3)CCc2ccccc21.,OC1Oc2ccc(C=C3CCc4ccccc4C3O)cc2O1
SubComponent,Please substitute a halo in the molecule Nc1cnc(C(F)(F)F)cc1Oc1cc(Br)ccc1Cl with a hydroxyl.,Nc1cnc(C(O)(F)F)cc1Oc1cc(Br)ccc1Cl
DelComponent,Please remove a hydroxyl from the molecule Cc1cc(C=C2OCCC2=O)ccc1O.,Cc1cccc(C=C2OCCC2=O)c1
LogP,Modify the molecule N#CC(=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)NCc1ccccc1 to increase its LogP value.,O=C(Cn1cc(C=C(S)C(=O)NCc2ccccc2)c2ccccc21)Nc1ccccc1
MR,Please modify the molecule CCCN(CCC)C(=O)OCCCc1cccc(Cl)c1 to increase its MR value.,CCCN(CCCO)C(=O)OCCCc1cccc(Cl)c1
QED,Please optimize the molecule Cn1cnc2c1C(C[NH3+])C(C)(C)CC2 to have a higher QED value.,Cn1cnc2c1C(C[NH3+])(c1ccccc1)C(C)(C)CC2
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",C[NH2+]CC1(C(C)CCOC)CCOC1
BondNum,"Please generate a molecule composed of 4 single bonds, 1 double bond, 2 rotatable bonds, and 21 aromatic bonds.",COc1cc(-n2cnc(=O)c3c2ncn3C)c2ncccc2c1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, 1 amide group, 3 halo groups, and 1 sulfone group.",O=C1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCN1CCO
AddComponent,Please add a benzene ring to the molecule CC1CCCC1CNS(=O)(=O)c1ccnc(Cl)c1.,CC1C(CNS(=O)(=O)c2ccnc(Cl)c2)CCC1c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a CN(C)C(=O)C(CNC(=S)C(NO)=[NH+]c1ccc(Cl)cc1)NC(=O)c1nc2c(s1)C[NH+](C)CC2 with a nitro.,CN(C)C(=O)C(CNC(=S)C(NNO)=[NH+]c1ccc(Cl)cc1)NC(=O)c1nc2c(s1)C[NH+](C)CC2
DelComponent,Modify the molecule CC[NH+](CC)CCN(C(=O)CCSc1ccc(F)cc1)c1nc2c(Cl)cccc2s1 by removing a halo.,CC[NH+](CC)CCN(C(=O)CCSc1ccccc1)c1nc2c(Cl)cccc2s1
LogP,Please modify the molecule Cc1ccc(C#N)c(N2CCCC(N3CCCC3=O)CC2)n1 to increase its LogP value.,CCC1CCCN(c2nc(C)ccc2C#N)CC1
MR,Modify the molecule Cc1cc(C)c2ccc3ccc(-c4ccc(-c5ccc6ccc7c(C)cc(C)nc7c6n5)c(C)c4)nc3c2n1 to decrease its MR value.,Cc1cc(C)c2ccc3ccc(Cc4ccc5ccc6c(C)cc(C)nc6c5n4)nc3c2n1
QED,Please optimize the molecule Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)nn1 to have a lower QED value.,Cc1cc(Cl)ccc1NC(=O)c1cc(N)c(C)nn1
AtomNum,"The molecule contains 13 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 sulfur atom, 1 chlorine atom, and 1 bromine atom.",CC(Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1ccc(Cl)s1
BondNum,"The molecule is composed of 17 single bonds, 4 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",COC(=O)c1c(S(=O)(=O)NCc2ccc(Cl)cc2)sc2c1CCN(C(=O)C(C)C)C2
FunctionalGroup,The molecule consists of and 1 ketone group.,CCCOC1(C(C)=O)CCC(C)C1
AddComponent,Modify the molecule CCN(CC(=O)Nc1ccccc1OC)C(=O)c1csc(-c2cccs2)n1 by adding a amine.,CCN(CC(=O)Nc1cccc(N)c1OC)C(=O)c1csc(-c2cccs2)n1
SubComponent,Please substitute a halo in the molecule CS(=O)(=O)N(CCNC(=O)c1cccnc1)c1ccccc1F with a hydroxyl.,CS(=O)(=O)N(CCNC(=O)c1cccnc1)c1ccccc1O
DelComponent,Please remove a amine from the molecule CCC(C(N)=S)[NH+]1CCN(c2cc[nH+]c(C(N)=O)c2)CC1.,CCC(C=S)[NH+]1CCN(c2cc[nH+]c(C(N)=O)c2)CC1
LogP,Modify the molecule Cc1cc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccc(F)cc4)n3)no2)no1 to have a lower LogP value.,Cc1cc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccccc4)n3)no2)no1
MR,Please optimize the molecule COc1cccc(OC)c1C[N+]1([O-])Cc2ccccc2OC(c2cccc3c2OC(F)(F)O3)C1 to have a lower MR value.,COc1cccc(OC)c1C[N+]1([O-])Cc2ccccc2OC(c2cccc3c2OC(F)O3)C1
QED,Modify the molecule CCCc1c(OCCC=CC=CC(c2c(OC(=O)[O-])oc3c(c2=O)=CCC(=S)C=3)C(O)c2ccsc2)ccc(C(C)=O)c1O to have a lower QED value.,CCCc1c(OCCC=CC=CC(c2c(OC(=O)[O-])oc3c(c2=O)=CCC(=S)C=3)C(NO)c2ccsc2)ccc(C(C)=O)c1O
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COC(=O)C(CCCC[NH3+])N(Cc1ccccc1)OC=O
BondNum,"The molecule is composed of 11 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC(=O)NCCNC(=O)NCCc1cccc(Br)c1
FunctionalGroup,"The molecule has 3 amide groups, and 2 halo groups.",CN1C(=O)C2[NH+](N(C)C1=O)C1(Br)C(=O)NC(=O)C21Br
AddComponent,Add a benzene ring to the molecule Cc1ccc2cc(C3=CCCCC3)nc(Nc3ccc(CC4=CCCOCC4)cc3)c2c(=O)n1.,Cc1ccc2c(-c3ccccc3)c(C3=CCCCC3)nc(Nc3ccc(CC4=CCCOCC4)cc3)c2c(=O)n1
SubComponent,Modify the molecule nitrile by substituting a C=CC(=O)N1CCC(c2nc(-c3ccc(C(=O)Nc4cc(C#N)ccn4)c(C#N)c3)n3c(N)nccc23)C1 with a nitro.,C=CC(=O)N1CCC(c2nc(-c3ccc(C(=O)Nc4cc(NO)ccn4)c(C#N)c3)n3c(N)nccc23)C1
DelComponent,Remove a Cc1ccc(C(CS)C(=O)[O-])o1 from the molecule thiol.,Cc1ccc(C(C)C(=O)[O-])o1
LogP,Modify the molecule CC(C)(C)OC(=O)N1C2CCC1C(c1ccc(OS(=O)(=O)C(F)(F)F)nc1)C2 to have a lower LogP value.,CC(C)(C)OC(=O)N1C2CCC1C(c1ccc(OS(=O)(=O)C(F)F)nc1)C2
MR,Please modify the molecule O=COc1c(COc2ccccc2)[nH]c2ccccc12 to increase its MR value.,O=COc1c(COc2cccc(C(=O)O)c2)[nH]c2ccccc12
QED,Optimize the molecule COc1nc(SCCC=C(F)F)ns1 to have a higher QED value.,COc1nc(SCCC(O)=C(F)F)ns1
AtomNum,"Please generate a molecule with 66 carbon atoms, 9 oxygen atoms, 3 nitrogen atoms, and 3 phosphorus atoms.",CCN(CC)C(=O)C(C)Cc1cc(C(C)(C)C)c(OP2OP(Oc3c(C(C)(C)C)cc(CC(C)C(=O)N(CC)CC)cc3C(C)(C)C)OP(Oc3c(C(C)(C)C)cc(CC(C)C(=O)N(CC)CC)cc3C(C)(C)C)O2)c(C(C)(C)C)c1
BondNum,"Please generate a molecule composed of 13 single bonds, and 5 rotatable bonds.",CCCC1CC1[NH2+]C(C)C1CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 amide group.",CCC(C)(C[NH3+])C(=O)Nc1ccc(OC(C)C)cc1C
AddComponent,Add a benzene ring to the molecule CN1CC[NH2+]CC1CCc1cccc2ccccc12.,c1ccc(CN2CC[NH2+]CC2CCc2cccc3ccccc23)cc1
SubComponent,Please substitute a hydroxyl in the molecule Cc1ccc(CCNC(=O)NCC(C)(O)c2ccsc2)cc1 with a aldehyde.,CC(=O)C(C)(CNC(=O)NCCc1ccc(C)cc1)c1ccsc1
DelComponent,Please remove a Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1 from the molecule halo.,Cc1ccc(-c2cc(CF)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1
LogP,Modify the molecule Cc1c(C(=O)N2CCCC(CCC(=O)[O-])C2)oc2ccc(Cl)cc12 to decrease its LogP value.,Cc1c(C(=O)N2CCCC(CCC(=O)[O-])C2)oc2ccc(NO)cc12
MR,Please optimize the molecule Cc1cc(Cl)cc(C)c1OCC(C)CCl to have a higher MR value.,CC(=O)c1cc(C)c(OCC(C)CCl)c(C)c1
QED,Please modify the molecule Cc1nn2cccnc2c1C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 to decrease its QED value.,CC(=O)C(F)(F)c1cc(S(=O)(=O)NC(=O)c2c(C)nn3cccnc23)ccc1C#N
AtomNum,"There is a molecule consisting of 13 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 3 fluorine atoms, and 1 bromine atom.",CCCC([NH3+])c1noc(-c2ccc(Br)c(C(F)(F)F)c2)n1
BondNum,"There is a molecule with 30 single bonds, 6 double bonds, 20 rotatable bonds, and 12 aromatic bonds.",CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]
FunctionalGroup,"The molecule has 2 benzene ring groups, and 3 halo groups.",Fc1ccc(COc2ccc(Cl)cc2C2=C(c3ccccn3)CCC2)c(F)c1
AddComponent,Add a amine to the molecule COc1ccc(OC)c(CN2c3ncnc(N)c3CN2Cc2ccc(Cn3cccn3)cc2)c1F.,COc1ccc(OCN)c(F)c1CN1c2ncnc(N)c2CN1Cc1ccc(Cn2cccn2)cc1
SubComponent,Please substitute a halo in the molecule [NH3+]C1CC(c2ccc(Cl)cc2)Oc2ccccc2C1O with a nitro.,[NH3+]C1CC(c2ccc(NO)cc2)Oc2ccccc2C1O
DelComponent,Remove a benzene ring from the molecule c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc6ccccc56)nc5ccc(-c6cccc7ccccc67)cc45)c3)c2)cc1.,c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc6ccccc56)nc5ccc(-c6cccc7ccccc67)cc45)c3)n2)cc1
LogP,Please modify the molecule CNc1cccc(Nc2ccc(F)c(C(F)(F)F)c2)n1 to increase its LogP value.,CNc1cccc(Nc2ccc(S)c(C(F)(F)F)c2)n1
MR,Modify the molecule COC(=O)c1nc(C)cc(NC(C)C[NH3+])n1 to have a higher MR value.,COC(=O)c1nc(C)c(N)c(NC(C)C[NH3+])n1
QED,Optimize the molecule COCC(O)C[NH2+]Cc1ccc(C)c(Cl)c1 to have a lower QED value.,COCC(O)(O)C[NH2+]Cc1ccc(C)c(Cl)c1
AtomNum,"There is a molecule consisting of 14 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CCC[NH2+]C(CN1CCCCCC1C)C(=O)OC
BondNum,"The molecule consists of 16 single bonds, 4 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",COc1cc(C)c(S(=O)(=O)C2CS(=O)(=O)CC2NC2CC2)cc1C
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, 1 halo group, and 1 sulfone group.",O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1
AddComponent,Please add a benzene ring to the molecule O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.,O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(-c2ccccc2)c(Cl)c(C(F)(F)F)c1
SubComponent,Substitute a COc1cc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)NC(C)C)c3)CC2)ccc1NC(=O)c1ccc(C)cc1 in the molecule halo with a nitrile.,COc1cc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C#N)c(C(=O)NC(C)C)c3)CC2)ccc1NC(=O)c1ccc(C)cc1
DelComponent,Modify the molecule benzene ring by removing a CCc1ccc(-c2nccn2S(C)(=O)=O)cc1.,CCc1nccn1S(C)(=O)=O
LogP,Modify the molecule CN(c1ccc2nccnc2c1)S(=O)(=O)Cc1ccc(F)cc1 to decrease its LogP value.,CN(c1ccc2nccnc2c1)S(=O)(=O)Cc1ccc(F)cc1N
MR,Modify the molecule O=C(c1c(Nc2ccc(I)cc2F)sc2ncccc12)N1CCCC1 to decrease its MR value.,O=C(c1c(N(F)I)sc2ncccc12)N1CCCC1
QED,Please modify the molecule CC1(C)CCCCC1[NH2+]Cc1ccc(Cl)o1 to decrease its QED value.,CC1(C)CCCCC1[NH2+]Cc1ccc(O)o1
AtomNum,"There is a molecule with 20 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",O=C(C=CC[NH+]1CCOCC1)Nc1ncc2ccc(OCC3CC3)cc2n1
BondNum,"There is a molecule with 18 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",COc1ccc(-c2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn2)cc1OC
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, 2 amine groups, and 2 nitrile groups.",N#CCCN(CCNc1ccccc1)C(=O)Nc1ccc(NC(=O)N(CCC#N)CCNc2ccccc2)cc1
AddComponent,Add a hydroxyl to the molecule Cc1cccc(-c2ccn(CCCCCl)c(=O)n2)n1.,Cc1nc(-c2ccn(CCCCCl)c(=O)n2)ccc1O
SubComponent,Modify the molecule hydroxyl by substituting a CCn1cc(-c2cccc(O)c2)cc1N with a halo.,CCn1cc(-c2cccc(I)c2)cc1N
DelComponent,Please remove a benzene ring from the molecule CNc1cc(C)ccc1C(=O)N(CCCO)C(C)C.,CNCC(=O)N(CCCO)C(C)C
LogP,Modify the molecule CCCN=C(N[NH3+])N(CC)C(C)C to have a higher LogP value.,CCCN=C([NH3+])N(CC)C(C)C
MR,Please modify the molecule COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(-c3ccccc3C)nn2)C1 to decrease its MR value.,COc1ccc(C)cc1NC(=O)C1CCCN(c2ccc(C)nn2)C1
QED,Please optimize the molecule COc1ccc2nc(SCC(O)c3cccc(Br)c3)[nH]c2c1 to have a lower QED value.,COc1ccc2nc(SCC(O)c3ccc(C#N)c(Br)c3)[nH]c2c1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCN(C1CCCC1C[NH3+])S(=O)(=O)CC1CCCO1
BondNum,"The molecule has 10 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",CC[NH2+]C(Cc1c(C)cccc1C)c1ccc(F)c(F)c1
FunctionalGroup,"The molecule has 1 ketone group, and 1 ester group.",CCOC(=O)C1CCc2nccnc2C1=O
AddComponent,Add a benzene ring to the molecule CC(C)CCCOC(=O)c1cc([N+](=O)[O-])ccc1Br.,CC(C)CCC(OC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1
SubComponent,Please substitute a COC(=O)c1ccc(N(Cc2ccccc2)Cc2csc3cc(Br)ccc23)cc1 in the molecule halo with a nitrile.,COC(=O)c1ccc(N(Cc2ccccc2)Cc2csc3cc(C#N)ccc23)cc1
DelComponent,Remove a O=Cc1cc(Oc2ccc(F)cc2Cl)ccc1[N+](=O)[O-] from the molecule halo.,O=Cc1cc(Oc2ccccc2Cl)ccc1[N+](=O)[O-]
LogP,Please modify the molecule CCOc1ccc(Oc2cccc(F)c2CCl)cc1 to decrease its LogP value.,CCOc1ccc(Oc2ccccc2CCl)cc1
MR,Modify the molecule O=C(Nc1cc(Cl)cc(Cl)c1)C(=Cc1ccccc1)NC(=O)c1ccccc1 to increase its MR value.,O=C(Nc1cc(Cl)cc(Cl)c1-c1ccccc1)C(=Cc1ccccc1)NC(=O)c1ccccc1
QED,Optimize the molecule COC(=O)C(=O)C(Cl)c1ccc(C)c(F)c1 to have a lower QED value.,COC(=O)C(=O)C(Cl)c1ccc(C)cc1
AtomNum,"Please generate a molecule with 16 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1cc2cnc(C(=O)NC3CC4CC[NH+](C4)C3)cc2o1
BondNum,"There is a molecule composed of 18 single bonds, 2 double bonds, 6 rotatable bonds, and 16 aromatic bonds.",O=C(C[NH+]1CCN(CCn2c(=O)oc3ccccc32)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1
FunctionalGroup,Please generate a molecule consisting and 1 amine group.,COC(=O)Nc1ccc(NCC[NH+]2CCOCC2)nc1
AddComponent,Modify the molecule COc1nc(C[NH2+]C(C)C)cc2ccccc12 by adding a benzene ring.,COc1nc(C[NH2+]C(C)C)c(-c2ccccc2)c2ccccc12
SubComponent,Please substitute a hydroxyl in the molecule CCC1(CO)CCN(C(=O)Nc2cnn(CCC(C)C)c2C)CC1 with a carboxyl.,CCC1(CC(=O)[OH])CCN(C(=O)Nc2cnn(CCC(C)C)c2C)CC1
DelComponent,Please remove a benzene ring from the molecule COc1ccc(CC(C)[NH2+]C2CCCC2SC)cc1.,COCC(C)[NH2+]C1CCCC1SC
LogP,Modify the molecule CN(C)c1ncc(NC(=O)C(O)c2cc(Cl)cc(Cl)c2)cn1 to increase its LogP value.,CN(C)c1ncc(NC(=O)C(C#N)c2cc(Cl)cc(Cl)c2)cn1
MR,Modify the molecule CCOc1cc(N=NC(C(C)=O)C(=O)Nc2cc(Cl)cc(OCC)c2OCC)cc(OCC)c1Cl to have a lower MR value.,CCOc1cc(N=NC(C(C)=O)C(=O)Nc2cc(C#N)cc(OCC)c2OCC)cc(OCC)c1Cl
QED,Modify the molecule O=C(CCl)OC1CSCCCCS1 to increase its QED value.,CC(=O)OC1CSCCCCS1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1c(C#N)c(N2CCC(C(=O)[O-])CC2)nc2ccccc12
BondNum,"The molecule consists of 8 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",O=C(NCC(C(=O)[O-])c1ccccc1)c1ccoc1Cl
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 hydroxyl groups, and 1 nitrile group.",N#Cc1cccc(OCC(O)C[NH2+]C2(CO)CCC2)c1
AddComponent,Add a thiol to the molecule CC[NH+](CCC(CO)([NH2+]C)c1ccccc1)CC1CCC1.,CC[NH+](CCC(CO)([NH2+]C)c1cccc(S)c1)CC1CCC1
SubComponent,Substitute a CC(C)(C)c1cc2ccc3ccc(-c4ccc5cc(Br)ccc5c4)c4ccc(c1)c2c34 in the molecule halo with a aldehyde.,CC(=O)c1ccc2cc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)ccc2c1
DelComponent,Please remove a CCCNC(NCC[NH+]1CCN(CC)CC1)=[NH+]C from the molecule amine.,CCCNC(CC[NH+]1CCN(CC)CC1)=[NH+]C
LogP,Modify the molecule CC(C)C1CCN(c2ncc(F)cc2CCl)CC1 to have a lower LogP value.,CC(C)C1CCN(c2ncccc2CCl)CC1
MR,Please modify the molecule O=C(Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(Cl)n1 to increase its MR value.,O=C(Nc1ccc(C(=O)[O-])c(C(=O)[OH])c1)c1cccc(Cl)n1
QED,Modify the molecule CCOC(=N)c1csc(C2OC(CO)C(O)C2O)n1 to increase its QED value.,CC(=O)CC1OC(c2nc(C(=N)OCC)cs2)C(O)C1O
AtomNum,"The molecule consists of 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",CC[NH2+]CC1CC[NH+](C)C1c1c(Cl)cccc1OC
BondNum,"The molecule has 6 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",O=C([O-])c1occc1CS(=O)c1cccc(Br)c1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 1 amide group.",CC(C)Oc1ccc(C(=O)NCCOc2ccccc2)cc1
AddComponent,Modify the molecule CCCC(C)([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 by adding a hydroxyl.,CCCC(C)([NH3+])C(=O)NCC1CCN(CC[NH+](C)CO)CC1
SubComponent,Substitute a CC(C)OC(=O)COc1c(Br)cc(Cl)cc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O in the molecule halo with a hydroxyl.,CC(C)OC(=O)COc1c(O)cc(Cl)cc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O
DelComponent,Modify the molecule benzene ring by removing a CS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1.,CS(=O)(=O)N1CCN(C(=O)NOc2ccccc2)CC1
LogP,Modify the molecule COC(=O)c1ccc(CCc2cc3c(N)nc(N)nc3[nH]2)cc1 to have a lower LogP value.,COC(=O)c1ccc(CC(N)c2cc3c(N)nc(N)nc3[nH]2)cc1
MR,Modify the molecule Cc1cc(Br)cnc1C(C)(C)C#N to have a lower MR value.,Cc1cc(S)cnc1C(C)(C)C#N
QED,Modify the molecule Cc1ccc(NCC[NH2+]Cc2ccc(OC(C)C)cc2)cc1 to decrease its QED value.,Cc1ccc(NCC[NH2+]Cc2ccc(OC(C)CCC=O)cc2)cc1
AtomNum,"The molecule has 27 carbon atoms, 6 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",CCCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)C2c2cc(Cl)c(O)c(OCC)c2)cc1
BondNum,"The molecule consists of 12 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",CC(=NNc1nc(SCC(=O)NC(C)(C)C)n[nH]1)c1ccccn1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 hydroxyl group, 2 amide groups, and 1 halo group.",O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCCNC(=O)c1cccc(O)c1
AddComponent,Please add a hydroxyl to the molecule CCc1ncc(C(=O)Nc2ccc(NC(C)=O)c(OC)c2)s1.,COc1cc(NC(=O)c2cnc(CCO)s2)ccc1NC(C)=O
SubComponent,Substitute a halo in the molecule C=CCNc1c(F)cccc1C(=O)[O-] with a nitro.,C=CCNc1c(NO)cccc1C(=O)[O-]
DelComponent,Please remove a CCOc1c(OC)c2c(c(OC)c1C(=O)C=Cc1ccc(OC)cc1)CC([NH+]1CCCCC1)O2 from the molecule benzene ring.,CCOc1c(OC)c2c(c(OC)c1C(=O)C=COC)CC([NH+]1CCCCC1)O2
LogP,Modify the molecule Cc1ccccc1S(=O)(=O)N1CC[NH+](C)C(c2ccccc2F)C1 to decrease its LogP value.,Cc1ccccc1S(=O)(=O)N1CC[NH+](C)C(c2ccccc2O)C1
MR,Please optimize the molecule CC(C)C1=C(C(=O)[O-])SC2=[NH+]CC(c3ccc(Cl)cc3)N21 to have a higher MR value.,CC(C)C1=C(C(=O)[O-])SC2=[NH+]CC(c3ccc(C(=O)[OH])cc3)N21
QED,Please optimize the molecule Nc1cnc2c(c1)CSC2 to have a lower QED value.,c1cnc2c(c1)CSC2
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 4 fluorine atoms.",COC(=O)C(F)(Oc1cccc2c1CC(C)N2Cc1ccccc1)C(F)(F)F
BondNum,"There is a molecule with 10 single bonds, 1 double bond, 2 rotatable bonds, and 16 aromatic bonds.",CN(C(=O)c1ccccc1Cl)c1ccc2c(c1)nc1n2CCOC1
FunctionalGroup,The molecule has and 1 hydroxyl group.,CCCCOCC(O)C[NH+]1CCCCC1CC[NH2+]C
AddComponent,Please add a hydroxyl to the molecule [NH3+]C(Cc1ccccc1)C(O)C[NH2+]CCCCc1ccccc1.,[NH3+]C(Cc1ccccc1O)C(O)C[NH2+]CCCCc1ccccc1
SubComponent,Please substitute a halo in the molecule O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)OCc1cc(Cl)c2c(c1)OCO2 with a carboxyl.,O=C(CCNS(=O)(=O)c1c(Cl)cccc1C(=O)[OH])OCc1cc(Cl)c2c(c1)OCO2
DelComponent,Please remove a COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 from the molecule benzene ring.,COc1ccc(S(=O)(=O)N(F)CC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)cc1
LogP,Optimize the molecule CCOC(Cc1ccc(OCCN(CCCOc2ccccc2)C(=O)Oc2ccc(Br)cc2)cc1)C(=O)[O-] to have a lower LogP value.,CCOC(Cc1ccc(OCCN(CCCOc2ccccc2)C(=O)Oc2ccc(S)cc2)cc1)C(=O)[O-]
MR,Please optimize the molecule CCCCn1c(=O)c2ccccc2n2c(SCc3ccc(F)c4cccnc34)nnc12 to have a higher MR value.,CCCCn1c(=O)c2ccccc2n2c(SCc3ccc(C#N)c4cccnc34)nnc12
QED,Optimize the molecule O=C(Cn1nnc(-c2ccsc2)n1)N(c1ccccc1)C1CCS(=O)(=O)C1 to have a higher QED value.,O=S1(=O)CCC(c2ccccc2)(n2nnc(-c3ccsc3)n2)C1
AtomNum,"The molecule has 35 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 1 chlorine atom.",Cc1ccccc1NC(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC(C)C)c3)CC2)cc1
BondNum,"There is a molecule with 9 single bonds, 2 double bonds, 1 rotatable bond, and 11 aromatic bonds.",O=C(N=c1sccn1-c1ccc(Cl)cn1)N1CCCC1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 hydroxyl group, and 2 halo groups.",Cc1ccc(NC(=O)NCC(O)c2c(F)cccc2F)c(C)c1
AddComponent,Add a carboxyl to the molecule CCc1cccc(NC(C)CCc2ccccc2)c1.,CCc1cccc(NC(C)(CCc2ccccc2)C(=O)O)c1
SubComponent,Please substitute a halo in the molecule Cc1ccc(F)cc1NC(=O)Nc1ccc(-c2cc(C(=O)NC(C(=O)[O-])C(C)C)on2)cc1 with a aldehyde.,CC(=O)c1ccc(C)c(NC(=O)Nc2ccc(-c3cc(C(=O)NC(C(=O)[O-])C(C)C)on3)cc2)c1
DelComponent,Please remove a benzene ring from the molecule O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NC1CCCN(c2ccccc2)C1=O.,O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NC1CCCNC1=O
LogP,Optimize the molecule C#CCOc1cnc2c(Nc3ccc(F)c(C4(CF)[NH+]=C(N)SC5CC54)c3)nccc2n1 to have a higher LogP value.,C#CCOc1cnc2c(Nc3ccc(F)c(C4(CF)[NH+]=CSC5CC54)c3)nccc2n1
MR,Modify the molecule C=CCN(CC=C)S(=O)(=O)c1c(C)nn(CCO)c1C to have a higher MR value.,CC(=O)CCn1nc(C)c(S(=O)(=O)N(CC=C)CC=C)c1C
QED,Modify the molecule COC(=O)C(F)c1cccc(OC)c1OC to decrease its QED value.,COC(=O)Cc1cccc(OC)c1OC
AtomNum,"Please generate a molecule with 11 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CCOC(c1ncc(C(C)O)s1)C(C)C
BondNum,"The molecule has 89 single bonds, 2 double bonds, and 69 rotatable bonds.",CCCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
FunctionalGroup,"Please generate a molecule consisting 2 ketone groups, and 1 amine group.",CC(C)(C)c1nc2c(o1)C(=O)C(=O)c1ccc(N)cc1-2
AddComponent,Please add a benzene ring to the molecule CC(=O)c1cccc(OCC(=O)OCC(=O)NC(=O)NCC(F)(F)F)c1.,CC(=O)c1ccc(-c2ccccc2)c(OCC(=O)OCC(=O)NC(=O)NCC(F)(F)F)c1
SubComponent,Modify the molecule OCC1(CNc2ccncn2)CCCCC1 by substituting a hydroxyl with a carboxyl.,O=C([OH])CC1(CNc2ccncn2)CCCCC1
DelComponent,Please remove a CC(C)(C)Nc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1 from the molecule amine.,CC(C)(C)c1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1
LogP,Please optimize the molecule Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(Br)c(C)c3C)o2)c1 to have a lower LogP value.,Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cccc(C)c3C)o2)c1
MR,Please modify the molecule Cc1ccc2c(c1)CN(C)C(C[NH3+])C2 to increase its MR value.,Cc1ccc2c(c1)CN(C)C(C[NH3+])C2c1ccccc1
QED,Please modify the molecule O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(NC(=O)C2CC2)cc1 to decrease its QED value.,O=C(NC1CCN(C(=O)c2ccccc2F)C(c2ccccc2)C1)c1ccc(NC(=O)C2CC2)cc1
AtomNum,"There is a molecule consisting of 12 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",OCC1C[NH+](Cc2ccccc2)CC1Cl
BondNum,"Please generate a molecule consisting 54 single bonds, 2 double bonds, and 18 rotatable bonds.",FC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F)C(F)(F)SC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
FunctionalGroup,"The molecule contains 1 amine group, and 1 halo group.",CCC(CC)C(Cl)CNc1ncnc2c1CCC2
AddComponent,Modify the molecule Cc1ccc(C(=O)OC(C)C(=O)N2CCCC2)n1C by adding a amine.,CC(OC(=O)c1ccc(CN)n1C)C(=O)N1CCCC1
SubComponent,Please substitute a Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(C(=O)NCCC(=O)Nc4ccc(NC(=O)c5cccc(F)c5)cc4)CC3)c2)cc1F in the molecule halo with a carboxyl.,Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(C(=O)NCCC(=O)Nc4ccc(NC(=O)c5cccc(C(=O)[OH])c5)cc4)CC3)c2)cc1F
DelComponent,Remove a CC1CCc2cc(F)ccc2N1C(=O)C1CCCN(c2ccc(-c3cccnc3)nn2)C1 from the molecule halo.,CC1CCc2ccccc2N1C(=O)C1CCCN(c2ccc(-c3cccnc3)nn2)C1
LogP,Please modify the molecule Nc1cc2c(N)nc(-c3ccc4c(cnn4Cc4cccc(F)c4)c3)nc2cn1 to decrease its LogP value.,Nc1cc2c(N)nc(-c3ccc4c(cnn4Cc4ccccc4)c3)nc2cn1
MR,Please optimize the molecule COc1cc(C(=O)c2cccc(Cl)c2C)ccc1Cl to have a higher MR value.,COc1cc(C(=O)c2cccc(Cl)c2CC(=O)O)ccc1Cl
QED,Please modify the molecule Cc1c(-c2ccc3c(c2)-c2ccccc2C3)nc2ccc(Br)cc2c1C(=O)NC12CCC(CC1)CC2 to increase its QED value.,Cc1c(-c2ccc3c(c2)-c2ccccc2C3)nc2ccc(C#N)cc2c1C(=O)NC12CCC(CC1)CC2
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 6 oxygen atoms, and 9 nitrogen atoms.",CCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCC(=O)N1c2ccc(NC(=O)[O-])cc2CC1C(=O)NCc1nn[n-]n1
BondNum,"The molecule is composed of 19 single bonds, 8 rotatable bonds, and 69 aromatic bonds.",CNc1ccccc1N(c1ccccc1)c1ccc2c(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c3cc(N4c5ccccc5N(C)c5ccccc54)ccc3c(-c3cccc4ccccc34)c2c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",CCC1CCCC(O)(Cc2ccc(I)cc2)CC1
AddComponent,Please add a carboxyl to the molecule COC1C[NH2+]CC1NC(=O)C(C)Cc1ccccc1Cl.,COC1C[NH2+]CC1NC(=O)C(C)Cc1ccc(C(=O)O)cc1Cl
SubComponent,Substitute a halo in the molecule CCCc1nnc(Cl)n1C(C)C1CCCO1 with a aldehyde.,CC(=O)c1nnc(CCC)n1C(C)C1CCCO1
DelComponent,Remove a COC1(CNC(=O)CC(C)C)C2CC3CC(C2)CC1C3 from the molecule amide.,COC1(CC(C)C)C2CC3CC(C2)CC1C3
LogP,Modify the molecule CC(C)(C)CC(CC(=O)[O-])NS(=O)(=O)c1sccc1Br to have a lower LogP value.,CC(C)(C)CC(CC(=O)[O-])NS(=O)(=O)c1sccc1O
MR,Optimize the molecule Cc1cc(NC(=O)c2csc(Br)c2)n(-c2ccccc2)n1 to have a higher MR value.,CC(=O)c1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)cs1
QED,Optimize the molecule CCC(Cc1cn(C)nn1)[NH2+]C to have a lower QED value.,C[NH2+]C(Cc1cn(C)nn1)C(C)CC=O
AtomNum,"The molecule is composed of 16 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",O=C(CCNC(=O)c1ccc(Br)cc1)OCC(=O)N1CCOCC1
BondNum,"There is a molecule consisting of 17 single bonds, 8 double bonds, 10 rotatable bonds, and 29 aromatic bonds.",Cc1ccccc1Nc1nc(F)nc(Nc2ccc(NC(N)=O)c(N=Nc3cc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4cc3S(=O)(=O)[O-])c2)n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 1 halo group.",CCC(C)C(Cl)Cc1ccccc1OC
AddComponent,Please add a hydroxyl to the molecule CCCCCCCCCc1cccc(SSOP(=O)([O-])[O-])c1CCCCCCCCC.,CCCCCCCCCc1c(O)ccc(SSOP(=O)([O-])[O-])c1CCCCCCCCC
SubComponent,Modify the molecule Cc1cc(C)n(-c2ccc(C(=O)OCC#N)cn2)n1 by substituting a nitrile with a halo.,Cc1cc(C)n(-c2ccc(C(=O)OCF)cn2)n1
DelComponent,Remove a benzene ring from the molecule NC(=O)Nc1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1.,NC(=O)NC(=O)NCCC(c1ccccc1)c1ccccc1
LogP,Optimize the molecule CC[NH2+]C(C)CC(=O)NCc1cnc[nH]1 to have a higher LogP value.,CC[NH2+]C(C)Cc1cnc[nH]1
MR,Please optimize the molecule O=C(CCc1ccccc1Cl)Nc1ccc(Cl)nn1 to have a higher MR value.,O=C(CCc1ccc(-c2ccccc2)cc1Cl)Nc1ccc(Cl)nn1
QED,Optimize the molecule Cc1nccc(CNS(=O)(=O)c2cc(N)cc(F)c2)n1 to have a lower QED value.,Cc1nccc(CNS(=O)(=O)c2cc(F)cc(N)c2-c2ccccc2)n1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",NS(=O)(=O)c1ccc(CCNC(=S)NCCN2CC[NH2+]CC2)cc1
BondNum,"There is a molecule composed of 16 single bonds, 3 double bonds, and 3 rotatable bonds.",CC1CCCCC1CNC(=O)C1=NNC(=O)CC1
FunctionalGroup,"Please generate a molecule composed of 3 benzene ring groups, and 1 amide group.",COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccc(C(=O)N4CC[NH+](C(C)C)CC4)cc3)cn2)cc1
AddComponent,Please add a carboxyl to the molecule COC1CCN(c2ccc(C[NH2+]C(C)C)cc2)C1.,COC1CCN(c2ccc(C[NH2+]C(C)C)cc2C(=O)O)C1
SubComponent,Substitute a halo in the molecule COC1CC2C(=O)Nc3c(Cl)cccc3N2C1 with a hydroxyl.,COC1CC2C(=O)Nc3c(O)cccc3N2C1
DelComponent,Please remove a COc1cccc(NC(=O)NCc2nc3ccccc3[nH]2)c1 from the molecule benzene ring.,CONC(=O)NCc1nc2ccccc2[nH]1
LogP,Modify the molecule N#Cc1cccc(CNc2c(Cl)cccc2Cl)c1F to decrease its LogP value.,CC(=O)c1cccc(Cl)c1NCc1cccc(C#N)c1F
MR,Modify the molecule N#Cc1ccc2c(c1)OSN(SC(Br)=C(Br)Br)C2=O to decrease its MR value.,N#Cc1ccc2c(c1)OSN(SC=C(Br)Br)C2=O
QED,Please modify the molecule CCn1c(CO)nnc1C1CC(NC(=O)c2ccccc2N2CCCC2)C1 to decrease its QED value.,CCn1c(CI)nnc1C1CC(NC(=O)c2ccccc2N2CCCC2)C1
AtomNum,"The molecule has 21 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 2 sulfur atoms.",CC(Sc1ccccc1)(Sc1ccccc1)C(=O)Nc1ccccc1
BondNum,"There is a molecule with 12 single bonds, 7 rotatable bonds, and 9 aromatic bonds.",Cc1nn(C)c2c1nc(CCl)n2CCCCOC(C)C
FunctionalGroup,The molecule is composed of and 1 ester group.,CCOC(=O)c1nccc2c1CC1(CCCCC1)C2
AddComponent,Add a amine to the molecule Cc1c(C(=O)OC2CCCCC2)sc2ncn(Cc3cccs3)c(=O)c12.,Cc1c(C(=O)OC2CCC(N)CC2)sc2ncn(Cc3cccs3)c(=O)c12
SubComponent,Substitute a COc1cc(Br)c(F)cc1NC(C)=CC(=O)c1cc(SCc2ccccc2)ccc1F in the molecule halo with a thiol.,COc1cc(S)c(F)cc1NC(C)=CC(=O)c1cc(SCc2ccccc2)ccc1F
DelComponent,Please remove a amine from the molecule CCCn1nc2c(N)nc3ccccc3c2c1CC(C)(C)NC(=O)c1ccncc1.,CCCn1nc2cnc3ccccc3c2c1CC(C)(C)NC(=O)c1ccncc1
LogP,Please modify the molecule CC(=O)c1cccc(NC(=O)NCC[NH+]2CCCCC2CO)c1 to increase its LogP value.,CC(=O)c1cccc(NC(=O)NCC[NH+]2CCCCC2C)c1
MR,Optimize the molecule CC[NH+](CC)C(C)CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O to have a lower MR value.,CC[NH+](CC)C(C)CS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
QED,Modify the molecule CN(CF)CCC(O)CCCO to have a higher QED value.,CN(C)CCC(O)CCCO
AtomNum,"There is a molecule with 21 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCOC(=O)C=Cc1ccc(-c2nc3ccccc3n2C(=O)OCC)cc1
BondNum,"There is a molecule with 16 single bonds, 1 double bond, and 5 rotatable bonds.",C[NH2+]C1CC(C[NH2+]CC2C=CC([NH3+])CO2)C1
FunctionalGroup,There is a molecule consisting of and 1 amine group.,CCCn1nc(C)cc1CNc1cn(CC)nc1C
AddComponent,Add a hydroxyl to the molecule COc1cccc(C[NH2+]Cc2c(C(=O)[O-])c(C)n(Cc3ccccc3Cl)c2C)c1OC.,COc1cc(O)cc(C[NH2+]Cc2c(C(=O)[O-])c(C)n(Cc3ccccc3Cl)c2C)c1OC
SubComponent,Substitute a nitrile in the molecule CCC(C#N)S(=O)(=O)NC1CCCNC1=O with a thiol.,CCC(S)S(=O)(=O)NC1CCCNC1=O
DelComponent,Please remove a hydroxyl from the molecule CCCCOc1cc2nn(-c3cccc(O)c3)nc2cc1C.,CCCCOc1cc2nn(-c3ccccc3)nc2cc1C
LogP,Modify the molecule Cn1nc2nnsc2c1Br to have a lower LogP value.,CC(=O)c1c2snnc2nn1C
MR,Modify the molecule Nn1cc(-c2c[nH+]c3c(Nc4ccc(-n5ccnc5)cc4)nc(C4=CC[NH2+]CC4)cn23)cn1 to decrease its MR value.,Nn1cc(-c2c[nH+]c3c(Nn4ccnc4)nc(C4=CC[NH2+]CC4)cn23)cn1
QED,Modify the molecule Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Nc1nccc(-c2cccnc2)n1 to increase its QED value.,Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1-c1nccc(-c2cccnc2)n1
AtomNum,"The molecule consists of 15 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CCc1cc(C(=O)NCCCOCC2CC2)cc(NN)n1
BondNum,"There is a molecule consisting of 11 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",O=C(NCc1cnc[nH]1)NC1CCCCC1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, 3 amine groups, 3 halo groups, and 1 sulfone group.",Cc1ccc(Nc2ncc(F)c(Nc3ccc(Cl)c(Cl)c3)n2)cc1S(N)(=O)=O
AddComponent,Modify the molecule c1ccc(-c2ccc(-c3ccc4c(ccc5c6cc7c(cc6ccc45)Cc4ccccc4-7)c3)cc2)cc1 by adding a benzene ring.,c1ccc(-c2cccc(-c3ccc(-c4ccc5c(ccc6c7cc8c(cc7ccc56)Cc5ccccc5-8)c4)cc3)c2)cc1
SubComponent,Modify the molecule FC(CC(F)c1ccccc1)Sc1ccccc1 by substituting a halo with a carboxyl.,O=C([OH])C(CC(F)c1ccccc1)Sc1ccccc1
DelComponent,Remove a halo from the molecule CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1.,CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1
LogP,Modify the molecule O=C(NCC1(C[NH+]2CCOCC2)CCC(S(=O)(=O)CC2CC2)CC1)c1ccc(Cl)cc1Cl to have a lower LogP value.,O=C(NCC1(C[NH+]2CCOCC2)CCC(S(=O)(=O)CC2CC2)CC1)c1ccc(S)cc1Cl
MR,Please modify the molecule CCc1nc(Br)cc(-c2cccc3ccsc23)n1 to decrease its MR value.,CCc1nccc(-c2cccc3ccsc23)n1
QED,Modify the molecule Cc1ccc(-c2cc(NCCc3cccc4c(C(=O)NCC(F)F)ccnc34)ncn2)cn1 to decrease its QED value.,Cc1ccc(-c2cc(NCCc3cccc4c(C(=O)NCC(F)NO)ccnc34)ncn2)cn1
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",c1cc2oc3ccc(OCC[NH+]4CCC4)cc3c2cc1OCC[NH+]1CCC1
BondNum,"There is a molecule consisting of 6 single bonds, 2 double bonds, 1 triple bond, 4 rotatable bonds, and 12 aromatic bonds.",N#Cc1ccc(CS(=O)(=O)Nc2ccccc2N)cc1
FunctionalGroup,Please generate a molecule consisting and 1 aldehyde group.,COc1c[nH]c2c1cc(C=O)n2C
AddComponent,Add a hydroxyl to the molecule CN(Cc1ccccc1Br)C(=O)Nc1nc2ccccc2s1.,CN(Cc1ccccc1Br)C(=O)Nc1nc2ccc(O)cc2s1
SubComponent,Substitute a CCC1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 in the molecule halo with a nitro.,CCC1CCN(S(=O)(=O)c2cnc(NO)c(Cl)c2)C1
DelComponent,Please remove a halo from the molecule O=C(CC1CCCC1)N1CCOCC(F)(F)C1.,O=C(CC1CCCC1)N1CCOCC(F)C1
LogP,Please optimize the molecule CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21 to have a lower LogP value.,CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc([Si](c3ccccc3)c3ccccc3)cc21
MR,Please optimize the molecule CC(=O)N1CCC(Nc2cncc(C(=O)NCC(O)C[NH+]3CCc4ccccc4C3)c2)CC1 to have a lower MR value.,CC(=O)N1CCC(c2cncc(C(=O)NCC(O)C[NH+]3CCc4ccccc4C3)c2)CC1
QED,Please modify the molecule Cc1cc(C)cc(NC(=O)C(Sc2nnc(N3CCOCC3)n2C)c2ccccc2)c1 to increase its QED value.,CCNC(=O)C(Sc1nnc(N2CCOCC2)n1C)c1ccccc1
AtomNum,"The molecule contains 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CC(Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(c1cccs1)[NH+](C)C
BondNum,"The molecule is composed of 10 single bonds, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",CC#CCC(Cc1c(Cl)cccc1Cl)[NH2+]CC
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amide groups.",O=C(CC1CCN(C(=O)C(c2ccccc2)C2CCCC2)CC1)Nc1ccc2nccnc2c1
AddComponent,Add a hydroxyl to the molecule CCOCCS(=O)(=O)c1ccc(N)cc1Br.,Nc1ccc(S(=O)(=O)CCOCCO)c(Br)c1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)(CCCOCCOCCOCCOc1cc(C(=O)[O-])cc(OCCOCCOCCOCCCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)c1OCCOCCOCCOCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[Si](O)(c1ccccc1)c1ccccc1 with a nitro.,CC(C)(CCCOCCOCCOCCOc1cc(C(=O)[O-])cc(OCCOCCOCCOCCCC(C)(C)[Si](NO)(c2ccccc2)c2ccccc2)c1OCCOCCOCCOCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[Si](O)(c1ccccc1)c1ccccc1
DelComponent,Please remove a CCCn1c(=O)[nH]c(=O)c2cc(-c3ccccc3)[nH]c21 from the molecule benzene ring.,CCCn1c(=O)[nH]c(=O)c2cc[nH]c21
LogP,Modify the molecule COc1c(C2(C(=O)[O-])CC2)cc2c(c1Cl)OCCO2 to have a lower LogP value.,COc1c(C2(C(=O)[O-])CC2)cc2c(c1NO)OCCO2
MR,Modify the molecule CC[NH2+]C1(C(N)=O)CCCC([NH+]2CCC([NH+](C)C)CC2)C1 to increase its MR value.,C[NH+](C)C1CC[NH+](C2CCCC([NH2+]CCO)(C(N)=O)C2)CC1
QED,Modify the molecule CN(c1nc(-c2ccncc2F)cc(=O)n1C)C1C2CN(C(=O)CC(C)(C)C)CC21 to have a higher QED value.,CN(c1nc(-c2ccncc2F)cc(=O)n1C)C1C2CC(C(C)(C)C)C21
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC(C)CC(C[NH3+])C(=O)N1CCOCC1C(N)=O
BondNum,"There is a molecule consisting of 12 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",C[NH2+]CCCN(C)C(=O)c1cc(OC)ccc1OC
FunctionalGroup,"The molecule has 1 benzene ring group, 3 amine groups, 1 halo group, 1 thioether group, and 1 sulfide group.",CSc1nc(NN)cc(NC(C)c2ccc(Cl)cc2)n1
AddComponent,Please add a benzene ring to the molecule CC(C)(C)C1=NN(c2ccccc2)C(=O)C1(C)Br.,CC(C)(Cc1ccccc1)C1=NN(c2ccccc2)C(=O)C1(C)Br
SubComponent,Modify the molecule thiol by substituting a COCCOCC1CCC(COCCOC)[NH+]1CCS with a hydroxyl.,COCCOCC1CCC(COCCOC)[NH+]1CCO
DelComponent,Modify the molecule C=C(CO)CCC(C)NS(=O)(=O)c1ccc(C)cc1 by removing a benzene ring.,C=C(CO)CCC(C)NS(C)(=O)=O
LogP,Modify the molecule CCC(CCO)Nc1ccc2nnc(C(C)(C)C)n2n1 to increase its LogP value.,CC(=O)CCC(CC)Nc1ccc2nnc(C(C)(C)C)n2n1
MR,Modify the molecule CC(Cc1ccc(N)cc1)c1cn(Cc2ccccc2)nn1 to decrease its MR value.,CC(Cc1ccccc1)c1cn(Cc2ccccc2)nn1
QED,Please modify the molecule Cc1c(F)ccc(N(F)F)c1F to increase its QED value.,Cc1c(F)c(O)cc(N(F)F)c1F
AtomNum,"Please generate a molecule consisting 20 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",CCOC(C)COc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1
BondNum,"The molecule has 11 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,Cn1cnn(CCC(=O)NC2CC3CC2C2CCCC32)c1=O
AddComponent,Modify the molecule CCOc1ccccc1-c1noc(COC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)n1 by adding a hydroxyl.,CC(O)Oc1ccccc1-c1noc(COC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)n1
SubComponent,Please substitute a Cn1c(=O)c2c(ncn2C2CN(C(=O)C([NH3+])Cc3c[nH]c4ccccc34)CC(O)CC2(C)O)n(C)c1=O in the molecule hydroxyl with a aldehyde.,CC(=O)C1CN(C(=O)C([NH3+])Cc2c[nH]c3ccccc23)CC(n2cnc3c2c(=O)n(C)c(=O)n3C)C(C)(O)C1
DelComponent,Please remove a CC1CCc2sc(-c3nnc(SCC(=O)NC4CCCCC4C)o3)cc2C1 from the molecule amide.,CC1CCc2sc(-c3nnc(SC4CCCCC4C)o3)cc2C1
LogP,Please modify the molecule CC1(C)OCC2(CC(O[Si](C)(C)C(C)(C)C)C(O)CO2)O1 to increase its LogP value.,CC1(C)OCC2(CC(O[Si](C)(C)C(C)(C)C)CCO2)O1
MR,Modify the molecule CC(=O)N(C(=S)Nc1c(F)cccc1F)c1ccc(N)cc1 to have a lower MR value.,CC(=O)N(C(=S)Nc1c(F)cccc1F)c1ccccc1
QED,Please modify the molecule CC(c1ccc(Cl)cc1)N(C)c1nc(F)c(F)cc1F to decrease its QED value.,CC(Cl)N(C)c1nc(F)c(F)cc1F
AtomNum,"The molecule consists of 19 carbon atoms, 3 oxygen atoms, and 4 nitrogen atoms.",O=C([O-])Nc1ccc(C(=O)C=Cc2cccc(N3CC[NH2+]CC3)n2)cc1
BondNum,"Please generate a molecule consisting 8 single bonds, 2 double bonds, 1 triple bond, 4 rotatable bonds, and 9 aromatic bonds.",CCC(C#N)S(=O)(=O)Nc1nc2ncnc-2c(Cl)[nH]1
FunctionalGroup,"Please generate a molecule consisting 1 amine group, 1 halo group, and 1 sulfone group.",CC(Cl)C(C)(C)NS(=O)(=O)CCc1ccccn1
AddComponent,Add a benzene ring to the molecule Cc1ccc(CNC(=O)C2CCCN(c3nnc(-n4cccc4)s3)C2)cc1.,Cc1ccc(CNC(=O)C2CCCN(c3nnc(-n4cccc4-c4ccccc4)s3)C2)cc1
SubComponent,Please substitute a halo in the molecule COc1ccc2c(C[NH+]3CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)cc(=O)oc2c1 with a nitrile.,COc1ccc2c(C[NH+]3CCN(Cc4ccc(OC(F)(F)C#N)cc4)CC3)cc(=O)oc2c1
DelComponent,Please remove a amine from the molecule CCCCCCC(C)Nc1cc([N+](=O)[O-])c(C)cc1C.,CCCCCCC(C)c1cc([N+](=O)[O-])c(C)cc1C
LogP,Please modify the molecule O=C(c1cccnc1)N(c1cccc(F)c1)C1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1 to decrease its LogP value.,O=C(c1cccnc1)N(F)C1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1
MR,Please optimize the molecule C=CCNC(=O)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 to have a higher MR value.,C=CCNC(=O)c1nn(COc2ccc([N+](=O)[O-])cc2Cl)cc1CC=O
QED,Modify the molecule COC(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccccc2)c1 to have a lower QED value.,COC(=O)c1ccc(N2CCOCC2)c(-c2ccccc2)c1
AtomNum,"Please generate a molecule with 17 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",OCc1ccccc1-c1cn2nc(NC3CCC(O)CC3)sc2[nH+]1
BondNum,"Please generate a molecule with 11 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Cc1sc(N)c(C(=O)OCC(C)C)c1-c1ccc(Cl)cc1Cl
FunctionalGroup,"There is a molecule composed of 3 benzene ring groups, 1 amide group, and 1 halo group.",O=C(NC1CCN(C(=O)Nc2ccc(F)cc2)CC1)C(c1ccccc1)c1ccccc1
AddComponent,Add a benzene ring to the molecule Cc1noc(C)c1S(=O)(=O)Nc1ccc(NCCc2ccc(F)cc2)nn1.,Cc1onc(Cc2ccccc2)c1S(=O)(=O)Nc1ccc(NCCc2ccc(F)cc2)nn1
SubComponent,Modify the molecule COc1cccc(C(C)CC(=O)Nc2sc3c(c2C#N)CCC(COC(=O)NCc2cc(C)nn2C)C3)c1 by substituting a nitrile with a thiol.,COc1cccc(C(C)CC(=O)Nc2sc3c(c2S)CCC(COC(=O)NCc2cc(C)nn2C)C3)c1
DelComponent,Please remove a amide from the molecule O=C(CCCc1c[nH]c2ccccc12)NCCCc1nnc2ccccn12.,c1ccc2c(CCCCCc3nnc4ccccn34)c[nH]c2c1
LogP,Modify the molecule CC(OC(=O)C(C)(C)C)C([NH3+])C(=O)C(C)(C)C to have a higher LogP value.,CC(OC(=O)C(C)(C)C)C([NH3+])C(=O)C(C)(C)Cc1ccccc1
MR,Optimize the molecule O=C(NC1(CCl)CCOCC1)c1ccc(Br)cn1 to have a higher MR value.,O=C([OH])CC1(NC(=O)c2ccc(Br)cn2)CCOCC1
QED,Optimize the molecule CC1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)C(C)C[NH2+]1 to have a lower QED value.,CC1CN(CS(=O)(=O)N(C)C)C(C)C[NH2+]1
AtomNum,"Please generate a molecule composed of 49 carbon atoms, 2 oxygen atoms, and 6 nitrogen atoms.",O=C(NC1CCc2ccccc21)c1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1
BondNum,"There is a molecule consisting of 8 single bonds, 4 rotatable bonds, and 10 aromatic bonds.",C[NH2+]C(c1csc(C)c1)c1snnc1C(C)C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",C#Cc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)cc1
AddComponent,Add a amine to the molecule CNC(=O)c1ccc(C2CCCC[NH+]2Cc2ccc(N3CCOCC3)cc2)n1C.,CNC(=O)c1ccc(C2CC(N)CC[NH+]2Cc2ccc(N3CCOCC3)cc2)n1C
SubComponent,Modify the molecule halo by substituting a COc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1 with a nitrile.,COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C#N)n2C)cc1
DelComponent,Remove a CC#CCCC(O)c1ccc(OC(C)C)cc1 from the molecule benzene ring.,CC#CCCC(O)OC(C)C
LogP,Modify the molecule CCC(C(=O)[O-])N1CCc2ccc(CO)cc21 to increase its LogP value.,CCC(C(=O)[O-])N1CCc2ccc(C)cc21
MR,Modify the molecule CN(C)N(C1CS(=O)(=O)CC1O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 to decrease its MR value.,CN(C)N(C1CS(=O)(=O)CC1O)S(=O)(=O)c1ccc(Cl)cc1
QED,Optimize the molecule CCCN(CCO)C1(CC(=O)[O-])C[NH2+]C1 to have a higher QED value.,CCCN(CC)C1(CC(=O)[O-])C[NH2+]C1
AtomNum,"There is a molecule composed of 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 fluorine atom.",COc1cc2[nH]c(C)c(C(C)[NH3+])c2cc1F
BondNum,"Please generate a molecule consisting 8 single bonds, 2 double bonds, and 4 rotatable bonds.",CCC(=CC=C(F)CF)CO
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 ester group, 1 amide group, and 1 halo group.",Cc1cc(C)n2nc(CC(=O)OCC(=O)Nc3ccc(F)cc3)nc2n1
AddComponent,Add a hydroxyl to the molecule COC(=O)C1CCN(C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)CC1.,COC(=O)C1CCN(C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)CO)CC1
SubComponent,Please substitute a Cc1cc(C)c(C2CC[NH2+]CC2)c(C)c1O in the molecule hydroxyl with a halo.,Cc1cc(C)c(C2CC[NH2+]CC2)c(C)c1Cl
DelComponent,Modify the molecule benzene ring by removing a CC1CCC(CC(C[NH3+])Cc2ccc(Cl)cc2)O1.,CC1CCC(CC(C[NH3+])CCl)O1
LogP,Modify the molecule COc1ccc(Cn2cc(I)c(C(C)C3CCN(C(C)=O)CC3)n2)cc1 to have a lower LogP value.,COc1ccc(Cn2cc(I)c(C(C)C3CCN(C(C)=O)CC3C(=O)O)n2)cc1
MR,Modify the molecule COc1cc2cc(CN(Cc3cccnc3)C(=S)NCC(C)C)c(=O)[nH]c2cc1OC to increase its MR value.,COc1cc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCC(C)C)c(C#N)c2cc1OC
QED,Optimize the molecule CCCn1nnc(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 to have a lower QED value.,CCCn1nnc(NC(=S)NC(=O)CO[N+](=O)[O-])n1
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",O=NC(=O)C(Cc1ccccc1)N1Cc2ccccc2C1=O
BondNum,"There is a molecule composed of 17 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)c1ccc(Cl)c(S(=O)(=O)NC2CCOC3(CCC3)C2)c1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 4 amide groups, and 2 halo groups.",CC(C(=O)Nc1ccc(Cl)c(C(=O)N2CCOCC2)c1)[NH+]1CCC(C(=O)NCC(=O)Nc2cccc(Br)c2)CC1
AddComponent,Add a amine to the molecule O=C(OCc1cc(Cl)cc(Br)c1)N1CC[NH+](C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)CC1.,NC1CN(C(=O)OCc2cc(Cl)cc(Br)c2)CC[NH+]1C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1
SubComponent,Substitute a hydroxyl in the molecule CC1CN(S(C)(=O)=O)CC[NH+]1Cc1cc2c(=O)n(C)cc(-c3ccncc3OCCO)c2o1 with a aldehyde.,CC(=O)CCOc1cnccc1-c1cn(C)c(=O)c2cc(C[NH+]3CCN(S(C)(=O)=O)CC3C)oc12
DelComponent,Remove a amide from the molecule CC[NH+](CC)CCOc1cc(NC(=O)C2CCC[NH2+]C2)ccc1OC.,CC[NH+](CC)CCOc1cc(C2CCC[NH2+]2)ccc1OC
LogP,Optimize the molecule CCC=CC(=O)OC1OC(C(=O)OC)C(O)C(O)C1O to have a higher LogP value.,CCC=CC(=O)OC1OC(C(=O)OC)C(C(=O)[OH])C(O)C1O
MR,Please optimize the molecule CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(=O)cc([O-])c-4c3O)C(OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O to have a higher MR value.,CC1OC(OCC2OC(Oc3c(-c4ccc(S)cc4)oc4cc(=O)cc([O-])c-4c3O)C(OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O
QED,Please optimize the molecule CCOC(=O)c1c(C#N)cc(Br)cc1OC(F)(F)F to have a lower QED value.,CCOC(=O)c1c(C#N)cc(NO)cc1OC(F)(F)F
AtomNum,"There is a molecule composed of 12 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COCCn1c(C(C)C)cc(C(=O)[O-])c1C
BondNum,"The molecule is composed of 24 single bonds, 6 double bonds, 12 rotatable bonds, and 18 aromatic bonds.",CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1OCc1ccc([N+](=O)[O-])cc1
FunctionalGroup,"Please generate a molecule composed of 1 amide group, 1 nitrile group, and 2 sulfide groups.",N#Cc1csc(C[NH+]2CCCN(C(=O)c3cccs3)CC2)c1
AddComponent,Modify the molecule CC1(c2nnc(C3CCC[NH2+]3)o2)CCCCO1 by adding a aldehyde.,CC1(c2nnc(C3[NH2+]CCC3CC=O)o2)CCCCO1
SubComponent,Substitute a hydroxyl in the molecule O=C(CN1C(=O)c2ccccc2C1=O)NC(Cc1cccc(C(=O)[O-])c1O)B(O)O with a aldehyde.,CC(=O)c1c(CC(NC(=O)CN2C(=O)c3ccccc3C2=O)B(O)O)cccc1C(=O)[O-]
DelComponent,Remove a amine from the molecule CC1CN(c2cc(Cc3cc(OC4(C)CC4)ccc3N)ncn2)CCN1CCC(F)(F)F.,CC1CN(c2cc(Cc3cccc(OC4(C)CC4)c3)ncn2)CCN1CCC(F)(F)F
LogP,Please optimize the molecule COc1ccccc1C1CC(c2c([O-])n(-c3ccc(Cl)cc3)c(=O)[nH]c2=O)=NN1 to have a lower LogP value.,CC(=O)c1ccc(-n2c([O-])c(C3=NNC(c4ccccc4OC)C3)c(=O)[nH]c2=O)cc1
MR,Please optimize the molecule COc1ccc(C)cc1NC(=O)c1cc(Nc2ccc(C(C)=O)cc2)ccn1 to have a higher MR value.,COc1ccc(C)cc1NC(=O)c1cc(Nc2ccc(C(C)=O)cc2O)ccn1
QED,Optimize the molecule COc1ccc(Cl)c2c1c(C)cn2CCC(=O)[O-] to have a lower QED value.,COc1cccc2c1c(C)cn2CCC(=O)[O-]
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",O=C(CCC1CC[NH2+]C1)Nc1cnn(CC[NH+]2CCOCC2)c1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C)c(OCCNC(=O)COc2cc(C)c(Br)c(C)c2)c1
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 2 amide groups.",Cc1cc(C)cc(OCC(=O)NNC(=O)C(C)Oc2c(C)cccc2C)c1
AddComponent,Modify the molecule O=S(=O)(CC1CCCCC1(F)F)NCC1(CO)CC2(CCC2)C1 by adding a aldehyde.,O=CCC(O)C1(CNS(=O)(=O)CC2CCCCC2(F)F)CC2(CCC2)C1
SubComponent,Modify the molecule hydroxyl by substituting a CCC1CCC([NH+](C)C(CC)C(O)c2ccccc2)CC1 with a nitrile.,CCC1CCC([NH+](C)C(CC)C(C#N)c2ccccc2)CC1
DelComponent,Please remove a benzene ring from the molecule CC(C)(C)[Si](C)(C)Oc1ccc(C=CC(=O)Sc2ccccc2)cc1.,CC(C)(C)[Si](C)(C)OC=CC(=O)Sc1ccccc1
LogP,Modify the molecule CN(C)c1ccc(CNS(=O)(=O)c2ccc(Nc3ccc(-c4ccc5c(O)[nH]cc5c4)n4ccnc34)cc2)cc1 to have a higher LogP value.,CN(C)c1ccc(CNS(=O)(=O)c2ccc(Nc3ccc(-c4ccc5c(C#N)[nH]cc5c4)n4ccnc34)cc2)cc1
MR,Optimize the molecule Cc1cc(S(=O)(=O)N2CC[NH+](C(C)C(N)=O)CC2)c(C)s1 to have a lower MR value.,Cc1cc(S(=O)(=O)N2CC[NH+](C)CC2)c(C)s1
QED,Modify the molecule CS(=O)(=O)OCCOc1cccc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1 to have a higher QED value.,CS(=O)(=O)OCCOc1cccc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2ccccc2)c1
AtomNum,"The molecule consists of 9 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC(=O)Oc1ccc(C=NO)cc1
BondNum,"Please generate a molecule consisting 26 single bonds, 2 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",Cn1ncc(N2CCC(C(=O)NCCC[NH+]3CCC([NH+]4CCCCC4)CC3)C2)cc1=O
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 halo group.",COCC[NH+]1COc2ccc3c(=O)c(-c4ccc(F)cc4)c(C)oc3c2C1
AddComponent,Modify the molecule ClCCc1cnn(-c2ccccc2)c1 by adding a aldehyde.,O=CCc1c(CCCl)cnn1-c1ccccc1
SubComponent,Please substitute a CC(=O)Nc1cccc(NC(=O)C(C)[NH+]2CCN(c3ccsc3C#N)CC2)c1 in the molecule nitrile with a halo.,CC(=O)Nc1cccc(NC(=O)C(C)[NH+]2CCN(c3ccsc3I)CC2)c1
DelComponent,Please remove a Cc1cccc(Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)n1 from the molecule benzene ring.,Cc1cccc(Cn2ccc(-c3cccnc3)n2)n1
LogP,Optimize the molecule CCC(C)NC(=O)c1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC)c3)CC2)ccc1Cl to have a lower LogP value.,CCC(C)NC(=O)c1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C(=O)O)C(=O)Nc3ccc(Cl)c(C(=O)NC)c3)CC2)ccc1Cl
MR,Modify the molecule CCn1ccc(C(=O)N2CCC(Cc3ccc(C(=O)N4CCCC4)cc3)CC2)n1 to decrease its MR value.,CCn1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)n1
QED,Please optimize the molecule Cc1ccnc(SCC(=O)Nc2cc(Br)ccc2Br)n1 to have a lower QED value.,O=C(CSc1nccc(CO)n1)Nc1cc(Br)ccc1Br
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",Cc1cc(C)c(-n2[nH]c(-c3ccccc3)cc2=S)c(C)c1
BondNum,"The molecule contains 9 single bonds, 1 double bond, 5 rotatable bonds, and 11 aromatic bonds.",CCc1nnc(NC(=O)COc2ccc(C)cc2C)s1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 halo group, and 1 sulfide group.",COc1ccc(OCC[NH+]2CCN(c3nsc4ccccc34)CC2)c(Cl)c1
AddComponent,Please add a benzene ring to the molecule CNC(=O)c1nn(-c2ccccc2)c(NC(=O)Oc2ccccc2)c1C.,CNC(=O)c1nn(-c2ccccc2)c(NC(=O)Oc2cccc(-c3ccccc3)c2)c1C
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)C(CCO)NC(=O)c1cccc(N)c1O with a carboxyl.,CC(C)C(CCC(=O)[OH])NC(=O)c1cccc(N)c1O
DelComponent,Please remove a COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCOCC4)c3n2)cc1 from the molecule benzene ring.,COc1cc(C(F)(F)F)n2ncc(C(=O)N3CCOCC3)c2n1
LogP,Please modify the molecule Clc1ccc2c(NCCCC[NH2+]C3CC[NH+](CC4=CCC=C4)CC3)cc[nH+]c2c1 to increase its LogP value.,Clc1ccc2c(CCCC[NH2+]C3CC[NH+](CC4=CCC=C4)CC3)cc[nH+]c2c1
MR,Please optimize the molecule CC1COC(C2CCC(c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(OC=C(F)F)c(F)c5)c(F)c4)cc3)CC2)OC1 to have a higher MR value.,CC1COC(C2CCC(c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(OC=C(F)F)c(F)c5)c(F)c4)cc3)CC2)OC1CC=O
QED,Modify the molecule Cc1cc(Cl)c(Cl)cc1SC(F)(F)F to decrease its QED value.,Cc1cc(S)c(Cl)cc1SC(F)(F)F
AtomNum,"There is a molecule with 20 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",Cc1cc(C)c(NC2CC(=O)N(c3ccccc3C)C2=O)c(C)c1
BondNum,"The molecule has 17 single bonds, 2 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",O=C(NCc1cccc(F)c1)C1CCCN1c1nnc(N2CCCC2=O)s1
FunctionalGroup,"The molecule consists of 2 hydroxyl groups, 1 ketone group, and 2 halo groups.",COC1C2(O)C=C(Cl)C(=O)C1(Cl)C(O)C(NC(=O)OC(C)(C)C)C2
AddComponent,Please add a amine to the molecule CC(CCO)SCC([NH3+])c1ccc2c(c1)OCCCO2.,CC(CCO)SCC([NH3+])c1ccc2c(c1)OCCC(N)O2
SubComponent,Modify the molecule halo by substituting a CC(C)[NH+]1CCC(N(CC[NH+](C)C)C(=S)Nc2ccccc2F)CC1 with a nitro.,CC(C)[NH+]1CCC(N(CC[NH+](C)C)C(=S)Nc2ccccc2NO)CC1
DelComponent,Modify the molecule C[NH+](CC1CCCC1O)C1CCN(c2ccccc2Cl)C1=O by removing a benzene ring.,C[NH+](CC1CCCC1O)C1CCN(Cl)C1=O
LogP,Please optimize the molecule Cc1ccc(OCc2c(C(=O)Nc3ncn(Cc4ccc(F)cc4Cl)n3)noc2C)cc1 to have a lower LogP value.,Cc1ccc(OCc2c(C(=O)Nc3ncn(Cc4ccc(C(=O)[OH])cc4Cl)n3)noc2C)cc1
MR,Modify the molecule CCSCC(C(N)=O)N(C)C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C to decrease its MR value.,CCSCC(C(N)=O)N(C)C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
QED,Modify the molecule C[NH+](C)Cc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2F)c1 to decrease its QED value.,C[NH+](C)Cc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2S)c1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 chlorine atom.",O=S(=O)(c1ccc(CCCCl)cc1)N1CCCCCC1
BondNum,"There is a molecule consisting of 9 single bonds, 1 double bond, 3 rotatable bonds, and 17 aromatic bonds.",Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnn1-c1ccccn1
FunctionalGroup,"There is a molecule with 4 benzene ring groups, 5 amide groups, and 1 halo group.",Cc1ccc(C(=O)Nc2ccc(NC(=O)C(C)NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)Nc5ccccc5)c4C)CC3)cc2Cl)cc1
AddComponent,Please add a aldehyde to the molecule CSCCC(NC(=O)CNC(=O)C1CCCN1C(=O)C1CCC[NH2+]1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)[O-].,CSCCC(NC(=O)C(CC=O)NC(=O)C1CCCN1C(=O)C1CCC[NH2+]1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)[O-]
SubComponent,Substitute a halo in the molecule O=C([O-])c1c(OC(F)(F)F)ncc(CF)c1I with a carboxyl.,O=C([O-])c1c(OC(F)(F)C(=O)[OH])ncc(CF)c1I
DelComponent,Modify the molecule benzene ring by removing a CCOc1ccc(-c2nsc(NC(=O)C3CC3C)c2C)cc1.,CCOc1nsc(NC(=O)C2CC2C)c1C
LogP,Optimize the molecule O=C(C1C[NH2+]CC1CO)N1CCC1 to have a higher LogP value.,OCC1C[NH2+]C2CCC12
MR,Modify the molecule Cc1nnc(N2CCN(C(=O)C(c3ccc(F)cc3)C3CC3)CC2)o1 to increase its MR value.,Cc1nnc(N2CCN(C(=O)C(c3ccc(F)cc3)C3CC3)C(c3ccccc3)C2)o1
QED,Modify the molecule C[Si]1(C)c2cc(C=C(C#N)C#N)sc2-c2sc(-c3ccc(N(c4ccc(C(=O)[O-])cc4)c4ccc(C(=O)[O-])cc4)cc3)cc21 to increase its QED value.,C[Si]1(C)c2cc(C=CC#N)sc2-c2sc(-c3ccc(N(c4ccc(C(=O)[O-])cc4)c4ccc(C(=O)[O-])cc4)cc3)cc21
AtomNum,"There is a molecule with 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1cc(C)nc(SCc2cc(F)cc(C(=O)[O-])c2)n1
BondNum,"The molecule is composed of 56 single bonds, 2 double bonds, 13 rotatable bonds, and 6 aromatic bonds.",CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC([NH+](C)C)C2OCCCc2ccccc2)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
FunctionalGroup,"The molecule consists of 2 benzene ring groups, and 1 halo group.",COc1ccc(CC[NH3+])cc1OCc1cccc(Br)c1
AddComponent,Add a hydroxyl to the molecule CCNC(NC1CC1c1ccccc1F)=[NH+]CCCOCC1CC1.,CCNC(NC1CC1c1ccccc1F)=[NH+]CCCOCC1CC1O
SubComponent,Substitute a halo in the molecule C[NH+](C)Cc1ccc(C(=O)c2ccc(F)cc2)cc1 with a thiol.,C[NH+](C)Cc1ccc(C(=O)c2ccc(S)cc2)cc1
DelComponent,Remove a benzene ring from the molecule CCOC(Cc1ccc(OCC[NH+](C)C2c3ccc(C)cc3CCc3ccc(CCc4ccccc4)cc32)cc1)C(=O)[O-].,CCOC(Cc1ccc(OCC[NH+](C)C2c3ccc(C)cc3CCc3ccc(CC)cc32)cc1)C(=O)[O-]
LogP,Optimize the molecule CC1(C)OCCC1CNC(=O)NCc1ncn(Cc2cccc(F)c2)n1 to have a lower LogP value.,CC1(C)OCCC1CNC(=O)NCc1ncn(Cc2cccc(O)c2)n1
MR,Please modify the molecule COC1CC([NH2+]CC(=O)Nc2cc(Cl)ccc2C)C1 to increase its MR value.,CC(=O)c1ccc(C)c(NC(=O)C[NH2+]C2CC(OC)C2)c1
QED,Please modify the molecule C[NH+]=C(NCCC(=O)OC)NCc1ccc(COCC(F)(F)F)cc1 to decrease its QED value.,C[NH+]=C(NCCOCC(F)(F)F)NCCC(=O)OC
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",COc1ccccc1N1CCC(CNC(=O)C([NH3+])C(C)C)C1
BondNum,"Please generate a molecule consisting 15 single bonds, 5 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 amide group.",Cn1ccnc1-c1ccccc1C(=O)N1CCCC(c2nc3ccccc3o2)C1
AddComponent,Please add a benzene ring to the molecule CN(C)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1.,CN(C)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1-c1ccccc1
SubComponent,Please substitute a halo in the molecule CCOC(=O)c1sc(NC(=O)c2ccnn2COc2ccc(Cl)cc2)c(C(=O)OC)c1C with a carboxyl.,CCOC(=O)c1sc(NC(=O)c2ccnn2COc2ccc(C(=O)[OH])cc2)c(C(=O)OC)c1C
DelComponent,Modify the molecule O=C(NCc1c[nH]c2ncc(Cl)cc12)c1cn(Cc2ccc(N3CCCC3)nc2)nc1C(F)(F)F by removing a halo.,O=C(NCc1c[nH]c2ncccc12)c1cn(Cc2ccc(N3CCCC3)nc2)nc1C(F)(F)F
LogP,Please optimize the molecule CC(=O)c1ccc(N2C3CCC2CC(NC(=O)c2cc(NC4CCC(C(F)(F)F)CC4)c(C(N)=O)cc2C)C3)nc1 to have a lower LogP value.,CC(=O)c1ccc(N2C3CCC2CC(NC(=O)c2cc(NC4CCC(C(O)(F)F)CC4)c(C(N)=O)cc2C)C3)nc1
MR,Please modify the molecule N#Cc1ccc(N(c2ccc(-c3cccnc3)cc2)c2ccc3c(c2)sc2cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc23)cc1 to decrease its MR value.,c1ccc(N(c2ccc(-c3cccnc3)cc2)c2ccc3c(c2)sc2cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc23)cc1
QED,Modify the molecule [NH3+]CCCN(CCCCN(CCCNC(=O)c1ccc(C(=O)NC2COCC2N[O-])c(=O)n1[O-])C(=O)c1cccc(=O)n1[O-])C(=O)c1cccc(=O)n1[O-] to increase its QED value.,[NH3+]CCCN(CCCCN(CCCNC(=O)c1ccc(C(=O)NC2COCC2[O-])c(=O)n1[O-])C(=O)c1cccc(=O)n1[O-])C(=O)c1cccc(=O)n1[O-]
AtomNum,"The molecule contains 15 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC1CCC(C[NH3+])(OC2CCOC3(CCSC3)C2)C1
BondNum,"There is a molecule consisting of 16 single bonds, 1 double bond, 8 rotatable bonds, and 6 aromatic bonds.",COCCOCC(=O)NCC1(c2ccc(F)cc2)CCCC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, and 1 sulfone group.",CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2ccc(-n3cccc3)cc2)cc1
AddComponent,Please add a amine to the molecule C[NH2+]C(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1.,C[NH2+]C(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)OC)C(C)(C)N)C(C)(C)C)C(C)(C)c1ccccc1
SubComponent,Modify the molecule halo by substituting a O=C(CC(F)(F)F)NCC1(CBr)CC1 with a aldehyde.,CC(=O)C(F)(F)CC(=O)NCC1(CBr)CC1
DelComponent,Modify the molecule halo by removing a COCCn1cc(NC(=O)c2cnn3ccc(N)nc23)c(-c2cc(Cl)ccc2C)n1.,COCCn1cc(NC(=O)c2cnn3ccc(N)nc23)c(-c2ccccc2C)n1
LogP,Please optimize the molecule CCOC(=O)CNc1nc(Oc2cccc(C3=[NH+]CCN3C)c2)nc(Oc2ccc(C#N)c(N(C)C)c2)c1[N+](=O)[O-] to have a lower LogP value.,CCOC(=O)CNc1nc(OC2=[NH+]CCN2C)nc(Oc2ccc(C#N)c(N(C)C)c2)c1[N+](=O)[O-]
MR,Please optimize the molecule Cc1oc(C[NH3+])nc1C1CCCCO1 to have a higher MR value.,Cc1oc(C[NH3+])nc1C1CCC(c2ccccc2)CO1
QED,Optimize the molecule CSc1ccccc1N1CC(=O)NC(C2CC2)C1=O to have a lower QED value.,CSN1CC(=O)NC(C2CC2)C1=O
AtomNum,"Please generate a molecule with 15 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",NS(=O)(=O)Cc1cccc(NC(=O)c2ccccc2OC(F)F)c1
BondNum,"The molecule is composed of 9 single bonds, 3 double bonds, 7 rotatable bonds, and 5 aromatic bonds.",CS(=O)(=O)CCC[NH2+]Cc1csc(C(=O)[O-])n1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, 1 amine group, and 1 halo group.",Nc1nc(N2CC=C(c3ccccc3)CC2)ncc1C(=O)NCc1ccccc1F
AddComponent,Add a benzene ring to the molecule O=C1SC(=Cc2cccs2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1.,O=C1SC(=Cc2cccs2)C(=O)N1Cc1nc(-c2ccc(F)cc2-c2ccccc2)no1
SubComponent,Modify the molecule halo by substituting a Cc1cccc(OCCNC(=O)NCc2ccccc2F)c1C with a aldehyde.,CC(=O)c1ccccc1CNC(=O)NCCOc1cccc(C)c1C
DelComponent,Please remove a amide from the molecule O=C(Nc1ccnc(N2CCOCC2)c1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12.,FC(F)(F)c1cccc(-c2ccc3ccc-c3(-c3ccnc(N4CCOCC4)c3)n2)c1
LogP,Modify the molecule C[NH+](Cc1cc(-c2ccc(F)cc2)cn2nnnc12)C1CCCCC1 to decrease its LogP value.,C[NH+](Cc1cc(-c2ccccc2)cn2nnnc12)C1CCCCC1
MR,Modify the molecule O=C(C=Cc1cccc(F)c1)Nc1nnc(-c2ccccc2)s1 to have a higher MR value.,O=C(C=Cc1ccccc1)Nc1nnc(-c2ccccc2)s1
QED,Please optimize the molecule CC(C)(C)c1cc(C(=O)NCCOCC(=O)[O-])cc(Cl)n1 to have a lower QED value.,CC(C)(C)c1cc(C(=O)NCCOCC(=O)[O-])cc(NO)n1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",COc1ccc(C(=O)NC2CCN(c3nccn3C)CC2)cc1F
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, 1 rotatable bond, and 6 aromatic bonds.",O=C1Nc2c(Cl)ccc(Cl)c2C1=CC1[CH][CH][CH][CH]1
FunctionalGroup,"Please generate a molecule with 1 ester group, 1 halo group, and 1 sulfide group.",CCOC(=O)COCC[NH2+]C(C)c1ccc(Cl)s1
AddComponent,Modify the molecule CCOCn1cc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)cn1 by adding a hydroxyl.,CCOCn1cc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2CO)cn1
SubComponent,Modify the molecule halo by substituting a Cc1nn(C)c(Cl)c1CC(=O)N(C)CC1(O)CCCC1 with a nitro.,Cc1nn(C)c(NO)c1CC(=O)N(C)CC1(O)CCCC1
DelComponent,Please remove a hydroxyl from the molecule Cc1ccccc1-c1ccnc(C(O)C[NH3+])n1.,Cc1ccccc1-c1ccnc(CC[NH3+])n1
LogP,Modify the molecule CCC[NH2+]C1CC2CCCC(C1)[NH+]2C1(C)CCC1 to decrease its LogP value.,CCC[NH2+]C1CC2CC(N)CC(C1)[NH+]2C1(C)CCC1
MR,Optimize the molecule Cn1c(C[NH3+])nnc1SCC(O)c1ccccc1 to have a lower MR value.,Cn1c(C[NH3+])nnc1SCCO
QED,Please optimize the molecule COC(=O)CCNC(=O)Cc1ccc(C(F)(F)F)cc1 to have a lower QED value.,COC(=O)CCNC(=O)CC(F)(F)F
AtomNum,"The molecule contains 20 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC(C)C[NH+]1CC(C[NH+]2CCN(C)CC2)CC(C(=O)N2CCCC2)C1
BondNum,"The molecule is composed of 10 single bonds, 1 rotatable bond, and 6 aromatic bonds.",Cc1ccc(F)c(C2(C)CCC[NH2+]2)c1F
FunctionalGroup,"The molecule contains 1 benzene ring group, and 1 sulfide group.",C[NH+]1CCOC2CN(C(=O)Nc3nc4c(s3)CC(c3ccccc3)CC4)CC21
AddComponent,Please add a carboxyl to the molecule Cc1ccc(C)c(Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)c1.,Cc1cc(C(=O)O)c(C)cc1Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O
SubComponent,Please substitute a halo in the molecule Cn1nccc1C1NC(=O)CCC1NC(=O)c1cc(Cl)c[nH]1 with a carboxyl.,Cn1nccc1C1NC(=O)CCC1NC(=O)c1cc(C(=O)[OH])c[nH]1
DelComponent,Modify the molecule Cc1cc(C)cc(OCC(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 by removing a amine.,Cc1cc(C)cc(OCC(=O)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
LogP,Modify the molecule COc1cc(N)c(Cl)cc1C(=O)NCC1CC[NH+](C(Oc2ccccc2)C(C)OC(N)=O)CC1 to increase its LogP value.,COc1cc(N)c(Cl)cc1C(=O)NCC1CC[NH+](C(Oc2ccccc2)C(C)(OC(N)=O)c2ccccc2)CC1
MR,Optimize the molecule CCNc1nc(COC(C)COCC)nc2sccc12 to have a lower MR value.,CCOCC(C)OCc1nc(CC)c2ccsc2n1
QED,Please modify the molecule O=C([O-])c1cccc(Cl)c1N1CCC1 to increase its QED value.,O=C([O-])c1cccc(C(=O)[OH])c1N1CCC1
AtomNum,"Please generate a molecule composed of 5 carbon atoms, 4 nitrogen atoms, and 2 chlorine atoms.",Clc1cc(Cl)n2nncc2n1
BondNum,"There is a molecule with 15 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",COC(=O)c1ccc(N)c(N2CCN3C(=O)NCC3C2)c1
FunctionalGroup,"There is a molecule composed of 1 ester group, and 1 amine group.",CCOC(=O)c1cccnc1NCCC[NH+](C)C(C)C
AddComponent,Please add a benzene ring to the molecule CC1C(=O)CCC(C(=O)Nc2cccc(C3CCC(=O)N3)c2)C1(C)C.,CC1C(=O)CCC(C(=O)Nc2cccc(C3CCC(=O)N3)c2)C1(C)Cc1ccccc1
SubComponent,Modify the molecule C=CC(=C)c1sc2c(S(=O)(=O)O)c(C)ccc2[n+]1C by substituting a hydroxyl with a aldehyde.,CC(=O)S(=O)(=O)c1c(C)ccc2c1sc(C(=C)C=C)[n+]2C
DelComponent,Remove a benzene ring from the molecule C=C1c2ccccc2-c2cc(C)c(-c3ccccc3)c[n+]2C1(CC)CC.,C=C1c2ccccc2-c2cc(C)cc[n+]2C1(CC)CC
LogP,Please optimize the molecule ClC1CCCCC1C[NH2+]Cc1ccncc1 to have a lower LogP value.,ONC1CCCCC1C[NH2+]Cc1ccncc1
MR,Please optimize the molecule Cc1cccc(OC(C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1C to have a higher MR value.,Cc1cccc(OC(C)C(=O)Nc2cccc(-c3ccccc3)c2C(=O)NCCc2ccccc2)c1C
QED,Modify the molecule FC(F)(F)C1CCN(c2cc[nH+]c(CCl)c2)CC1 to decrease its QED value.,FC(F)(F)C1CCN(c2cc[nH+]c(CCl)c2)C(c2ccccc2)C1
AtomNum,"The molecule is composed of 30 carbon atoms, 2 oxygen atoms, 8 nitrogen atoms, and 1 fluorine atom.",C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4nc(C)n(C5CC5)c4c3)n2)c(OC)cc1N(C)CC[NH+](C)C
BondNum,"The molecule has 13 single bonds, 3 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",C=CCN(C1CC1)S(=O)(=O)c1ccc(C[NH2+]CC)c(Cl)c1
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 amine group.",CC(NC(=O)c1ccc(C(N)=S)cn1)c1ncn[nH]1
AddComponent,Please add a benzene ring to the molecule Cn1ccnc1C([NH3+])CC1(C)CCC1.,Cn1ccnc1C([NH3+])C(c1ccccc1)C1(C)CCC1
SubComponent,Substitute a halo in the molecule CCCC([NH3+])CC(=O)Nc1ncccc1Cl with a thiol.,CCCC([NH3+])CC(=O)Nc1ncccc1S
DelComponent,Modify the molecule hydroxyl by removing a CCCC1CC1[NH2+]CC(O)(CC)CC.,CCCC1CC1[NH2+]CC(CC)CC
LogP,Optimize the molecule CC1(C2CCCCC2)NC(=O)N(CC2(O)CCCC2)C1=O to have a higher LogP value.,CC1(C2CCCCC2)NC(=O)N(CC2(F)CCCC2)C1=O
MR,Please modify the molecule CCC[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2C)c(F)c1 to increase its MR value.,CCC[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2C)c(C(=O)[OH])c1
QED,Please modify the molecule Fc1ccc(C=[Ru](Cl)Cl)c(C=Nc2ccc(Cl)cc2)c1 to increase its QED value.,Fc1ccc(C=[Ru]Cl)c(C=Nc2ccc(Cl)cc2)c1
AtomNum,"The molecule is composed of 25 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1c(NC(=O)C2CC2)cccc1NC(=S)NC(=O)C(C)c1ccc(CC(C)C)cc1
BondNum,"Please generate a molecule with 11 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",[NH3+]CCc1cc(F)ccc1N1CCCc2ccccc2C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, 1 ketone group, and 1 amide group.",CCC(=O)c1ccc(OCC(O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1
AddComponent,Modify the molecule CC12CC=C3C(CCC45CC6(CCC34C5)OCCO6)C1CCC2(O)CC(F)=C(F)F by adding a carboxyl.,CC12CC=C3C(CCC45CC6(CCC34C5)OCCO6)C1CC(C(=O)O)C2(O)CC(F)=C(F)F
SubComponent,Please substitute a hydroxyl in the molecule CN(C(=O)c1ccccc1Cc1ccc(-c2ccccc2)cc1)C1[NH2+]CC(O)C1O with a carboxyl.,CN(C(=O)c1ccccc1Cc1ccc(-c2ccccc2)cc1)C1[NH2+]CC(C(=O)[OH])C1O
DelComponent,Please remove a Brc1ccc(-c2nnc(C[NH+]3CCC(C4OCCO4)CC3)o2)cc1 from the molecule benzene ring.,Brc1nnc(C[NH+]2CCC(C3OCCO3)CC2)o1
LogP,Modify the molecule COCc1cc(O)ccc1CCC(=O)OC(C)(C)C to have a lower LogP value.,COCc1cc(O)cc(N)c1CCC(=O)OC(C)(C)C
MR,Modify the molecule COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)COc1c(C)cc(Br)cc1Br to increase its MR value.,COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)C(Oc1c(C)cc(Br)cc1Br)C(=O)O
QED,Modify the molecule C[NH2+]C(CN1CCCCCC1)C(C)C to have a higher QED value.,C[NH2+]C(C(C)C)C(c1ccccc1)N1CCCCCC1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 4 oxygen atoms, and 4 nitrogen atoms.",O=C(C1CCCN1C(=O)Cc1ccccc1)N1CCOC(c2ncon2)C1
BondNum,"Please generate a molecule composed of 19 single bonds, 4 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)OC1CC2C(=[NH+]C3CCCC3)Nc3ccccc3C(=O)N2C1
FunctionalGroup,"Please generate a molecule with 1 amide group, and 1 amine group.",CCN(CC)C(=O)CNc1ncccc1OC(C)C
AddComponent,Modify the molecule CCCCOc1cccc(C(=O)N=c2sc3cc(OC)c(OC)cc3n2CCOC)c1 by adding a hydroxyl.,CCCCOc1ccc(O)c(C(=O)N=c2sc3cc(OC)c(OC)cc3n2CCOC)c1
SubComponent,Modify the molecule C=CC1C=C(c2ccc(CO)cc2)CC[NH+]1Cc1cccc(OC(F)(F)F)c1 by substituting a hydroxyl with a halo.,C=CC1C=C(c2ccc(CI)cc2)CC[NH+]1Cc1cccc(OC(F)(F)F)c1
DelComponent,Please remove a Cc1ccc(C(=O)Nc2cc(C=CC(=O)[O-])ccc2C)o1 from the molecule benzene ring.,CC(=CC(=O)[O-])NC(=O)c1ccc(C)o1
LogP,Modify the molecule CCNc1ccc(Cl)c(C(=O)N2CCCOC(C)C2)n1 to have a lower LogP value.,CCNc1ccc(Cl)c(C(=O)N2CC(O)COC(C)C2)n1
MR,Please modify the molecule Cc1sccc1C1(O)CCC(C)(C)CC1 to decrease its MR value.,Cc1sccc1C1CCC(C)(C)CC1
QED,Please modify the molecule COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccs2)C1c1cccc(Cl)c1Cl to increase its QED value.,COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccs2)C1c1cccc(C#N)c1Cl
AtomNum,"There is a molecule composed of 10 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 fluorine atom, and 1 iodine atom.",COC(=O)c1cc(I)c(C(C)F)cc1N
BondNum,"The molecule contains 14 single bonds, 1 double bond, 4 rotatable bonds, and 12 aromatic bonds.",Cc1nc(Nc2ccc(Cl)c(Cl)c2)cc(N2CCC(C(=O)[O-])CC2)n1
FunctionalGroup,Please generate a molecule with and 2 amide groups.,Cn1ccc2cccc(NC(=O)C(=O)N3CCCC(c4ncn[nH]4)C3)c21
AddComponent,Add a amine to the molecule C=CCC(C=O)(c1ccc(Br)cc1)C1CCCCC1.,C=CCC(C=O)(c1ccc(Br)cc1)C1(N)CCCCC1
SubComponent,Modify the molecule halo by substituting a O=C(NCC(=O)N1CCC2CCCCC2C1)Nc1ccc(F)cc1 with a nitrile.,N#Cc1ccc(NC(=O)NCC(=O)N2CCC3CCCCC3C2)cc1
DelComponent,Remove a CCc1cc2c(N3CCOCC3CO)nc(Cl)nc2s1 from the molecule hydroxyl.,CCc1cc2c(N3CCOCC3C)nc(Cl)nc2s1
LogP,Please modify the molecule COCCNC(=O)C1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 to decrease its LogP value.,COCCNC(=O)C1CCN(c2ncnc3cc(-c4ccc(C#N)cc4)sc23)CC1
MR,Please modify the molecule C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 to decrease its MR value.,C=CCNC(=O)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1
QED,Modify the molecule COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1 to decrease its QED value.,COc1ccc(NC(=O)CN(Cc2ccc(NO)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1
AtomNum,"Please generate a molecule composed of 18 carbon atoms, 3 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",CCC1C(=O)NCCN1C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
BondNum,"Please generate a molecule composed of 30 single bonds, 7 double bonds, 21 rotatable bonds, and 24 aromatic bonds.",CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(Cc1ccccc1)C(=O)[O-])C(=O)NC(C(=O)NCC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)[O-]
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ketone group, and 2 halo groups.",COc1ccc(-c2noc(CC(=O)C(F)F)n2)cc1C
AddComponent,Please add a benzene ring to the molecule CC([NH3+])c1ccc(SC2CCCCC2)cn1.,CC([NH3+])(c1ccccc1)c1ccc(SC2CCCCC2)cn1
SubComponent,Modify the molecule nitrile by substituting a CCOc1cc(C=C(C#N)C(=O)N2CCc3ccccc32)cc(Cl)c1OCc1ccc(C)cc1 with a nitro.,CCOc1cc(C=C(NO)C(=O)N2CCc3ccccc32)cc(Cl)c1OCc1ccc(C)cc1
DelComponent,Please remove a amide from the molecule CC[NH+](CCC[NH+](C)C)CC(=O)NC(C(C)=O)C(C)C.,CC[NH+](CCC[NH+](C)C)C(C(C)=O)C(C)C
LogP,Modify the molecule Cc1ccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)CC2)c(F)c1 to have a lower LogP value.,Cc1ccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(NO)c(C(=O)NC4CCCCC4)c3)CC2)c(F)c1
MR,Optimize the molecule O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1CC1CCC[NH+]1CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1 to have a lower MR value.,O=c1c2ccncc2c(Cc2ccccc2)nn1CC1CCC[NH+]1CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1
QED,Please modify the molecule COC1=CC2C3Cc4ccc(OC)c(OCc5cccc(C)c5)c4C2(CC[NH+]3C)CC1=O to decrease its QED value.,COC1=CC2C3Cc4ccc(OC)c(OCc5cccc(C)c5)c4C2(CC1=O)C(N)C[NH+]3C
AtomNum,"There is a molecule with 12 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CCCCC(=O)N1CCn2cccc2C1
BondNum,"Please generate a molecule consisting 20 single bonds, 1 double bond, 5 rotatable bonds, and 23 aromatic bonds.",Cc1nnc(NC(=O)Nc2ccc(-c3nc4c(c(N5CCOCC5C)n3)CCN(c3ncccn3)C4)cc2)o1
FunctionalGroup,"The molecule has 3 benzene ring groups, 2 amide groups, and 2 sulfide groups.",CCCCc1ccc(N2C(=O)C(Sc3ccc(C)cc3)=C(Sc3ccc(C)cc3)C2=O)cc1
AddComponent,Add a benzene ring to the molecule Cc1cc(Cc2ccccc2)c(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(N)=[NH2+])cc1.,Cc1cc(Cc2cccc(-c3ccccc3)c2)c(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(N)=[NH2+])cc1
SubComponent,Substitute a CC#CC(CC(=O)OCC)c1ccc(OCc2ccc3nc(-c4ccc(OCCC(C)(C)O)cc4)nn3c2)cc1 in the molecule hydroxyl with a thiol.,CC#CC(CC(=O)OCC)c1ccc(OCc2ccc3nc(-c4ccc(OCCC(C)(C)S)cc4)nn3c2)cc1
DelComponent,Remove a benzene ring from the molecule COc1ccccc1CN(C)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.,COCN(C)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
LogP,Optimize the molecule CC(=O)NCCC[NH+](CCC[NH3+])CCC[NH3+] to have a higher LogP value.,CCC[NH+](CCC[NH3+])CCC[NH3+]
MR,Optimize the molecule ICCOCCOCCOCCSc1ccsc1-c1sc(-c2sccc2SCCOCCOCCOCCI)c2c1OCCO2 to have a lower MR value.,CCOCCOCCOCCSc1ccsc1-c1sc(-c2sccc2SCCOCCOCCOCCI)c2c1OCCO2
QED,Please optimize the molecule CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3C(=O)OC)c(C)cc21 to have a higher QED value.,CCn1c(=O)oc2cc(S(=O)(=O)NC(=O)OC)c(C)cc21
AtomNum,"Please generate a molecule consisting 7 carbon atoms, 3 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",CNc1nc(-c2ccc(Cl)s2)ns1
BondNum,"There is a molecule consisting of 3 single bonds, 1 rotatable bond, and 16 aromatic bonds.",Clc1nccc(-n2cc(I)c3ccccc32)n1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 2 amide groups.",COc1ccc(C)cc1NC(=O)C1CCC(C(=O)NCC2CCCO2)CC1
AddComponent,Please add a amine to the molecule C[NH+]=C(NCC(C1CCOC1)[NH+]1CCOCC1)NC1CCN(c2ncccc2Cl)C1.,C[NH+]=C(NCC(C1CCOC1)[NH+]1CCOCC1)NC1(N)CCN(c2ncccc2Cl)C1
SubComponent,Please substitute a halo in the molecule CC(C)n1nccc1C1CN(C(=O)C2(F)CCC2)CC12CCCN(Cc1ccccc1)C2=O with a hydroxyl.,CC(C)n1nccc1C1CN(C(=O)C2(O)CCC2)CC12CCCN(Cc1ccccc1)C2=O
DelComponent,Please remove a amide from the molecule COc1ccc2sc(N3CC[NH+](CCNC(C)=O)CC3)nc2c1OC.,CC[NH+]1CCN(c2nc3c(OC)c(OC)ccc3s2)CC1
LogP,Modify the molecule CCNC(NCc1ncc(C(C)(C)C)o1)=[NH+]Cc1ccc(OCCC[NH+](C)C)cc1 to have a higher LogP value.,CCC(NCc1ncc(C(C)(C)C)o1)=[NH+]Cc1ccc(OCCC[NH+](C)C)cc1
MR,Modify the molecule Nc1cc(N)cc(C(=O)OCCCCOC(=O)C=Cc2ccc(OCC3CCC(C(F)(F)F)CC3)cc2)c1 to increase its MR value.,Nc1cc(N)cc(C(=O)OCCCCOC(=O)C=Cc2ccc(OCC3CCC(C(F)(F)NO)CC3)cc2)c1
QED,Modify the molecule O=C1CC2COCCN2C(=O)N1c1ccccc1F to increase its QED value.,Nc1cccc(F)c1N1C(=O)CC2COCCN2C1=O
AtomNum,"The molecule is composed of 15 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CCc1nc(=O)cc(NC2CC2c2ccccc2)[nH]1
BondNum,"Please generate a molecule composed of 13 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CCCNC(=O)C[NH+](C)C1CC([NH3+])c2ccccc21
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ketone group, 1 nitro group, and 2 halo groups.",CC(=O)C(C(=O)[O-])c1ccc(Cl)c(F)c1[N+](=O)[O-]
AddComponent,Please add a benzene ring to the molecule O=C1CSC(C(=O)NC2CCCCC2)C(c2cnn(C3CC3)c2)N1.,O=C1NC(c2cnn(C3CC3)c2)C(C(=O)NC2CCCCC2)SC1c1ccccc1
SubComponent,Please substitute a halo in the molecule CC([NH3+])C=Cc1ccc(OC(F)F)cc1 with a nitrile.,CC([NH3+])C=Cc1ccc(OC(F)C#N)cc1
DelComponent,Please remove a amide from the molecule COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.,COc1ccc(C(=O)COc2cc(Cl)ccc2Cl)cc1
LogP,Modify the molecule CCOC(=O)c1cc2cc(-c3cnc(Nc4ccc(F)c(Cl)c4)nc3NCCCOC)ccc2n1C to decrease its LogP value.,CCOC(=O)c1cc2cc(-c3cnc(Nc4ccc(F)c(Cl)c4)nc3NCCCOC)cc(O)c2n1C
MR,Please modify the molecule CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 to increase its MR value.,CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C(=O)[OH])cccc3s2)cc1
QED,Please optimize the molecule CC1CCC(Nc2cc(Br)ncn2)C1C to have a lower QED value.,CC(=O)c1cc(NC2CCC(C)C2C)ncn1
AtomNum,"The molecule has 14 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC(C)[NH+](C(C)C)C(C)Oc1ccc(N)cc1
BondNum,"There is a molecule with 13 single bonds, 1 double bond, 7 rotatable bonds, and 17 aromatic bonds.",COc1cc(-c2noc(COC(=O)c3ccc(F)cc3N)n2)ccc1OC(F)F
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, and 1 sulfone group.",CCc1onc(C)c1NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
AddComponent,Add a aldehyde to the molecule CC1CCCCN(S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)C1.,CC1CCC(CC=O)CN(S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)C1
SubComponent,Please substitute a halo in the molecule O=C([O-])c1cnc(N2CCC(c3ccc(Br)cc3)CC2)cn1 with a thiol.,O=C([O-])c1cnc(N2CCC(c3ccc(S)cc3)CC2)cn1
DelComponent,Please remove a benzene ring from the molecule C[NH+]=C(NCc1ccc(OC)cc1OC)NCC1CCN(c2ccccc2OC)C1.,C[NH+]=C(NCC1CCN(c2ccccc2OC)C1)NC(OC)OC
LogP,Optimize the molecule Cc1ccccc1C[n+]1c(CNC(=O)COc2ccccc2)[nH]c2ccccc21 to have a higher LogP value.,Cc1ccccc1C[n+]1c(COc2ccccc2)[nH]c2ccccc21
MR,Please modify the molecule CCCc1nnsc1C(=O)Nc1ccc(CC(=O)NC2CC2)cc1 to decrease its MR value.,CCCc1nnsc1C(=O)NCC(=O)NC1CC1
QED,Optimize the molecule Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNc1cccc(C(F)(F)F)c1)CCC2 to have a higher QED value.,Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(F)(F)F)CCC2
AtomNum,"Please generate a molecule with 15 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, 2 sulfur atoms, and 1 chlorine atom.",Cc1csc(NC(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)n1
BondNum,"Please generate a molecule with 18 single bonds, 1 double bond, and 2 rotatable bonds.",CC1CCC(C)N1C(=O)C(C)C1(C)CCOCC1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 2 amide groups.",COc1ccccc1CNC(=O)C1CC1C(=O)NC1CCCCCC1
AddComponent,Please add a carboxyl to the molecule C=C(C)C(=O)OCC(COC(=O)CC[NH+](CCO[P+]([O-])(OCC)OCC)CCC(=O)OCC(COC(=O)C(=C)C)O[P+]([O-])(OCC)OCC)O[P+]([O-])(OCC)OCC.,C=C(C)C(=O)OCC(COC(=O)CC[NH+](CCO[P+]([O-])(OCC)OCC)CCC(=O)OCC(COC(=O)C(=C)CC(=O)O)O[P+]([O-])(OCC)OCC)O[P+]([O-])(OCC)OCC
SubComponent,Please substitute a Cc1cc(C(=O)N2Cc3cccn3Cc3ncccc32)ccc1Br in the molecule halo with a nitro.,Cc1cc(C(=O)N2Cc3cccn3Cc3ncccc32)ccc1NO
DelComponent,Modify the molecule Cc1[nH]nc(N=Nc2c(S(=O)(=O)[O-])cc3cc(SOOO)cc(O)c3c2N)c1Cl by removing a halo.,Cc1cc(N=Nc2c(S(=O)(=O)[O-])cc3cc(SOOO)cc(O)c3c2N)n[nH]1
LogP,Modify the molecule CC(C)C(NC(=O)c1ccccc1)C(=O)N(C)CCC#N to increase its LogP value.,CC(C)N(C(=O)c1ccccc1)C(C)CC#N
MR,Please optimize the molecule CCOc1ccc(C2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(N)=O)cc2)cc1 to have a higher MR value.,CCOc1ccc(C2C(S(=O)(=O)c3ccccc3)=C(C#N)C(=O)N2c2ccc(C(N)=O)cc2)cc1
QED,Modify the molecule O=C([O-])c1cccnc1C(=O)c1cccc(Br)c1 to increase its QED value.,O=C([O-])c1cc(O)cnc1C(=O)c1cccc(Br)c1
AtomNum,"Please generate a molecule with 11 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CSCCCCNS(=O)(=O)c1cnn(CCCO)c1
BondNum,"There is a molecule with 13 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C(C1CC=CC1)N1CC(Oc2cccc(Cl)c2)C1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 hydroxyl groups, 2 amine groups, and 1 halo group.",NC(=[NH+]O)c1cccc(C[NH2+]CC2CCCC2O)c1F
AddComponent,Please add a hydroxyl to the molecule Cc1nc(C(N)=O)sc1-c1cccc(C(C)(C)C)c1.,Cc1nc(C(N)=O)sc1-c1cc(C(C)(C)C)ccc1O
SubComponent,Modify the molecule halo by substituting a O=C([O-])c1c(F)cccc1NC(=O)c1cccn1Cc1ccccc1 with a thiol.,O=C([O-])c1c(S)cccc1NC(=O)c1cccn1Cc1ccccc1
DelComponent,Modify the molecule amide by removing a Cc1sc2ncn(CCC(=O)N(C)C3CC[NH2+]C3)c(=O)c2c1C.,Cc1sc2ncn(CC3(C)CC[NH2+]C3)c(=O)c2c1C
LogP,Modify the molecule C#Cc1ccc(C(=O)[O-])c(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4cc(C#C)ccc4C(=O)[O-])cc3)cc2)c1 to decrease its LogP value.,C#Cc1ccc(C(=O)[O-])c(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4cc(C#C)ccc4C(=O)[O-])cc3CC=O)cc2)c1
MR,Please modify the molecule CCCc1cc(N(CC)CC)nc(Nc2cccc(OC(F)(F)F)c2)n1 to increase its MR value.,CCCc1cc(N(CC)CC)nc(Nc2cccc(OC(F)(F)C#N)c2)n1
QED,Please optimize the molecule C[NH2+]CCC(=O)N1C(C)CCCC1C to have a higher QED value.,CC1CCCC(C)N1C(=O)CC[NH2+]Cc1ccccc1
AtomNum,"There is a molecule with 22 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 1 fluorine atom, and 1 bromine atom.",O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1cccc(Br)c1
BondNum,"There is a molecule consisting of 14 single bonds, 2 double bonds, 1 triple bond, and 6 rotatable bonds.",C#CCCCNC(=O)C(C(=O)OCC)C(C)(C)C
FunctionalGroup,"The molecule is composed of 1 amine group, and 1 nitrile group.",CCNC(C)(C#N)CCC[NH+]1CCOCC1CC
AddComponent,Please add a hydroxyl to the molecule CC[NH2+]C1CCC(C(C)(C)C)CC1N(C)C(C)C(C)C.,CC[NH2+]C1CCC(C(C)(C)C)CC1(O)N(C)C(C)C(C)C
SubComponent,Please substitute a halo in the molecule FC(F)(F)c1ccc(OCC2CO2)c(Cl)c1 with a nitrile.,N#CC(F)(F)c1ccc(OCC2CO2)c(Cl)c1
DelComponent,Remove a amine from the molecule CCCS1(=O)=NC(C(C)C)=[NH+]c2ccccc21.,CCCS1(=O)=NC(C(C)C)c2ccccc21
LogP,Please modify the molecule CC(C)(C)c1ccc(O)c(NC(=O)c2cn[nH]c2C2CCOC2)c1 to increase its LogP value.,CC(C)(C)c1ccc(NO)c(NC(=O)c2cn[nH]c2C2CCOC2)c1
MR,Modify the molecule CC(=Cc1ccccc1)C(C)C(=O)[O-] to decrease its MR value.,C=C(C)C(C)C(=O)[O-]
QED,Modify the molecule COc1ccc(NC(=O)NCC(OC)c2ccccc2Cl)c(OC)c1 to have a higher QED value.,COc1ccc(NC(=O)NCC(OC)c2ccccc2)c(OC)c1
AtomNum,"Please generate a molecule consisting 25 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",CC(C)(C)c1sc(=Nc2ccccc2)n(-c2ccccc2)c1-c1ccccc1
BondNum,"There is a molecule with 15 single bonds, 2 double bonds, and 2 rotatable bonds.",O=C([O-])C1COCC(=O)N1C1CCC[NH2+]C1
FunctionalGroup,"The molecule is composed of 3 amine groups, and 1 sulfide group.",CCNC(NCCC(OCC)C1CCCC1)=[NH+]Cc1csc(CC)n1
AddComponent,Add a nitrile to the molecule CCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)c(OCC)c1.,CCOc1ccc(C(C#N)=Nn2cnnc2SCc2ccc(Cl)cc2Cl)c(OCC)c1
SubComponent,Please substitute a Cc1ccc(C[NH2+]CC(=O)NCCc2ccc(Cl)cc2)cc1 in the molecule halo with a thiol.,Cc1ccc(C[NH2+]CC(=O)NCCc2ccc(S)cc2)cc1
DelComponent,Please remove a O=C1OC(c2ccc(I)c(Br)c2)=NC1=Cc1ccccc1F from the molecule halo.,O=C1OC(c2ccc(I)c(Br)c2)=NC1=Cc1ccccc1
LogP,Please modify the molecule O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCCc1ccccc1 to increase its LogP value.,CC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCc1ccccc1
MR,Please optimize the molecule CC(=O)c1ccc(Nc2cccc(C#N)c2)c(N)c1 to have a higher MR value.,CC(=O)c1ccc(Nc2cc(C#N)ccc2C(=O)O)c(N)c1
QED,Modify the molecule CC1Cc2cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc2N1S(C)(=O)=O to decrease its QED value.,CC1C(O)c2cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc2N1S(C)(=O)=O
AtomNum,"There is a molecule with 15 carbon atoms, 3 nitrogen atoms, and 2 chlorine atoms.",Clc1ccc2ncnc(NCc3ccccc3Cl)c2c1
BondNum,"There is a molecule with 16 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CCCCC(c1ccc(Cl)c(Cl)c1)[NH+]1CCC(C(=O)[O-])CC1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 1 aldehyde group.",CCCCC(CC)COc1ccc(C(C)(C)C)c(C=O)c1OCC(CC)CCCC
AddComponent,Modify the molecule O=C([O-])CN(CC[NH+]1CCOCC1)c1ccc(Cl)cc1 by adding a benzene ring.,O=C([O-])CN(CC[NH+]1CCOCC1)c1ccc(Cl)cc1-c1ccccc1
SubComponent,Please substitute a CC1CC(C)CN(c2ncc(Cl)cc2F)C1 in the molecule halo with a thiol.,CC1CC(C)CN(c2ncc(S)cc2F)C1
DelComponent,Please remove a amide from the molecule CN(C)C(=O)NCCNC(=O)COC(C)(C)C.,CN(C)C(=O)NCCOC(C)(C)C
LogP,Modify the molecule COc1ccc(C2=C(CSc3ccccc3)OC3=CCCC32C(C)=O)cc1 to decrease its LogP value.,COc1ccc(C2=C(CS)OC3=CCCC32C(C)=O)cc1
MR,Modify the molecule Cc1ccn2nc(-c3ccccc3Br)nc2c1 to decrease its MR value.,Cc1ccn2nc(Br)nc2c1
QED,Please modify the molecule Cc1cc(=O)c(C[NH3+])cn1-c1c(F)cccc1F to decrease its QED value.,Cc1cc(=O)c(C[NH3+])cn1-c1ccccc1F
AtomNum,"Please generate a molecule with 16 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 2 chlorine atoms.",Nc1c(Cl)cc(NC(=O)c2cc3ccccc3oc2=O)cc1Cl
BondNum,"The molecule contains 18 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccc2c(c1)CC1(CC[NH+](CCCC(=O)c3ccc(F)cc3)CC1)O2
FunctionalGroup,There is a molecule consisting of and 3 amine groups.,CCCOc1ncccc1CNC(NCC1([NH+]2CCOCC2)CCCCC1)=[NH+]C
AddComponent,Please add a benzene ring to the molecule Cc1ccc(C2=NC(CC(=O)NCCOc3ccc(CC(=O)NC(C(=O)N4CC(O)CC4C(=O)NCc4ccc(-c5sccc5C)cc4)C(C)(C)C)cc3)c3nnc(C)n3-c3sc(C)c(C)c32)cc1.,Cc1ccc(C2=NC(CC(=O)NCCOc3ccc(CC(=O)NC(C(=O)N4CC(O)C(c5ccccc5)C4C(=O)NCc4ccc(-c5sccc5C)cc4)C(C)(C)C)cc3)c3nnc(C)n3-c3sc(C)c(C)c32)cc1
SubComponent,Modify the molecule halo by substituting a Cc1nc(N)sc1CC(Cl)(Cl)Cl with a hydroxyl.,Cc1nc(N)sc1CC(O)(Cl)Cl
DelComponent,Modify the molecule nitrile by removing a Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOCC1C1CCCC1O.,Cc1cc(=O)[nH]c(C)c1CCC(=O)N1CCOCC1C1CCCC1O
LogP,Modify the molecule CC[NH2+]C(Cc1c(C)cccc1C)C(C)(CC)N(C)C to have a lower LogP value.,CCCC([NH2+]CC)C(C)(CC)N(C)C
MR,Please optimize the molecule CC(C)CC(CBr)N=Cc1ccccc1 to have a higher MR value.,CC(C)CC(CBr)N=Cc1ccccc1O
QED,Please optimize the molecule CCOC(=O)c1nnsc1NC(=O)CN(C)S(C)(=O)=O to have a higher QED value.,CCOC(=O)c1nnsc1N(C)S(C)(=O)=O
AtomNum,"The molecule is composed of 11 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",CCC1CN(C(=O)C[NH2+]C2CC2)CCS1
BondNum,"The molecule is composed of 15 single bonds, 1 double bond, 2 rotatable bonds, and 11 aromatic bonds.",Nc1nc2c(s1)CCCC2C(=O)N1CCN(c2ccccc2)CC1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 2 amide groups, and 1 halo group.",CC(C)Oc1ccccc1C(=O)N1CC[NH+](C(C)C(=O)Nc2cccc(F)c2)CC1
AddComponent,Add a benzene ring to the molecule CCCCCCCCCCCCCCC(C)OC(=O)CCCCC(=O)[O-].,CCCCCCCCCCCCCCC(C)OC(=O)C(CCCC(=O)[O-])c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule Oc1cc(F)ccc1CC1CC[NH2+]C1 with a carboxyl.,O=C([OH])c1cc(F)ccc1CC1CC[NH2+]C1
DelComponent,Remove a halo from the molecule CCOCCN(CC)c1ccc(Br)cn1.,CCOCCN(CC)c1ccccn1
LogP,Please modify the molecule CC(C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O to decrease its LogP value.,CC(C(=O)NC(C)(C)C)N(Cc1ccc(C(=O)[OH])cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O
MR,Please optimize the molecule O=C(Cc1cccc2ccccc12)NCc1cccc(Cl)c1 to have a lower MR value.,N#Cc1cccc(CNC(=O)Cc2cccc3ccccc23)c1
QED,Please optimize the molecule CCc1ccc(NC(=O)C2CCCN(c3cc(=O)n(C)c(=O)n3CC)C2)cc1 to have a higher QED value.,CCc1ccc(C2CCN(c3cc(=O)n(C)c(=O)n3CC)C2)cc1
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 fluorine atoms.",CC1OC1(CN(C)C=[NH+]C=[NH2+])c1ccc(F)cc1F
BondNum,"The molecule consists of 11 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",Nn1cnnc1SCC(=O)N1CC[NH2+]CC1
FunctionalGroup,"The molecule has 5 benzene ring groups, 3 amide groups, 1 thioether group, and 1 sulfide group.",COc1ccc(NC(=O)C(Sc2ccc(NC(=O)C(=Cc3ccc(OC)cc3OC)NC(=O)c3ccccc3)cc2)c2ccccc2)cc1
AddComponent,Add a hydroxyl to the molecule COCCCOCCOc1cccc2c1NC(C)CC2.,COCCCOCCOc1cccc2c1NC(CO)CC2
SubComponent,Please substitute a halo in the molecule CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CC[NH2+]Cc2cccc(CC)c2)c1 with a nitrile.,CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(C#N)c2)C(O)CC[NH2+]Cc2cccc(CC)c2)c1
DelComponent,Please remove a benzene ring from the molecule COc1ccc2cc(-c3ccnc(NC4CC[NH+](Cc5ccccc5)CC4)n3)cc(NC(=O)[O-])c2c1.,COc1ccc2cc(-c3ccnc(NC4CC[NH+](C)CC4)n3)cc(NC(=O)[O-])c2c1
LogP,Please optimize the molecule COCC(CCO)NC(=O)c1ccc(Br)cc1C(F)(F)F to have a lower LogP value.,COCC(CC(O)O)NC(=O)c1ccc(Br)cc1C(F)(F)F
MR,Optimize the molecule NNC(c1ccccc1Cl)C1CCOC2(CCOCC2)C1 to have a higher MR value.,CC(=O)c1ccccc1C(NN)C1CCOC2(CCOCC2)C1
QED,Please optimize the molecule COC(=O)c1cc(Cl)cc(C)c1Oc1nc(OC)cc(OC)n1 to have a lower QED value.,COC(=O)c1cc(NO)cc(C)c1Oc1nc(OC)cc(OC)n1
AtomNum,"The molecule consists of 17 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 chlorine atom.",Cc1ccc(-c2cc(-c3ccccc3C(=O)[O-])[nH]n2)cc1Cl
BondNum,"There is a molecule consisting of 11 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCC(C)(C)N(C)S(=O)(=O)c1cc(N)ccc1OC
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amine groups, 1 sulfide group, and 1 sulfone group.",Nc1ccc(N(Cc2ccsc2)C2CC2)c(S(N)(=O)=O)c1
AddComponent,Please add a benzene ring to the molecule O=C(Nc1ccc(N2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)cc1)Nc1ccc(Cl)cc1Cl.,O=C(Nc1ccc(N2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2c2ccccc2)cc1)Nc1ccc(Cl)cc1Cl
SubComponent,Please substitute a halo in the molecule CCC(CC)c1nnc(NC(=O)CSc2ccccc2Cl)s1 with a aldehyde.,CC(=O)c1ccccc1SCC(=O)Nc1nnc(C(CC)CC)s1
DelComponent,Please remove a CCOC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O from the molecule benzene ring.,CCOC(=C[P+](c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O
LogP,Please optimize the molecule O=C(c1ccc(I)c(Cl)c1)N1CCC[NH+](CCO)CC1 to have a lower LogP value.,ONc1ccc(C(=O)N2CCC[NH+](CCO)CC2)cc1Cl
MR,Optimize the molecule CCOC(=O)N(CC[NH3+])C(=S)N(CCO)CCO to have a higher MR value.,CCOC(=O)N(CC[NH3+])C(=S)N(CCO)CCS
QED,Modify the molecule CCCCCCCCCc1ccc(N[N+](=O)c2ccc(CCCCCCCCC)cc2)cc1 to increase its QED value.,CCCCCCCCCc1ccc([N+](=O)c2ccc(CCCCCCCCC)cc2)cc1
AtomNum,"There is a molecule composed of 34 carbon atoms, 4 oxygen atoms, and 1 sulfur atom.",CC(C)=CC1CC(C)C2CC(c3ccccc3)C(C)c3c(OCc4ccccc4)c(OS(C)(=O)=O)c(C)c1c32
BondNum,"There is a molecule with 17 single bonds, 3 double bonds, 8 rotatable bonds, and 18 aromatic bonds.",COc1ccccc1N(CC(=O)NC(C)c1ccc2c(c1)CCCC2)S(=O)(=O)c1ccc(C)cc1
FunctionalGroup,The molecule is composed of and 1 amine group.,C=CCNc1cc(N(C)CCCC(=O)[O-])nc(C)n1
AddComponent,Please add a hydroxyl to the molecule COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc1OC.,COc1cc(S(=O)(=O)NCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)ccc1OCO
SubComponent,Please substitute a halo in the molecule CC(C)C(CNC(=O)c1cccc(F)c1Br)[NH+](C)C with a thiol.,CC(C)C(CNC(=O)c1cccc(S)c1Br)[NH+](C)C
DelComponent,Remove a benzene ring from the molecule CCC1(CC)OC1c1ccccc1.,CCC1(CC)CO1
LogP,Modify the molecule O=C(c1ccccc1)C1C(c2ccccc2)=C2CCCC2C(C(=O)c2ccccc2)C1CCCC#Cc1ccccc1 to decrease its LogP value.,C#CCCCC1C(C(=O)c2ccccc2)C(c2ccccc2)=C2CCCC2C1C(=O)c1ccccc1
MR,Please modify the molecule COCc1cc(C(=O)Nc2cnccc2Cl)no1 to increase its MR value.,COCc1cc(C(=O)Nc2cnccc2NO)no1
QED,Please modify the molecule Cc1cccc(N2C(=O)C(=Cc3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c1C to increase its QED value.,Cc1cccc(N2C(=O)C(=Cc3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)c1C
AtomNum,"There is a molecule with 9 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CCN1CCN(c2nc(C)cs2)C1=O
BondNum,"Please generate a molecule composed of 22 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCc1ccccc1NC(=O)CN(C)C(=O)C(C)[NH+]1CCN(c2cc(C)nc(C(C)C)n2)CC1
FunctionalGroup,"There is a molecule with 3 amine groups, and 1 halo group.",NNc1ncc(Cl)c(NC2CCCCCCC2)n1
AddComponent,Please add a benzene ring to the molecule COc1ccnc(NCC2CC(Cl)C2)n1.,COc1nc(NCC2CC(Cl)C2)ncc1-c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule CC(O)C1CC2OC(N3CCC3)=[NH+]C2C(O)C1O with a nitrile.,CC(C#N)C1CC2OC(N3CCC3)=[NH+]C2C(O)C1O
DelComponent,Modify the molecule amide by removing a Cc1cc(CCNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)no1.,Cc1cc(CCCC(=O)c2ccc3c(c2)OCCO3)no1
LogP,Modify the molecule NC(=O)c1cn(C2CC(CO)CC2O)nn1 to have a higher LogP value.,NC(=O)c1cn(C2CC(CS)CC2O)nn1
MR,Please optimize the molecule CCCC(=O)c1cnc2c(C3OC3CO)cccc2c1Nc1ccccc1C to have a higher MR value.,CCCC(=O)c1cnc2c(C3OC3CNO)cccc2c1Nc1ccccc1C
QED,Please optimize the molecule Cc1ccc(C(=O)Nc2ccc(NCCc3ccccn3)cc2)c(N(C)C)c1 to have a higher QED value.,Cc1ccc(C(=O)Nc2ccc(CCc3ccccn3)cc2)c(N(C)C)c1
AtomNum,"The molecule has 28 carbon atoms, 6 oxygen atoms, and 2 nitrogen atoms.",CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCC)c(OCC)c2)C1c1ccncc1
BondNum,"Please generate a molecule composed of 11 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",[NH3+]C(Cc1ccc(Br)cc1)C1CSCCS1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",[NH3+]CC(=O)NCc1ccc(I)cc1
AddComponent,Add a amine to the molecule O=C([O-])N1CC(c2nc3ccccc3nc2N2CCCCC2)C1.,NC1C(c2nc3ccccc3nc2N2CCCCC2)CN1C(=O)[O-]
SubComponent,Modify the molecule halo by substituting a CC1=C(C(=O)C2CCCC2)C=CC(C(=O)NC(CCN2CCNC2=O)C2=[NH+]C3CC(Cl)=CC=C3N2)C1 with a hydroxyl.,CC1=C(C(=O)C2CCCC2)C=CC(C(=O)NC(CCN2CCNC2=O)C2=[NH+]C3CC(O)=CC=C3N2)C1
DelComponent,Modify the molecule benzene ring by removing a CCC1CS(=O)CC(c2ccc(F)cc2)N1.,CCC1CS(=O)CC(F)N1
LogP,Modify the molecule CCC1=NOC(CNC(=O)c2ccc(-c3cn(C(F)F)nc3C)cc2)C1 to have a lower LogP value.,CCC1=NOC(CNC(=O)c2cn(C(F)F)nc2C)C1
MR,Please modify the molecule C=C(C)CCC(O)CC(OCC)OCC to decrease its MR value.,C=C(C)CCC(F)CC(OCC)OCC
QED,Please optimize the molecule CC(=Cc1ccc(C)cc1)C(=O)N(C)CC(C)(C)O to have a lower QED value.,CC(=Cc1ccc(C)cc1)C(=O)N(C)CC(C)(O)CO
AtomNum,"Please generate a molecule composed of 13 carbon atoms, 2 oxygen atoms, and 2 chlorine atoms.",CC1(C)C(CC2(C(=O)[O-])CCCCC2)C1(Cl)Cl
BondNum,"The molecule consists of 6 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",CC(=O)NCCc1cc(O)c2ncsc2c1
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, and 6 halo groups.",CCCC1CCC(c2ccc(CCC(F)(F)Oc3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)cc2)CC1
AddComponent,Add a aldehyde to the molecule CCCC1SCC(C=O)[NH+]1C.,CCCC1SCC(C=O)(CC=O)[NH+]1C
SubComponent,Substitute a CCCN(CCC)c1ccnc(Nc2cc(Cl)cc(Cl)c2)n1 in the molecule halo with a nitrile.,CCCN(CCC)c1ccnc(Nc2cc(Cl)cc(C#N)c2)n1
DelComponent,Remove a benzene ring from the molecule COc1ccc(CCNC(=O)OCc2cccc(OC)c2)cc1.,COCOC(=O)NCCc1ccc(OC)cc1
LogP,Modify the molecule Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccc(O)cc1 to increase its LogP value.,CC(=O)c1cc2cc(C)c(-c3ccc(O)cc3)c(C)c2cc1O
MR,Modify the molecule CSC1(CNc2cc([N+](=O)[O-])cc(N)n2)CC1 to increase its MR value.,CSC1(CNc2cc(I=O)cc(N)n2)CC1
QED,Please optimize the molecule CC1CCCC(Nc2ccc(C(=O)[O-])c(Br)c2)CC1 to have a lower QED value.,CC1CCCC(c2ccc(C(=O)[O-])c(Br)c2)CC1
AtomNum,"Please generate a molecule with 11 carbon atoms, 4 nitrogen atoms, and 1 bromine atom.",CC(=NNC1=[NH+]CCN1)c1ccc(Br)cc1
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, 11 rotatable bonds, and 11 aromatic bonds.",O=C(CCCCCC[NH2+]Cc1ccc(NC(=O)c2ccon2)cc1)NO
FunctionalGroup,"Please generate a molecule with 1 amide group, 1 amine group, and 1 sulfide group.",Cc1nc(N)sc1C(=O)NCC[NH+]1CCCC1
AddComponent,Please add a carboxyl to the molecule CCOC(=O)CC(C)S(=O)(=O)c1ccc(F)cc1F.,CCOC(=O)CC(C)(C(=O)O)S(=O)(=O)c1ccc(F)cc1F
SubComponent,Substitute a hydroxyl in the molecule COc1ccc(N)cc1S(=O)(=O)N(CCO)CCO with a thiol.,COc1ccc(N)cc1S(=O)(=O)N(CCO)CCS
DelComponent,Please remove a Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCCOC2CCCCC2)c1 from the molecule amine.,Cc1ccc(C)c(S(=O)(=O)CCC(=O)NCCCOC2CCCCC2)c1
LogP,Optimize the molecule CNc1nnc(Cl)c(C)c1C to have a lower LogP value.,Cc1c(Cl)nnc(NCC(=O)O)c1C
MR,Optimize the molecule C=CCc1ccccc1OCCn1c(CCCCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21 to have a lower MR value.,C=CCc1ccccc1OCCn1c(CCCCCNC(=O)COC)nc2ccccc21
QED,Please optimize the molecule O=C(NCc1ccc(F)cc1)N1CCc2sc(Cl)cc2C1 to have a lower QED value.,O=C(NCc1ccc(F)cc1)N1Cc2cc(Cl)sc2CC1O
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COc1cc2c(cc1OC)CN(C(=O)Cn1c(COc3ccc(C)cc3)nc3ccccc31)CC2
BondNum,"The molecule has 11 single bonds, 1 double bond, 7 rotatable bonds, and 6 aromatic bonds.",O=C(Nc1cccc(Cl)c1)OCCCCCCCl
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 1 amine group, 2 halo groups, 2 thioether groups, and 2 sulfide groups.",Nc1ncnc2c1nc(Sc1cc(Cl)cc(Cl)c1)n2CCCCCCCCNC(=O)CCOCCOCCOCCOCC[NH2+]CCCCCC1SCC2NC(=O)NC21
AddComponent,Modify the molecule CCc1cc(C(C)(C)c2cc(CC)c(OCC3OC3C)c(CC)c2)cc(CC)c1OCC1OC1C by adding a hydroxyl.,CCc1cc(C(C)(C)c2cc(CC)c(OCC3(O)OC3C)c(CC)c2)cc(CC)c1OCC1OC1C
SubComponent,Please substitute a [NH3+]Cc1c(-c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cn12 in the molecule nitro with a thiol.,[NH3+]Cc1c(-c2cccc([SH]=O)c2)nc2ccc(Br)cn12
DelComponent,Please remove a benzene ring from the molecule CCCCCC1CCC(c2ccc(-c3ccc(Sc4cccc5c4C(=O)c4cc(-c6ccc(CCCC)cc6)cc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1.,CCCCCC1CCC(c2ccc(-c3ccc(Sc4cccc5c4C(=O)c4cc(CCCC)cc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1
LogP,Modify the molecule C=CCOC12Oc3ccc(Oc4ccc(-c5ccccc5)cc4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC)CC1N(CCC)C(=O)c1ccc4c(c1)OCO4)C32 to increase its LogP value.,C=CCOC12Oc3ccc(Oc4ccc(-c5ccccc5)cc4)cc3C3C(CCCCBr)C(CCCCO)C=C(C(=NOC)CC1N(CCC)C(=O)c1ccc4c(c1)OCO4)C32
MR,Modify the molecule OCC1(CCOCc2ccccc2)CC1 to have a higher MR value.,O=C([OH])CC1(CCOCc2ccccc2)CC1
QED,Please optimize the molecule CC(C)[NH2+]CCCS(=O)(=O)NCC1(C)CC1 to have a higher QED value.,CC(C)[NH2+]CCCS(=O)(=O)CC1(C)CC1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(O)CC1CCCCN1C(=O)C1(C[NH3+])CC1
BondNum,"Please generate a molecule consisting 15 single bonds, 1 double bond, 8 rotatable bonds, and 18 aromatic bonds.",CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccc(Nc2ccccc2)cc1
FunctionalGroup,The molecule contains and 2 amide groups.,CC(C(=O)N1CCC2NC(=O)CCC2C1)C1CC1
AddComponent,Modify the molecule CC(=O)c1cccc(S(=O)(=O)N(C)C(C)CO)c1 by adding a hydroxyl.,CC(=O)c1cccc(S(=O)(=O)N(C)C(C)C(O)O)c1
SubComponent,Substitute a hydroxyl in the molecule CC(C)Oc1cnc(B(O)O)cn1 with a aldehyde.,CC(=O)B(O)c1cnc(OC(C)C)cn1
DelComponent,Modify the molecule halo by removing a O=[N+]([O-])c1cc(NC2Cc3ccccc3C2)c(F)cc1F.,O=[N+]([O-])c1cc(NC2Cc3ccccc3C2)ccc1F
LogP,Modify the molecule CCC(C(=O)[O-])P(=O)(CC(F)(F)F)CC(F)(F)F to decrease its LogP value.,CCC(C(=O)[O-])P(=O)(CC(O)(F)F)CC(F)(F)F
MR,Modify the molecule [NH3+]CC(=O)NCCNC(=O)CNI to have a lower MR value.,N#CNCC(=O)NCCNC(=O)C[NH3+]
QED,Please optimize the molecule CSc1ccc(-c2noc(C3=C(C)N(c4ccccc4)C(=S)NC3c3cccc(F)c3)n2)cc1 to have a higher QED value.,CSc1ccc(-c2noc(C3=C(C)N(c4ccccc4)C(=S)NC3c3ccccc3)n2)cc1
AtomNum,"The molecule has 13 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 2 sulfur atoms, and 1 boron atom.",BNc1ccc(C[NH2+]C)c2sc3sccc3c(=O)c12
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",COC(=O)c1csc(NCCOc2cccc(C)c2)n1
FunctionalGroup,The molecule contains and 2 amine groups.,CCOCC(Nc1nc(N)nc(N(CC)CC)n1)C(C)C
AddComponent,Please add a carboxyl to the molecule Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)COc3ccccc3C)c2=O)c1.,Cc1cccc(Cn2c(C(=O)O)nc3c(cnn3CCNC(=O)COc3ccccc3C)c2=O)c1
SubComponent,Please substitute a halo in the molecule COc1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccc(C)o2)c(OC)c1 with a aldehyde.,CC(=O)c1ccc(CN(Cc2ccc(C)o2)C(=O)c2ccc(OC)cc2OC)cc1
DelComponent,Please remove a Nc1nc(=O)n(C2OC(CO)(CF)C(O)C2F)cc1F from the molecule halo.,Nc1ccn(C2OC(CO)(CF)C(O)C2F)c(=O)n1
LogP,Modify the molecule CC(C)c1cccc(NC(=O)c2cc(Br)cnc2NN)c1 to have a lower LogP value.,CC(C)c1cccc(NC(=O)c2cc(S)cnc2NN)c1
MR,Optimize the molecule COc1ccccc1C(=O)C1C[NH+]2CCCC2CO1 to have a higher MR value.,COc1c(C(=O)C2C[NH+]3CCCC3CO2)cccc1-c1ccccc1
QED,Optimize the molecule O=C(CN=Cc1ccccc1)OCC(F)(F)F to have a higher QED value.,O=C(CN=Cc1ccccc1)OCC(O)(F)F
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",COC(=O)N1CCCC([NH3+])C1Cc1cccc(-c2cccnc2)c1
BondNum,"Please generate a molecule consisting 13 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",CCN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)SC1=S
FunctionalGroup,"The molecule contains 2 benzene ring groups, and 6 halo groups.",FC(F)(F)c1ccc(C(=CC2CCCO2)c2ccc(C(F)(F)F)cc2)cc1
AddComponent,Please add a benzene ring to the molecule CC1CSCC(c2cc(Cl)sc2Cl)[NH2+]1.,Clc1cc(C2CSCC(Cc3ccccc3)[NH2+]2)c(Cl)s1
SubComponent,Modify the molecule halo by substituting a CSc1nc2nc(C)c(CC(=O)Nc3ccc(N(C)C4CCCCC4)c(F)c3)c(C)n2n1 with a thiol.,CSc1nc2nc(C)c(CC(=O)Nc3ccc(N(C)C4CCCCC4)c(S)c3)c(C)n2n1
DelComponent,Modify the molecule thiol by removing a CCCC[Si](C)(C)CNC(=O)CCS.,CCCC[Si](C)(C)CNC(=O)CC
LogP,Please modify the molecule CNC(=O)c1cccc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)c1 to decrease its LogP value.,CNC(=O)CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21
MR,Please optimize the molecule COCC(C)[NH2+]C1CCC(Nc2ncc(Cl)c(-c3ccnc(OCC4(C#N)CCOCC4)c3)n2)CC1 to have a higher MR value.,COCC(C)[NH2+]C1CCC(Nc2nc(O)c(Cl)c(-c3ccnc(OCC4(C#N)CCOCC4)c3)n2)CC1
QED,Modify the molecule CSCC(C)CNC(=O)CCCCC(=O)[O-] to decrease its QED value.,CSCC(C)CCCCC(=O)[O-]
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",COC(=O)C1(C)[NH2+]C(c2cc(F)ccc2-n2cccn2)C2C(=O)N(C)C(=O)C21
BondNum,"Please generate a molecule composed of 15 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC1CCc2ccccc2N1CC1(O)CC[NH2+]CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 1 sulfide group.",CCN1C(=O)C(=CC=C2N(CC)c3cc(-c4nc5ccccc5o4)ccc3N2c2ccccc2)SC1=S
AddComponent,Add a hydroxyl to the molecule O=C(NCCc1ccc(Cl)cc1Cl)c1cnc(N2CCCCC2)nc1.,O=C(NCCc1ccc(Cl)cc1Cl)c1cnc(N2CCCCC2)nc1O
SubComponent,Please substitute a hydroxyl in the molecule OC1CCC(c2nc(-c3cccs3)cs2)CC1 with a nitrile.,N#CC1CCC(c2nc(-c3cccs3)cs2)CC1
DelComponent,Please remove a Cc1nc(-c2ccc(F)c(C)c2)c(Br)s1 from the molecule halo.,Cc1cccc(-c2nc(C)sc2Br)c1
LogP,Modify the molecule COc1cc(C(=O)NC(C)CC(C)Br)cc(OC)c1OC to decrease its LogP value.,COc1cc(C(=O)NC(C)CC(C)C#N)cc(OC)c1OC
MR,Modify the molecule OC1CC(CF)(CF)Oc2cc(C(F)(F)F)ccc21 to increase its MR value.,FCC1(CF)CC(S)c2ccc(C(F)(F)F)cc2O1
QED,Modify the molecule CCOC(=O)C1=C(C[NH+]2CCCC2)N(CC)C(=O)NC1c1ccc(OC)c(OC)c1 to decrease its QED value.,CCN1C(=O)NC(c2ccc(OC)c(OC)c2)C(C(=O)OC(C)CC=O)=C1C[NH+]1CCCC1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",COC1CCCCC1Nc1nccn2nc(C)cc12
BondNum,"The molecule consists of 11 single bonds, 1 double bond, 8 rotatable bonds, and 12 aromatic bonds.",COc1cccc(CCNC(=O)COc2cccc(OC)c2)c1
FunctionalGroup,"The molecule consists of 2 benzene ring groups, 1 ketone group, and 1 amide group.",CCc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C)c(C)c3)C2c2cn(C)c3ccccc23)cc1
AddComponent,Please add a carboxyl to the molecule C=CC(=O)OCC(=O)N1CCCC1=O.,C=C(C(=O)O)C(=O)OCC(=O)N1CCCC1=O
SubComponent,Please substitute a halo in the molecule COc1cc(C=C2SC(=[NH+]c3ccccc3)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 with a aldehyde.,CC(=O)c1ccc(NC(=O)COc2ccc(C=C3SC(=[NH+]c4ccccc4)N(c4ccccc4)C3=O)cc2OC)cc1Cl
DelComponent,Modify the molecule halo by removing a COCCc1onc(N)c1-c1cccc(C(F)(F)F)c1.,COCCc1onc(N)c1-c1cccc(C(F)F)c1
LogP,Modify the molecule CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCN(C(=O)C=Cc3ccccc3)CC2)cc1 to have a lower LogP value.,CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)NN1CCN(C(=O)C=Cc2ccccc2)CC1
MR,Modify the molecule Cc1n[nH]c(=S)n1-c1cccc(NC(=O)c2sccc2C#N)c1 to decrease its MR value.,Cc1n[nH]c(=S)n1-c1cccc(NC(=O)c2cccs2)c1
QED,Please optimize the molecule CC(=NO)c1ccccc1OCCC(=O)NC(C)C to have a higher QED value.,CC(=N)c1ccccc1OCCC(=O)NC(C)C
AtomNum,"The molecule consists of 22 carbon atoms, 2 oxygen atoms, and 5 nitrogen atoms.",C[NH+]1CCC2(CC1)N=C(Nc1nc3ccccc3o1)NC1=C2C(=O)CC(C)(C)C1
BondNum,"There is a molecule consisting of 7 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",Cc1cc(C(N)=[NH2+])nc(N(C)c2ccc(F)cc2)n1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amine group, and 3 halo groups.",Fc1cc(F)c(NCC2Cc3ccccc32)cc1F
AddComponent,Please add a amine to the molecule CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OC(C)C(=O)c2ccc(OC(F)F)cc2)cc1.,CC(=O)Nc1ccc(S(=O)(=O)N(CN)CC(=O)OC(C)C(=O)c2ccc(OC(F)F)cc2)cc1
SubComponent,Substitute a halo in the molecule O=C1C[NH+]=C2c3cc(I)ccc3[NH+]=C(CCNc3nnc(Cc4c[nH]c5ccccc45)s3)N2N1c1ccccc1 with a carboxyl.,O=C([OH])c1ccc2c(c1)C1=[NH+]CC(=O)N(c3ccccc3)N1C(CCNc1nnc(Cc3c[nH]c4ccccc34)s1)=[NH+]2
DelComponent,Remove a benzene ring from the molecule Cc1[nH]c(=S)[nH]c1Cc1ccccc1.,Cc1[nH]c(=S)[nH]c1C
LogP,Modify the molecule COc1cc(OC)c(-c2ncc(N)cn2)cc1OC to have a higher LogP value.,COc1cc(OC)c(-c2ncccn2)cc1OC
MR,Please optimize the molecule Cc1ccnc(NCCSC(F)(F)F)c1C(=O)[O-] to have a lower MR value.,Cc1ccnc(NCCSC(F)F)c1C(=O)[O-]
QED,Modify the molecule CCCNc1ccccc1S(=O)(=O)N1CCC(C)CC1C to decrease its QED value.,CCCNS(=O)(=O)N1CCC(C)CC1C
AtomNum,"The molecule consists of 20 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, 3 fluorine atoms, and 1 chlorine atom.",CCCn1c(N)c(N(CCOC)C(=O)C=Cc2ccc(Cl)c(C(F)(F)F)c2)c(=O)[nH]c1=O
BondNum,"The molecule consists of 19 single bonds, 2 double bonds, and 2 rotatable bonds.",[NH3+]C1(C(=O)N2CC3CCCC3C2C(=O)[O-])CCOC1
FunctionalGroup,Please generate a molecule consisting and 1 nitrile group.,Cc1nnc(N(C)CC2CCC[NH+](C)C2c2cncn2C)c(C#N)c1C
AddComponent,Please add a carboxyl to the molecule O=S1(=O)CCC(SC2NCC[NH2+]2)C1.,O=C(O)C1(SC2CCS(=O)(=O)C2)NCC[NH2+]1
SubComponent,Modify the molecule halo by substituting a CCc1nc(Cl)c2cc(C(=O)[O-])sc2n1 with a thiol.,CCc1nc(S)c2cc(C(=O)[O-])sc2n1
DelComponent,Please remove a halo from the molecule CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n2CC(C)C.,CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1)c(=O)n2CC(C)C
LogP,Please optimize the molecule O=S(=O)(Cl)c1ccc(Cl)c(Cl)n1 to have a lower LogP value.,O=S(=O)(Cl)c1nc(Cl)c(Cl)cc1O
MR,Modify the molecule N#Cc1ccc(C(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)cc1 to decrease its MR value.,N#Cc1ccc(C(=O)Nc2nn(Cc3ccccc3)cc2Cl)cc1
QED,Please modify the molecule COc1cc(C)c(C([O-])=C2C(=O)C(=O)N(Cc3ccc(F)cc3)C2c2cn(C)c3ccccc23)cc1C(C)C to decrease its QED value.,CC(=O)c1ccc(CN2C(=O)C(=O)C(=C([O-])c3cc(C(C)C)c(OC)cc3C)C2c2cn(C)c3ccccc23)cc1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1ccccc1C1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1C
BondNum,"The molecule consists of 26 single bonds, 6 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CON=Cc1cc(Br)c2c(c1O)C([O-])=C1C(=O)C3(O)C([O-])=C(C(N)=O)C(=O)C([NH+](C)C)C3CC1C2
FunctionalGroup,The molecule has and 1 benzene ring group.,Cc1ccccc1COc1ccc(C[NH2+]C(C)(C)C)nc1
AddComponent,Modify the molecule Cc1cccc(C([NH3+])c2c(C)cc(F)cc2C)c1Br by adding a benzene ring.,Cc1cc(-c2ccccc2)cc(C([NH3+])c2c(C)cc(F)cc2C)c1Br
SubComponent,Substitute a hydroxyl in the molecule CB(O)NCCC[NH2+]CCCCN(CCCN=CB=O)B(C)O with a halo.,CB(Cl)NCCC[NH2+]CCCCN(CCCN=CB=O)B(C)O
DelComponent,Remove a benzene ring from the molecule [S-]c1ccc(SN2CCCC2)cc1.,[S-]SN1CCCC1
LogP,Please optimize the molecule CC(C)CCCC(C)n1c(SCCN2CCCC2=O)nc2ccccc2c1=O to have a higher LogP value.,CCCCSc1nc2ccccc2c(=O)n1C(C)CCCC(C)C
MR,Please optimize the molecule Cc1ccc2nc(SCCC(C)O)[nH]c2c1 to have a lower MR value.,CCCCSc1nc2ccc(C)cc2[nH]1
QED,Please modify the molecule COc1cc(Cl)ccc1S(=O)(=O)N1CCCC(O)C1 to decrease its QED value.,COc1cc(Cl)ccc1S(=O)(=O)N1CCCCC1
AtomNum,"There is a molecule consisting of 18 carbon atoms, 1 oxygen atom, and 7 nitrogen atoms.",Cc1cnc2c(cnn2-c2cnc3ncc(C(=O)NC(C)(C)C)c-3[nH]2)c1
BondNum,"Please generate a molecule consisting 12 single bonds, 3 double bonds, 9 rotatable bonds, and 23 aromatic bonds.",NC(=O)CCCCS(=O)(=O)c1cccc(Oc2ccc(F)c(-c3ncnc4c(Cl)cccc34)c2)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amide group.",CC(C)Cc1ccc(CC(=O)NC2CCC([NH3+])CC2)cc1
AddComponent,Please add a carboxyl to the molecule CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)Cc3ccccc3)CC2)cc1.,CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)Cc3ccccc3C(=O)O)CC2)cc1
SubComponent,Please substitute a halo in the molecule O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)OC1CCCC1)OC1C2CC3CC(C2)CC1C3 with a hydroxyl.,O=S(=O)([N-]S(=O)(=O)C(O)(F)S(=O)(=O)OC1CCCC1)OC1C2CC3CC(C2)CC1C3
DelComponent,Remove a CNc1nc(N2CCCC2NC=O)ccc1N from the molecule amine.,CNc1cccc(N2CCCC2NC=O)n1
LogP,Please modify the molecule [NH3+]CC(NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 to decrease its LogP value.,[NH3+]CC(NC(=O)c1ccc([SH]=O)[nH]1)C1CC1
MR,Modify the molecule O=C(c1ccn(COc2cccc(Cl)c2Cl)n1)N1CC[NH+](Cc2ccccc2F)CC1 to decrease its MR value.,O=C(c1ccn(COc2cccc(O)c2Cl)n1)N1CC[NH+](Cc2ccccc2F)CC1
QED,Please optimize the molecule C=CCC1CCC(c2ccc(-c3cnc(-c4ccc(F)cc4)nc3)cc2)CC1 to have a lower QED value.,C=C(CC=O)CC1CCC(c2ccc(-c3cnc(-c4ccc(F)cc4)nc3)cc2)CC1
AtomNum,"The molecule consists of 20 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",Cc1ccc(NC(=O)COC(=O)C=Cc2cnc3ccccc3n2)c(Br)c1
BondNum,"There is a molecule consisting of 22 single bonds, 5 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",CCCN1c2cc(C)c(C=C3NC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2C(C)=CC1(C)C
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 amine group.",CCCC(CCC)Nc1ccc(-c2cnco2)cc1
AddComponent,Add a hydroxyl to the molecule CC1(C)c2cc(-c3cc4ccc(N)cc4oc3=O)ccc2-c2ccc(-c3cc4c5ccccc5c5ccccc5c4oc3=O)cc21.,CC1(C)c2cc(-c3cc4ccc(N)cc4oc3=O)ccc2-c2ccc(-c3cc4c5ccccc5c5c(O)cccc5c4oc3=O)cc21
SubComponent,Please substitute a halo in the molecule O=C(Cc1ccsc1)c1ccc(Cl)nc1 with a nitro.,ONc1ccc(C(=O)Cc2ccsc2)cn1
DelComponent,Please remove a halo from the molecule Cc1ccc2c(c1)C([NH+]1CCN(CCN3CCCC3=O)CC1)Cc1ccc(C(F)(F)F)cc1S2.,Cc1ccc2c(c1)C([NH+]1CCN(CCN3CCCC3=O)CC1)Cc1ccc(C(F)F)cc1S2
LogP,Please modify the molecule CC(C)(NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 to decrease its LogP value.,CC(C)(NC(=O)CCc1ccc(C(=O)[O-])cc1O)c1cccc(F)c1
MR,Optimize the molecule COc1ccc2cc(O)n(O)c2c1 to have a higher MR value.,COc1ccc2cc(S)n(O)c2c1
QED,Please optimize the molecule O=C([O-])c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCN(c2ccccc2)CC1)=Cc1ccccc1-3 to have a higher QED value.,O=C([O-])c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCNCC1)=Cc1ccccc1-3
AtomNum,"There is a molecule consisting of 32 carbon atoms, 10 oxygen atoms, and 7 nitrogen atoms.",CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NCC(=O)NC(CCC[NH+]=C(N)N)COC(=O)c1ccc(OC)cc1
BondNum,"The molecule consists of 14 single bonds, 2 double bonds, and 3 rotatable bonds.",CC(C)NC(NN1CC[NH+]=C1N)=[NH+]C(C)C
FunctionalGroup,There is a molecule with and 1 benzene ring group.,Cc1cc(C)cc(-c2ccncc2C[NH3+])c1
AddComponent,Add a amine to the molecule COc1ccc(C23C(=O)N(Nc4ccc(Cl)cc4Cl)C(=O)C2CC2C(=CCC4C(=O)N(c5cccc([N+](=O)[O-])c5)C(=O)C42)C3c2ccc(OC)cc2O)cc1.,COc1ccc(C23C(=O)N(Nc4ccc(Cl)cc4Cl)C(=O)C2CC2C(=CCC4C(=O)N(c5cccc([N+](=O)[O-])c5)C(=O)C42N)C3c2ccc(OC)cc2O)cc1
SubComponent,Please substitute a halo in the molecule C=CCCCCCNc1ccc(OC(F)(F)F)c(Br)c1 with a nitrile.,C=CCCCCCNc1ccc(OC(F)(F)C#N)c(Br)c1
DelComponent,Please remove a halo from the molecule O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1nc2c(nc1CCC1CCCCC1)-c1ccccc1CC2.,O=C(Cc1cc(F)c(F)c(F)c1F)Nc1nc2c(nc1CCC1CCCCC1)-c1ccccc1CC2
LogP,Please modify the molecule NC(=[NH+]CCc1ccco1)C1CCCC1 to increase its LogP value.,NC(CCc1ccco1)C1CCCC1
MR,Optimize the molecule CC1CCC2(C(=O)N3CCN(C(=S)Nc4ccc(C(F)(F)F)cc4)CC3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C to have a higher MR value.,CC1CCC2(C(=O)N3CCN(C(=S)Nc4ccc(C(F)(F)C(=O)[OH])cc4)CC3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
QED,Please optimize the molecule CCc1nnsc1C(=O)OC(C)C(=O)c1ccc(NC(C)=O)cc1 to have a lower QED value.,CCc1nnsc1C(=O)OC(C)C(=O)c1ccc(NC(C)=O)c(-c2ccccc2)c1
AtomNum,"The molecule is composed of 7 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",C[NH2+]C(C(=O)[O-])c1nccn1C
BondNum,"Please generate a molecule with 25 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)C(C)(C)Oc1ccc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, and 2 halo groups.",CCOc1cc(C[NH2+]C(CC(C)C)C(=O)[O-])c(Br)cc1OCc1ccc(Cl)cc1
AddComponent,Please add a amine to the molecule CN(C)C(=O)c1ccc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ncccn2)cc1.,CN(C)C(=O)c1ccc(N(Cc2ccc3ccccc3c2)C(=O)C(N)C(=O)c2ncccn2)cc1
SubComponent,Substitute a halo in the molecule Cc1ccc(S(=O)(=O)NO)c(Br)c1 with a carboxyl.,Cc1ccc(S(=O)(=O)NO)c(C(=O)[OH])c1
DelComponent,Modify the molecule benzene ring by removing a CS(=O)(=O)N1C=C(c2ccccc2)C2C(=O)C(=O)C(C(=O)[O-])=CC21.,CS(=O)(=O)N1C=CC2C(=O)C(=O)C(C(=O)[O-])=CC21
LogP,Modify the molecule CC(C)C1CCC(OCC2C(NS(C)(=O)=O)CCCN2C(=O)CC[NH+](C)C)CC1 to have a higher LogP value.,CC(Cc1ccccc1)C1CCC(OCC2C(NS(C)(=O)=O)CCCN2C(=O)CC[NH+](C)C)CC1
MR,Please modify the molecule N#Cc1ccc2c(c1I)C([NH3+])CCO2 to decrease its MR value.,[NH3+]C1CCOc2cccc(I)c21
QED,Modify the molecule Cc1cc(-c2cc(C(=O)N3CCN(C(=O)C[NH+]4CCOCC4)CC3)c3c(C)noc3n2)c(C)o1 to have a lower QED value.,Cc1cc(-c2cc(C(=O)N3CCN(C(=O)C[NH+]4CCOCC4)C(C(=O)O)C3)c3c(C)noc3n2)c(C)o1
AtomNum,"The molecule is composed of 17 carbon atoms, 4 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",CSc1nc2nc(C)c(CC(=O)OCc3cccc([N+](=O)[O-])c3)c(C)n2n1
BondNum,"The molecule consists of 14 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",[NH3+]CCN1CCCN(C(=O)c2ccc(O)cc2O)CC1
FunctionalGroup,"The molecule has 6 hydroxyl groups, and 1 ester group.",COC(=O)CCCCCCCCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1ON=[N+]=[N-]
AddComponent,Modify the molecule CCC1CCCCN1C(=O)NC1CCCC1C(=O)[O-] by adding a benzene ring.,CCC1C(c2ccccc2)CCCN1C(=O)NC1CCCC1C(=O)[O-]
SubComponent,Modify the molecule CCCOCc1nc2c(c(C(F)(F)F)n1)CC[NH2+]C2 by substituting a halo with a carboxyl.,CCCOCc1nc2c(c(C(F)(F)C(=O)[OH])n1)CC[NH2+]C2
DelComponent,Remove a CCNC(=[NH+]Cc1cccc(OCC(N)=O)c1)N(C)CCOc1ccc(C)cc1 from the molecule amine.,CCNC(Cc1cccc(OCC(N)=O)c1)N(C)CCOc1ccc(C)cc1
LogP,Modify the molecule Cn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(I)ccc21 to decrease its LogP value.,Cn1nc(C(=O)NCc2ccc(C#N)cc2)c(=O)c2cc(I)ccc21
MR,Optimize the molecule CC1CC(NC(=O)CC(C)(O)c2ccccc2)C[NH+]1C1CC1 to have a lower MR value.,CC(O)CC(=O)NC1CC(C)[NH+](C2CC2)C1
QED,Please modify the molecule CCCOCn1cc(C(F)(F)F)[nH+]c1Nc1cc(C(C)CC(=O)[O-])ccc1N(CC(C)C)CC(C)C to decrease its QED value.,CCCOCn1cc(C(O)(F)F)[nH+]c1Nc1cc(C(C)CC(=O)[O-])ccc1N(CC(C)C)CC(C)C
AtomNum,"The molecule consists of 11 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",CC(C)C(C=[W])=Cc1ccc(=O)[nH]c1
BondNum,"Please generate a molecule with 14 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",c1cc(CN(CC2CC2)CC2CCC[NH2+]2)ncn1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 halo group.",O=C(Cn1nnc2ccccc21)NCC(c1ccc(F)cc1)[NH+]1CCOCC1
AddComponent,Add a hydroxyl to the molecule CCN(CC)C(=O)OC1=C(c2ccccc2)S(=O)(=O)C(c2ccccc2)C1=O.,CCN(CC)C(=O)OC1=C(c2ccc(O)cc2)S(=O)(=O)C(c2ccccc2)C1=O
SubComponent,Substitute a halo in the molecule O=c1nc(SCc2ccc(Cl)cc2)c2c(n1Cc1ccco1)CCC2 with a carboxyl.,O=C([OH])c1ccc(CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1
DelComponent,Modify the molecule COc1ccc(NC(CO)CO)cc1OC by removing a amine.,COc1ccc(C(CO)CO)cc1OC
LogP,Modify the molecule COC(=O)c1ccc(Cl)c(NCCC(=O)N2CCCCC2)c1 to decrease its LogP value.,COC(=O)c1ccc(NO)c(NCCC(=O)N2CCCCC2)c1
MR,Please optimize the molecule Fc1ccccc1OCc1nc2c(OCCC[NH2+]Cc3cccnc3)cccc2o1 to have a higher MR value.,O=C(O)c1ccc(OCCC[NH2+]Cc2cccnc2)c2nc(COc3ccccc3F)oc12
QED,Please modify the molecule ClCC1CCCC[NH+]1CC1CSc2ccccc21 to increase its QED value.,O=C([OH])CC1CCCC[NH+]1CC1CSc2ccccc21
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",Cc1cc(C)c([N+](=O)[O-])cc1Oc1ccc(Br)cc1C#N
BondNum,"The molecule contains 14 single bonds, 3 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CCCCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ester group, and 2 halo groups.",COC(=O)c1ccc(N2CC3C[NH2+]CC3C2C)c(F)c1F
AddComponent,Modify the molecule CCN(Cc1ccc(OC)cc1)C(=O)CN1CSCC1=O by adding a amine.,CCN(Cc1ccc(OC)c(N)c1)C(=O)CN1CSCC1=O
SubComponent,Substitute a Cc1ccc(CC(Br)CC2CCC2)cc1 in the molecule halo with a hydroxyl.,Cc1ccc(CC(O)CC2CCC2)cc1
DelComponent,Remove a amine from the molecule c1cc(N2CCCC2)ncc1NCC1CCSC1.,c1cc(N2CCCC2)ncc1CC1CCSC1
LogP,Modify the molecule CCC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1 to increase its LogP value.,COc1cccc(-c2ccc(N3CCC(C)C3)nn2)c1
MR,Optimize the molecule COCCc1ccc2c(c1)C(=O)CC(C)O2 to have a higher MR value.,COCCc1ccc2c(c1)C(=O)CC(C)(c1ccccc1)O2
QED,Optimize the molecule CCC(=O)OCc1cccc(OC2CCCCC2)c1 to have a lower QED value.,CCC(=O)OCOC1CCCCC1
AtomNum,"There is a molecule composed of 11 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCN(CCC(=O)[O-])C(=O)N1CCS(=O)(=O)CC1C
BondNum,"The molecule consists of 12 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",CN1C(=O)C(F)(F)c2cc(NC(C)(C)C)ccc21
FunctionalGroup,The molecule contains and 2 ester groups.,COC(=O)CCC[NH+](C)Cc1cc(C(=O)OC)c(C)o1
AddComponent,Add a benzene ring to the molecule Cc1cccc(Cn2c3cc(=O)n(CCC[NH+]4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c1.,Cc1cccc(Cn2c3cc(=O)n(CCC[NH+]4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c1-c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule COc1c(CC(C)(C)C(=O)[O-])ccc(F)c1O with a carboxyl.,COc1c(CC(C)(C)C(=O)[O-])ccc(F)c1C(=O)[OH]
DelComponent,Remove a FC(F)(F)c1cccc(Nc2nc3nonc3n3c(C(F)(F)F)nnc23)c1 from the molecule benzene ring.,FC(F)(F)Nc1nc2nonc2n2c(C(F)(F)F)nnc12
LogP,Please optimize the molecule Cc1cc(CC(=O)c2ccc(N)c(Br)c2)n(C)n1 to have a higher LogP value.,Cc1cc(CC(=O)c2cccc(Br)c2)n(C)n1
MR,Modify the molecule O=C([O-])CCC(=O)N1Cc2ccccc2Oc2ncccc21 to have a lower MR value.,O=C([O-])C1Cc2ccccc2Oc2ncccc21
QED,Optimize the molecule COc1cc(C(=O)NCCC(=O)Oc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC to have a lower QED value.,COc1cc(C(=O)NCCC(=O)Oc2ccc([N+](=O)[O-])cc2)c(C#N)c(OC)c1OC
AtomNum,"The molecule consists of 22 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 2 chlorine atoms.",O=C(CCCc1ccccc1)N1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1
BondNum,"The molecule contains 16 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",O=C(COc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(F)cc2)CC1CO
FunctionalGroup,"Please generate a molecule composed of 1 amine group, 1 thioether group, and 1 sulfide group.",Nc1cnn(CCSc2nnnn2C2CCCC2)c1
AddComponent,Modify the molecule COc1ccc(CN2CC(C(=O)Nc3ccc(F)c(C(N)=O)c3)CC2=O)cc1 by adding a amine.,COc1ccc(CN2C(=O)CC(C(=O)Nc3ccc(F)c(C(N)=O)c3)C2N)cc1
SubComponent,Please substitute a CC(=O)ONn1c(C(F)(F)F)nc2ccccc2c1=O in the molecule halo with a nitro.,CC(=O)ONn1c(C(F)(F)NO)nc2ccccc2c1=O
DelComponent,Remove a CCCCC1=C2c3c(ccc4cccc1c34)OCC2O from the molecule hydroxyl.,CCCCC1=C2CCOc3ccc4cccc1c4c32
LogP,Please optimize the molecule COC(=O)CC(=O)C=C(O)c1ccc(Cl)cc1[N+](=O)[O-] to have a lower LogP value.,COC(=O)CC(=O)C=C(O)c1ccccc1[N+](=O)[O-]
MR,Modify the molecule CC(=O)OCOC(=O)[NH+]=C(N)c1ccc(O)c(CNc2ncnc3cc(C(=O)N4CCCC4)c(C)cc23)c1 to have a higher MR value.,CC(=O)OCOC(=O)[NH+]=C(N)c1ccc(C#N)c(CNc2ncnc3cc(C(=O)N4CCCC4)c(C)cc23)c1
QED,Modify the molecule O=C(c1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 to have a higher QED value.,O=C(c1ccnc2ccc([N+](=O)[O-])cc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
AtomNum,"There is a molecule with 16 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",O=C(CCNC(=O)NC1CCCCC1)Nc1nc2c(s1)CCC2
BondNum,"There is a molecule with 14 single bonds, 3 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCCc1ccc(C(=O)CCC(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 ester group, and 2 amide groups.",COC(=O)C1Cc2ccccc2CN1C(=O)COc1ccccc1NC(C)=O
AddComponent,Add a benzene ring to the molecule Cc1ccc(CCC(=O)NCCCBr)cc1.,Cc1ccc(CCC(=O)NCC(CBr)c2ccccc2)cc1
SubComponent,Substitute a Nc1cc2oc(-c3cc4c(s3)CCCCC4)nc2cc1Cl in the molecule halo with a hydroxyl.,Nc1cc2oc(-c3cc4c(s3)CCCCC4)nc2cc1O
DelComponent,Please remove a CC(=O)N1CCc2cc(NC(=O)c3cc(-c4cccnc4)nc4c3cnn4Cc3ccco3)ccc21 from the molecule amide.,O=C(Nc1ccc2c(c1)CC2)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1
LogP,Please optimize the molecule CC=CC=CCCC[NH+](C)CCO to have a lower LogP value.,CC=CC=CCCC[NH+](C)C(N)CO
MR,Modify the molecule CC(C)C(=O)Nc1cc(C(C)C)cc(F)n1 to have a higher MR value.,CC(C)C(=O)Nc1cc(C(C)C)cc(NO)n1
QED,Modify the molecule [NH3+]CCC1CCCn2cc(C3CC3)[nH+]c21 to have a higher QED value.,[NH3+]CCC1CCCn2c1[nH+]c(C1CC1)c2O
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(COCc1ccccc1Cl)Nc1ccnn1Cc1ccccc1
BondNum,"There is a molecule consisting of 4 single bonds, 1 double bond, 1 rotatable bond, and 10 aromatic bonds.",O=[N+]([O-])c1cc(Br)c2ccsc2c1I
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amine group, 1 nitro group, and 3 halo groups.",O=[N+]([O-])c1cc(F)cc(Nc2cc(F)ccc2Cl)c1
AddComponent,Modify the molecule N#Cc1ccc(=O)[nH]c1C1CCCC1 by adding a amine.,N#Cc1ccc(=O)[nH]c1C1CCCC1N
SubComponent,Substitute a CC1CCc2sc(C(=O)Nc3ccccc3S(=O)(=O)C(F)F)cc2C1 in the molecule halo with a carboxyl.,CC1CCc2sc(C(=O)Nc3ccccc3S(=O)(=O)C(F)C(=O)[OH])cc2C1
DelComponent,Modify the molecule amide by removing a CC=C(C)C1OC(=O)C(C)NC(=O)C(C(C)CC)NC(=O)CN(C)C(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC(=O)C(CC(C)C)OC(=O)C(C)=CCC(OC(=O)NCCCNC(=O)CCCCCN2C(=O)C=CC2=O)C1C.,CC=C(C)C1OC(=O)C(C)N(C(C)CC)C(=O)CN(C)C(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC(=O)C(CC(C)C)OC(=O)C(C)=CCC(OC(=O)NCCCNC(=O)CCCCCN2C(=O)C=CC2=O)C1C
LogP,Please optimize the molecule COc1cc(OC)c(OC)cc1C=CC(=O)c1ccc(F)c(F)c1 to have a higher LogP value.,COc1cc(OC)c(OC)cc1C=CC(=O)c1ccc(S)c(F)c1
MR,Please modify the molecule CC(C)C(NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCC3)c2)CC1)C(=O)Nc1ccc(Cl)cc1C(=O)NC1CCCCC1 to decrease its MR value.,CC(C)C(NC(=O)C1CC[NH+](C(C)C(=O)Nc2c-c(Cl)(C3CCCC3)cc2)CC1)C(=O)Nc1ccc(Cl)cc1C(=O)NC1CCCCC1
QED,Modify the molecule CCOc1cc(C#N)ccc1OC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 to decrease its QED value.,CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2ccc(C#N)cc2OCCc2ccccc2)c1
AtomNum,"Please generate a molecule with 20 carbon atoms, 9 oxygen atoms, and 4 nitrogen atoms.",CCC(C)C(NC(=O)C1CCC[NH2+]1)C(=O)NC(CCC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)[O-]
BondNum,"The molecule consists of 13 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)(CCO)NC(=O)c1ccc2c(c1)NC(=O)CS2
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 amide group, 1 thioether group, and 1 sulfide group.",CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OC
AddComponent,Add a hydroxyl to the molecule CN(CCc1ccccn1)S(=O)(=O)c1ccc(Cl)s1.,CN(C(O)Cc1ccccn1)S(=O)(=O)c1ccc(Cl)s1
SubComponent,Please substitute a halo in the molecule OCC(OC(F)(F)C(F)(OC(F)(F)C(F)(F)CO)C(F)(F)F)C(F)(F)F with a hydroxyl.,OCC(OC(O)(F)C(F)(OC(F)(F)C(F)(F)CO)C(F)(F)F)C(F)(F)F
DelComponent,Modify the molecule COc1ccc2c(c1)c1c(n2CO)C[NH+]2CCc3cc(OC)c(OCc4ccc(-n5cccn5)cc4)cc3C2C1 by removing a hydroxyl.,COc1ccc2c(c1)c1c(n2C)C[NH+]2CCc3cc(OC)c(OCc4ccc(-n5cccn5)cc4)cc3C2C1
LogP,Please modify the molecule COC(=O)c1cc(OC2CC(C)OC(C)C2)c(F)cc1N to decrease its LogP value.,COC(=O)c1cc(OC2CC(C)OC(CN)C2)c(F)cc1N
MR,Please optimize the molecule C=CCOCC(O)C[NH+](Cc1ccsc1)Cc1ccco1 to have a lower MR value.,C=CCOCCC[NH+](Cc1ccsc1)Cc1ccco1
QED,Please optimize the molecule CC[NH2+]C(CC[NH+](C)CC1CCCOC1)c1ccccc1 to have a lower QED value.,CC[NH2+]CCC[NH+](C)CC1CCCOC1
AtomNum,"The molecule has 20 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 2 fluorine atoms.",O=C([O-])C=Cc1c(-c2ccc(F)cc2)n(CCF)c(=O)c2ccccc12
BondNum,"The molecule contains 16 single bonds, 2 double bonds, and 9 rotatable bonds.",COC(C)CCC(=O)N(CCC(N)=[NH+]O)CC(C)C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 ester group, 1 amine group, 1 thioether group, and 1 sulfide group.",CCC(Sc1ccccc1N)C(=O)OC1CCCCC1
AddComponent,Please add a benzene ring to the molecule CC(C)=CCCC(C)=CCCC(C)=CC(C)CC(C)=CCCC(C)=CCCC(C)=CCO.,CC(C)=CCCC(C)=CCCC(C)=CC(C)CC(C)=CCC(C(C)=CCCC(C)=CCO)c1ccccc1
SubComponent,Modify the molecule hydroxyl by substituting a Cc1ccc(-c2csc3nc(C(Cl)=Cc4cccc(O)c4)[nH]c(=O)c23)s1 with a aldehyde.,CC(=O)c1cccc(C=C(Cl)c2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)c1
DelComponent,Please remove a benzene ring from the molecule CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2NNC(CC)C2C)C1.,CCNC(=O)C1(Cc2ccccc2)CCN(C(=O)C2NNC(CC)C2C)C1
LogP,Modify the molecule CC1Cc2ccccc2N1c1ccc(C(=O)N(C)c2ccc(O)cc2)cn1 to have a lower LogP value.,CN(C(=O)c1ccc(N2c3ccccc3CC2CO)nc1)c1ccc(O)cc1
MR,Modify the molecule CC(=O)NCCNc1cc(N2CCN(C(=O)C3=CCCCC3)CC2)nc(-c2ccccc2)n1 to decrease its MR value.,CCNc1cc(N2CCN(C(=O)C3=CCCCC3)CC2)nc(-c2ccccc2)n1
QED,Please modify the molecule CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(OCc2ccccc2)c1 to decrease its QED value.,CC(C)(CC#N)c1ccccc1OCC(=O)Nc1cccc(OCc2ccccc2)c1
AtomNum,"The molecule consists of 12 carbon atoms, and 8 nitrogen atoms.",CNc1cn2ccnc2c(NCCCn2ccnn2)n1
BondNum,"There is a molecule with 8 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CCC(C)c1ccc(N(C)C)c(Br)c1
FunctionalGroup,"Please generate a molecule with 2 amine groups, and 3 halo groups.",ClC(Cl)(Cl)C1=[NH+]CN=CN1
AddComponent,Modify the molecule CCOc1cc(OC)c(F)cc1F by adding a hydroxyl.,COc1cc(OCCO)c(F)cc1F
SubComponent,Please substitute a hydroxyl in the molecule CCCCCCCCC=CCCCCCCCCN([O-])C(C)(O)O with a thiol.,CCCCCCCCC=CCCCCCCCCN([O-])C(C)(O)S
DelComponent,Remove a hydroxyl from the molecule CCCC(O)C#Cc1cccc2cccc(I)c12.,CCCCC#Cc1cccc2cccc(I)c12
LogP,Please modify the molecule O=C(NC1CC1)NC(C(=O)N1CCCCC1)c1ccccc1 to decrease its LogP value.,O=C(NC1CC1)NC(C(=O)N1CCCC(O)C1)c1ccccc1
MR,Optimize the molecule CC(CC(=O)[O-])c1cccc(-c2cccc(-c3cc(=O)n([O-])c4ncccc34)c2)c1 to have a lower MR value.,CC(CC(=O)[O-])c1cccc(-c2cc(=O)n([O-])c3ncccc23)c1
QED,Please optimize the molecule CCCC1SCC(C(=O)[O-])N1C(=O)N1CCCC1C to have a higher QED value.,CC(CC1SCC(C(=O)[O-])N1C(=O)N1CCCC1C)c1ccccc1
AtomNum,"There is a molecule consisting of 15 carbon atoms, and 5 nitrogen atoms.",Cn1ccnc1CNc1cc(C#N)c2ccccc2n1
BondNum,"There is a molecule with 17 single bonds, 1 double bond, 5 rotatable bonds, and 16 aromatic bonds.",Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCCC(c2nncn2C2CC2)C1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, 1 amine group, 1 thioether group, and 1 sulfide group.",CSC1=[NH+]C(C)CC(O)N1c1ccccc1
AddComponent,Please add a hydroxyl to the molecule O=C(c1cccc(-n2cnnn2)c1)N1CCC(N2C(=O)CNC2=O)CC1.,O=C(c1cccc(-n2cnnn2)c1)N1CCC(N2C(=O)CNC2=O)CC1O
SubComponent,Modify the molecule C[NH+]=C(NCCC(=O)NCc1ccccc1)NCCc1cccc(Cl)c1 by substituting a halo with a hydroxyl.,C[NH+]=C(NCCC(=O)NCc1ccccc1)NCCc1cccc(O)c1
DelComponent,Modify the molecule amine by removing a Cn1ccnc1S(=O)(=O)Nc1scnc1C(=O)[O-].,Cn1ccnc1S(=O)(=O)c1scnc1C(=O)[O-]
LogP,Modify the molecule CCOc1ccc(Br)cc1C=CC(=O)c1cn(CC)nc1C to have a lower LogP value.,CCOc1ccc(NO)cc1C=CC(=O)c1cn(CC)nc1C
MR,Modify the molecule CCCCN(CC(F)(F)F)C(=O)C1[NH2+]CC2CCCC21 to increase its MR value.,CCCCN(CC(F)(F)F)C(=O)C1[NH2+]CC2CCCC21C(=O)O
QED,Modify the molecule COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1C(=O)c1nc2cc(C#N)ccc2n1COCC[Si](C)(C)C to increase its QED value.,COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1C(=O)c1nc2ccccc2n1COCC[Si](C)(C)C
AtomNum,"The molecule contains 18 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C)cc2C)cc1
BondNum,"There is a molecule with 10 single bonds, 5 rotatable bonds, and 12 aromatic bonds.",COc1ccc(Br)c(C(C[NH3+])N(C)c2cccc(F)c2)c1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 1 amine group.",Cn1c(=O)c2c(nc(NCCO)n2Cc2ccccc2)n(C)c1=O
AddComponent,Please add a benzene ring to the molecule Cc1cc(Br)ccc1NCCC(=O)[O-].,Cc1cc(Br)ccc1NC(CC(=O)[O-])c1ccccc1
SubComponent,Modify the molecule halo by substituting a Nc1ncccc1NCc1cccc(NC(=O)c2cnc(Cl)cn2)c1 with a carboxyl.,Nc1ncccc1NCc1cccc(NC(=O)c2cnc(C(=O)[OH])cn2)c1
DelComponent,Please remove a hydroxyl from the molecule CCn1nccc1C(O)Cc1ccnc(N)c1.,CCn1nccc1CCc1ccnc(N)c1
LogP,Modify the molecule CCCn1c(=O)c(C(=O)N(C)CC)nn(-c2ccc(OC)cc2)c1=O to decrease its LogP value.,CCCn1c(=O)c(C(=O)N(C)CC)nn(OC)c1=O
MR,Modify the molecule COc1cc2nc(CC#N)n(C3CC3)c2cc1OC to increase its MR value.,COc1cc2nc(CC(=O)[OH])n(C3CC3)c2cc1OC
QED,Please optimize the molecule CN1C=C(c2ccccc2)OC1=C(C#N)C1C(=O)C(=C(C#N)c2oc(-c3ccccc3)c[n+]2C)C1=O to have a higher QED value.,CN1C=C(c2ccccc2)OC1=C(C#N)C1C(=O)C(=C(C#N)c2occ[n+]2C)C1=O
AtomNum,"Please generate a molecule with 26 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 fluorine atom.",CCCCCCCCCCC1CCCCC1CCCOc1ccc(C#N)c(F)c1
BondNum,"There is a molecule consisting of 8 single bonds, 1 double bond, 5 rotatable bonds, and 18 aromatic bonds.",Cc1ccc(NC(=O)c2cnc(NCc3ccccc3F)nc2)cc1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 ester group, and 1 sulfone group.",COC(=O)c1ccc2ccn(Cc3cccc(CS(C)(=O)=O)c3)c2c1C
AddComponent,Please add a benzene ring to the molecule CC1OCC(O)C(O)C1OC1CCCCO1.,CC1OCC(O)C(O)C1OC1OCCCC1c1ccccc1
SubComponent,Please substitute a halo in the molecule CCN(C(=O)c1cccc(F)c1NC)c1cccc(F)c1 with a nitro.,CCN(C(=O)c1cccc(NO)c1NC)c1cccc(F)c1
DelComponent,Remove a benzene ring from the molecule COc1ccc(COCC(O)C[NH+]2CC(C)CCC2C)cc1.,COCOCC(O)C[NH+]1CC(C)CCC1C
LogP,Modify the molecule COc1cc(C(=O)N2CC(O)CC2c2cccc(C(=O)NCC3CC3)c2)ccc1Br to have a lower LogP value.,COc1cc(C(=O)N2CC(NO)CC2c2cccc(C(=O)NCC3CC3)c2)ccc1Br
MR,Optimize the molecule CCC[NH2+]C(CC[NH+]1CCC(C)CC1)c1ccccc1Cl to have a higher MR value.,CCC[NH2+]C(CC[NH+]1CCC(CC(=O)O)CC1)c1ccccc1Cl
QED,Modify the molecule CC([NH3+])(CO)CCCSc1cc(Cl)ccc1Cl to have a lower QED value.,CC([NH3+])(CO)CCC(S)Sc1cc(Cl)ccc1Cl
AtomNum,"There is a molecule consisting of 23 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCc1cccc2c(CCNC(=O)Cn3ccc4cc(OC)ccc43)c[nH]c12
BondNum,"The molecule contains 8 single bonds, 4 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",Cc1ccc2cc(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1
FunctionalGroup,"The molecule consists of 1 ester group, 1 amide group, and 3 halo groups.",COC(=O)C(C)CN(Cc1ccncc1)C(=O)C(F)(F)F
AddComponent,Add a amine to the molecule O=S(=O)(c1c[nH]c(CO)c1)N1CCC([NH+]2CCOCC2)C1.,Nc1c(S(=O)(=O)N2CCC([NH+]3CCOCC3)C2)c[nH]c1CO
SubComponent,Modify the molecule CC1(C)Oc2c(CCl)cc(Cl)cc2C1(O)O by substituting a halo with a aldehyde.,CC(=O)Cc1cc(Cl)cc2c1OC(C)(C)C2(O)O
DelComponent,Please remove a amide from the molecule Cn1cc(-c2[nH]ncc2C(=O)NC2CCC3(CCCCC3)CC2)cn1.,Cn1cc(-c2(C3CCC4(CCCCC4)CC3)[nH]nc-2)cn1
LogP,Modify the molecule Clc1ccccc1-c1ccc2c(ccn2-c2cccnc2)c1 to decrease its LogP value.,ONc1ccccc1-c1ccc2c(ccn2-c2cccnc2)c1
MR,Modify the molecule CC(C)C1CCC(O)(c2ccc(Cl)s2)CC1 to decrease its MR value.,CC(C)C1CCC(O)(c2ccc(O)s2)CC1
QED,Please modify the molecule COCCC[SiH]1CCC(c2ccc(F)cc2)CC1 to decrease its QED value.,COCCC[SiH]1CCC(c2ccc(NO)cc2)CC1
AtomNum,"There is a molecule composed of 20 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 fluorine atom.",O=C1CCC2(O)C3Cc4ccc(F)c5c4C2(CC[NH+]3CC2CC2)C1O5
BondNum,"There is a molecule with 16 single bonds, 1 double bond, 7 rotatable bonds, and 11 aromatic bonds.",COCCOCC(=O)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 2 amine groups.",S=C(NCc1ccc[nH]1)Nc1ccc(N2CCOCC2)cc1
AddComponent,Modify the molecule CC(C)(O)CNc1nc(-c2ccccc2CO)cn2c(-c3ccc(C(N)=O)c(C4CC4)c3)c[nH+]c12 by adding a benzene ring.,CC(C)(O)CNc1nc(-c2ccc(-c3ccccc3)cc2CO)cn2c(-c3ccc(C(N)=O)c(C4CC4)c3)c[nH+]c12
SubComponent,Modify the molecule halo by substituting a CC([NH3+])Cc1nc(-c2cccc(F)c2F)cs1 with a thiol.,CC([NH3+])Cc1nc(-c2cccc(S)c2F)cs1
DelComponent,Please remove a halo from the molecule CCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl.,CCCCN1CN(Cc2ccc3ccccc3c2)C=C1Cl
LogP,Optimize the molecule COC(=O)c1occc1CSc1nc2ccccc2n1C(F)F to have a lower LogP value.,COC(=O)c1occc1CSc1nc2ccccc2n1C(O)F
MR,Please optimize the molecule COC(=O)C(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)Nc1ccccc1S(=O)(=O)NCC1CCCCC1 to have a lower MR value.,COC(=O)C(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)NS(=O)(=O)NCC1CCCCC1
QED,Please optimize the molecule O=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cccn(Cc2ccccc2)c1=O to have a lower QED value.,N#CC(F)(F)c1cccc(C(CN2CCCC2=O)NC(=O)c2cccn(Cc3ccccc3)c2=O)c1
AtomNum,"There is a molecule consisting of 13 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",CC1CCCN(c2ccc(F)c(N)c2C(=O)[O-])C1
BondNum,"The molecule is composed of 12 single bonds, 1 double bond, 5 rotatable bonds, and 10 aromatic bonds.",CCOCC1(C(=O)c2cc3cc(F)ccc3s2)CC[NH2+]C1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 hydroxyl group, 1 amine group, and 3 halo groups.",COc1ccccc1OCC(O)CNCCC(F)(F)F
AddComponent,Add a benzene ring to the molecule CCC(=O)c1ccc(OCC(=O)NCc2cccc(NC(=O)C[NH+](C)C)c2)cc1.,CCC(=O)c1ccc(OCC(=O)NCc2cccc(NC(=O)C[NH+](C)C)c2-c2ccccc2)cc1
SubComponent,Modify the molecule NC(=O)C(NC(=O)C1(NC(=O)C2(NC(=O)C(=O)[O-])CCc3cc([P+]([O-])([O-])O)ccc3C2)CCCCC1)C(=O)NCCCc1cccc2ccccc12 by substituting a hydroxyl with a nitro.,NC(=O)C(NC(=O)C1(NC(=O)C2(NC(=O)C(=O)[O-])CCc3cc([P+]([O-])([O-])NO)ccc3C2)CCCCC1)C(=O)NCCCc1cccc2ccccc12
DelComponent,Remove a O=C1NNC(C(=O)NCc2ccc3c(c2)OCCO3)C2CCCCC12 from the molecule amide.,O=C(NCc1ccc2c(c1)OCCO2)C1C2CCCCN21
LogP,Optimize the molecule CC(C)(C)C1CCC(C(O)c2cncc(F)c2)CC1 to have a higher LogP value.,CC(C)(C)C1CCC(c2ccccc2)(C(O)c2cncc(F)c2)CC1
MR,Please modify the molecule COCC(C)N(C)S(=O)(=O)c1ccc(OC)c(Br)c1 to increase its MR value.,COCC(C)N(C)S(=O)(=O)c1ccc(OCO)c(Br)c1
QED,Optimize the molecule N#CC1CC(=O)N(C23CC4CC(CC(C4)C2)C3)C1 to have a lower QED value.,O=C1CC(Cl)CN1C12CC3CC(CC(C3)C1)C2
AtomNum,"Please generate a molecule composed of 25 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CN(CC1CCCCC1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
BondNum,"Please generate a molecule consisting 14 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CSc1nnc(SCC(=O)N(c2ccccc2)C2CCCCC2)s1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 sulfide group.",CCOCCn1c(=NC(=O)CCOc2ccccc2)sc2cc(C)ccc21
AddComponent,Add a amine to the molecule Cc1ccccc1CS(=O)(=O)N1CCN(C(=O)C(C)C)CC1.,Cc1ccccc1CS(=O)(=O)N1CCN(C(=O)C(C)C)C(N)C1
SubComponent,Modify the molecule halo by substituting a CC(CNC(=O)CSc1nnc(-c2ccc(F)cc2)n1N)c1ccccc1 with a thiol.,CC(CNC(=O)CSc1nnc(-c2ccc(S)cc2)n1N)c1ccccc1
DelComponent,Remove a Cc1nc(C(=O)Nc2cccc(Cl)c2)cc(N2CCCCCC2)n1 from the molecule halo.,Cc1nc(C(=O)Nc2ccccc2)cc(N2CCCCCC2)n1
LogP,Please optimize the molecule COc1cccc(-c2noc(C3CCCCN3C(=O)c3ccc(Cl)cc3)n2)c1 to have a lower LogP value.,COc1cccc(-c2noc(C3CCCCN3C(=O)c3ccc(Cl)cc3)n2)c1C(=O)O
MR,Modify the molecule CC[NH+]1CC2C(C1)C2NC(=O)C(O)(c1ccccc1)C1CCCCC1 to have a higher MR value.,CC[NH+]1CC2C(C1)C2NC(=O)C(Br)(c1ccccc1)C1CCCCC1
QED,Please optimize the molecule O=C1COCC(=O)N1c1ccnc(Cl)c1 to have a higher QED value.,O=C(O)c1c(N2C(=O)COCC2=O)ccnc1Cl
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 1 sulfur atom.",COc1ccc(CC(=O)NCCc2nn3c(C4CC4)nnc3s2)cc1OC
BondNum,"Please generate a molecule with 9 single bonds, 6 rotatable bonds, and 17 aromatic bonds.",Cn1nnnc1NCc1ccc(OCc2c(Cl)cccc2Cl)cc1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 2 amide groups, 2 thioether groups, 1 sulfide group, and 1 sulfone group.",CSCCC(NC(=O)c1cccc(C)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
AddComponent,Modify the molecule Cc1cc(C)cc(C(=O)N2CC(c3nc(-c4cccnc4N(C)C)no3)C2)c1 by adding a amine.,Cc1cc(C)c(N)c(C(=O)N2CC(c3nc(-c4cccnc4N(C)C)no3)C2)c1
SubComponent,Modify the molecule halo by substituting a [NH3+]Cc1cc(-c2ccc(F)c(C(F)(F)F)c2)ccc1Cl with a nitrile.,N#Cc1ccc(-c2ccc(Cl)c(C[NH3+])c2)cc1C(F)(F)F
DelComponent,Remove a amine from the molecule CCOC(=O)c1cccc(CCC(C)C)c1N.,CCOC(=O)c1cccc(CCC(C)C)c1
LogP,Please modify the molecule N#Cc1cc2[nH]c(CC[NH3+])cc2o1 to increase its LogP value.,[NH3+]CCc1cc2oc(S)cc2[nH]1
MR,Please modify the molecule Cc1cc(C(N)=[NH+]O)nc(N(CC2CC2)C(C)C)n1 to decrease its MR value.,Cc1cc(C(=[NH+])N)nc(N(CC2CC2)C(C)C)n1
QED,Modify the molecule NC(=O)c1ccc(N=Cc2ccc(O)c(O)c2O)cc1 to have a lower QED value.,NC(=O)c1ccc(N=Cc2ccc(S)c(O)c2O)cc1
AtomNum,"There is a molecule composed of 14 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CCOCCCNC(=O)OCc1ccccc1C
BondNum,"There is a molecule with 9 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccc(NCC(C(=O)[O-])c2ccccc2)cc1Br
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 2 amide groups.",C[NH2+]C(C)CNC(=O)c1ccc(C2(C)NC(=O)NC2=O)cc1
AddComponent,Modify the molecule CCCC(=O)Nc1ccc(C(=O)NC(CC)CO)cc1 by adding a hydroxyl.,CCCC(=O)Nc1ccc(C(=O)NC(O)(CC)CO)cc1
SubComponent,Please substitute a COC(=O)C(C)NS(=O)(=O)c1cc(N)c(C)c(F)c1 in the molecule halo with a hydroxyl.,COC(=O)C(C)NS(=O)(=O)c1cc(N)c(C)c(O)c1
DelComponent,Please remove a halo from the molecule COc1c(Cl)cc(C([O-])=C2C(=O)C(=O)N(c3ccccc3C)C2c2ccc(N(C)C)cc2)c(OC)c1Cl.,COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3C)C2c2ccc(N(C)C)cc2)c(OC)c1Cl
LogP,Please optimize the molecule COCC(C)(O)Cc1[nH+]ccn1C to have a higher LogP value.,COCC(C)Cc1[nH+]ccn1C
MR,Modify the molecule CCOC(=O)C(CCC[NH+](C)CCc1ccc(OC)c(OC)c1)(C(=O)OC)c1ccc(CO)c(CO)c1 to have a lower MR value.,CCOC(=O)C(CCC[NH+](C)CC(OC)OC)(C(=O)OC)c1ccc(CO)c(CO)c1
QED,Optimize the molecule C=Cc1cccc(C2(C)CC[NH+](CCCCCC)CC2C)c1 to have a lower QED value.,C=CC1(C)CC[NH+](CCCCCC)CC1C
AtomNum,"The molecule has 28 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCCCCCCCCCCOc1ccc(CN(Cc2ccc[n+](C)c2)S(C)(=O)=O)cc1OC
BondNum,"There is a molecule with 19 single bonds, 2 double bonds, 10 rotatable bonds, and 17 aromatic bonds.",COc1cc(CC(=O)N2CCCC2c2cc(CCC(=O)[O-])on2)ccc1OCc1ccc(Cl)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 halo group, and 2 sulfone groups.",O=S(=O)([O-])CCS(=O)(=O)OCCc1nnn(-c2cccc(I)c2)n1
AddComponent,Modify the molecule FC(F)(F)COc1ccccc1NCc1ccc(Br)cn1 by adding a carboxyl.,O=C(O)C(Nc1ccccc1OCC(F)(F)F)c1ccc(Br)cn1
SubComponent,Please substitute a halo in the molecule CCC[NH+]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1 with a thiol.,CCC[NH+]1CCN(S(=O)(=O)c2cc(S)ccc2OC)CC1
DelComponent,Please remove a benzene ring from the molecule COC(=O)C=Cc1ccc(-c2nc(-c3ccc4oc5c(C(=O)OC)cccc5c4c3)cs2)cc1.,COC(=O)C=Cc1nc(-c2ccc3oc4c(C(=O)OC)cccc4c3c2)cs1
LogP,Modify the molecule COc1cccc(C(=O)N2CCN(c3ccc(NC(=O)CSc4nnc(-c5ccncc5)o4)cc3)CC2)c1 to increase its LogP value.,COc1cccc(C(=O)N2CCN(c3ccc(Sc4nnc(-c5ccncc5)o4)cc3)CC2)c1
MR,Modify the molecule C=C1C=CC=CCC2=C(C=C1N(c1ccccc1)c1cccc3c1oc1c(C(C)(C)C)cccc13)C(C)(C)c1cc3cc(N(c4ccccc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc3cc12 to have a lower MR value.,C=C1C=CC=CCC2=C(C=C1Nc1cccc3c1oc1c(C(C)(C)C)cccc13)C(C)(C)c1cc3cc(N(c4ccccc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc3cc12
QED,Please optimize the molecule COCc1nc(OC)c2c(C)c(C(=O)N3CCCC(c4nc(-c5cccc(F)c5)no4)C3)sc2n1 to have a higher QED value.,COCc1nc(OC)c2c(C)c(C(=O)N3CCCC(c4nc(-c5ccccc5)no4)C3)sc2n1
AtomNum,"The molecule is composed of 14 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 chlorine atoms.",CC(Cl)C(=O)Nc1nnc(CCCOc2ccc(Cl)cc2Cl)s1
BondNum,"The molecule is composed of 10 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",O=C(NC1CCCC(O)C1)c1c[nH]ccc1=O
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",C[NH+](C)CC1CC(O)CN1C(=O)C([NH3+])c1ccccc1
AddComponent,Modify the molecule CCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O by adding a hydroxyl.,CCNC(=O)C(Cc1ccccc1)N(Cc1c(O)cccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O
SubComponent,Modify the molecule halo by substituting a C[NH2+]C(CCOC)c1c(Cl)cnn1CCOC with a nitro.,C[NH2+]C(CCOC)c1c(NO)cnn1CCOC
DelComponent,Remove a benzene ring from the molecule O=C(CCCCC1SCC2NC(=O)NC21)NCCC[NH+](CCCN1CC[NH+](C2CCCCC2)CC1)CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1.,O=C(CCCCC1SCC2NC(=O)NC21)NCCC[NH+](CCCN1CC[NH+](C2CCCCC2)CC1)CC(=O)NC(=O)c1ccccc1
LogP,Modify the molecule CCN(CC)c1ccc(NC(=O)C2CC(=O)N(Cc3ccncc3)C2)cc1 to decrease its LogP value.,CCN(CC)NC(=O)C1CC(=O)N(Cc2ccncc2)C1
MR,Please optimize the molecule CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 to have a higher MR value.,CN(CC(=O)NC12CC3CC(C1)C(c1ccccc1)C(C3)C2)c1ccccc1
QED,Modify the molecule CC(C)n1nccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1 to have a lower QED value.,CC(=O)c1cc2c(cc1-c1ccc(NC(=O)c3ccnn3C(C)C)nc1)OC(F)(F)O2
AtomNum,"Please generate a molecule consisting 16 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CCCOc1cccc2c1nc(N)n2CC1CCCCS1
BondNum,"There is a molecule consisting of 15 single bonds, 3 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",O=C(C[NH+]1CCN(Cc2ccccc2Cl)CC1)NN=CC=Cc1ccco1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, and 3 halo groups.",O=C([O-])CCN(C(=O)COc1cccc(C(F)(F)F)c1)C1CCOCC1
AddComponent,Add a benzene ring to the molecule CCc1ccc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1S(N)(=O)=O.,CCc1ccc(NC(=O)c2ccc(-c3ccccc3)c(NC(=O)C3CCCCC3)c2)cc1S(N)(=O)=O
SubComponent,Please substitute a halo in the molecule CC[NH+]1CCOC(CNc2cc(Br)c(F)cc2N)C1 with a aldehyde.,CC(=O)c1cc(NCC2C[NH+](CC)CCO2)c(N)cc1F
DelComponent,Remove a C=Cc1ccc(CCC(C)(C(=O)OC(C)(C)C)S(C)(=O)=O)cc1 from the molecule benzene ring.,C=CCCC(C)(C(=O)OC(C)(C)C)S(C)(=O)=O
LogP,Modify the molecule O=C(C[NH2+]CC1CC1)N1CCC2CCCCC21 to increase its LogP value.,C1CCC2C(C1)CC2[NH2+]CC1CC1
MR,Modify the molecule CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(OC)cc(OC)c2)cc1OCC to have a higher MR value.,CCOc1ccc(NC(=O)C(CC=O)N(C)C(=O)c2cc(OC)cc(OC)c2)cc1OCC
QED,Modify the molecule Cc1cc(N(C)c2ccccc2)nc(N2CCN(C(=O)c3ccco3)CC2)n1 to increase its QED value.,CNc1cc(C)nc(N2CCN(C(=O)c3ccco3)CC2)n1
AtomNum,"The molecule consists of 17 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",C#CCOc1ccccc1C[NH2+]CCN(CC)CCC
BondNum,"Please generate a molecule composed of 11 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)NC(=O)C[NH2+]Cc1ccc(Cl)cc1Br
FunctionalGroup,"There is a molecule with 1 ketone group, and 1 halo group.",CCc1nn(CC)c(CC(=O)c2cn(CC[NH3+])cn2)c1Br
AddComponent,Please add a benzene ring to the molecule N#CCC(=O)NCc1ccc(Cl)cc1Cl.,N#CCC(=O)NCc1c(Cl)cc(Cl)cc1-c1ccccc1
SubComponent,Please substitute a halo in the molecule Cc1cc(C(=O)Nc2ccccc2F)ccc1NC(=O)C(C)NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2C)CC1 with a aldehyde.,CC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4ccc(F)c(F)c4)cc3C)CC2)c(C)c1
DelComponent,Please remove a amine from the molecule CCN1CC(=O)N(C(C)(C)CCNC(=S)NCCCNC(=S)NCCC(C)(C)N2C(=O)CN(CC)C2=S)C1=S.,CCN1CC(=O)N(C(C)(C)CCNC(=S)NCCCNC(=S)CCC(C)(C)N2C(=O)CN(CC)C2=S)C1=S
LogP,Modify the molecule N#CCPS(=O)(=O)[O-] to decrease its LogP value.,O=C([OH])CPS(=O)(=O)[O-]
MR,Modify the molecule COC(=O)C1CN(c2nc(N)ns2)CCO1 to have a higher MR value.,COC(=O)C1CN(c2nc(N)ns2)C(O)CO1
QED,Please optimize the molecule C=C(CCc1ccccc1)CNN to have a lower QED value.,C=C(CC)CNN
AtomNum,"The molecule contains 13 carbon atoms, 5 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 4 fluorine atoms.",CC1=C(C)C(=O)N(OS(=O)(=O)c2c(F)c(F)c(C)c(F)c2F)C1=O
BondNum,"Please generate a molecule consisting 11 single bonds, 3 rotatable bonds, and 6 aromatic bonds.",CCc1nccc(CC2CN(C)CC[NH2+]2)n1
FunctionalGroup,"The molecule has 5 halo groups, 1 sulfide group, and 1 sulfone group.",O=S(=O)(Cl)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1
AddComponent,Please add a benzene ring to the molecule CC(C(N)=[NH+]O)[NH+]1CCCC(CO)C1.,CC(C(N)=[NH+]O)[NH+]1CCC(c2ccccc2)C(CO)C1
SubComponent,Modify the molecule halo by substituting a CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1COC(=O)c1ccccc1Br with a thiol.,CC(C)c1nc2c(S)cc(C(F)(F)F)cn2c1COC(=O)c1ccccc1Br
DelComponent,Modify the molecule benzene ring by removing a CCCCCCCCCCCCCCCCOc1ccc(-c2ccccc2C2CC(C(=O)[O-])C(CCCCCCCCCC)(CCCCCCCCCC)OC2=O)cc1.,CCCCCCCCCCCCCCCCOc1ccccc1C1CC(C(=O)[O-])C(CCCCCCCCCC)(CCCCCCCCCC)OC1=O
LogP,Please modify the molecule CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 to increase its LogP value.,CC(C)(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccc(Cl)c(Cl)c1
MR,Modify the molecule CCc1ccc(C(=O)Nc2c(C)cccc2N)o1 to increase its MR value.,CCc1ccc(C(=O)Nc2c(C)cc(O)cc2N)o1
QED,Modify the molecule COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCOC(C)C2)cc1 to decrease its QED value.,COc1n[nH]c(=S)n1CCC(=O)N1CCOC(C)C1
AtomNum,"The molecule consists of 19 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",COc1ccccc1N1CCC(N2C3CC[NH2+]CC2CC3)CC1
BondNum,"The molecule contains 9 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",CN(C(=O)c1ccc(C(=O)[O-])nc1)C(C)(C)C
FunctionalGroup,The molecule has and 1 sulfide group.,Cc1nc2c(N(CC[NH+](C)C)Cc3sccc3C)ncnc2o1
AddComponent,Please add a aldehyde to the molecule Cc1cc(S(=O)(=O)NCC2(CO)CCCC2)cc(N)c1Cl.,Cc1cc(S(=O)(=O)NCC2(CO)CCCC2)c(CC=O)c(N)c1Cl
SubComponent,Please substitute a halo in the molecule CCC1CCN1S(=O)(=O)CC1CCCCC1(F)F with a nitrile.,CCC1CCN1S(=O)(=O)CC1CCCCC1(F)C#N
DelComponent,Please remove a benzene ring from the molecule COC(=O)C(Cc1ccccc1)N1CCN2c3ccccc3C3=[C+]C=CC=C3C21.,COC(=O)C(C)N1CCN2c3ccccc3C3=[C+]C=CC=C3C21
LogP,Please optimize the molecule Oc1ccccc1N1CCN(c2ccccc2O)[Sn]1 to have a higher LogP value.,Oc1ccccc1N1CCN(c2ccccc2)[Sn]1
MR,Please optimize the molecule CCC(CC)c1nc(-c2ccccc2)c(CC(=O)[O-])s1 to have a lower MR value.,CCC(CC)c1ncc(CC(=O)[O-])s1
QED,Optimize the molecule CN(NS(=O)(=O)c1ccc2ccccc2c1)c1ncc(C(F)(F)F)cc1Cl to have a lower QED value.,CN(NS(=O)(=O)c1ccc2cc(-c3ccccc3)ccc2c1)c1ncc(C(F)(F)F)cc1Cl
AtomNum,"The molecule has 10 carbon atoms, 3 oxygen atoms, and 1 silicon atom.",Cc1cc(C(=O)[O-])c(O[Si])c(C)c1C
BondNum,"There is a molecule composed of 6 single bonds, 1 double bond, 3 rotatable bonds, and 10 aromatic bonds.",Cc1c2cccc(Cl)c2nn1CCC(=O)[O-]
FunctionalGroup,The molecule consists of and 1 sulfide group.,CCC[NH2+]C(c1csc(C)n1)c1c(OC)cnn1CCC
AddComponent,Modify the molecule CCOCCCCCc1ccc(C2CCC([NH3+])(COP(=O)([O-])[O-])C2)cc1 by adding a hydroxyl.,CCOCCCCCc1ccc(C2CCC([NH3+])(COP(=O)([O-])[O-])C2)c(O)c1
SubComponent,Please substitute a S=C(NC1CCCC1)N1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 in the molecule halo with a nitrile.,N#Cc1ccc(C[NH+]2CCN(C(=S)NC3CCCC3)CC2)cc1Cl
DelComponent,Modify the molecule Cc1ccc2[nH+]c(C(F)(F)F)cc(N3CCCC[NH2+]CCC3)c2c1 by removing a halo.,Cc1ccc2[nH+]c(C(F)F)cc(N3CCCC[NH2+]CCC3)c2c1
LogP,Optimize the molecule O=C(C=Cc1ccccc1Cl)NCC12CC3CC(CC(C3)C1)C2 to have a lower LogP value.,O=C(C=CCl)NCC12CC3CC(CC(C3)C1)C2
MR,Optimize the molecule O=[N+]([O-])c1nc(Br)n(CC2CCC[NH2+]C2)n1 to have a higher MR value.,NC1[NH2+]CCCC1Cn1nc([N+](=O)[O-])nc1Br
QED,Please optimize the molecule Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 to have a higher QED value.,Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(O)s2)CC1
AtomNum,"Please generate a molecule with 17 carbon atoms, and 3 nitrogen atoms.",CCn1ccnc1C[NH2+]C1CCC(C(C)(C)CC)CC1
BondNum,"There is a molecule with 18 single bonds, 1 double bond, 7 rotatable bonds, and 10 aromatic bonds.",CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2ccc(CSC)o2)CC1
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CCCOc1cccc(CC(=O)NC(C)(CO)C2CC2)c1
AddComponent,Please add a hydroxyl to the molecule [N-]=[N+]=NCC(O)C1CC2CCC1O2.,[N-]=[N+]=NCC(O)C1(O)CC2CCC1O2
SubComponent,Substitute a halo in the molecule COc1cc(C(C)C)cc(-c2cnoc2N)c1Br with a aldehyde.,CC(=O)c1c(OC)cc(C(C)C)cc1-c1cnoc1N
DelComponent,Remove a amine from the molecule C=CC=CC=CC=CC(=CC=C)Nc1cc(=O)n(C)cc1C(=O)[O-].,C=CC=CC=CC=CC(=CC=C)c1cc(=O)n(C)cc1C(=O)[O-]
LogP,Modify the molecule Cc1cc(C)c2occ(CCO)c2c1 to increase its LogP value.,CC(=O)CCc1coc2c(C)cc(C)cc12
MR,Please optimize the molecule Cn1nccc1CNC(=O)c1cccc(COc2ccc(F)cc2F)c1 to have a higher MR value.,Cn1nccc1CNC(=O)c1cccc(COc2cc(C(=O)O)c(F)cc2F)c1
QED,Modify the molecule CCNC(=O)C[NH+]1CCCN(C(=O)c2cc(C(C)C)on2)CC1 to have a higher QED value.,CC[NH+]1CCCN(C(=O)c2cc(C(C)C)on2)CC1
AtomNum,"The molecule consists of 25 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",COc1cccc(-c2cc(C(=O)N(CCC(=O)Nc3ccc(C)cc3)CC(C)C)no2)c1
BondNum,"The molecule has 14 single bonds, 3 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1ccc(F)cc1
FunctionalGroup,The molecule has and 1 halo group.,CCCCCCC([NH2+]CC)c1nc2ccccc2cc1Br
AddComponent,Modify the molecule O=C(c1ccco1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 by adding a hydroxyl.,O=C(c1ccco1)N1CCN(c2ccc(-c3ccccc3O)nn2)CC1
SubComponent,Please substitute a halo in the molecule CCCNc1ccnc(-c2ccc(Br)cc2Cl)n1 with a nitro.,CCCNc1ccnc(-c2ccc(NO)cc2Cl)n1
DelComponent,Modify the molecule hydroxyl by removing a O=C(c1csc(I)c1)N(CCO)C1CCCC1.,CCN(C(=O)c1csc(I)c1)C1CCCC1
LogP,Please optimize the molecule CCC1CCCC(Oc2ccc(C#CCO)cc2C)C1 to have a higher LogP value.,CC#Cc1ccc(OC2CCCC(CC)C2)c(C)c1
MR,Please optimize the molecule Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2F)cn1 to have a higher MR value.,Nc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3S(=O)(=O)N3CCCCC3)cc2F)cn1
QED,Please optimize the molecule C#CCC([NH3+])c1nnc(-c2cc(Cl)ccc2OC)o1 to have a lower QED value.,C#CCC([NH3+])c1nnc(-c2cc(NO)ccc2OC)o1
AtomNum,"The molecule consists of 31 carbon atoms, 13 oxygen atoms, and 7 nitrogen atoms.",CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(=O)[O-])NC(=O)C(CC(=O)[O-])NC(=O)C(C)NC(=O)C([NH3+])CC(=O)[O-])C(N)=O
BondNum,"The molecule consists of 13 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",CC1CCC(C(O)c2cnccc2C(F)(F)F)C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 sulfide group.",Cc1cccc(OCc2nc(=O)c3sccc3[nH]2)c1
AddComponent,Add a benzene ring to the molecule CC(C)(C)C1CCN(C2=[NH+]CC(CBr)S2)C1.,CC(C)(Cc1ccccc1)C1CCN(C2=[NH+]CC(CBr)S2)C1
SubComponent,Please substitute a halo in the molecule Cc1nc(N2CC[NH2+]CC2C(N)=O)ccc1Br with a hydroxyl.,Cc1nc(N2CC[NH2+]CC2C(N)=O)ccc1O
DelComponent,Please remove a amine from the molecule c1cc(C[NH2+]C2NNNN2)c[nH]1.,c1cc(C[NH2+]C2NNN2)c[nH]1
LogP,Please optimize the molecule O=C(c1ccccc1)c1cnnn1OCc1ccccc1 to have a lower LogP value.,O=Cc1cnnn1OCc1ccccc1
MR,Please modify the molecule C=CCOc1ccc(Br)cc1C=C1SC(=O)N(CC(=O)Nc2ccc(OC)cc2)C1=O to decrease its MR value.,C=CCOc1ccc(Br)cc1C=C1SC(=O)N(c2ccc(OC)cc2)C1=O
QED,Please modify the molecule Cc1cc2cc(NC(NC(=O)c3ccc(C(=O)N(C)C)nc3)=[NH+]C3CCCCN(CC(=O)N4CCCC4CNC(=O)c4ccccc4)C3=O)ccc2o1 to increase its QED value.,Cc1cc2cc(NC(NC(=O)c3ccc(C(=O)N(C)C)nc3)=[NH+]C(C(=O)N3CCCC3CNC(=O)c3ccccc3)C3CCC3)ccc2o1
AtomNum,"There is a molecule with 21 carbon atoms, and 1 nitrogen atom.",Cc1ccc(-c2ccccc2)n1-c1ccc2ccccc2c1
BondNum,"There is a molecule composed of 11 single bonds, 2 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",Cc1cc(SCC(=O)OC(C(=O)c2ccccc2)c2ccccc2)c(C)cc1Br
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 amine group, and 1 nitro group.",CC(C)CC(CCO)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1
AddComponent,Add a benzene ring to the molecule CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC.,CCOC(=O)c1nn(-c2ccc(-c3ccccc3)cc2)c(=O)cc1NC
SubComponent,Substitute a halo in the molecule Cn1c(N)nc2cc([N+](C)(Cc3ccc(Cl)cc3)c3ccnc(Nc4ccc(CS(C)(=O)=O)cc4)n3)ccc21 with a aldehyde.,CC(=O)c1ccc(C[N+](C)(c2ccc3c(c2)nc(N)n3C)c2ccnc(Nc3ccc(CS(C)(=O)=O)cc3)n2)cc1
DelComponent,Please remove a benzene ring from the molecule Cc1cc(C(=O)NC2CCCCC2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.,CC(NC(=O)C1CC[NH+](CC(=O)N(C)C(=O)NC2CCCCC2C)CC1)C(=O)Nc1cccc(C(F)(F)F)c1
LogP,Modify the molecule CCCCC(=O)NC(CC)c1ccc(OC)cc1 to decrease its LogP value.,CCCCC(=O)NC(c1ccc(OC)cc1)C(C)O
MR,Please optimize the molecule O=C(NCc1nc2ccccc2[nH]1)C(=O)Nc1cccc(C2SCCS2)c1 to have a lower MR value.,c1cc(NOCc2nc3ccccc3[nH]2)cc(C2SCCS2)c1
QED,Optimize the molecule O=C([O-])N1CCC2(CCN(c3cc[nH+]c(C(F)(F)F)c3)CC2)C1 to have a higher QED value.,O=C([O-])N1CCC2(CCN(c3cc[nH+]c(C(F)F)c3)CC2)C1
AtomNum,"There is a molecule with 17 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CCOC(=O)CC(=O)Nc1cccc(C(=O)N2CCCCC2)c1
BondNum,"The molecule has 20 single bonds, 1 double bond, 8 rotatable bonds, and 12 aromatic bonds.",COCCNC(=O)c1ccc(OC2CC[NH+](Cc3cc(C)c(O)c(C)c3)CC2)c(Cl)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 1 amine group.",Nc1ccc(CCC(=O)NCCn2ccnn2)cc1
AddComponent,Add a hydroxyl to the molecule CCC(CCCC(=O)CCCl)C(=O)[O-].,CCC(CCCC(=O)C(O)CCl)C(=O)[O-]
SubComponent,Substitute a halo in the molecule CCN(CC(F)(F)F)S(=O)(=O)c1cccc2c1CCCN2 with a aldehyde.,CC(=O)C(F)(F)CN(CC)S(=O)(=O)c1cccc2c1CCCN2
DelComponent,Please remove a COc1ccc(NC(=O)C(C)(C)CO)cc1 from the molecule amide.,CCC(O)c1ccc(OC)cc1
LogP,Please optimize the molecule CC(Nc1cnc(C(N)=S)cn1)c1cccs1 to have a lower LogP value.,CC(c1cnc(C(N)=S)cn1)c1cccs1
MR,Please modify the molecule Cc1ccc2c(c1)=C(c1sc(=S)n(Cc3ccco3)c1O)C(=O)N=2 to decrease its MR value.,Cc1ccc2c(c1)=C(c1cn(Cc3ccco3)c(=S)s1)C(=O)N=2
QED,Optimize the molecule CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCCCCCCCC[N+](C)(C)C)OCC=O to have a higher QED value.,CCCCCCCCCCCCCCCCCCOCC(O)COP(=O)([O-])OCCCCCCCCCC[N+](C)(C)C
AtomNum,"There is a molecule composed of 9 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",COCCCC(=O)NC(C)C(C)=O
BondNum,"There is a molecule with 10 single bonds, 6 rotatable bonds, and 11 aromatic bonds.",COc1ccc(C[NH2+]C(C)c2csc(Cl)c2)cc1OC
FunctionalGroup,"The molecule has 1 amide group, and 1 sulfide group.",Cc1nc(COc2cccc3[nH]c(C(=O)NC4CC[NH2+]CC4)cc23)cs1
AddComponent,Add a hydroxyl to the molecule Cc1ccc(N(CCNC(=O)c2c(F)cccc2Cl)S(C)(=O)=O)cc1.,Cc1ccc(N(CCNC(=O)c2c(F)cc(O)cc2Cl)S(C)(=O)=O)cc1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)(O)C[NH2+]C(Cc1ccccc1)c1ccccc1 with a thiol.,CC(C)(S)C[NH2+]C(Cc1ccccc1)c1ccccc1
DelComponent,Please remove a Cc1csc(CCCCNC(=O)C2(O)CCCC2)n1 from the molecule amide.,Cc1csc(CCCCC2CCCO2)n1
LogP,Modify the molecule COC(=C(C)c1cnc(C2C(CI)[NH+]2C(c2ccccc2)(c2ccccc2)c2ccccc2)o1)C(C#CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C to have a lower LogP value.,COC(=C(C)c1cnc(C2C(C)[NH+]2C(c2ccccc2)(c2ccccc2)c2ccccc2)o1)C(C#CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
MR,Please modify the molecule CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(CCCCNC(=O)c1ccccn1)C(=O)NC(CCCCNC(=O)c1ccc(N)nc1)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CCCC[NH2+]C(C)C)C(=O)N1CCCC1C(=O)NC(C)C(N)=O to decrease its MR value.,CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(CCCCNC(=O)c1ccccn1)C(=O)NC(CCCCNC(=O)c1cccnc1)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CCCC[NH2+]C(C)C)C(=O)N1CCCC1C(=O)NC(C)C(N)=O
QED,Optimize the molecule O=CC1C2=CC=CC=C1C=CC=C2 to have a higher QED value.,O=CC1C2=CC=C(O)C=C1C=CC=C2
AtomNum,"There is a molecule with 26 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",C=C(O)c1c(-c2cccc(N(CCC)CCC)c2)c(-c2ccc(Cl)cc2)n(C)c1C
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, 1 triple bond, 6 rotatable bonds, and 5 aromatic bonds.",COC(=O)c1ccc(C(C)N(CCC#N)C2CC2)o1
FunctionalGroup,Please generate a molecule composed of and 1 halo group.,O=C([O-])c1[nH]c2ccc(Cl)cc2c1C1CC[NH2+]CC1
AddComponent,Please add a benzene ring to the molecule CCC(CC1([NH3+])CC1)c1ccccc1.,CC(c1ccccc1)C(CC1([NH3+])CC1)c1ccccc1
SubComponent,Please substitute a C=CCN(CC(F)(F)F)C(=O)C1CCCN(S(C)(=O)=O)C1 in the molecule halo with a nitro.,C=CCN(CC(F)(F)NO)C(=O)C1CCCN(S(C)(=O)=O)C1
DelComponent,Modify the molecule halo by removing a O=CNc1cc(Cl)cc(-c2nc(C(=O)NC3CCCCCCCCCCCCCC3)co2)c1O.,O=CNc1cccc(-c2nc(C(=O)NC3CCCCCCCCCCCCCC3)co2)c1O
LogP,Optimize the molecule N#CC1CCCN1C(=O)C[NH2+]CCC(=O)NCc1ccccc1 to have a higher LogP value.,O=C(CC[NH2+]CC(=O)N1CCCC1S)NCc1ccccc1
MR,Modify the molecule C[NH+]=C(NCCOC1CCCCCC1)NCc1ccccc1 to increase its MR value.,C[NH+]=C(NCCOC1CCCCC(O)C1)NCc1ccccc1
QED,Please optimize the molecule COC(=O)N(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 to have a lower QED value.,COC(=O)N(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)c(CC=O)c2)cc1
AtomNum,"There is a molecule composed of 18 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",Cc1ccsc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1
BondNum,"Please generate a molecule composed of 17 single bonds, 1 double bond, 11 rotatable bonds, and 18 aromatic bonds.",COc1ccc(CCN(C(=O)c2cccc(C(C)C)n2)C(C)CCc2ccccc2)nc1OC
FunctionalGroup,There is a molecule with and 1 amine group.,CNc1c(C)c(C)[nH+]c2c(C(C)C)cccc12
AddComponent,Modify the molecule [NH3+]C1=C2[NH2+]C(O)N(Cc3ccccc3)C2N=C(OCCCCO)N1 by adding a aldehyde.,[NH3+]C1=C2[NH2+]C(O)(CC=O)N(Cc3ccccc3)C2N=C(OCCCCO)N1
SubComponent,Modify the molecule C[NH+]=C(NCC1(C)COC1)N(C)Cc1ccc(Cl)c(Cl)c1 by substituting a halo with a nitrile.,C[NH+]=C(NCC1(C)COC1)N(C)Cc1ccc(C#N)c(Cl)c1
DelComponent,Modify the molecule halo by removing a Cc1ccccc1NC(=O)CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O.,Cc1ccccc1NC(=O)CN1C(=O)SC(=Cc2ccc(-c3ccccc3Cl)o2)C1=O
LogP,Modify the molecule CCc1nncn1CCNC(NC(C)c1cccc(N2CCCC2)c1)=[NH+]C to increase its LogP value.,CCc1nncn1CCNC(NC(C)c1cccc(N2CCCC2c2ccccc2)c1)=[NH+]C
MR,Please optimize the molecule CCCOC(=O)C(C)=C[Si](Cl)(Cl)Cl to have a higher MR value.,CC(=O)[Si](Cl)(Cl)C=C(C)C(=O)OCCC
QED,Please modify the molecule O=C(Cc1ccc2[nH]ccc2c1)NCCc1ccc(Cl)cc1 to decrease its QED value.,O=C(Cc1ccc2[nH]ccc2c1)NCCc1ccc(Cl)cc1-c1ccccc1
AtomNum,"The molecule contains 33 carbon atoms, and 3 oxygen atoms.",CC=CCCC1CCC(c2ccc(OC(=O)c3ccc(OCCCCCC(C)CC)cc3)cc2)CC1
BondNum,"Please generate a molecule consisting 9 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",CCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2F)cc1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 amide group.",CC1[NH2+]C(c2ccccc2)C(=O)N1CC1(C(C)C)CC1
AddComponent,Please add a benzene ring to the molecule C=CNC(=O)CCCCCC.,CCCCCCC(=O)NC=Cc1ccccc1
SubComponent,Please substitute a CCCCCNC(=O)C(c1ccccc1O)N(C(=O)C(CO)NC(=O)OC(C)(C)C)C1CC1C in the molecule hydroxyl with a halo.,CCCCCNC(=O)C(c1ccccc1Br)N(C(=O)C(CO)NC(=O)OC(C)(C)C)C1CC1C
DelComponent,Please remove a halo from the molecule O=C1CC(=O)N(c2cc(Br)ccc2Br)C1.,O=C1CC(=O)N(c2cccc(Br)c2)C1
LogP,Optimize the molecule COc1ccc(C2=C(O)C(=O)N(c3cccc(OC(F)(F)F)c3)C2c2ccc(O)c(OC)c2)cc1 to have a higher LogP value.,COc1ccc(C2=C(S)C(=O)N(c3cccc(OC(F)(F)F)c3)C2c2ccc(O)c(OC)c2)cc1
MR,Please optimize the molecule O=C(Nc1ccccc1Cl)c1cc(NCc2ccccn2)cc[nH+]1 to have a higher MR value.,O=C(Nc1ccccc1C(=O)[OH])c1cc(NCc2ccccn2)cc[nH+]1
QED,Modify the molecule Cc1ccc(C2CSCC[NH+]2CC(O)COCc2ccccc2)o1 to decrease its QED value.,Cc1ccc(C2CSC(c3ccccc3)C[NH+]2CC(O)COCc2ccccc2)o1
AtomNum,"Please generate a molecule consisting 13 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CNC(=O)Nc1ccc(NC2CCS(=O)(=O)CC2)cc1
BondNum,"The molecule has 5 single bonds, 1 rotatable bond, and 11 aromatic bonds.",Fc1cc(F)c(-n2cnnc2Cl)c(F)c1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 amide group, and 3 halo groups.",O=C([O-])Cn1cc(C(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Br)cn1
AddComponent,Add a amine to the molecule CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=O)Nc3ccc(Cl)cc3)cc2c1.,CCOc1cc(N)c2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=O)Nc3ccc(Cl)cc3)cc2c1
SubComponent,Modify the molecule halo by substituting a CC(C)NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21 with a nitrile.,CC(C)NC(=O)Cn1c(=O)n(Cc2ccccc2C#N)c(=O)c2sccc21
DelComponent,Please remove a CCCCOC1C(OCC(C)C)OC(COC(=O)NCCC)C(OC(=O)Nc2ccc(C(F)(F)F)cc2)C1OCCC from the molecule benzene ring.,CCCCOC1C(OCC(C)C)OC(COC(=O)NCCC)C(OC(=O)NC(F)(F)F)C1OCCC
LogP,Please modify the molecule CC(C)C(CC(=O)[O-])NC(=O)NCCC[NH+](C)C to decrease its LogP value.,CC(CC(=O)O)C(CC(=O)[O-])NC(=O)NCCC[NH+](C)C
MR,Please modify the molecule COc1ccccc1C[NH+]1CCC(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CC1 to increase its MR value.,COc1ccccc1C[NH+]1CCC(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CC1c1ccccc1
QED,Modify the molecule CCC(O)(CC)COC1(CC)CC2C(O)CCCC2(C)C1(C)C to decrease its QED value.,CCC(CC)COC1(CC)CC2C(O)CCCC2(C)C1(C)C
AtomNum,"There is a molecule composed of 13 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",COC1CCCC(C[NH3+])(N2CCCCC2)C1
BondNum,"Please generate a molecule composed of 14 single bonds, and 3 rotatable bonds.",CCCC[N+]12CCC(CC1)C(O)C2
FunctionalGroup,There is a molecule composed of and 1 ketone group.,C[NH+](C)CCOc1ccc2c(c1)C(=O)c1ccccc1-2
AddComponent,Please add a benzene ring to the molecule O=C(Nc1nc2n(n1)CCCC2)C1(CCF)CC1.,O=C(Nc1nc2n(n1)CCCC2)C1(C(CF)c2ccccc2)CC1
SubComponent,Modify the molecule halo by substituting a Cc1c(CCN2CC[NH2+]CC2)c2cccc(F)c2n1C with a nitro.,Cc1c(CCN2CC[NH2+]CC2)c2cccc(NO)c2n1C
DelComponent,Please remove a Cc1c(C[NH+]2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccccc3)CC2)n1C from the molecule halo.,Cc1c(C[NH+]2CCN(c3ccccc3)CC2)cc(C(=O)N2CCN(c3ccccc3)CC2)n1C
LogP,Please optimize the molecule CCN(CC)C(=O)n1ccc2cccc(-c3ccccc3)c21 to have a lower LogP value.,CCN(CC)C(=O)n1ccc2ccccc21
MR,Please modify the molecule CC(C)(C)OC(=O)N1Cc2ccc(Br)cc2C2(CC2)C1 to decrease its MR value.,CC(C)(C)OC(=O)N1Cc2ccc(O)cc2C2(CC2)C1
QED,Modify the molecule Cc1ccc(NC(=O)C[NH+]2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)cc1 to have a lower QED value.,O=C(C[NH+]1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1)Nc1ccc(Cc2ccccc2)cc1
AtomNum,"The molecule consists of 24 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1
BondNum,"There is a molecule with 23 single bonds, 1 double bond, 7 rotatable bonds, and 12 aromatic bonds.",O=C(CCC[NH+]1CCC(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CC[NH2+]CC2
FunctionalGroup,"The molecule consists of 1 ester group, and 1 halo group.",Cc1cc(Cl)cc2c1OC(=O)C2C
AddComponent,Add a thiol to the molecule COC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ccc(Cl)cc23)c1-c1c[nH]c2ccc(F)cc12.,COC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3c(S)cc(F)cc23)c1-c1c[nH]c2ccc(Cl)cc12
SubComponent,Please substitute a halo in the molecule O=S(=O)(Nc1nccnc1-c1ccc(CCl)cc1)c1ccccc1C(F)(F)F with a carboxyl.,O=C([OH])Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
DelComponent,Modify the molecule amide by removing a CC(C(N)=O)c1cn(CCC(F)(F)F)c(=S)[nH]1.,Cc1cn(CCC(F)(F)F)c(=S)[nH]1
LogP,Modify the molecule C=CCn1c(-c2ccc(C)cc2)csc1=NN=C(C)c1ccccc1 to decrease its LogP value.,C=CCn1c(-c2ccc(C)cc2)csc1=NN=CC
MR,Optimize the molecule CC1CCCN(C(=O)CCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)C1 to have a higher MR value.,CC1CCCN(C(=O)CCNC(=O)c2cc(O)c(S(=O)(=O)N3CCCCC3)o2)C1
QED,Modify the molecule O=C([O-])C(CNC(=O)C1(c2cccc(F)c2)CCC1)Cc1ccccc1 to have a lower QED value.,CC(=O)c1cccc(C2(C(=O)NCC(Cc3ccccc3)C(=O)[O-])CCC2)c1
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCN(C(=O)c1c(C)noc1C(C)C)C1CCS(=O)(=O)C1
BondNum,"The molecule consists of 9 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CCOC(=O)CCNc1nc(N)ncc1C
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 1 halo group.",CC1CC(C[NH3+])C[NH+]1C(C)c1ccc(Cl)cc1
AddComponent,Add a carboxyl to the molecule O=C(Nc1ccccc1)C1CCC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1.,O=C(O)c1cc(Br)ccc1-n1c(C[NH+]2CCCC(C(=O)Nc3ccccc3)C2)nc2ccccc21
SubComponent,Modify the molecule hydroxyl by substituting a Cc1cc(-c2nnc(CO)n2C2CC2)ccc1F with a nitro.,Cc1cc(-c2nnc(CNO)n2C2CC2)ccc1F
DelComponent,Modify the molecule amine by removing a COC(=O)CCC[NH+](CCCNC(=S)Nc1cccc(Br)c1)C1CCCc2ccccc21.,COC(=O)CCC[NH+](CCCC(=S)Nc1cccc(Br)c1)C1CCCc2ccccc21
LogP,Please modify the molecule CCS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1 to decrease its LogP value.,CCS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1O
MR,Modify the molecule N#Cc1ncccc1COc1ccc(Br)c(CBr)c1 to decrease its MR value.,N#Cc1ncccc1COc1cccc(CBr)c1
QED,Modify the molecule CCC[NH2+]CCc1ccc(Cl)cc1C(C)S to have a lower QED value.,CCC[NH2+]CCC(C)(S)Cl
AtomNum,"There is a molecule with 19 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, 2 fluorine atoms, and 1 chlorine atom.",O=C(NCc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
BondNum,"There is a molecule with 19 single bonds, 1 double bond, 10 rotatable bonds, and 18 aromatic bonds.",O=C(CCc1ccncc1)NCC(COCc1ccc(C(F)(F)F)c(C(F)(F)F)c1)c1ccccc1
FunctionalGroup,"There is a molecule composed of 1 hydroxyl group, and 1 sulfide group.",OCCC1CCC[NH+](Cc2csc3ccccc23)C1
AddComponent,Please add a benzene ring to the molecule CC1(C)CCC(NC(=O)c2cc3cc(N)ccc3[nH]2)C1.,CC1(C)CCC(NC(=O)c2cc3cc(N)ccc3[nH]2)(c2ccccc2)C1
SubComponent,Please substitute a halo in the molecule COCC1C(CCOCC2CCC[NH2+]2)CCN1P(=O)(Cl)Cl with a thiol.,COCC1C(CCOCC2CCC[NH2+]2)CCN1P(=O)(S)Cl
DelComponent,Remove a benzene ring from the molecule CCc1ccc(C[NH2+]C2CCC[NH+](CC)CC2)cc1.,CCC[NH2+]C1CCC[NH+](CC)CC1
LogP,Optimize the molecule CCn1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C(=O)Nc2ccccc2)n1 to have a lower LogP value.,CCn1cc(NC(=O)Cn2nc(CN)c([N+](=O)[O-])c2C)c(C(=O)Nc2ccccc2)n1
MR,Modify the molecule CC(C)(C)C1=CC(C2(c3c(C(C)(C)C)cc(O)cc3C(C)(C)C)C(=O)c3ccccc3C2=O)=C[C+](C(C)(C)C)C1=O to decrease its MR value.,CC(C)(C)C1=CC(C2(c3c(C(C)(C)C)cccc3C(C)(C)C)C(=O)c3ccccc3C2=O)=C[C+](C(C)(C)C)C1=O
QED,Please optimize the molecule CCN(CCC(=O)[O-])c1ccc2c(c1)CC(=O)N2CCCO to have a lower QED value.,CCN(CCC(=O)[O-])c1ccc2c(c1)CC(=O)N2CCCC(=O)[OH]
AtomNum,"The molecule consists of 14 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",Cc1cc(C2CCCN2C(=O)C[NH2+]C(C)(C)C)on1
BondNum,"The molecule contains 20 single bonds, 2 double bonds, 9 rotatable bonds, and 12 aromatic bonds.",CCN(CC)C(=O)CN1CC[NH+](C(C)C(=O)Nc2ccccc2Cc2ccccc2)CC1
FunctionalGroup,There is a molecule composed of and 1 benzene ring group.,CCOCCN(C)C(C[NH3+])c1ccc(C(C)C)cc1
AddComponent,Add a hydroxyl to the molecule CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(O)CS(C)(=O)=O.,CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)O)C(=O)NC(CC(C)C)C(O)CS(C)(=O)=O
SubComponent,Modify the molecule COCCOc1cc(Br)cc(CC2CCN(C(=O)OC(C)(C)C)CC2)c1 by substituting a halo with a carboxyl.,COCCOc1cc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)[OH])c1
DelComponent,Modify the molecule hydroxyl by removing a COC(CC1CCCC1O)C(F)(F)F.,COC(CC1CCCC1)C(F)(F)F
LogP,Please modify the molecule CCCOc1ccc(C)cc1Nc1nc(=O)c(Cc2ccccc2)c(C)[nH]1 to decrease its LogP value.,CCCOc1ccc(C)cc1-c1nc(=O)c(Cc2ccccc2)c(C)[nH]1
MR,Please modify the molecule Cc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(F)c(F)c2)cc1C to decrease its MR value.,CCNC(=O)C1CC1C(=O)Nc1ccc(F)c(F)c1
QED,Please modify the molecule CNc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC to increase its QED value.,COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)ccnc2cc1C
AtomNum,"There is a molecule consisting of 10 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 sulfur atom.",COCC(C)N=C(N[NH3+])N1CCSC(C)C1
BondNum,"Please generate a molecule consisting 14 single bonds, 4 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)c1cc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)ccc1Cl
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 1 nitro group, 2 halo groups, and 1 sulfide group.",O=C(c1ccc(F)cc1)N(N=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)cc2s1
AddComponent,Please add a benzene ring to the molecule Cc1cccc(Sc2ccccc2C)c1.,Cc1ccccc1Sc1cccc(C)c1-c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule Cc1ccc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)c(O)c1 with a carboxyl.,Cc1ccc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)c(C(=O)[OH])c1
DelComponent,Remove a hydroxyl from the molecule CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)C3c3cccc(Cl)c3)sc2c1.,CCOc1ccc2nc(N3C(=O)C=C(C(=O)c4cc5ccccc5o4)C3c3cccc(Cl)c3)sc2c1
LogP,Please optimize the molecule COc1ccc(N(C)c2cc(N)nc(C(F)(F)F)n2)cc1 to have a lower LogP value.,COc1ccc(N(C)c2cc(N)nc(C(F)F)n2)cc1
MR,Modify the molecule NC(=[NH2+])CC1(Cn2cc(Br)cn2)CC1 to have a higher MR value.,NC(=[NH2+])CC1(Cn2cc(Br)cn2)CC1c1ccccc1
QED,Optimize the molecule COc1cc(C(O[Si](C(C)C)(C(C)C)C(C)C)C(CO)C(CO)C(O[Si](C(C)C)(C(C)C)C(C)C)c2ccc(C(=O)c3ccccc3)c(OC)c2)ccc1Cc1ccccc1 to have a higher QED value.,COc1cc(C(O[Si](C(C)C)(C(C)C)C(C)C)C(C)C(CO)C(O[Si](C(C)C)(C(C)C)C(C)C)c2ccc(C(=O)c3ccccc3)c(OC)c2)ccc1Cc1ccccc1
AtomNum,"The molecule is composed of 15 carbon atoms, 7 nitrogen atoms, and 1 sulfur atom.",Cc1nc(NCc2csc(N3CCCC3)n2)c2cnn(C)c2n1
BondNum,"Please generate a molecule consisting 6 single bonds, 2 double bonds, 4 rotatable bonds, and 15 aromatic bonds.",NC(=O)c1cc(-c2csc(NC(=O)c3cnsn3)n2)c[nH]1
FunctionalGroup,"Please generate a molecule composed of 1 amine group, and 1 halo group.",Cc1nn(CC2CCC(C(C)(C)C)CC2)c(N)c1I
AddComponent,Add a aldehyde to the molecule Cc1cc(-c2nn(-c3ccccc3)cc2C=C2SC(N)=[NH+]C2=O)ccc1OC(C)C.,Cc1cc(-c2nn(-c3ccccc3)c(CC=O)c2C=C2SC(N)=[NH+]C2=O)ccc1OC(C)C
SubComponent,Please substitute a hydroxyl in the molecule OC1CCCC1Nc1ccc(Cl)cc1F with a nitro.,ONC1CCCC1Nc1ccc(Cl)cc1F
DelComponent,Please remove a benzene ring from the molecule C(=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)c1ccc(N2CCOCC2)cc1.,C(=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)N1CCOCC1
LogP,Modify the molecule Cc1nn(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c(C)c1Br to have a lower LogP value.,Cc1nn(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c(C)c1C(=O)[OH]
MR,Optimize the molecule CC(Nc1nc2ccc(N)cc2[nH]1)c1ccc(Cl)cc1Cl to have a lower MR value.,CC(Nc1nc2ccc(N)cc2[nH]1)c1ccc(O)cc1Cl
QED,Optimize the molecule CC1(CNC(=O)N2CCC(O)C23CCCC3)CCCCC1 to have a lower QED value.,CC1(CNC(=O)N2CCCC23CCCC3)CCCCC1
AtomNum,"The molecule has 10 carbon atoms, and 2 oxygen atoms.",C#CCC1(O)CCC2CCC1O2
BondNum,"There is a molecule with 12 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",NC(=O)C1CCC[NH+]1Cc1cccc([N+](=O)[O-])c1N
FunctionalGroup,"Please generate a molecule consisting 1 amide group, and 1 sulfone group.",CC(C(=O)N1CCCC1)S(=O)(=O)c1nncn1C
AddComponent,Add a carboxyl to the molecule COC(=O)C(C)C(C)[NH2+]CCc1cccc(OC)c1.,COC(=O)C(C)C(C)[NH2+]CC(C(=O)O)c1cccc(OC)c1
SubComponent,Substitute a halo in the molecule CC(C)C[NH2+]Cc1cnoc1-c1ccc(F)c(F)c1 with a aldehyde.,CC(=O)c1ccc(-c2oncc2C[NH2+]CC(C)C)cc1F
DelComponent,Please remove a hydroxyl from the molecule CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C1c1ccc(CC)cc1.,CCCCCN1C(=O)C=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C1c1ccc(CC)cc1
LogP,Modify the molecule CC(=O)CCC(NC(=O)CCC(NC(=O)C(CO)NC(=O)C(CCC(=O)[O-])NC(=O)C(CO)NC(=O)CCC(NC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-] to increase its LogP value.,CC(=O)CCC(NC(=O)CCC(NC(=O)C(CC#N)NC(=O)C(CCC(=O)[O-])NC(=O)C(CO)NC(=O)CCC(NC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]
MR,Optimize the molecule CCc1ccc(C([NH2+]C)c2ccc(Br)cc2Br)cc1 to have a lower MR value.,CCc1ccc(C([NH2+]C)c2ccc(C(=O)[OH])cc2Br)cc1
QED,Please optimize the molecule CC(C)(C)c1nn(CCCNC(=O)C2CCCC2)c(=O)o1 to have a lower QED value.,CC(C)(CC(=O)O)c1nn(CCCNC(=O)C2CCCC2)c(=O)o1
AtomNum,"There is a molecule with 28 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCCCOc1ccc(C[N+]2(C)C3CCC2CC(OC(=O)C(CO)c2ccccc2)C3)cc1
BondNum,"Please generate a molecule with 12 single bonds, 2 double bonds, 8 rotatable bonds, and 28 aromatic bonds.",COc1ccc2ccc(OC)c(C=NNC(=O)c3ccc(-c4csc(Nc5ccc(C)cc5)n4)cc3)c2c1
FunctionalGroup,"The molecule is composed of 3 benzene ring groups, 1 ketone group, 1 amide group, 2 amine groups, and 1 nitro group.",CC(=O)c1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1
AddComponent,Please add a benzene ring to the molecule CCCCC(CC)CNC(=O)C(=O)NCc1cccc(C)c1.,CCC(CNC(=O)C(=O)NCc1cccc(C)c1)CC(CC)c1ccccc1
SubComponent,Modify the molecule halo by substituting a Nc1ccc(-c2nnc3ccc(Br)cn23)cc1F with a nitrile.,N#Cc1ccc2nnc(-c3ccc(N)c(F)c3)n2c1
DelComponent,Modify the molecule hydroxyl by removing a CSCC(C)(O)CNC(=O)c1cn(CC[NH3+])cn1.,CSCC(C)CNC(=O)c1cn(CC[NH3+])cn1
LogP,Please modify the molecule CCOC(=O)C1CSC2(CN3C(=O)N(C)C(=O)C3(CC)C2)N1C(C)=O to increase its LogP value.,CCOC(=O)C1CSC2(CNC(=O)CC(C)C2)N1C(C)=O
MR,Please optimize the molecule CC1C[NH+](C)C(C)CN1C(=O)C1CCC2(CC1)NC(=O)NC2=O to have a lower MR value.,CC1C[NH+](C)C(C)CN1C(=O)C1CCC(C(N)=O)C1
QED,Modify the molecule O=C(Nc1ccccc1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 to have a higher QED value.,O=C(Nc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCCO2
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",Cc1ccc(C(=O)NCC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1C
BondNum,"Please generate a molecule consisting 14 single bonds, 3 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CC(=O)c2ccc(F)cc2)CC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 3 amide groups, and 1 halo group.",CC([NH3+])C(=O)NC(C(=O)N1CCCC1C(=O)NCc1ccccc1Cl)C(C)C
AddComponent,Please add a amine to the molecule CNc1cc(N2CCCC2CBr)nc(N)n1.,CNc1cc(N2CCC(N)C2CBr)nc(N)n1
SubComponent,Modify the molecule halo by substituting a CCC1OCCC1C[NH2+]C(C)c1c(F)cccc1F with a thiol.,CCC1OCCC1C[NH2+]C(C)c1c(F)cccc1S
DelComponent,Modify the molecule benzene ring by removing a CCOC(=O)CC(=O)OCCOCCOCCOC(=O)c1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.,CCOC(=O)CC(=O)OCCOCCOCCOC(=O)c1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(C)c5ccc2[nH]5)C=C4)C=C3)cc1
LogP,Please optimize the molecule COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1[N+](=O)[O-] to have a higher LogP value.,COc1ccc(C(=O)Nc2cc(-c3ccccc3)c3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1[N+](=O)[O-]
MR,Please modify the molecule COc1ccc2c(c1)C(Nc1ccc(F)c(F)c1)CCO2 to increase its MR value.,CC(=O)c1ccc(NC2CCOc3ccc(OC)cc32)cc1F
QED,Optimize the molecule [NH3+]Cc1cc(F)ccc1COc1ccc(Br)cc1Br to have a lower QED value.,CC(=O)c1ccc(COc2ccc(Br)cc2Br)c(C[NH3+])c1
AtomNum,"The molecule contains 15 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",Cc1cccc2c1nc(CCl)n2CCOCC1CC1
BondNum,"There is a molecule with 8 single bonds, 2 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",CC(C)Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,C=C=Cc1cc(CC(C)(C)C)cc(C=C)c1OC
AddComponent,Modify the molecule Cc1c(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cnn1-c1cccc(Cl)c1 by adding a benzene ring.,Cc1c(C(=O)NCC(=O)N2CCN(c3ccc(Cl)c(-c4ccccc4)c3)CC2)cnn1-c1cccc(Cl)c1
SubComponent,Modify the molecule halo by substituting a Cc1c(C[NH2+]C(C)C)oc2c(Cl)cccc12 with a carboxyl.,Cc1c(C[NH2+]C(C)C)oc2c(C(=O)[OH])cccc12
DelComponent,Modify the molecule CC[NH+](CC)CCOc1ccc(C(N)=S)c(Cl)c1 by removing a halo.,CC[NH+](CC)CCOc1ccc(C(N)=S)cc1
LogP,Modify the molecule Cc1c(C)c2c(c(C)c1O)C(=O)CC(C)(CCCCSc1ccc(NC(=O)c3ccc([NH+]=C(N)N)cc3)cc1)O2 to increase its LogP value.,Cc1c(C)c2c(c(C)c1O)C(=O)CC(C)(CCCCSc1ccc(NC(=O)c3ccc([NH+]=CN)cc3)cc1)O2
MR,Optimize the molecule CCCCCCCC(CC)c1ccc(C#N)c(Cn2ccnc2)c1C to have a higher MR value.,CCCCCC(CC(CC)c1ccc(C#N)c(Cn2ccnc2)c1C)c1ccccc1
QED,Optimize the molecule CCOCCCNc1nccn1C(C)c1ccc(Br)cc1 to have a lower QED value.,CCOCCCNc1nccn1C(C)c1ccc(S)cc1
AtomNum,"Please generate a molecule composed of 12 carbon atoms, 3 nitrogen atoms, 1 fluorine atom, 1 chlorine atom, and 1 bromine atom.",C[NH2+]Cc1nc(-c2ccc(F)c(Cl)c2)c(Br)n1C
BondNum,"The molecule has 17 single bonds, 3 double bonds, 5 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(N(C)C)cc3)c2C(N)=O)C1
FunctionalGroup,The molecule has and 2 amide groups.,CC(C)[NH+]1CC(=O)N2CCC(CC(=O)NCC[NH+]3CCCC3)C(C=CCOc3ccccc3C1)C2
AddComponent,Add a benzene ring to the molecule Cc1ccccc1CC(=O)N1CCN(C(=O)CNC(=O)C([NH3+])C(C)C)CC1.,Cc1ccccc1CC(=O)N1CCN(C(=O)CNC(=O)C([NH3+])C(C)C)C(c2ccccc2)C1
SubComponent,Please substitute a hydroxyl in the molecule Cc1cccc(C(C)(O)Cc2ccc3c(c2)CCC3)c1 with a nitro.,Cc1cccc(C(C)(Cc2ccc3c(c2)CCC3)NO)c1
DelComponent,Remove a Cc1ccc(-c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)c(C)c1 from the molecule benzene ring.,Cc1ccc(-c2nc3ccccc3n2CC(=O)Cl)c(C)c1
LogP,Modify the molecule Cc1nn(C)c(=O)n1N1CC2=C(CCOc3cc(-c4cnn(CC(C)(C)O)c4)ccc32)S1 to increase its LogP value.,Cc1nn(C)c(=O)n1N1CC2=C(CCOc3cc(-c4cnn(CC(C)C)c4)ccc32)S1
MR,Optimize the molecule Cc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)cs2)o1 to have a lower MR value.,Cc1ccc(-c2nc(C(=O)NC(=O)N3CCOCC3)cs2)o1
QED,Modify the molecule Cc1ccc(-c2cc(C(=O)N3CCC(c4ccco4)C3)nn2C)cc1 to increase its QED value.,Cc1cc(C(=O)N2CCC(c3ccco3)C2)nn1C
AtomNum,"There is a molecule with 14 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",CC[NH+]1CCCC1CNC(=O)Nc1ccccc1F
BondNum,"The molecule consists of 14 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CCN(c1snc(N)c1C(=O)NC1CC1)C1CC1
FunctionalGroup,"The molecule has 4 benzene ring groups, and 4 amide groups.",[N-]=[N+]=Nc1ccc(C(=O)N2CCCC2C(=O)Nc2ccc(C=Cc3ccc(NC(=O)C4CCCN4C(=O)Cc4ccccc4)cc3)cc2)cc1
AddComponent,Modify the molecule Cc1c(C(=O)Cc2cccc(Cl)n2)nnn1-c1ccc(F)cc1 by adding a carboxyl.,Cc1c(C(=O)Cc2cccc(Cl)n2)nnn1-c1ccc(F)c(C(=O)O)c1
SubComponent,Please substitute a halo in the molecule CCC(O)c1ccc(Cl)c2nc3n(c12)CCCN3c1c(C)cc(Cl)cc1Cl with a thiol.,CCC(O)c1ccc(S)c2nc3n(c12)CCCN3c1c(C)cc(Cl)cc1Cl
DelComponent,Remove a benzene ring from the molecule c1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)cccc2n3-c2cccc(-c3nc(-c4ccccc4)c4sc5ccccc5c4n3)c2)cc1.,c1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)cccc2n3-c2cccc(-c3ncc4sc5ccccc5c4n3)c2)cc1
LogP,Modify the molecule COc1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 to increase its LogP value.,COc1ccc(Cn2ccc3nc(-c4ccccc4S)nc-3c2)cc1
MR,Please optimize the molecule CCOc1cc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc2sc(N)nc12 to have a higher MR value.,CCOc1cc(NC(=O)C(C)(O)Oc2ccc(Cl)cc2Cl)cc2sc(N)nc12
QED,Optimize the molecule CC(=O)Nc1ccc(NC(=O)C=C(C)C(C)(C)C)cc1 to have a lower QED value.,CC(=O)Nc1ccc(C(C)C(C)(C)C)cc1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",O=C1NC2(CCCCCC2)C(=O)N1CCOc1ccc(Br)cc1
BondNum,"There is a molecule with 11 single bonds, 1 double bond, and 6 rotatable bonds.",C=CCC([NH2+]CCC)C1CC1C
FunctionalGroup,"The molecule has 1 amide group, 2 thioether groups, and 1 sulfide group.",CSCC(C)CNC(=O)C(C)=C1C[NH2+]C1
AddComponent,Please add a nitrile to the molecule CCOC(=O)c1c(NC(=O)CCSCCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)sc(C(=O)N(C)C)c1C.,CCOC(=O)c1c(NC(=O)CCSC(C#N)CC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)sc(C(=O)N(C)C)c1C
SubComponent,Modify the molecule halo by substituting a Brc1cc(Br)cc(NCc2ccc(C3CCCCC3)cc2)c1 with a nitrile.,N#Cc1cc(Br)cc(NCc2ccc(C3CCCCC3)cc2)c1
DelComponent,Remove a hydroxyl from the molecule CC12SCN(C(=O)C(O)C([NH3+])Cc3ccccc3)C1C(=O)N2Cc1ccccc1Cl.,CC12SCN(C(=O)CC([NH3+])Cc3ccccc3)C1C(=O)N2Cc1ccccc1Cl
LogP,Optimize the molecule CC(CC(C)c1ccccc1)OC(=O)C(C)C to have a lower LogP value.,CCCC(C)OC(=O)C(C)C
MR,Optimize the molecule COc1ccccc1C(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)Nc4ccccc4)c3)CC2)cc1C to have a higher MR value.,COc1ccccc1C(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)[OH])c(C(=O)Nc4ccccc4)c3)CC2)cc1C
QED,Optimize the molecule Cc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc(-n2cccn2)n1 to have a higher QED value.,Cc1nc(Nc2ccc(N[SH](=O)=O)cc2)cc(-n2cccn2)n1
AtomNum,"The molecule has 20 carbon atoms, and 2 sulfur atoms.",CCCCSc1ccccc1Sc1ccccc1CCCC
BondNum,"Please generate a molecule with 11 single bonds, 2 double bonds, 1 triple bond, 4 rotatable bonds, and 6 aromatic bonds.",NC(=O)NCCNC(=O)c1cc(C#CC[NH3+])ccc1F
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 3 halo groups.",COc1ccc(CC2NC(=O)n3c2nc2ccc(C(F)(F)F)cc23)cc1
AddComponent,Modify the molecule C[NH+]1CCN(c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3cc(Cl)ccc3O4)cc2[N+](=O)[O-])CC1 by adding a benzene ring.,C[NH+]1CCN(c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3cc(Cl)cc(-c5ccccc5)c3O4)cc2[N+](=O)[O-])CC1
SubComponent,Please substitute a halo in the molecule O=C(NC1CONC1=O)c1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1 with a carboxyl.,O=C(NC1CONC1=O)c1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)C(=O)[OH])c3)(C(F)(F)F)C2)nc1
DelComponent,Remove a benzene ring from the molecule C[NH2+]CN(C)c1ccc(C(C)(C)C)cc1.,C[NH2+]CN(C)C(C)(C)C
LogP,Modify the molecule CC(C)Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccsc2c1=O to decrease its LogP value.,CC(C)Cn1c(SCC(=O)NCF)nc2ccsc2c1=O
MR,Modify the molecule CC(C)=CCOc1cc(Nc2nccc3cccn23)ccc1Cl to increase its MR value.,CC(C)=CC(Oc1cc(Nc2nccc3cccn23)ccc1Cl)c1ccccc1
QED,Modify the molecule FC(F)(F)c1c2c(c(-c3ccccc3)c3nc4cc(Cl)c(Cl)cc4n13)NCC2 to decrease its QED value.,FC(F)(F)c1c2c(c(-c3ccccc3)c3nc4cc(Cl)c(Cl)cc4n13)CC2
AtomNum,"The molecule has 29 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 6 fluorine atoms.",COC(=O)N(Cc1cc(SC)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC
BondNum,"The molecule consists of 9 single bonds, 3 rotatable bonds, and 11 aromatic bonds.",C[NH2+]C(c1ccc(Cl)cc1)c1cnc(C(F)(F)F)s1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 hydroxyl group, and 3 amide groups.",CCCN(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)Nc1c(C)cccc1C)c1ccc(O)cc1
AddComponent,Modify the molecule C=C1CC(=O)N(c2ccccc2Br)C1=O by adding a hydroxyl.,C=C1C(=O)N(c2ccccc2Br)C(=O)C1O
SubComponent,Please substitute a halo in the molecule CN(Cc1csc(Br)c1)c1nc(N)nc2[nH]ncc12 with a nitrile.,CN(Cc1csc(C#N)c1)c1nc(N)nc2[nH]ncc12
DelComponent,Please remove a amide from the molecule CN1CC(NC(=O)NCC2CCC(C)(C)c3ccccc32)CCC1=O.,CC1CC1NC(=O)NCC1CCC(C)(C)c2ccccc21
LogP,Optimize the molecule Cc1ccc(NC(CO)c2cncc(Br)c2)cc1 to have a lower LogP value.,CNC(CO)c1cncc(Br)c1
MR,Optimize the molecule O=S(=O)(c1ccccc1)n1c(I)cc2ccncc21 to have a lower MR value.,N#Cc1cc2ccncc2n1S(=O)(=O)c1ccccc1
QED,Optimize the molecule C=CCN(c1c(Cl)cc(Cl)cc1Cl)C(CCC)C(=O)Cc1ccc(OC)cc1 to have a lower QED value.,C=CCN(c1c(Cl)cc(Cl)cc1Cl)C(CCC)C(=O)Cc1ccc(OC)cc1-c1ccccc1
AtomNum,"There is a molecule composed of 17 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",Cc1c(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cccc1[N+](=O)[O-]
BondNum,"There is a molecule composed of 11 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(NC2(C[NH3+])CCc3cc(Br)ccc3C2)cc1
FunctionalGroup,"The molecule consists of 1 hydroxyl group, 1 amine group, and 1 nitro group.",O=C([O-])c1cnc(NCC2CCC(O)CC2)c([N+](=O)[O-])c1
AddComponent,Add a amine to the molecule CCCc1nc(NN)cc(N(C)CC2CCCO2)n1.,CN(CC1CCCO1)c1cc(NN)nc(CCCN)n1
SubComponent,Substitute a hydroxyl in the molecule OCCCc1cc(F)cc(F)c1 with a halo.,Fc1cc(F)cc(CCCI)c1
DelComponent,Please remove a CN(CC(=O)NC1(c2ccccc2)CC1)C(=O)OC(C)(C)C from the molecule amide.,CN(C(=O)OC(C)(C)C)C1(c2ccccc2)CC1
LogP,Optimize the molecule Nc1ccn(C2CC(F)(CO)CC2O)c(=O)n1 to have a lower LogP value.,Nc1ccn(C2CC(F)(C(N)O)CC2O)c(=O)n1
MR,Optimize the molecule CCC1OCCC1CNc1nnc(Cl)c(C)c1C to have a higher MR value.,CCC1OCCC1CNc1nnc(S)c(C)c1C
QED,Modify the molecule Cc1cccc(CNS(=O)(=O)c2ccc(Br)c(C)c2)c1 to decrease its QED value.,Cc1cccc(CS(=O)(=O)c2ccc(Br)c(C)c2)c1
AtomNum,"The molecule contains 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC2CCCCC21
BondNum,"The molecule is composed of 15 single bonds, 3 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1sccc1S(=O)(=O)N1CCCC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 amide groups, and 1 nitrile group.",CC(=O)Nc1ccc(NC(=O)C(C#N)=C[NH+]2CCCC(C)C2)cc1
AddComponent,Modify the molecule COc1cccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4ccccc4C(=O)N4CCCC(C)C4)CC3)cc2C)c1 by adding a hydroxyl.,COc1cc(O)cc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4ccccc4C(=O)N4CCCC(C)C4)CC3)cc2C)c1
SubComponent,Modify the molecule halo by substituting a CCOc1ccc(C2C(c3cc(Cl)c(OC)c(OC)c3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1OC with a nitro.,CCOc1ccc(C2C(c3cc(NO)c(OC)c(OC)c3)=C(O)C(=O)N2c2ccc(C)cc2C)cc1OC
DelComponent,Remove a benzene ring from the molecule O=C(CCN1C(=O)CCC1=O)NCc1ccc(Cn2cnc3ccccc32)cc1.,O=C(CCN1C(=O)CCC1=O)NCCn1cnc2ccccc21
LogP,Modify the molecule Cn1cnnc1CCC(=O)N1CCCCCCC1 to increase its LogP value.,Cn1cnnc1CC1CCCCCC1
MR,Modify the molecule C#CC(=O)NCC1C(C)(C)C1(C)C to have a lower MR value.,CCC1C(C)(C)C1(C)C
QED,Modify the molecule CSc1nc(N2CCCC2c2cc3cccc(Cl)c3c(=O)n2-c2ccccc2)c2c(=O)ccnc-2[nH]1 to have a lower QED value.,CSc1nc(N2CCCC2c2cc3cccc(C(=O)[OH])c3c(=O)n2-c2ccccc2)c2c(=O)ccnc-2[nH]1
AtomNum,"The molecule has 21 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCCn1ccc2cc(NC(=O)c3ccc4c(c3)OCCCO4)ccc21
BondNum,"The molecule consists of 16 single bonds, 4 double bonds, 6 rotatable bonds, and 18 aromatic bonds.",CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C)cc4)c(I)c3)C2=O)cc1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amide group, and 1 sulfone group.",CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1
AddComponent,Modify the molecule O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C2CN(c3nc(C(F)(F)F)nc4ccccc34)CC2O)CC1 by adding a benzene ring.,O=C(c1ccc(Cl)c(-c2ccccc2)c1)N1CCC([NH2+]C2CN(c3nc(C(F)(F)F)nc4ccccc34)CC2O)CC1
SubComponent,Substitute a CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccc(Cl)cc1 in the molecule nitrile with a aldehyde.,CC(=O)C(=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(OCC)c1)C(=O)Nc1ccccc1F
DelComponent,Modify the molecule hydroxyl by removing a Cc1cc(NC(=O)c2cc(Br)ccc2O)ncc1N.,Cc1cc(NC(=O)c2cccc(Br)c2)ncc1N
LogP,Modify the molecule CCCCCCN(C(=O)c1cc2cccc(OC)c2o1)C1C=C(C(=O)NCCO)C2c3cc(C=O)cc(OC)c3OC2C1O to have a higher LogP value.,CCCCCCN(C(=O)c1cc2cccc(OC)c2o1)C1CC2(CCO)c3cc(C=O)cc(OC)c3OC2C1O
MR,Modify the molecule CC(C)(CNc1nccc2ccccc12)c1ccccc1 to have a higher MR value.,CC(CNc1nccc2ccccc12)(CC(=O)O)c1ccccc1
QED,Optimize the molecule CC[NH2+]CC1(Cc2cncs2)CCOC1C to have a lower QED value.,CC[NH2+]C(CC=O)C1(Cc2cncs2)CCOC1C
AtomNum,"There is a molecule with 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",CS(=O)(=O)N1CCC(NC(=O)Cc2cccc(N)c2)CC1
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, 6 rotatable bonds, and 5 aromatic bonds.",CCc1ccc(C(=O)C[NH+](C)C(C)(C)CO)s1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 hydroxyl group.",CCCn1cncc1C(O)Cc1cc(C)ccc1C
AddComponent,Add a amine to the molecule [NH3+]C1(c2cc(Cl)c3c(c2)OCC2(CC2)CO3)CCCC1.,NC1CC12COc1cc(C3([NH3+])CCCC3)cc(Cl)c1OC2
SubComponent,Substitute a halo in the molecule O=C(NCc1nnc2n1CCCCC2)NC(c1ccc(Cl)cc1)C1CC1 with a nitro.,ONc1ccc(C(NC(=O)NCc2nnc3n2CCCCC3)C2CC2)cc1
DelComponent,Please remove a nitrile from the molecule CC1CCN(C(=O)NC2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)C1.,CC1CCN(C(=O)NC2CCc3c(-c4cnc(-c5ccc(OC(C)C)cc5)s4)cccc32)C1
LogP,Modify the molecule O=S(=O)(Nc1cc(F)cc(Cl)c1)c1ccccc1CO to have a lower LogP value.,O=S(=O)(Nc1cccc(F)c1)c1ccccc1CO
MR,Modify the molecule CC1=C(c2nc(-c3ccccc3)no2)C(c2ccc(C)c(C)c2)NC(=O)N1Cc1ccc(F)cc1 to decrease its MR value.,CCC1NC(=O)N(Cc2ccc(F)cc2)C(C)=C1c1nc(-c2ccccc2)no1
QED,Optimize the molecule CCCCC1([P+](=O)O)CCCC1 to have a lower QED value.,CCCCC1([P+]=O)CCCC1
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CC(C)CC(NC(=O)CCCCCCCCCCCc1[nH]cc[nH+]1)C(=O)[O-]
BondNum,"Please generate a molecule consisting 10 single bonds, 1 double bond, 7 rotatable bonds, and 18 aromatic bonds.",CCC(C)NC(=O)c1ccc(N(Cc2ccccc2)c2ccccc2)nn1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amide group, 2 halo groups, and 1 sulfone group.",Cc1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)C3CS(=O)(=O)CC32)cc1Cl
AddComponent,Add a hydroxyl to the molecule CN(CCC[NH+]1CCOCC1)C(=O)OC(C)(C)C.,CN(CCC(O)[NH+]1CCOCC1)C(=O)OC(C)(C)C
SubComponent,Modify the molecule hydroxyl by substituting a CC=C(C)C(=O)OC1(O)CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO with a carboxyl.,CC=C(C)C(=O)OC1(C(=O)[OH])CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO
DelComponent,Please remove a amine from the molecule Cc1ccc(Nc2cc(C)nc(N)n2)c(F)c1.,Cc1ccc(-c2cc(C)nc(N)n2)c(F)c1
LogP,Optimize the molecule OBc1cccc(-c2cccc(B(O)O)c2)c1 to have a lower LogP value.,OBc1cccc(B(O)O)c1
MR,Please modify the molecule O=c1cc2c(nn1C1CCC(Nc3ccnc(C4CC4)n3)CC1)CCOC2 to decrease its MR value.,O=c1cc2c(nn1C1CCC(c3ccnc(C4CC4)n3)CC1)CCOC2
QED,Optimize the molecule O=C(c1ccc(Cn2nnc3ccccc3c2=O)cc1)N1CCCC1 to have a higher QED value.,O=C(Cn1nnc2ccccc2c1=O)N1CCCC1
AtomNum,"There is a molecule composed of 10 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CC(c1ccco1)N1CCC(=O)NC1=O
BondNum,"The molecule contains 12 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CC(C)C(Sc1[nH+]cc(CO)n1C)C(=O)N(C)C
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 halo group, and 1 nitrile group.",COc1ccc(-c2nc(C#N)[nH]c2C)cc1Cl
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(C(C)NC(=O)CSCc2cccc(F)c2)cc1C.,Cc1cc(C(C)NC(=O)CSCc2cccc(F)c2)ccc1CO
SubComponent,Please substitute a halo in the molecule CCC[NH2+]C(C)c1ccc(OCC[NH+](CC)CC)c(F)c1 with a nitrile.,CCC[NH2+]C(C)c1ccc(OCC[NH+](CC)CC)c(C#N)c1
DelComponent,Remove a amide from the molecule CCC1SC(=C(C#N)C(=O)Nc2ccccc2)N(c2ccc(OC)cc2)C1=O.,CCC1SC(C#N)(c2ccccc2)N(c2ccc(OC)cc2)C1=O
LogP,Modify the molecule CCS(=O)(=O)c1c(N)nsc1NCCCc1[nH]cc[nH+]1 to increase its LogP value.,CCS(=O)(=O)c1c(N)nsc1CCCc1[nH]cc[nH+]1
MR,Modify the molecule CC(CC(F)(F)F)NC(=O)c1cccc(N)c1Br to increase its MR value.,CC(=O)C(F)(F)CC(C)NC(=O)c1cccc(N)c1Br
QED,Please modify the molecule CCCC1CN(Cc2ccccc2Br)CC[NH2+]1 to decrease its QED value.,CCCC1CN(Cc2ccccc2C(=O)[OH])CC[NH2+]1
AtomNum,"The molecule has 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",CCC[NH2+]CCCCS(=O)(=O)N(C)C(C)c1cccs1
BondNum,"There is a molecule with 10 single bonds, 2 double bonds, 4 rotatable bonds, and 22 aromatic bonds.",COc1ccc(C2=C(c3ccc(F)cc3)C(=O)n3c2cc2cc(OC)ccc23)cc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 sulfide group.",COc1ccc(-c2nc3ccc(N=C=S)cc3s2)cc1
AddComponent,Modify the molecule Cc1ccccc1-c1nnc(C[NH+](C)C2CCC(CO)CC2)o1 by adding a hydroxyl.,Cc1cc(O)ccc1-c1nnc(C[NH+](C)C2CCC(CO)CC2)o1
SubComponent,Substitute a halo in the molecule FC(F)(F)c1cc(Br)ccc1-c1nc(=S)c2c([nH]1)CSC2 with a nitrile.,N#CC(F)(F)c1cc(Br)ccc1-c1nc(=S)c2c([nH]1)CSC2
DelComponent,Remove a amide from the molecule O=C(C1CN(CCn2c(=O)oc3ccccc32)c2ccccc2O1)N1CCCCC1.,O=c1oc2ccccc2n1CCN1c2ccccc2OC2CCCCC21
LogP,Please modify the molecule O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccsc1 to increase its LogP value.,O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1csc(-c2ccccc2)c1
MR,Modify the molecule CCS(=O)(=O)c1cc(C(=O)Cl)c(OC)c2ccccc12 to have a higher MR value.,CCS(=O)(=O)c1cc(C(=O)Cl)c(OC)c2cccc(-c3ccccc3)c12
QED,Modify the molecule CCNC(NC1CC(C)(C)Oc2ccccc21)=[NH+]CCS(=O)(=O)N(CC)CC to have a lower QED value.,CCN(CC)S(=O)(=O)CC[NH+]=C(NC(C)c1ccccc1)NC1CC(C)(C)Oc2ccccc21
AtomNum,"There is a molecule with 33 carbon atoms, 7 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",O=C(Cc1ccc(Oc2ccc(OC3CCC(NS(=O)(=O)c4ccccc4C(F)(F)F)CC3)cc2)nc1)Nc1ccccc1C(=O)[O-]
BondNum,"The molecule is composed of 18 single bonds, 1 double bond, 6 rotatable bonds, and 16 aromatic bonds.",O=C(CC1CCCC1)N1CC[NH+](Cc2nc3ccccc3n2Cc2ccccc2)CC1
FunctionalGroup,The molecule contains and 2 halo groups.,O=C([O-])Nc1c(Cl)cc2ccccc2c1F
AddComponent,Please add a hydroxyl to the molecule [N-]=[N+]=NCC=CCOC1OC(C(O)COC2OC(C(O)CO)C(O)C2O)C(O)C1O.,[N-]=[N+]=NCC=CCOC1OC(C(O)COC2OC(O)(C(O)CO)C(O)C2O)C(O)C1O
SubComponent,Please substitute a CCc1cccc(CC)c1NC(=O)COc1ncnc2ccc(Br)cc12 in the molecule halo with a aldehyde.,CC(=O)c1ccc2ncnc(OCC(=O)Nc3c(CC)cccc3CC)c2c1
DelComponent,Modify the molecule CC(CNC(=O)C1CC(=O)N(C)C1)Oc1ccccc1F by removing a halo.,CC(CNC(=O)C1CC(=O)N(C)C1)Oc1ccccc1
LogP,Please modify the molecule CCOc1ccc(C=C(C#N)C(=O)NCC(C)C)cc1 to increase its LogP value.,CCOc1ccc(C=C(C#N)C(=O)NCC(C)C)cc1-c1ccccc1
MR,Please modify the molecule Cc1ccc(S(=O)(=O)NC(Cc2ccc(C(F)(F)P(=O)([O-])[O-])cc2)C(=O)NCCCCc2ccccc2)cc1 to increase its MR value.,Cc1ccc(S(=O)(=O)NC(Cc2ccc(C(F)(NO)P(=O)([O-])[O-])cc2)C(=O)NCCCCc2ccccc2)cc1
QED,Please modify the molecule N#CC(CN1CCC(c2ccccc2)C1)NC1CC1 to decrease its QED value.,OC(CN1CCC(c2ccccc2)C1)NC1CC1
AtomNum,"There is a molecule with 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",CCOCC1CN(C(=O)C(Cl)CC)CC1C
BondNum,"The molecule consists of 12 single bonds, 3 double bonds, 5 rotatable bonds, and 16 aromatic bonds.",Cc1cc(=O)n2c(CCNC(=O)C3CC(=O)N(c4ccccc4)C3)csc2n1
FunctionalGroup,"The molecule is composed of 1 amide group, and 1 amine group.",CCCCN=C(N[NH3+])N1CCN(C)C(=O)C1
AddComponent,Modify the molecule CCN(CC)CC[NH2+]C(C)c1cccc(NC(C)=O)c1 by adding a hydroxyl.,CCN(CC)CC[NH2+]C(C)c1cc(O)cc(NC(C)=O)c1
SubComponent,Substitute a Cn1cnnc1Sc1cccc(F)c1CC[NH3+] in the molecule halo with a thiol.,Cn1cnnc1Sc1cccc(S)c1CC[NH3+]
DelComponent,Modify the molecule benzene ring by removing a CC(C)(C)c1c[nH+]c(COCc2ccccc2)[nH]1.,COCc1[nH]c(C(C)(C)C)c[nH+]1
LogP,Modify the molecule N#Cc1ccccc1C(O)C([NH3+])c1ccccc1 to have a higher LogP value.,[NH3+]C(c1ccccc1)C(O)c1ccccc1
MR,Modify the molecule COc1ncnc2c1CN(C(=O)NC1CC1C1CCCCC1)CC2 to increase its MR value.,COc1ncnc2c1CN(C(=O)NC1CC1C1CCCC(c3ccccc3)C1)CC2
QED,Please modify the molecule NOCc1cccc(Br)c1 to decrease its QED value.,CC(=O)c1cccc(CON)c1
AtomNum,"There is a molecule composed of 25 carbon atoms, 5 oxygen atoms, and 4 nitrogen atoms.",Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCCCC2)no1
BondNum,"The molecule has 9 single bonds, 2 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",Cn1ccc(C2CC[NH2+]CC2C=O)cc1=O
FunctionalGroup,The molecule is composed of and 1 amide group.,Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C(C)(C)[NH3+])CC4)cc3c2C(C)C)cn(C)c1=O
AddComponent,Add a benzene ring to the molecule CC[NH2+]C(Cc1ccncc1)c1c[nH+]ccc1N.,CC[NH2+]C(c1c[nH+]ccc1N)C(c1ccccc1)c1ccncc1
SubComponent,Substitute a hydroxyl in the molecule COc1ccc(Br)c(C(=O)N2CCC(O)(C(=O)[O-])CC2)c1 with a nitro.,COc1ccc(Br)c(C(=O)N2CCC(NO)(C(=O)[O-])CC2)c1
DelComponent,Please remove a COc1ccc(-c2cc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)on2)cc1 from the molecule benzene ring.,COc1ccc(-c2cc(C[NH+]3CCN([N+](=O)[O-])CC3)on2)cc1
LogP,Modify the molecule Cc1cc(NC(=O)C2C[NH2+]C2)cc(C(=O)[O-])c1C to increase its LogP value.,Cc1cc(C2C[NH2+]2)cc(C(=O)[O-])c1C
MR,Please modify the molecule CCC(C)CC(C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 to increase its MR value.,CCC(C)CC(C)[NH2+]Cc1ccc(O)c(C(F)(F)F)c1
QED,Please optimize the molecule Nc1c(S(=O)(=O)Cl)cc(OC(F)(F)F)nc1F to have a lower QED value.,O=S(=O)(Cl)c1cc(F)nc(OC(F)(F)F)c1
AtomNum,"There is a molecule composed of 20 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 silicon atom.",CCOC(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccc2ccncc2c1
BondNum,"There is a molecule with 13 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",C[NH2+]C(CCc1ccc2c(c1)OCCO2)C(C)C
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amine group, 2 halo groups, and 1 sulfone group.",COc1ccc(C)cc1CCNS(=O)(=O)c1ccc(F)c(F)c1
AddComponent,Modify the molecule CC(C)CN(C(=O)C[NH+]1CCCC(CO)C1)C1CC1 by adding a hydroxyl.,CC(CO)CN(C(=O)C[NH+]1CCCC(CO)C1)C1CC1
SubComponent,Substitute a Fc1cc(CNc2cncnc2)ccc1Cl in the molecule halo with a thiol.,Sc1cc(CNc2cncnc2)ccc1Cl
DelComponent,Modify the molecule amine by removing a CC([NH2+]CCNC(=O)N(C)C)c1ccc(S(N)(=O)=O)cc1.,CC([NH2+]CCNC(=O)N(C)C)c1ccc([SH](=O)=O)cc1
LogP,Modify the molecule COC(C)C(C)[NH2+]C1CCCN(C(=O)OC(C)(C)C)CC1 to have a higher LogP value.,COC(C)C(C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC(c2ccccc2)C1
MR,Modify the molecule CC1(C)CN(c2ncccc2[N+](=O)[O-])CC(CO)O1 to increase its MR value.,CC1(C)CN(c2ncccc2I=O)CC(CO)O1
QED,Modify the molecule CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)n(C)c1 to have a lower QED value.,CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)NCc2ccc(NO)cc2)n(C)c1
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 fluorine atom.",COc1ccc(CCC(C)(C)C[NH2+]CC(C)C)cc1F
BondNum,"Please generate a molecule consisting 13 single bonds, 3 rotatable bonds, and 5 aromatic bonds.",CCNc1[nH+]c(C)cn1C1CC2CCC1C2
FunctionalGroup,There is a molecule with and 1 halo group.,CCCC1(c2nc3c(Cl)cccc3[nH]2)CC[NH2+]C1
AddComponent,Add a benzene ring to the molecule CC(O[Si](C)C)c1ccccc1.,CC(O[Si](C)Cc1ccccc1)c1ccccc1
SubComponent,Substitute a Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1[N+](=O)[O-] in the molecule halo with a hydroxyl.,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(O)F)cc2)cc1[N+](=O)[O-]
DelComponent,Please remove a amine from the molecule Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cn3)C(CC3CCOCC3)C2)s1.,O=S(=O)(c1cccs1)N1CCN(c2ncc(C(O)(C(F)(F)F)C(F)(F)F)cn2)C(CC2CCOCC2)C1
LogP,Optimize the molecule CC(=Cc1ccc(O)cc1Cl)CCC1OB(O)CC2C1=C(CO)CC1C(=O)N(C3CC[NH+](Cc4ccccc4)CC3)C(=O)C12 to have a higher LogP value.,CC(=Cc1ccccc1Cl)CCC1OB(O)CC2C1=C(CO)CC1C(=O)N(C3CC[NH+](Cc4ccccc4)CC3)C(=O)C12
MR,Please modify the molecule N#CCc1nsc2nc3ccccc3nc2c1=O to increase its MR value.,N#CCc1nsc2nc3c(-c4ccccc4)cccc3nc2c1=O
QED,Please optimize the molecule CC(CCc1ccco1)NC(=O)c1cccc2ccccc12 to have a lower QED value.,CC(CCc1ccco1)c12ccccc1ccc-2
AtomNum,"Please generate a molecule with 12 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, 1 fluorine atom, and 1 chlorine atom.",OCCn1cc(NCc2cc(Cl)ccc2F)cn1
BondNum,"There is a molecule composed of 7 single bonds, 4 rotatable bonds, and 16 aromatic bonds.",CCNc1cn2ccnc2c(Nc2c(F)cccc2F)n1
FunctionalGroup,The molecule has and 1 hydroxyl group.,COCC(O)C[NH+]1CCOC1C(C)C
AddComponent,Please add a hydroxyl to the molecule CCc1nc(N)c(C)c(Sc2nc3ccccc3[nH]2)n1.,Cc1c(N)nc(C(C)O)nc1Sc1nc2ccccc2[nH]1
SubComponent,Substitute a halo in the molecule CCCc1cc(C(=O)N(C2CC2)C(C)c2cccc(C(F)(F)F)c2)n[nH]1 with a thiol.,CCCc1cc(C(=O)N(C2CC2)C(C)c2cccc(C(F)(F)S)c2)n[nH]1
DelComponent,Modify the molecule CCOC(=O)c1nc(-c2cccc(C)c2Cl)oc1N by removing a amine.,CCOC(=O)c1coc(-c2cccc(C)c2Cl)n1
LogP,Please optimize the molecule CC1CN(CC2CCCC2)c2nc(Cl)ncc2N(C)C1=O to have a lower LogP value.,CC(=O)c1ncc2c(n1)N(CC1CCCC1)CC(C)C(=O)N2C
MR,Optimize the molecule CCC(C)C(=O)OCC(=O)OC(C)(C)c1ccc2c(ccc3ccccc32)c1Br to have a higher MR value.,CCC(C)C(=O)OCC(=O)OC(C)(C)c1ccc2c(ccc3ccc(S)cc32)c1Br
QED,Please optimize the molecule N#Cc1cc2cc(O)ccc2nc1-c1ccc(C(=O)[O-])cc1 to have a lower QED value.,O=C([O-])c1ccc(-c2nc3ccc(O)cc3cc2S)cc1
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 4 oxygen atoms, 7 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",CCS(=O)(=O)Nc1cccnc1CNc1nc(Nc2cc(C(N)=O)ccc2OC)ncc1C(F)(F)F
BondNum,"There is a molecule composed of 9 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CS(=O)(=O)C(O)C1COC(c2ccccc2)=N1
FunctionalGroup,"The molecule is composed of 1 amide group, and 1 amine group.",CCNc1cnccc1C(=O)N1CCOC(C)C1
AddComponent,Add a hydroxyl to the molecule COC(c1ccccc1)(c1ccc(C(=O)c2ccccc2)[nH]1)c1ccc(C(c2ccccc2)=c2ccc(=C(C3=NC(=O)C=C3)c3ccccc3)[nH]2)[nH]1.,COC(c1ccccc1)(c1ccc(C(=O)c2ccccc2)[nH]1)c1cc(O)c(C(c2ccccc2)=c2ccc(=C(C3=NC(=O)C=C3)c3ccccc3)[nH]2)[nH]1
SubComponent,Please substitute a hydroxyl in the molecule CC(=NO)c1c(OCc2ccccc2)cc(C)cc1Oc1ccc([N+](=O)[O-])cc1 with a nitrile.,CC(=NC#N)c1c(OCc2ccccc2)cc(C)cc1Oc1ccc([N+](=O)[O-])cc1
DelComponent,Please remove a amide from the molecule CCc1ccc(S(=O)(=O)NCC(=O)NCc2ccco2)cc1.,CCc1ccc(S(=O)(=O)NCc2ccco2)cc1
LogP,Modify the molecule N#Cc1cccc2c(CBr)c([S-])sc12 to have a lower LogP value.,Cc1c([S-])sc2c(C#N)cccc12
MR,Please optimize the molecule COc1c(C(=O)[O-])c(C#N)n2c1C(=O)N(C(C)C)CC2C to have a lower MR value.,COc1c(C(=O)[O-])cn2c1C(=O)N(C(C)C)CC2C
QED,Modify the molecule CC(Oc1ccc(C#N)cc1)C(=O)NNS(=O)(=O)c1ccccc1Cl to have a higher QED value.,CC(Oc1ccc(C#N)cc1)C(=O)NS(=O)(=O)c1ccccc1Cl
AtomNum,"The molecule consists of 25 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",Cc1cc(-n2cccn2)ccc1C[NH+]1CCCC(CNC(=O)c2n[nH]c3ccccc23)C1
BondNum,"The molecule contains 18 single bonds, 4 double bonds, 10 rotatable bonds, and 12 aromatic bonds.",CNC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 4 halo groups.",FC(F)(F)c1ccc(C[NH+]2CCN(c3ncnc4n[nH]c(Br)c34)CC2)cc1
AddComponent,Add a amine to the molecule O=C(CN(C1CCCCC1)S(=O)(=O)c1cccc2cccnc12)Nc1ccon1.,Nc1cnc2c(S(=O)(=O)N(CC(=O)Nc3ccon3)C3CCCCC3)cccc2c1
SubComponent,Substitute a Cc1ccc(C(=O)NC2CCCC2)cc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)N3CCOCC3)c2)CC1 in the molecule halo with a carboxyl.,Cc1ccc(C(=O)NC2CCCC2)cc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)[OH])c(C(=O)N3CCOCC3)c2)CC1
DelComponent,Remove a C[NH+](C)C(C)(C)COc1ncc(Br)cc1F from the molecule halo.,C[NH+](C)C(C)(C)COc1ncccc1F
LogP,Optimize the molecule O=C(Nc1cc(F)c(I)c(F)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 to have a lower LogP value.,O=C(Nc1ccc(I)c(F)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1
MR,Please modify the molecule OCc1ccc(F)c2scc(Br)c12 to increase its MR value.,N#Cc1ccc(CO)c2c(Br)csc12
QED,Modify the molecule Cc1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCC4)c3)CC2)C(C)C)cc1NC(=O)c1cccc(Cl)c1 to decrease its QED value.,Cc1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(NO)c(C(=O)NC4CCCC4)c3)CC2)C(C)C)cc1NC(=O)c1cccc(Cl)c1
AtomNum,"The molecule contains 29 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCC(C(=O)[O-])[NH+](Cc1ccccc1)Cc1ccc(OCCN2CCCc3ccccc32)cc1
BondNum,"Please generate a molecule with 14 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=C(Nc1cccc(Cl)n1)c1ccc(CNC(=O)C2CCCCC2)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 1 ester group.",CCC1(OC(=O)c2cccc(OCc3ccc(C(CC(C)C)C(C)C)cc3)c2)CCCC1
AddComponent,Modify the molecule CCOc1ccc(C2C(C(=O)OC)=CN=c3sc(=Cc4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC by adding a hydroxyl.,CCOc1ccc(C2C(C(=O)OC)=CN=c3sc(=Cc4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OC(C)O
SubComponent,Modify the molecule halo by substituting a Nc1n[nH]c2cc(NC(=O)CC(COC(F)F)c3ccccc3)ncc12 with a hydroxyl.,Nc1n[nH]c2cc(NC(=O)CC(COC(O)F)c3ccccc3)ncc12
DelComponent,Modify the molecule halo by removing a O=C(Cc1ccc(F)cc1)NNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1.,O=C(Cc1ccccc1)NNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
LogP,Modify the molecule COc1ccccc1-c1nnc(SCCC2CCCC[NH+]2C)n1C to have a lower LogP value.,COc1nnc(SCCC2CCCC[NH+]2C)n1C
MR,Please modify the molecule CS(=O)(=O)NCCNc1cc(F)c(Br)cc1N to increase its MR value.,CS(=O)(=O)NCCNc1cc(O)c(Br)cc1N
QED,Optimize the molecule O=S(=O)(Cc1ccc(-c2ncccc2-c2cc(Br)cc(Br)c2)cc1F)Cc1ccc(-c2ncccc2-c2cc(Br)cc(Br)c2)cc1F to have a lower QED value.,N#Cc1cc(Br)cc(-c2cccnc2-c2ccc(CS(=O)(=O)Cc3ccc(-c4ncccc4-c4cc(Br)cc(Br)c4)cc3F)c(F)c2)c1
AtomNum,"The molecule contains 24 carbon atoms, 2 oxygen atoms, 6 nitrogen atoms, 1 chlorine atom, and 1 silicon atom.",CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-n3ncc4cc(Cl)ccc43)nc12
BondNum,"The molecule consists of 7 single bonds, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(C(Cl)C(C)c2ccncc2)cc1Cl
FunctionalGroup,"The molecule consists of 1 amine group, and 1 halo group.",Clc1nc(Nc2cc(-c3ccoc3)[nH]n2)c2ccccc2n1
AddComponent,Modify the molecule CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCC=CCCCCCC by adding a benzene ring.,CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCC=C(CCCCCC)c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(Cl)ccc3O)C2c2ccc(C(C)(C)C)cc2)cc1C(C)(C)C with a aldehyde.,CC(=O)c1ccc(Cl)cc1N1C(=O)C(=O)C(=C([O-])c2ccc(OC)c(C(C)(C)C)c2)C1c1ccc(C(C)(C)C)cc1
DelComponent,Remove a halo from the molecule COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(=O)CCSC1CC(=O)N(CCCCCCN3C(=O)C=CC3=O)C1=O)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2.,COc1cc2cc(c1)N(C)C(=O)CC(OC(=O)C(C)N(C)C(=O)CCSC1CC(=O)N(CCCCCCN3C(=O)C=CC3=O)C1=O)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2
LogP,Modify the molecule CC1(CNC(=O)C2Cc3ccccc3N2)CC1 to have a lower LogP value.,CC1(CNC(=O)C2Cc3ccccc3N2)CC1O
MR,Modify the molecule Cn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CCCCC2[NH3+] to decrease its MR value.,Cn1nc(C(F)F)cc1-c1ccc2c(c1)CCCCC2[NH3+]
QED,Modify the molecule CN(CCn1cccc(C(=O)[O-])c1=O)c1ccccc1 to decrease its QED value.,CN(c1ccccc1)C(O)Cn1cccc(C(=O)[O-])c1=O
AtomNum,"The molecule contains 19 carbon atoms, 3 oxygen atoms, 6 nitrogen atoms, and 3 fluorine atoms.",C[NH+]=C(NCCOc1ncccc1C(F)(F)F)N1CC[NH+](CC(=O)NCCOC)CC1
BondNum,"Please generate a molecule with 7 single bonds, 2 double bonds, 3 rotatable bonds, and 11 aromatic bonds.",O=C(CBr)Nc1cc2c(CBr)cc(=O)oc2cc1O
FunctionalGroup,There is a molecule with and 1 halo group.,O=c1nc(C2CCCCC2)c2cc(Cl)ccc2n1CC1CC1
AddComponent,Please add a benzene ring to the molecule CCOc1cc(Cl)ccc1S(=O)(=O)N(C)C.,CCOc1c(S(=O)(=O)N(C)C)ccc(Cl)c1-c1ccccc1
SubComponent,Substitute a CCCc1cc(C(=O)N2CC[NH+](CCO)CC2)n[nH]1 in the molecule hydroxyl with a halo.,CCCc1cc(C(=O)N2CC[NH+](CCF)CC2)n[nH]1
DelComponent,Please remove a hydroxyl from the molecule Cc1cccc(=O)n1Cc1ccccc1B(O)O.,Cc1cccc(=O)n1Cc1ccccc1BO
LogP,Modify the molecule C[NH+]1CCOC(C(=O)Cc2cccc(Cl)c2)C1 to have a lower LogP value.,C[NH+]1CCOC(C(=O)CCl)C1
MR,Modify the molecule O=C1NC2(CCc3ccccc31)CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2 to have a lower MR value.,O=C1NC2(CCc3ccccc31)CCN(S(=O)(=O)c1cccc(C(F)F)c1)C2
QED,Optimize the molecule Cc1cc(C(=O)COC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 to have a lower QED value.,Cc1cc(C(=O)COC(=O)COc2ccc(NO)cc2)c(C)n1-c1ccc(F)cc1
AtomNum,"The molecule has 13 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCn1ccnc1C(=O)c1ccc(S(C)(=O)=O)cc1
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 6 rotatable bonds, and 23 aromatic bonds.",NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2c(F)cc(F)cc2F)c1N
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 1 sulfone group.",CN(c1ccc(OCC(=O)N2CCCC2)cc1)S(C)(=O)=O
AddComponent,Add a benzene ring to the molecule CC1(C)CS(=O)(=O)N(c2cc(C(=O)N(Cc3ccccc3)c3ccccc3)ccc2Cl)C1=O.,CC1(C)CS(=O)(=O)N(c2cc(C(=O)N(Cc3ccccc3-c3ccccc3)c3ccccc3)ccc2Cl)C1=O
SubComponent,Modify the molecule CC=C(C(=N)COO)[N+](=O)[O-] by substituting a nitro with a halo.,CC=C(I=O)C(=N)COO
DelComponent,Please remove a COC(=O)NC(CC[NH+]1CCC2(CCN(Cc3ccc(S(C)(=O)=O)cc3)C2=O)CC1)c1ccccc1 from the molecule amide.,COC(=O)NC(CC[NH+]1CCCCC(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccccc1
LogP,Modify the molecule Cc1cc(=O)n(N2CCCCC2)c([O-])c1C#N to have a higher LogP value.,Cc1cc([O-])n(N2CCCCC2)c(=O)c1
MR,Please optimize the molecule CCOC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1ccc(Br)cc1 to have a higher MR value.,CCOC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1ccc(Br)c(N)c1
QED,Optimize the molecule COc1cncnc1C1CCN(c2nc(C3(F)CC3)nc3c(F)cc(N(C)CCO)cc23)CC1 to have a lower QED value.,COc1cncnc1C1CCN(c2nc(C3(F)CC3)nc3c(F)cc(N(C)CCC#N)cc23)CC1
AtomNum,"The molecule is composed of 41 carbon atoms, 5 oxygen atoms, 6 nitrogen atoms, and 2 fluorine atoms.",Cc1cc(F)ccc1NC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccccc3C(=O)Nc3ccccc3F)CC2)c1C
BondNum,"There is a molecule consisting of 3 single bonds, 1 rotatable bond, and 10 aromatic bonds.",Cc1onc(-c2cscn2)c1C
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ester group, 1 amine group, 4 halo groups, and 1 sulfide group.",CCOC(=O)C1=C(C[NH+]2C3CC(CC(=O)[O-])CC2C2(F)CC32F)NC(c2nccs2)=NC1c1cccc(F)c1Cl
AddComponent,Please add a amine to the molecule CCCCCCCC(C)(C)C=CCC=CCC=CCC=CCCCC(=O)NCc1ccc(O)c(OC)c1.,CCCCCCCC(C)(C)C=CCC=CCC=CCC=CCCCC(=O)NCc1cc(OC)c(O)cc1N
SubComponent,Please substitute a halo in the molecule CCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O with a nitro.,CCCCNC(=O)C(C)N(Cc1ccc(NO)cc1)C(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
DelComponent,Modify the molecule amide by removing a COc1cccc(CNC(=O)Cn2cnc(-c3ccccc3OC)cc2=O)c1.,COc1cccc(Cn2cnc(-c3ccccc3OC)cc2=O)c1
LogP,Please modify the molecule Cc1cc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)on1 to decrease its LogP value.,Cc1cc(NC(=O)C2CC(=O)N(Cc3ccccc3O)C2)on1
MR,Modify the molecule Cc1cc2ccccc2nc1Oc1cccc(Br)c1 to have a lower MR value.,Cc1cc2ccccc2nc1Oc1cccc(O)c1
QED,Please modify the molecule CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(OCC[NH3+])cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O to decrease its QED value.,CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2COCC[NH3+])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CCOCC(C)(CC(=O)[O-])[NH+](CC)CC
BondNum,"The molecule contains 7 single bonds, 1 double bond, 4 rotatable bonds, and 21 aromatic bonds.",Cc1nc(SCC(=O)Nc2c3ccccc3nc3ccccc23)oc1C
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amine groups, 1 halo group, and 2 sulfone groups.",CS(=O)(=O)Nc1ccc(NS(=O)(=O)CC(=O)[O-])cc1Cl
AddComponent,Add a benzene ring to the molecule CCOC(=O)c1cccc(NC(=O)NCC(NC(=O)c2ccc(C(=O)NCc3cccc(O)c3)cc2)C(=O)[O-])c1.,CCOC(=O)c1cc(NC(=O)NCC(NC(=O)c2ccc(C(=O)NCc3cccc(O)c3)cc2)C(=O)[O-])ccc1-c1ccccc1
SubComponent,Please substitute a O=C(Nc1ncccc1Br)c1cccc(C(F)(F)F)c1 in the molecule halo with a hydroxyl.,O=C(Nc1ncccc1O)c1cccc(C(F)(F)F)c1
DelComponent,Modify the molecule benzene ring by removing a COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3O)cc12.,COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=COCl)cc12
LogP,Optimize the molecule NC(=[NH+]Cc1ccc(F)c(Cl)c1)C1CCCC1 to have a higher LogP value.,NC(Cc1ccc(F)c(Cl)c1)C1CCCC1
MR,Please modify the molecule Cc1cc(=O)c2c(OCc3ccccc3CO)cc(OCc3cnc4ccccc4c3)cc2o1 to increase its MR value.,Cc1cc(=O)c2c(OCc3ccccc3CO)c(O)c(OCc3cnc4ccccc4c3)cc2o1
QED,Modify the molecule O=C(CNC(=O)c1ccc(Br)cc1)OCC(=O)c1ccc(Cl)s1 to have a lower QED value.,O=C(Br)NCC(=O)OCC(=O)c1ccc(Cl)s1
AtomNum,"There is a molecule with 23 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, 1 sulfur atom, and 1 fluorine atom.",Cc1ccc(-c2cc(-c3cc(C(=O)Nc4c(C)cccc4F)nn3C)c(C)s2)cn1
BondNum,"Please generate a molecule with 12 single bonds, 1 triple bond, and 9 rotatable bonds.",COCCOCCOCCC(N)C#N
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amide groups, and 2 halo groups.",CC(C)C1NC(=O)C(C)N(c2ccc(F)c(Br)c2)C1=O
AddComponent,Please add a benzene ring to the molecule CCOc1ccc(N2C(=O)C3CNNC3[NH+]=C2SCC(=O)Nc2cccc(C)c2C)cc1.,Cc1cccc(NC(=O)CSC2=[NH+]C3NNCC3C(=O)N2c2ccc(OC(C)c3ccccc3)cc2)c1C
SubComponent,Modify the molecule halo by substituting a Cn1c(CC2(C(=O)[O-])CCCCC2)nc2cc(Br)ccc21 with a aldehyde.,CC(=O)c1ccc2c(c1)nc(CC1(C(=O)[O-])CCCCC1)n2C
DelComponent,Remove a benzene ring from the molecule Cc1ccc(NC2C(C)CCCC2C)cc1O.,CONC1C(C)CCCC1C
LogP,Modify the molecule Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc12 to decrease its LogP value.,Cc1nn(Cc2ccc(C(=O)[OH])cc2)c2sc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc12
MR,Please optimize the molecule COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 to have a lower MR value.,COC(OCc1cccc([N+](=O)[O-])c1)=C1SC(=S)N(c2ccccc2)C1=O
QED,Optimize the molecule Nc1[nH]c(Cc2cc([N+](=O)[O-])ccc2[O-])c[nH+]1 to have a lower QED value.,Nc1[nH]c(C([O-])[N+](=O)[O-])c[nH+]1
AtomNum,"The molecule consists of 23 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CCNC(NCC1(OC)CCOCC1)=[NH+]Cc1cccc(OC)c1OC1CCCC1
BondNum,"The molecule has 15 single bonds, 2 double bonds, 11 rotatable bonds, and 23 aromatic bonds.",COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NCc3ccccn3)Cc3ccccc3)no2)c1
FunctionalGroup,Please generate a molecule with and 2 amine groups.,CCC1CC(N)=[NH+]N=C1c1cc2c(cc1OC)CC(C)O2
AddComponent,Please add a benzene ring to the molecule c1csc(-c2nc3ccccc3nc2N2CC[NH2+]CC2)c1.,c1ccc(-c2cccc3nc(-c4cccs4)c(N4CC[NH2+]CC4)nc23)cc1
SubComponent,Substitute a halo in the molecule O=C(c1cnccn1)c1occc1Br with a hydroxyl.,O=C(c1cnccn1)c1occc1O
DelComponent,Modify the molecule benzene ring by removing a O=C(NCC1CCCCC1c1ccccc1)NC1CCC2C[NH2+]CC2C1.,O=C(NCC1CCCCC1)NC1CCC2C[NH2+]CC2C1
LogP,Please modify the molecule C[Si](C)(C)CCOCn1c(OC2COC3C(O)COC23)nc2cc(Cl)c(-c3ccc(-c4ccnc(CN=S(C)(C)=O)c4)cc3)nc21 to decrease its LogP value.,C[Si](C)(C)CCOCn1c(OC2COC3C(O)COC23)nc2cc(Cl)c(-c3ccnc(CN=S(C)(C)=O)c3)nc21
MR,Optimize the molecule O=C(CBr)CN(C(=O)C(F)(F)C(F)F)C1CCS(=O)(=O)C1 to have a lower MR value.,ONCC(=O)CN(C(=O)C(F)(F)C(F)F)C1CCS(=O)(=O)C1
QED,Optimize the molecule OC(COCC1CCCO1)CN1CCN(CC2CC2)c2ccccc21 to have a lower QED value.,OC(COCC1OCCC1c1ccccc1)CN1CCN(CC2CC2)c2ccccc21
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",O=C(c1cc(-c2ccccc2)no1)N1CCC(O)C([NH+]2CCOCC2)CC1
BondNum,"Please generate a molecule with 22 single bonds, 1 double bond, 9 rotatable bonds, and 18 aromatic bonds.",COc1ccc(OCC[NH+]2CCOCC2)cc1Nc1ncc(Cl)c(Nc2cccc3c2C(=O)N(C)C3)n1
FunctionalGroup,The molecule consists of and 1 sulfone group.,O=C(N1CCS(=O)(=O)CC1)N(CC1CCOC1)C1CC1
AddComponent,Add a benzene ring to the molecule CCc1cc2scc(C)c2nc1NN.,CCc1cc2scc(Cc3ccccc3)c2nc1NN
SubComponent,Modify the molecule halo by substituting a COCC(CC(=O)OC)c1ccc(NC2(CC(C)C)CCC(OC)CC2)c(NC(=O)Nc2ccc(Cl)cc2F)c1 with a hydroxyl.,COCC(CC(=O)OC)c1ccc(NC2(CC(C)C)CCC(OC)CC2)c(NC(=O)Nc2ccc(O)cc2F)c1
DelComponent,Remove a O=C1C(F)=CC=C2c3ccc(F)cc3C(c3ccccc3)(n3cnc(=S)[nH]3)C12 from the molecule benzene ring.,O=C1C(F)=CC=C2c3ccc(F)cc3C(n3cnc(=S)[nH]3)C12
LogP,Please modify the molecule CCCCC(C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Br to increase its LogP value.,CCCCC(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Br
MR,Optimize the molecule COc1ccc(C(N)=S)c(N(C)CCO)c1 to have a higher MR value.,CC(=O)CCN(C)c1cc(OC)ccc1C(N)=S
QED,Optimize the molecule CC1CN(NC2CCCCC2OCc2ccccc2)CC(C)[NH2+]1 to have a higher QED value.,CC1CN(C2CCCCC2OCc2ccccc2)CC(C)[NH2+]1
AtomNum,"Please generate a molecule composed of 28 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",COC12CCC(NC(=O)C=Cc3ccoc3C)CC1(c1cccc(O)c1)CC[NH+](CC1CC1)C2
BondNum,"The molecule contains 4 single bonds, 1 double bond, 2 rotatable bonds, and 10 aromatic bonds.",NC(=O)c1ccc2[nH+]c(CCl)cn2c1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 1 amine group.",CCOc1cccc(NCC(=O)Nc2ccc(C)cc2C)c1
AddComponent,Please add a hydroxyl to the molecule c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3-c3ccc(-c4ccccc4)cc3)cc2)cc#1.,Oc1c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)ccc(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(-c2cc#ccc2)cc1
SubComponent,Substitute a O=C(c1c(-n2cnnn2)sc2c1CCCC2)N1CCC(O)(c2ccc(Cl)cc2)CC1 in the molecule halo with a carboxyl.,O=C([OH])c1ccc(C2(O)CCN(C(=O)c3c(-n4cnnn4)sc4c3CCCC4)CC2)cc1
DelComponent,Please remove a CCOc1ccc2scc(O)c2c1[S-] from the molecule hydroxyl.,CCOc1ccc2sccc2c1[S-]
LogP,Please modify the molecule CS(=O)(=NC(=O)c1cncc(C#Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1)C1C=CC=CC1 to increase its LogP value.,CS(=O)(=NC(=O)c1cncc(C#Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1)C1C=CC=C(S)C1
MR,Optimize the molecule C=CCN1C(=O)C(c2ccc(OCC(C)C)cc2)=C([NH+]2CCN(C)CC2)C1=O to have a higher MR value.,C=C(CN1C(=O)C(c2ccc(OCC(C)C)cc2)=C([NH+]2CCN(C)CC2)C1=O)C(=O)O
QED,Modify the molecule O=C(CSc1ccc2ccccc2c1)OCC(=O)c1ccc(Cl)s1 to have a lower QED value.,O=C(CSc1cc(C(=O)O)c2ccccc2c1)OCC(=O)c1ccc(Cl)s1
AtomNum,"There is a molecule consisting of 19 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",O=C(NCC(=O)N1CCCC2(CC2)C1)c1cc(-c2ccccc2)on1
BondNum,"The molecule contains 19 single bonds, 13 rotatable bonds, and 17 aromatic bonds.",c1ccc(OCCSCc2nnc(-c3ccc(OCCCC[NH+]4CCOCC4)cc3)o2)cc1
FunctionalGroup,"The molecule contains 6 benzene ring groups, and 2 ester groups.",CC(=COc1ccc(Oc2ccccc2)cc1)C(=O)OCCCOc1c(C)cc(-c2cc(C)c(OCCCOC(=O)C(C)=COc3ccc(Oc4ccccc4)cc3)c(C)c2)cc1C
AddComponent,Please add a benzene ring to the molecule O=C(c1ccccc1Cl)N1CCCC(c2[nH+]ccn2CC2CC2)C1.,O=C(c1cccc(-c2ccccc2)c1Cl)N1CCCC(c2[nH+]ccn2CC2CC2)C1
SubComponent,Please substitute a halo in the molecule CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)C2c2ccccc2OC)cc1 with a carboxyl.,CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)[OH])c(F)c3F)C2c2ccccc2OC)cc1
DelComponent,Remove a halo from the molecule Nc1cnc(Nc2cccc(Cl)c2F)cn1.,Nc1cnc(Nc2cccc(Cl)c2)cn1
LogP,Please modify the molecule CS(=O)(=O)c1cccc(NC(=O)C(=Cc2ccco2)n2nnnc2-c2ccccc2)c1 to increase its LogP value.,CS(=O)(=O)c1ccc(-c2ccccc2)c(NC(=O)C(=Cc2ccco2)n2nnnc2-c2ccccc2)c1
MR,Modify the molecule COc1ccc(C(NC(=O)c2cncn2C)C2CC(O)C2)cn1 to have a higher MR value.,COc1ccc(C(NC(=O)c2cncn2CC(=O)O)C2CC(O)C2)cn1
QED,Optimize the molecule Cc1cccc(C)c1OC(C)C(=O)Nc1ccc(C2(c3ccc(NC(=O)C(C)Oc4c(C)cccc4C)cc3)c3ccccc3-c3ccccc32)cc1 to have a higher QED value.,Cc1cccc(C)c1OC(C)C(=O)Nc1ccc(C2(NC(=O)C(C)Oc3c(C)cccc3C)c3ccccc3-c3ccccc32)cc1
AtomNum,"Please generate a molecule consisting 34 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",OC(c1ccccc1)(c1ccccc1)C1CC[NH+](CCCCc2ccc(-c3ccccc3)cc2)CC1
BondNum,"The molecule has 18 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",O=C(CCC(F)(F)F)N1CCc2c(C[NH+]3CCCC3)cccc21
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 1 amide group, 1 amine group, 1 halo group, 1 thioether group, 1 sulfide group, and 1 sulfone group.",COc1ccc(Cl)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1cccc(SC)c1
AddComponent,Add a benzene ring to the molecule CCc1nc2c(C)cc(C)nc2n1-c1ccc(C(=C(C(=O)[O-])C(=O)[O-])c2ccccc2)cc1.,CCc1nc2c(Cc3ccccc3)cc(C)nc2n1-c1ccc(C(=C(C(=O)[O-])C(=O)[O-])c2ccccc2)cc1
SubComponent,Modify the molecule COc1ccc(-c2nc3c(Br)cccn3c2N)cc1Br by substituting a halo with a hydroxyl.,COc1ccc(-c2nc3c(O)cccn3c2N)cc1Br
DelComponent,Modify the molecule Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Br)cc1 by removing a benzene ring.,Cc1ccc(Cl)cc1NC(=O)COC(=O)Br
LogP,Modify the molecule CC1(C(=O)[O-])CCCCC1NC(=O)Nc1cccc(Cl)c1 to have a lower LogP value.,CC1(C(=O)[O-])CCCCC1NC(=O)Nc1cccc(C(=O)[OH])c1
MR,Modify the molecule CC1CC(C(=O)[O-])CN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 to increase its MR value.,CC1(c2ccccc2)CC(C(=O)[O-])CN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1
QED,Modify the molecule CC([NH3+])COc1cnn(C(C)C#N)c(=O)c1 to decrease its QED value.,CC([NH3+])COc1cnn(C(C)C(=O)[OH])c(=O)c1
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",CCCC(C)[NH2+]CCn1nc(OC)ccc1=O
BondNum,"The molecule contains 16 single bonds, 2 double bonds, and 2 rotatable bonds.",CC1CCC(NC(=O)NC(C)(C)C)(C(=O)[O-])CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 sulfide group.",O=c1[nH]c(=O)c2nc(-c3ccccc3)sc2[nH]1
AddComponent,Add a benzene ring to the molecule CC(CC[NH3+])S(=O)(=O)Cc1ccc(F)c(F)c1.,CC(C(C[NH3+])c1ccccc1)S(=O)(=O)Cc1ccc(F)c(F)c1
SubComponent,Modify the molecule halo by substituting a [NH3+]C(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1ccc(Cl)c(Cl)c1 with a aldehyde.,CC(=O)C(F)(F)c1nnc2n1CCN(C(=O)CC([NH3+])Cc1ccc(Cl)c(Cl)c1)C2
DelComponent,Please remove a amide from the molecule CCCN(CC(=O)N(C)C)S(=O)(=O)C1CCCC1C(=O)[O-].,CCCN(CC)S(=O)(=O)C1CCCC1C(=O)[O-]
LogP,Modify the molecule OC1C[NH+](Cc2ccccc2-c2ccco2)CC1N1CCN(c2ccccn2)CC1 to decrease its LogP value.,O=C(O)C1(O)C[NH+](Cc2ccccc2-c2ccco2)CC1N1CCN(c2ccccn2)CC1
MR,Modify the molecule Cc1cccc(C(=O)NN=Cc2cccc(Br)c2)c1 to have a lower MR value.,Cc1cccc(C(=O)NN=Cc2cccc(C#N)c2)c1
QED,Modify the molecule O=C(OCc1ccccc1C(F)(F)F)c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc([N+](=O)[O-])c(OCc6ccccc6)c5)cc4)c4ccccc4-c4ccccc43)cc2)cc1 to increase its QED value.,O=C(OCc1ccccc1C(O)(F)F)c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc([N+](=O)[O-])c(OCc6ccccc6)c5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
AtomNum,"Please generate a molecule composed of 21 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCOc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
BondNum,"The molecule consists of 8 single bonds, 1 triple bond, 5 rotatable bonds, and 18 aromatic bonds.",C#CC(O)(c1ccc(CO)cc1)c1ccc(Cc2ccccc2)cc1
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 2 halo groups.",COc1ccc(C(C)[NH2+]Cc2ccccc2Cl)c(F)c1
AddComponent,Please add a hydroxyl to the molecule CC(O)(C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)COc1ccccc1C#N.,CC(O)(COc1ccccc1C#N)C(O)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1
SubComponent,Substitute a hydroxyl in the molecule CC(C(N)=[NH+]O)N(C)C(=O)C1CCCc2ccccc21 with a thiol.,CC(C(N)=[NH+]S)N(C)C(=O)C1CCCc2ccccc21
DelComponent,Modify the molecule hydroxyl by removing a O=CN(O)CCNC(=O)c1ccsc1.,O=CNCCNC(=O)c1ccsc1
LogP,Optimize the molecule CCOc1ccccc1C(c1ccc(Br)cc1)[NH+]1CCCC(C(=O)[O-])C1 to have a lower LogP value.,CCOc1ccccc1C(c1ccc(O)cc1)[NH+]1CCCC(C(=O)[O-])C1
MR,Please optimize the molecule COc1ccc(C=C(C#N)c2ccc(C(C#N)=Cc3ccc(OC)cc3)s2)cc1 to have a lower MR value.,COc1ccc(C=Cc2ccc(C(C#N)=Cc3ccc(OC)cc3)s2)cc1
QED,Modify the molecule C[NH2+]C1CCN(C(=O)c2ccccc2SCc2c(C)noc2C)CC1 to have a lower QED value.,C[NH2+]C1CCN(C(=O)c2c(O)cccc2SCc2c(C)noc2C)CC1
AtomNum,"There is a molecule composed of 14 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",CC(C)Cc1nn(-c2ccccc2)c(Cl)c1C=O
BondNum,"There is a molecule consisting of 13 single bonds, 1 double bond, 7 rotatable bonds, and 5 aromatic bonds.",CCc1nn(CC)c(C[NH2+]C(C)(CC)C(=O)[O-])c1Br
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amine group, and 1 halo group.",CN(C=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(Cl)c2)n3C)ccn1
AddComponent,Modify the molecule CC12CC=C3C(CCC4=CC(=O)CCC43C(F)(F)F)C1=CCC2=O by adding a hydroxyl.,CC12CC=C3C(CCC4=CC(=O)CCC43C(F)(F)F)C1=C(O)CC2=O
SubComponent,Please substitute a halo in the molecule CC(=O)c1ccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)CC2)c(F)c1 with a nitrile.,CC(=O)c1ccc(N2CCN(C(=O)c3nn(-c4ccc(C#N)cc4)c4c3CCCC4)CC2)c(F)c1
DelComponent,Remove a benzene ring from the molecule C=CCCc1ccc(C2CCC(C3CCC(C4CCC(CCC)C4)CC3)CC2)cc1.,C=CCCC1CCC(C2CCC(C3CCC(CCC)C3)CC2)CC1
LogP,Please optimize the molecule FC(F)=C(F)C(F)(Br)C(F)(F)F to have a lower LogP value.,FC(F)=CC(F)(Br)C(F)(F)F
MR,Optimize the molecule COCCN(CCC(=O)Nc1ccccc1)C(=O)c1csc(Nc2cc(Cl)ccc2C)n1 to have a higher MR value.,COCCN(CCC(=O)Nc1ccccc1)C(=O)c1csc(Nc2cc(C(=O)[OH])ccc2C)n1
QED,Please optimize the molecule CCCC(C)(OC(F)(F)C(F)(C(F)(F)F)C(C)(CC)OC(F)(F)C(F)(F)OC(C)(CC)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)C(F)(C(=O)F)C(F)(F)F)C(F)(C(=O)F)C(F)(F)F to have a higher QED value.,CCCC(C)(OC(F)C(F)(C(F)(F)F)C(C)(CC)OC(F)(F)C(F)(F)OC(C)(CC)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)C(F)(C(=O)F)C(F)(F)F)C(F)(C(=O)F)C(F)(F)F
AtomNum,"There is a molecule composed of 8 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 2 fluorine atoms, and 1 chlorine atom.",COc1cc(F)c(C[NH3+])c(F)c1Cl
BondNum,"Please generate a molecule consisting 13 single bonds, 3 double bonds, 2 rotatable bonds, and 6 aromatic bonds.",O=C1CN(C(=O)Nc2c(F)cccc2F)C(C(=O)[O-])CN1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 4 halo groups, and 1 nitrile group.",N#Cc1ccc(-c2cc(C(F)(F)F)ccc2F)[nH]c1=S
AddComponent,Add a carboxyl to the molecule Cc1ccc(CS(=O)CC(=O)Nc2cccc(Cl)c2C)cc1.,Cc1ccc(C(C(=O)O)S(=O)CC(=O)Nc2cccc(Cl)c2C)cc1
SubComponent,Substitute a halo in the molecule Ic1cccc(COCC2CCC[NH2+]2)c1 with a thiol.,Sc1cccc(COCC2CCC[NH2+]2)c1
DelComponent,Please remove a COc1cccnc1NC(=S)NCCC[NH+]1CCCCC1 from the molecule amine.,COc1cccnc1NC(=S)CCC[NH+]1CCCCC1
LogP,Please modify the molecule [NH3+]CCCCNC(=O)c1cc(Br)c(Br)[nH]1 to decrease its LogP value.,[NH3+]CCCCNC(=O)c1cc(O)c(Br)[nH]1
MR,Modify the molecule COc1ccc(S(=O)(=O)NC#N)cc1N to have a lower MR value.,COc1ccc(S(=O)(=O)NNO)cc1N
QED,Optimize the molecule CCC(C)(C)C(=O)N1CC[NH2+]C1 to have a lower QED value.,CC(C)(CCO)C(=O)N1CC[NH2+]C1
AtomNum,"The molecule contains 13 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(C)c1nc(-c2ccc(CC[NH3+])cc2)no1
BondNum,"There is a molecule with 6 single bonds, 1 rotatable bond, and 10 aromatic bonds.",COc1ccc2occ(C(F)(F)F)c2c1
FunctionalGroup,"The molecule contains 3 benzene ring groups, and 1 hydroxyl group.",CCCCOC(O)C(OCCCC)C(OCCCC)C(COCCC(OCCCC)C(OCCCC)C(OCCCC)C(OCCCC)OCC(OCCCC)C(OCCCC)C(OCCCC)C(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCC)OCCCC
AddComponent,Modify the molecule Cc1c(-c2ccc(C(F)(F)F)cc2)nn(CC(C)C)c(=O)c1N1CC[NH+](C)CC1 by adding a hydroxyl.,Cc1c(-c2ccc(C(F)(F)F)cc2)nn(CC(C)C)c(=O)c1N1CC[NH+](C)C(O)C1
SubComponent,Substitute a nitrile in the molecule N#CC(C(=O)C1CC2CCC1C2)c1cccc(F)c1 with a aldehyde.,CC(=O)C(C(=O)C1CC2CCC1C2)c1cccc(F)c1
DelComponent,Remove a amide from the molecule CNC(=O)C(C)Nc1ccccc1Oc1ccccc1.,CCNc1ccccc1Oc1ccccc1
LogP,Optimize the molecule CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)NC4CC4)cnc23)cc1OCC to have a higher LogP value.,CCOc1ccc(-c2c(C)nn3c2nc-c3(C)C2CC2)cc1OCC
MR,Please modify the molecule Cc1c(C(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)oc2c(F)cccc12 to increase its MR value.,Cc1c(C(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2CC=O)oc2c(F)cccc12
QED,Please optimize the molecule COc1cc(-n2cccc2)c(Cl)cc1C(=O)NC(C)C1CC1 to have a lower QED value.,COc1cc(-n2cccc2)c(O)cc1C(=O)NC(C)C1CC1
AtomNum,"The molecule is composed of 21 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",O=C(Cc1ccc(F)cc1)NCC(Cc1ccccc1)[NH+]1CCOCC1
BondNum,"The molecule has 11 single bonds, 3 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",Cc1ccccc1C(=O)Nc1ccc(C(=O)C2CNc3ccccc3S2=O)cc1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 ester group, 1 amide group, 1 thioether group, and 1 sulfide group.",COc1ccccc1-c1nc(SCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)n[nH]1
AddComponent,Modify the molecule CC1CCN(C(=O)C2CCCN2C(N)=O)CC12CCC2 by adding a hydroxyl.,CC1(O)CCN(C(=O)C2CCCN2C(N)=O)CC12CCC2
SubComponent,Please substitute a halo in the molecule Cc1nn(C)c(Cn2cc(CCCC[NH3+])nn2)c1Cl with a aldehyde.,CC(=O)c1c(C)nn(C)c1Cn1cc(CCCC[NH3+])nn1
DelComponent,Remove a halo from the molecule Cc1cc(F)ccc1-c1[nH]c(=O)nc2c1ccc(=O)n2-c1c(F)cccc1F.,Cc1cc(F)ccc1-c1[nH]c(=O)nc2c1ccc(=O)n2-c1ccccc1F
LogP,Modify the molecule Cc1c(CC[NH3+])nc2c(Br)cccn12 to have a lower LogP value.,Cc1c(CC[NH3+])nc2ccccn12
MR,Optimize the molecule CC(=O)N1CCN(c2ccc(CCc3ccc(COC(=O)NN)cc3F)nc2)CC1 to have a lower MR value.,NNC(=O)OCc1ccc(CCc2ccc(N3CCCC3)cn2)c(F)c1
QED,Optimize the molecule CC(c1nc2ccccc2c(=O)n1C)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 to have a lower QED value.,CC(c1nc2ccccc2c(=O)n1C)[NH+]1CCN(C(=O)c2ccc(NO)cc2)CC1
AtomNum,"Please generate a molecule composed of 16 carbon atoms, 5 nitrogen atoms, and 1 sulfur atom.",C[NH+]=C(NCC1CC[NH+](C)C1)N1CCN(c2cccs2)CC1
BondNum,"The molecule consists of 19 single bonds, 2 double bonds, 4 rotatable bonds, and 18 aromatic bonds.",COc1ccc(C2CC(=O)C3=C(C2)Nc2ccccc2NC3c2ccc(OC(F)(F)F)cc2)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 4 amide groups.",CCOc1ccc(CCCNC(=O)C2CC(=O)N3CCCC3C(=O)NCCOc3ccccc3C(=O)N2)cc1OC
AddComponent,Add a benzene ring to the molecule CC1OCCC1C(=O)NC1CC[NH+](CC(N)=S)CC1.,CC1OC(c2ccccc2)CC1C(=O)NC1CC[NH+](CC(N)=S)CC1
SubComponent,Substitute a CCNC(c1cn(C)nc1CC)C(F)(F)F in the molecule halo with a aldehyde.,CC(=O)C(F)(F)C(NCC)c1cn(C)nc1CC
DelComponent,Please remove a benzene ring from the molecule CN(C(=O)C[NH+]1CCCCC1)c1ccc(N=C(c2ccccc2)c2c(O)[nH]c3ccc(N(C)S(=O)(=O)c4ccccc4)cc23)cc1.,CN(N=C(c1ccccc1)c1c(O)[nH]c2ccc(N(C)S(=O)(=O)c3ccccc3)cc12)C(=O)C[NH+]1CCCCC1
LogP,Modify the molecule C=CCC1CCC(c2ccc(-c3ccc(CCC4CCC(CCCCCF)CC4)cc3)cc2)CC1 to have a lower LogP value.,C=CCC1CCC(c2ccc(-c3ccc(CCC4CCC(CCCCCO)CC4)cc3)cc2)CC1
MR,Optimize the molecule CCCCCCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C(=O)NCC(=O)OC)c1ccccc1C to have a lower MR value.,CCCCCCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C(=O)NCC(=O)OC
QED,Modify the molecule O=C(Nc1nncc2ccccc12)c1ccccc1 to have a lower QED value.,O=CNc1nncc2ccccc12
AtomNum,"The molecule consists of 19 carbon atoms, 7 oxygen atoms, and 2 nitrogen atoms.",CC(C)(C)OC(=O)NCC(=O)N1C(C(=O)[O-])CC(C(=O)[O-])C1c1ccccc1
BondNum,"Please generate a molecule consisting 13 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)C(CS)COc1c(Br)cc([N+](=O)[O-])cc1Br
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 2 amine groups.",Cc1ccc(Nc2nc(C)cc(Nc3c(C)cccc3C)n2)cc1
AddComponent,Add a hydroxyl to the molecule CC(C)c1cc(C(=O)[O-])cc(OC(C)C(C)C)n1.,CC(CO)c1cc(C(=O)[O-])cc(OC(C)C(C)C)n1
SubComponent,Please substitute a C[NH+](C)CCCC(c1ccc(Cl)cc1)c1ccccn1 in the molecule halo with a nitro.,C[NH+](C)CCCC(c1ccc(NO)cc1)c1ccccn1
DelComponent,Remove a CC(C)CCOc1c(Br)c(Sc2ccccc2N)c(OCCC(C)C)c2c1C(=[NH2+])[NH+]=C2N from the molecule halo.,CC(C)CCOc1cc(Sc2ccccc2N)c(OCCC(C)C)c2c1C(=[NH2+])[NH+]=C2N
LogP,Please modify the molecule O=C1CCC(C2CCOC3(CCC3)C2)CC1 to increase its LogP value.,O=C1CCC(C2CCOC3(CCC3)C2)C(c2ccccc2)C1
MR,Modify the molecule Cc1ccc(-c2c(NS(=O)(=O)C=Cc3cccs3)nc(-c3ncccn3)nc2OCCOc2ncc(Br)cn2)cc1 to have a lower MR value.,Cc1ccc(-c2c(NS(=O)(=O)C=Cc3cccs3)nc(-c3ncccn3)nc2OCCOc2ncc(O)cn2)cc1
QED,Modify the molecule Cc1ccc(CC(CO)(CO)c2ccccc2C)cc1 to have a lower QED value.,Cc1ccc(CC(CO)(CS)c2ccccc2C)cc1
AtomNum,"The molecule is composed of 24 carbon atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCCCCCCCCCCCCCCCCCN(C)C(SC)=[N+](C)C
BondNum,"The molecule consists of 60 single bonds, 2 double bonds, and 45 rotatable bonds.",C=CC(=O)N(CC(O)COCCC[SiH](C(O[SiH2]C)(O[SiH2]C)O[SiH2]C)C(O[SiH2]C)(O[SiH2]C)O[SiH2]C)CC(O)COCCC[SiH](C(O[SiH2]C)(O[SiH2]C)O[SiH2]C)C(O[SiH2]C)(O[SiH2]C)O[SiH2]C
FunctionalGroup,"The molecule contains 1 amide group, 1 thioether group, and 1 sulfide group.",CCn1c(SCC(=O)NC(=O)NC2CCCCC2)nnc1N1CCOCC1
AddComponent,Add a hydroxyl to the molecule CC(=O)Oc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1-c1ccccc1.,CC(=O)Oc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1-c1ccccc1O
SubComponent,Modify the molecule halo by substituting a CCC(CC)[NH+]1CCOCC(O)(COc2ccc(Cl)cc2)C1 with a nitro.,CCC(CC)[NH+]1CCOCC(O)(COc2ccc(NO)cc2)C1
DelComponent,Remove a CCCC(C)Oc1ncnc(OC(C)C)c1N from the molecule amine.,CCCC(C)Oc1cc(OC(C)C)ncn1
LogP,Modify the molecule FC(F)(CN1CCC([NH2+]CC2CC2)CC1)c1ccccc1 to have a lower LogP value.,O=C(O)C1CN(CC(F)(F)c2ccccc2)CCC1[NH2+]CC1CC1
MR,Modify the molecule CCCCCCNc1nc(Nc2nc(CC)nc(N3CC[NH+](C)CC3)n2)c(C[NH2+]C)nc1Cl to have a lower MR value.,CCCCCCNc1nc(Nc2nc(CC)nc(N3CC[NH+](C)CC3)n2)c(C[NH2+]C)nc1C#N
QED,Please optimize the molecule O=C(NCc1cccc(Br)c1)C1(O)CCSC1 to have a lower QED value.,O=C(NCc1cccc(S)c1)C1(O)CCSC1
AtomNum,"There is a molecule composed of 14 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CCC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
BondNum,"The molecule is composed of 14 single bonds, 1 double bond, 6 rotatable bonds, and 6 aromatic bonds.",CNc1ncnc(NCC(C)[NH+]2CCCC2)c1[N+](=O)[O-]
FunctionalGroup,The molecule is composed of and 1 ester group.,CCOC(=O)C1CCN(c2nccc(OCC)n2)CC1
AddComponent,Add a benzene ring to the molecule CCCN(CCC)C(=O)CCN1C(=O)C2CCCCC2C1=O.,CCCN(CCC)C(=O)CC(c1ccccc1)N1C(=O)C2CCCCC2C1=O
SubComponent,Modify the molecule C[NH2+]C(CN1CCC(F)(F)C1)c1ccccc1 by substituting a halo with a nitro.,C[NH2+]C(CN1CCC(F)(NO)C1)c1ccccc1
DelComponent,Modify the molecule Cc1cc(N(C)CCc2ccccc2)[n+](OS(=O)(=O)O)c(N)n1 by removing a benzene ring.,CCN(C)c1cc(C)nc(N)[n+]1OS(=O)(=O)O
LogP,Please modify the molecule COC(=O)c1ccc(SCCC(=O)CO)cc1 to increase its LogP value.,COC(=O)c1ccc(SCCC(C)=O)cc1
MR,Optimize the molecule CCCCc1nnc(C(O)C(NC(=O)OC(C)(C)C)C(C)C)o1 to have a higher MR value.,CCCCc1nnc(C(C(=O)[OH])C(NC(=O)OC(C)(C)C)C(C)C)o1
QED,Please modify the molecule COc1cccc(OC)c1CCC(=O)c1ccc(C(F)(F)F)cc1 to decrease its QED value.,COc1cccc(OC)c1CCC(=O)c1ccc(C(F)(F)C(=O)[OH])cc1
AtomNum,"The molecule consists of 23 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+]C(C)c1cccc2ccccc12
BondNum,"The molecule is composed of 13 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",Cc1ccccc1C(=O)NCC(=O)N1CCC(c2nc3ccccc3s2)CC1
FunctionalGroup,"The molecule has 1 ester group, 1 amide group, and 1 halo group.",CCOC(=O)c1nnn(CC(=O)N2CCCCC2)c1CCl
AddComponent,Please add a benzene ring to the molecule O=S(=O)(CCS(=O)(=O)c1nc2ccccc2s1)c1ccccn1.,O=S(=O)(CCS(=O)(=O)c1nc2ccccc2s1)c1cccc(-c2ccccc2)n1
SubComponent,Modify the molecule Fc1cnc(NN=Cc2ccc(Nc3cccc(-c4nccs4)c3)cn2)nc1N1CCOCC1 by substituting a halo with a thiol.,Sc1cnc(NN=Cc2ccc(Nc3cccc(-c4nccs4)c3)cn2)nc1N1CCOCC1
DelComponent,Remove a O=CC1(c2cccc(F)c2)CCOCC1 from the molecule halo.,O=CC1(c2ccccc2)CCOCC1
LogP,Please optimize the molecule O=C(COc1ccc(Cl)c2cccnc12)NCc1ccccc1Cn1cncn1 to have a lower LogP value.,O=C(COc1cccc2cccnc12)NCc1ccccc1Cn1cncn1
MR,Modify the molecule CC(C)C(NC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(CC(=O)[O-])C(=O)[O-])C(C)O to have a higher MR value.,CC(C)C(NC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(CC(=O)[O-])C(=O)[O-])C(C)C(=O)[OH]
QED,Modify the molecule C[NH2+]C(Cc1ccc(C)cn1)c1ccc(F)cc1I to have a lower QED value.,C[NH2+]C(Cc1ccc(C)cn1)c1ccc(S)cc1I
AtomNum,"There is a molecule with 13 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",Cc1nc(S(=O)(=O)N2CCOC3CC[NH+](C)CC32)sc1C
BondNum,"The molecule is composed of 13 single bonds, 2 double bonds, 10 rotatable bonds, and 17 aromatic bonds.",COc1ccccc1C(=O)NNc1ncnc(NCCCn2ccnc2)c1[N+](=O)[O-]
FunctionalGroup,The molecule is composed of and 1 amide group.,O=C(C=Cc1nc2ccccc2o1)N1CC[NH+](Cc2cccc3ccccc23)CC1
AddComponent,Modify the molecule Cc1cc(Br)cc(C(Cl)Cc2ccc(Cl)c(Cl)c2)c1 by adding a benzene ring.,Cc1cc(Br)cc(C(Cl)Cc2ccc(Cl)c(Cl)c2)c1-c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule Cc1cc(C(C)C)c(C(C)C)c(O)c1C(C)C with a aldehyde.,CC(=O)c1c(C(C)C)c(C)cc(C(C)C)c1C(C)C
DelComponent,Please remove a COCC1(C(=O)N2CCN(S(N)(=O)=O)CC2)CC[NH2+]CC1 from the molecule amine.,COCC1(C(=O)N2CCN([SH](=O)=O)CC2)CC[NH2+]CC1
LogP,Modify the molecule c1cnc2c(c1)OCC(c1ccc(C[NH2+]C3CCCC3)cc1)O2 to have a lower LogP value.,c1cnc2c(c1)OCC(C[NH2+]C1CCCC1)O2
MR,Please modify the molecule CCCCCCCCCC[NH+]1CC(C(C)C(=O)[O-])C1 to increase its MR value.,CCCCCCCCCC[NH+]1CC(c2ccccc2)(C(C)C(=O)[O-])C1
QED,Optimize the molecule COc1ccc(S(=O)(=O)NCCc2nn3c(C)nnc3s2)cc1 to have a lower QED value.,COc1ccc(S(=O)(=O)NCCc2nn3c(C)nnc3s2)cc1-c1ccccc1
AtomNum,"The molecule has 22 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",CCCc1cc(=O)n2nc(NCc3c(OC(C)C)ccc4ccccc34)sc2n1
BondNum,"The molecule contains 17 single bonds, 2 double bonds, and 13 rotatable bonds.",CCCCCC(O)CCCCCCC(CC)S(=O)(=O)[O-]
FunctionalGroup,"The molecule is composed of 1 amine group, and 2 halo groups.",Cc1cnc(NCCC(C)Cl)c(Br)c1
AddComponent,Add a benzene ring to the molecule CCOc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3nc(-c4ccco4)nn3c2=O)cc1[N+](=O)[O-].,CCOc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc3nc(-c4ccc(-c5ccccc5)o4)nn3c2=O)cc1[N+](=O)[O-]
SubComponent,Substitute a CCC(CC)(CO)CNC(=O)c1ccc(C(C)C)cc1 in the molecule hydroxyl with a nitro.,CCC(CC)(CNO)CNC(=O)c1ccc(C(C)C)cc1
DelComponent,Please remove a Cc1ccc(NC(=O)CCc2ccccc2C)c(Br)c1 from the molecule benzene ring.,CCCC(=O)Nc1ccc(C)cc1Br
LogP,Please modify the molecule COc1ccc(C(C#N)N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)cc1 to increase its LogP value.,COc1ccc(C(Br)N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)cc1
MR,Optimize the molecule CN(C)C(=O)Oc1noc2ccc(Cl)cc12 to have a higher MR value.,CN(C)C(=O)Oc1noc2cc(-c3ccccc3)c(Cl)cc12
QED,Modify the molecule CCCNc1nc(NC(C)=O)nc2ccc(Br)cc12 to have a lower QED value.,CCCNc1nc(NC(C)=O)nc2ccc(C(=O)[OH])cc12
AtomNum,"The molecule has 12 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 3 fluorine atoms.",OC(Cc1ccccc1C(F)(F)F)Cn1cnnc1
BondNum,"Please generate a molecule composed of 15 single bonds, 2 double bonds, 9 rotatable bonds, and 24 aromatic bonds.",COC(=O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)c(C)c3)cc2)cn1
FunctionalGroup,There is a molecule composed of and 1 ester group.,CCOC(OC)Oc1cc2ccc(-c3ccc(C(=O)OC)cn3)cc2cc1C12CC3CC(CC(C3)C1)C2
AddComponent,Modify the molecule N#CC(=C[NH2+]CCCCCC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 by adding a hydroxyl.,N#CC(=C[NH2+]CCC(O)CCC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
SubComponent,Modify the molecule Cc1cc(Br)cc(NC(=O)Cn2nc(C)cc2C)c1 by substituting a halo with a carboxyl.,Cc1cc(NC(=O)Cn2nc(C)cc2C)cc(C(=O)[OH])c1
DelComponent,Remove a C=CCNc1nc(-c2nccc3c(=O)nc(COc4ccc(Cc5ccccc5)cc4)[nH]c23)cs1 from the molecule amine.,C=CCc1nc(-c2nccc3c(=O)nc(COc4ccc(Cc5ccccc5)cc4)[nH]c23)cs1
LogP,Modify the molecule NNc1cn2ccnc2c(N(CCO)CC(F)F)n1 to decrease its LogP value.,NNc1cn2ccnc2c(N(CCO)CC(F)C(=O)[OH])n1
MR,Please optimize the molecule O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ncccc1Br to have a lower MR value.,O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncccc1Br
QED,Modify the molecule CNC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)C1 to increase its QED value.,CNC(=O)C1CCCN(C(=O)c2ccc(C(C)(C)C)o2)C1
AtomNum,"Please generate a molecule with 22 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",COC1CC[NH+](C2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)CC1
BondNum,"Please generate a molecule with 11 single bonds, 8 rotatable bonds, and 11 aromatic bonds.",CC[NH+](CC)CCOc1nc(NC)nc(-n2cncn2)n1
FunctionalGroup,Please generate a molecule with and 3 benzene ring groups.,O=C(Nc1nc2ccccc2nc1Oc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1
AddComponent,Modify the molecule OC1CC[NH+](CCN2CCOCC2)C1 by adding a aldehyde.,O=CCC(CN1CCOCC1)[NH+]1CCC(O)C1
SubComponent,Substitute a CC(C)[NH+](CCCBr)Cc1cccc(F)c1Cl in the molecule halo with a thiol.,CC(C)[NH+](CCCS)Cc1cccc(F)c1Cl
DelComponent,Please remove a amide from the molecule Cc1nc(C2CCCOC2)sc1C(=O)N(C)Cc1nccs1.,Cs1c(C2CCCOC2)nc-1(C)Cc1nccs1
LogP,Please modify the molecule COCCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 to increase its LogP value.,COCCCS(=O)(=O)c1ccc2c(c1)CC(=O)N2
MR,Please optimize the molecule CCCCOC(=O)C(C)N(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(F)C1O)[P+](=O)Oc1ccc(C)cc1 to have a lower MR value.,CCCCOC(=O)C(C)N(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(F)C1O)[P+](=O)OC
QED,Modify the molecule O=C1CCCc2cn(CCCCCO)cc21 to have a higher QED value.,O=C1CCCc2cn(C(CCCCO)c3ccccc3)cc21
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CCNC(NCCS(=O)(=O)CC)=[NH+]CC(C)(O)c1cccs1
BondNum,"There is a molecule with 14 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",Nc1nsc2c1CN(C(=O)CC([NH3+])Cc1cc(F)c(F)cc1F)C2
FunctionalGroup,"Please generate a molecule composed of 2 benzene ring groups, and 3 amine groups.",CCNC(NC(C)c1ccccc1C)=[NH+]CC1CCOC1c1ccccc1
AddComponent,Please add a benzene ring to the molecule CCCc1ccc(-c2cn[nH]c2C[NH3+])cc1.,CCCc1ccc(-c2cn[nH]c2C[NH3+])c(-c2ccccc2)c1
SubComponent,Substitute a nitro in the molecule CCCc1cc([N+](=O)[O-])c([O-])c2c(=O)cc(C(=O)OCC)oc12 with a halo.,CCCc1cc(I=O)c([O-])c2c(=O)cc(C(=O)OCC)oc12
DelComponent,Modify the molecule halo by removing a [NH3+]C(CNc1ncc(-c2ccc3cnc(F)cc3c2)s1)Cn1ccc(C(F)(F)F)n1.,[NH3+]C(CNc1ncc(-c2ccc3cnccc3c2)s1)Cn1ccc(C(F)(F)F)n1
LogP,Modify the molecule Cc1ccccc1CSC(C)C(C)O to have a lower LogP value.,Cc1cc(O)ccc1CSC(C)C(C)O
MR,Please optimize the molecule O=C(CSc1nnnn1C1CC1)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 to have a higher MR value.,O=C(CSc1nnnn1C1CC1)NCCC[NH+]1CCN(c2cccc(C(O)(F)F)c2)CC1
QED,Modify the molecule O=C([O-])N(CCCF)Cc1ccc(Br)cc1 to increase its QED value.,CCCN(Cc1ccc(Br)cc1)C(=O)[O-]
AtomNum,"The molecule has 14 carbon atoms, and 3 oxygen atoms.",COC(=O)C=CCCCCC1(C)C=CC(=O)C1
BondNum,"The molecule contains 15 single bonds, 4 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",COC(=O)C(NC(=O)c1ccc(CNC(=O)C(C)=Cc2ccccc2)cc1)C(C)C
FunctionalGroup,"The molecule contains 1 benzene ring group, and 2 amine groups.",Nc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1
AddComponent,Modify the molecule Cc1nc(N2CCS(=O)(=O)CC2)ncc1C(C)C by adding a benzene ring.,Cc1nc(N2CCS(=O)(=O)CC2)ncc1C(C)Cc1ccccc1
SubComponent,Modify the molecule halo by substituting a CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)ccc1O with a aldehyde.,CC(=O)c1ccc(O)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1
DelComponent,Remove a amine from the molecule Cn1nnc(CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])c1N.,Cn1cc(CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1
LogP,Please modify the molecule c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)n3)c2)cc1 to decrease its LogP value.,c1ccc(-c2cccc(-c3ncnc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)n3)c2)cc1
MR,Please modify the molecule CCC(=O)NCCSc1c(NC(=O)CCCC[NH+]=C(N)N)cc(Cl)cc1NC(=O)C1=CC(C(=O)Nc2cc(Cl)cc(NC(=O)CCCCC[NH+]=C(N)N)c2SCCNC=O)=C(CC)CC=N1 to decrease its MR value.,CCC(=O)NCCSc1c(NC(=O)CCCCC(N)N)cc(Cl)cc1NC(=O)C1=CC(C(=O)Nc2cc(Cl)cc(NC(=O)CCCCC[NH+]=C(N)N)c2SCCNC=O)=C(CC)CC=N1
QED,Please optimize the molecule Cc1cn(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)CC(C)C)c6)c(F)c45)nc23)cn1 to have a higher QED value.,Cc1cn(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)CC(C)C)c6)cc45)nc23)cn1
AtomNum,"The molecule consists of 22 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 fluorine atoms.",O=C(Cc1ccc(F)cc1)N1CCc2[nH]c(Cc3ccc(F)cc3)nc(=O)c2C1
BondNum,"Please generate a molecule composed of 14 single bonds, 2 double bonds, 5 rotatable bonds, and 15 aromatic bonds.",CC[NH+]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1c1ncc[nH]1
FunctionalGroup,Please generate a molecule consisting and 2 benzene ring groups.,Cn1c(Cc2ccc(-c3ccccc3)cc2)c(CC(=O)[O-])c2ccccc21
AddComponent,Please add a benzene ring to the molecule COC(=O)C1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc23)CC1.,COC(=O)C1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc23)CC1c1ccccc1
SubComponent,Please substitute a hydroxyl in the molecule O=S1(=O)NC(O)=CN1c1ccc(Cc2ccccc2O)cc1O with a thiol.,O=S1(=O)NC(S)=CN1c1ccc(Cc2ccccc2O)cc1O
DelComponent,Remove a O=C([O-])c1ccc(-c2ccnc(-c3cccc(-c4ccccn4)n3)c2)cc1 from the molecule benzene ring.,O=C([O-])c1ccnc(-c2cccc(-c3ccccn3)n2)c1
LogP,Modify the molecule CC(C)Oc1c(NC(CC(=O)[O-])c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)c(=O)c1=O to decrease its LogP value.,CC(C)Oc1c(C(CC(=O)[O-])c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)c(=O)c1=O
MR,Optimize the molecule C[NH2+]C(CC1CCOC1)c1ccccc1OC to have a lower MR value.,C[NH2+]C(CC1CCOC1)OC
QED,Please optimize the molecule N#Cc1cc(-c2ccc(F)cc2F)c2c(n1)C1CCC2[NH2+]1 to have a lower QED value.,N#Cc1cc(-c2ccc(O)cc2F)c2c(n1)C1CCC2[NH2+]1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CNC(=O)c1ccc(Cl)c(NC(=O)Cc2cccs2)c1
BondNum,"The molecule consists of 21 single bonds, 3 double bonds, 3 rotatable bonds, and 12 aromatic bonds.",COc1cccc2c1C1=C(C(Cc3c(Cl)cccc3Cl)C2)C2C(C)=CC(C)(C)[NH2+]C2C=C1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 nitro group.",O=c1c2ccccc2nc(C=Cc2c[nH]c3ccccc23)n1-c1ccccc1[N+](=O)[O-]
AddComponent,Modify the molecule CC(C)(C)OOC(C[N+](=O)[O-])C(O[Si](C)(C)C(C)(C)C)c1ccccc1 by adding a hydroxyl.,CC(C)(C)OOC(C[N+](=O)[O-])C(O[Si](C)(C)C(C)(C)C)c1ccccc1O
SubComponent,Please substitute a Cc1nc2ccccc2n1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 in the molecule nitro with a halo.,Cc1nc2ccccc2n1CCNC(=O)COc1ccc(I=O)cc1
DelComponent,Remove a COCC(O)(c1ccccc1)c1nccn1C from the molecule benzene ring.,COCC(O)c1nccn1C
LogP,Modify the molecule O=C([O-])c1coc(C(=O)N(Cc2cccc(Br)c2)C2CC2)c1 to increase its LogP value.,O=C([O-])c1coc(C(=O)N(Cc2cc(Br)cc(-c3ccccc3)c2)C2CC2)c1
MR,Modify the molecule Cn1cc(C[NH2+]CC2(CO)CCCC2)c2ccccc21 to have a lower MR value.,Cn1cc(C[NH2+]CC2(C)CCCC2)c2ccccc21
QED,Please modify the molecule COc1ccc(C)cc1N(C(C)C(=O)NCCCc1ccccc1)S(C)(=O)=O to decrease its QED value.,COc1ccc(C)cc1N(C(C)C(=O)NCCCc1ccc(N)cc1)S(C)(=O)=O
AtomNum,"Please generate a molecule with 19 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",CC[n+]1ccn2c(=O)c(-c3cccc(C(F)(F)F)c3)c(O)n(Cc3cnc(Cl)s3)c21
BondNum,"The molecule is composed of 14 single bonds, 2 double bonds, 3 rotatable bonds, and 20 aromatic bonds.",Cn1cc(-c2cnc3c(-c4csc(C(=O)N5CC6=CC[NH+](C)C6C5)c4)cnn3c2)cn1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, and 1 nitro group.",COc1ccc(-c2cc(C)nn2-c2cccc([N+](=O)[O-])c2)cc1OC1CCCO1
AddComponent,Add a hydroxyl to the molecule CC(C)(O)c1cc2c(cc1O)CCO2.,CC(C)(O)c1cc2c(cc1O)CC(O)O2
SubComponent,Substitute a Cc1c(CN2Cc3cc4ccc(Cl)cc4n3C2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1 in the molecule halo with a aldehyde.,CC(=O)c1ccc2cc3n(c2c1)C(=O)N(Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C)C3
DelComponent,Modify the molecule amide by removing a O=C(Cc1cccc2ccccc12)NCC1CCCC1O.,OC1CCCC1Cc1cccc2ccccc12
LogP,Please optimize the molecule Cc1c(N)nnn1-c1cccc(Cl)c1 to have a lower LogP value.,Cc1c(N)nnn1Cl
MR,Modify the molecule Cn1nc2c(c1CNC(=O)C1CCCN(C(=O)C3CC3)C1)CCCC2 to decrease its MR value.,Cn1nc2c(c1CC1CCCN1C(=O)C1CC1)CCCC2
QED,Please modify the molecule CCCC(C)(CO)Cc1ccc(Br)cn1 to decrease its QED value.,CCCC(C)(CO)Cc1ccccn1
AtomNum,"There is a molecule with 18 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",COc1cccc(C[NH+](C)CCC([NH3+])c2ccccc2)c1
BondNum,"The molecule consists of 10 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",C=C(c1ccccc1)C(CC)(CC)C(=O)OCC
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 5 amide groups, and 1 halo group.",CCC(C)NC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cc(Cl)ccc3C(=O)NC)CC2)c1
AddComponent,Please add a aldehyde to the molecule Nc1cc(NCC2CCCS2)nc(-c2ccccc2)n1.,Nc1cc(NCC2CCCS2)nc(-c2cccc(CC=O)c2)n1
SubComponent,Modify the molecule halo by substituting a Brc1ccc(C2(CN3CC[NH2+]CC3)CCC2)cc1 with a hydroxyl.,Oc1ccc(C2(CN3CC[NH2+]CC3)CCC2)cc1
DelComponent,Remove a CC([NH2+]Cc1c(Cl)oc2ccccc12)C(C)(C)C from the molecule halo.,CC([NH2+]Cc1coc2ccccc12)C(C)(C)C
LogP,Optimize the molecule COc1cc2c(cc1NC(=O)c1sc3nc(C(F)(F)F)cc(-c4ccco4)c3c1N)oc1ccccc12 to have a lower LogP value.,COc1cc2c(cc1NC(=O)c1sc3nc(C(F)(F)F)cc(-c4ccco4)c3c1N)oc1cccc(O)c12
MR,Please modify the molecule Cc1cc(NC(=O)Nc2ccccc2)cc2sc(NC(=O)c3ccccc3)nc12 to increase its MR value.,Cc1c(-c2ccccc2)c(NC(=O)Nc2ccccc2)cc2sc(NC(=O)c3ccccc3)nc12
QED,Please optimize the molecule CC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O to have a lower QED value.,CC1(c2ccc(C(=O)[OH])cc2)NC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 1 oxygen atom, 4 nitrogen atoms, and 1 fluorine atom.",Cc1ccc2c(CCNC(=O)NCC3CCN(c4ccc(F)cc4)C3)c[nH]c2c1
BondNum,"Please generate a molecule composed of 16 single bonds, 1 double bond, and 6 rotatable bonds.",CC(C[NH3+])CCC(=O)N1CCCCC1CCO
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, 1 ketone group, 1 amide group, and 2 halo groups.",O=C1C(=O)N(c2cccc(Cl)c2)C(c2ccccc2F)C1=C([O-])c1ccccc1
AddComponent,Please add a benzene ring to the molecule Cc1nccn1CC1CCCN1C(=O)NCCN1c2ccccc2CC1C.,Cc1nccn1CC1CCCN1C(=O)NCCN1c2c(cccc2-c2ccccc2)CC1C
SubComponent,Substitute a nitrile in the molecule CS(=O)(=O)c1cc(N2CCN(c3c(C#N)c[nH+]c4ccccc34)CC2)ccc1[N+](=O)[O-] with a halo.,CS(=O)(=O)c1cc(N2CCN(c3c(Cl)c[nH+]c4ccccc34)CC2)ccc1[N+](=O)[O-]
DelComponent,Remove a Clc1ccc(-c2onc(-c3ccccc3)c2Br)cc1 from the molecule halo.,Brc1c(-c2ccccc2)noc1-c1ccccc1
LogP,Optimize the molecule O=C(C1CC1(Cl)Cl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 to have a lower LogP value.,O=C(C1CC1Cl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
MR,Modify the molecule Cc1cccc2nc(-c3ccc(Br)cc3)c(C#N)n12 to have a lower MR value.,Cc1cccc2nc(-c3ccc(C(=O)[OH])cc3)c(C#N)n12
QED,Please modify the molecule CCCCc1ccc(C#N)c(SC(CC)C(=O)Nc2nc(-c3ccccc3)cs2)n1 to decrease its QED value.,CCCCc1ccc(S)c(SC(CC)C(=O)Nc2nc(-c3ccccc3)cs2)n1
AtomNum,"The molecule has 18 carbon atoms, and 2 nitrogen atoms.",CC(=NCc1ccccc1)C(C)=NCc1ccccc1
BondNum,"The molecule consists of 8 single bonds, 4 double bonds, 5 rotatable bonds, and 21 aromatic bonds.",O=C(COc1ccc2ccc(=O)oc2c1)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 2 amide groups, and 1 nitro group.",O=C1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CN1
AddComponent,Please add a carboxyl to the molecule O=c1nc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)[nH]c2ccccc12.,O=C(O)c1cc(Cl)ccc1-n1c(Cc2ccccc2)nnc1SCc1nc(=O)c2ccccc2[nH]1
SubComponent,Please substitute a hydroxyl in the molecule O=c1cc(CO)oc(C(Nc2cccc(C(F)(F)F)c2)c2ccccn2)c1[O-] with a nitro.,ONCc1cc(=O)c([O-])c(C(Nc2cccc(C(F)(F)F)c2)c2ccccn2)o1
DelComponent,Modify the molecule amine by removing a O=c1cc(C2CC(Nc3ncnc4nc[nH]c34)C2)[nH]c(N2CCCC2)n1.,O=c1cc(C2CC(c3ncnc4nc[nH]c34)C2)[nH]c(N2CCCC2)n1
LogP,Modify the molecule CCC(COC)NCCC(F)(F)F to decrease its LogP value.,CCC(COC)NCCC(F)(F)S
MR,Please optimize the molecule Fc1cc2[nH]c(=S)n(CC3CCC3)c2cc1F to have a higher MR value.,Fc1ccc2[nH]c(=S)n(CC3CCC3)c2c1
QED,Please optimize the molecule CNC(=O)NC(=O)C[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 to have a lower QED value.,CNC(=O)NC(=O)C[NH+]1CCN(S(C)(=O)=O)CC1
AtomNum,"Please generate a molecule with 9 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",Cc1nc(N)sc1S(=O)(=O)N(C)CC1CC1
BondNum,"Please generate a molecule consisting 18 single bonds, 5 rotatable bonds, and 5 aromatic bonds.",Cc1nn(C)c(N2CC(C)OC(CO)C2)c1C[NH2+]C1CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 halo group, and 2 sulfone groups.",C[NH2+]CC1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1
AddComponent,Modify the molecule CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 by adding a benzene ring.,CC(C)(C)NC(=O)c1cc(-c2ccccc2)ccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
SubComponent,Modify the molecule halo by substituting a O=C(NNCc1ccccc1)c1ccc2c(c1)N=C(c1cccc(Br)c1)c1ccccc1S2 with a hydroxyl.,O=C(NNCc1ccccc1)c1ccc2c(c1)N=C(c1cccc(O)c1)c1ccccc1S2
DelComponent,Modify the molecule amine by removing a Nc1ccc(C(=O)Cn2c(-c3nonc3NCC[NH3+])nc3ccccc32)cn1.,Nc1ccc(C(=O)Cn2c(-c3nonc3CC[NH3+])nc3ccccc32)cn1
LogP,Optimize the molecule C[NH+]1CCC(S(=O)Cc2ccc(F)cc2)CC1 to have a lower LogP value.,C[NH+]1CCC(S(=O)Cc2ccccc2)CC1
MR,Modify the molecule CCCC(C)C([NH2+]CC)c1ccncc1F to increase its MR value.,CCCC(C)C([NH2+]CC)c1ccncc1
QED,Modify the molecule CC(Nc1ccc(C(=O)[O-])c(Br)c1)c1cccnc1 to decrease its QED value.,CC(Nc1ccc(C(=O)[O-])c(Br)c1)c1cncc(O)c1
AtomNum,"The molecule is composed of 20 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 1 fluorine atom.",O=C(NCc1ccco1)c1ccc(N2CCN(c3ccccc3F)CC2)nn1
BondNum,"Please generate a molecule composed of 7 single bonds, 1 double bond, and 2 rotatable bonds.",C=CC(Br)CC(C)(C)C
FunctionalGroup,"The molecule is composed of 1 amine group, 1 thioether group, and 1 sulfide group.",CCCCN(SC)C(=O)[NH+]=C(N)OC
AddComponent,Modify the molecule CC1CCCC(C)[NH+]1CCc1cn2cc(N)ccc2[nH+]1 by adding a benzene ring.,CC1CCC(c2ccccc2)C(C)[NH+]1CCc1cn2cc(N)ccc2[nH+]1
SubComponent,Modify the molecule halo by substituting a Cc1cc(F)ccc1C1C(OC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC2C1C[NH+](C1=CC(=O)CC1)C2O with a aldehyde.,CC(=O)c1ccc(C2C(OC(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC3C2C[NH+](C2=CC(=O)CC2)C3O)c(C)c1
DelComponent,Please remove a COc1ccccc1CC(=O)N1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1 from the molecule amide.,COc1ccccc1C1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)C1
LogP,Modify the molecule C=C(C=CC=CC=C1N(CCCCCC(=O)NCCCCCCN=[N+]=[N-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2C1(C)C)C(C)(C)c1c(C)ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc12 to increase its LogP value.,C=C(C=CC=CC=C1N(CCCCCC(=O)NCCCC(CCN=[N+]=[N-])c2ccccc2)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2C1(C)C)C(C)(C)c1c(C)ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc12
MR,Please modify the molecule Cc1ccc(Cn2c(=O)c3ccccc3n3c(=O)n(CC(=O)Nc4cc(C)cc(C)c4)nc23)cc1 to decrease its MR value.,Cc1ccc(Cn2c(=O)c3ccccc3n3c(=O)n(-c4cc(C)cc(C)c4)nc23)cc1
QED,Please optimize the molecule O=S(=O)(c1ccccc1)c1ccc(NCc2ccc(F)cc2)nn1 to have a higher QED value.,O=S(=O)(c1ccccc1)c1ccc(NCc2ccccc2)nn1
AtomNum,"Please generate a molecule with 28 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCCOc1ccc(C2=C([NH+](C)Cc3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1
BondNum,"Please generate a molecule composed of 20 single bonds, 6 double bonds, and 8 rotatable bonds.",C=CCOC(=O)N1CC(SC(C)=O)CC1C=C(C)CNS(=O)(=O)N(C)C
FunctionalGroup,"The molecule is composed of 1 ester group, and 3 halo groups.",C=C(C)C(=O)OC(C)(C)C1Cc2cccc(C(F)(F)F)c2C1
AddComponent,Modify the molecule CNS(=O)(=O)c1ccc(NC(=S)Nc2cc(C)ccc2C)cc1 by adding a benzene ring.,CNS(=O)(=O)c1ccc(NC(=S)Nc2cc(C)cc(-c3ccccc3)c2C)cc1
SubComponent,Please substitute a COc1cc(OC)nc(Oc2ccccc2C(=O)NNc2cccc(Cl)c2C)n1 in the molecule halo with a carboxyl.,COc1cc(OC)nc(Oc2ccccc2C(=O)NNc2cccc(C(=O)[OH])c2C)n1
DelComponent,Please remove a halo from the molecule Clc1ccc(SSc2c(Cl)c(Br)c(Cl)c(Br)c2Cl)c(Cl)c1.,Clc1ccc(SSc2cc(Br)c(Cl)c(Br)c2Cl)c(Cl)c1
LogP,Modify the molecule CC(C)Oc1ccc(C(C)Nc2cccnc2)cc1 to decrease its LogP value.,CC(C)Oc1ccc(C(C)c2cccnc2)cc1
MR,Please modify the molecule CN1CC[NH+](CCC2(OC(F)(F)F)C=CC=CC2(O)C2(O)CCCCC2)CC1 to decrease its MR value.,CN1CC[NH+](CCC2(OC(F)F)C=CC=CC2(O)C2(O)CCCCC2)CC1
QED,Modify the molecule Cc1ccccc1COc1cc(N)ccc1N1CCCCC1 to decrease its QED value.,Cc1ccccc1COc1ccccc1N1CCCCC1
AtomNum,"Please generate a molecule with 30 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 chlorine atoms.",CCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1
BondNum,"There is a molecule composed of 9 single bonds, 6 rotatable bonds, and 12 aromatic bonds.",COc1ccc(COC(CI)c2ccccc2Br)cc1
FunctionalGroup,"The molecule is composed of 1 amide group, and 3 halo groups.",O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CCCO1
AddComponent,Add a aldehyde to the molecule CSc1ccc(OCCC(NC(=O)OC(C)(C)C)c2ccc(OC(=O)N(C)C)cc2O)cc1.,CSc1ccc(OCCC(NC(=O)OC(C)(C)C)c2ccc(OC(=O)N(C)C)cc2O)c(CC=O)c1
SubComponent,Please substitute a CC(C)C(=O)N1CCC(Oc2nc3c(F)cc(F)cc3s2)CC1 in the molecule halo with a carboxyl.,CC(C)C(=O)N1CCC(Oc2nc3c(C(=O)[OH])cc(F)cc3s2)CC1
DelComponent,Modify the molecule halo by removing a CCOC(=O)CCCCCCN1C(=O)CCC1C=CC(OC(=O)Cc1ccc(C(=O)NCCCC(O)(OP(O)O)O[P+](=O)O)cc1)C(F)(F)c1ccccc1.,CCOC(=O)CCCCCCN1C(=O)CCC1C=CC(OC(=O)Cc1ccc(C(=O)NCCCC(O)(OP(O)O)O[P+](=O)O)cc1)C(F)c1ccccc1
LogP,Optimize the molecule O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccnn1CCO to have a higher LogP value.,CC(=O)CCn1nccc1C(=O)NCc1ccc(N2CCCC2=O)cc1
MR,Optimize the molecule O=C([O-])C[NH2+]N1c2ccccc2C(=O)N2CCC(=Cc3ccccc3)C21 to have a higher MR value.,O=C([O-])C[NH2+]N1c2ccccc2C(=O)N2CCC(=Cc3ccccc3O)C21
QED,Modify the molecule O=C(c1cccc(F)c1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 to increase its QED value.,O=C(c1cccc(O)c1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 1 chlorine atom, and 1 silicon atom.",ClCCC[Si]C(=Cc1ccccc1)c1ccccc1
BondNum,"Please generate a molecule with 8 single bonds, 1 double bond, 5 rotatable bonds, and 6 aromatic bonds.",CCOC(CC)(CC)c1nccc(=S)[nH]1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 ester groups, 1 amide group, 1 thioether group, and 2 sulfide groups.",CCn1c(SCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)nnc1-c1csc2ccccc12
AddComponent,Modify the molecule Brc1cnc(C2CCC2)nc1Br by adding a benzene ring.,Brc1nc(C2CCC2)nc(-c2ccccc2)c1Br
SubComponent,Please substitute a CC(C)c1ccc(-c2ccc(C(C)C)cc2C(F)(F)F)c(C(F)(F)F)c1 in the molecule halo with a hydroxyl.,CC(C)c1ccc(-c2ccc(C(C)C)cc2C(F)(F)F)c(C(O)(F)F)c1
DelComponent,Please remove a CCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(N)=O)cc3OC)ncc21 from the molecule amine.,CCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(-c3ccc(C(N)=O)cc3OC)ncc21
LogP,Modify the molecule CCCCn1nnnc1CSc1nc2ccccc2c(=O)n1CC1CCCO1 to increase its LogP value.,CC(CCn1nnnc1CSc1nc2ccccc2c(=O)n1CC1CCCO1)c1ccccc1
MR,Modify the molecule CCCCOc1cccc(C=Nn2cnnc2SCc2ccc(F)cc2)c1 to increase its MR value.,CCCCOc1cccc(C=Nn2cnnc2SCc2ccc(F)c(O)c2)c1
QED,Please modify the molecule O=C(NCC1CCCCCCC1)C(=O)Nc1ccc2c(c1)OCO2 to increase its QED value.,ON(CC1CCCCCCC1)c1ccc2c(c1)OCO2
AtomNum,"There is a molecule composed of 39 carbon atoms, 5 oxygen atoms, and 8 nitrogen atoms.",CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C([NH3+])Cc1ccccc1)C(C)C)C(=O)NCc1ccccn1
BondNum,"Please generate a molecule composed of 9 single bonds, 1 double bond, 5 rotatable bonds, and 5 aromatic bonds.",CCn1nccc1NC(=O)C(C[NH3+])OC
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ketone group, and 1 halo group.",O=C([O-])CCCC(=O)CNC(=O)Nc1cccc(Cl)c1
AddComponent,Add a hydroxyl to the molecule CC1CCC[NH+](CC(=O)N2c3ccccc3OCC2c2ccccc2)C1.,CC1CCC[NH+](CC(=O)N2c3ccccc3OCC2c2ccccc2O)C1
SubComponent,Substitute a CC[NH2+]C(CCCS(C)(=O)=O)c1cc(Br)ccc1C in the molecule halo with a nitro.,CC[NH2+]C(CCCS(C)(=O)=O)c1cc(NO)ccc1C
DelComponent,Modify the molecule COc1ccc(COC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 by removing a benzene ring.,COCOC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21
LogP,Modify the molecule CCSCC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)NC(C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C to increase its LogP value.,CCSCC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CCC(=O)NC(C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C)CC(C)C
MR,Please modify the molecule CC(C)CN(c1ccc(Cl)cc1CCl)C1CCCC1 to increase its MR value.,CC(C)CN(c1ccc(NO)cc1CCl)C1CCCC1
QED,Modify the molecule CCCc1ccc(-c2ccc(-c3ccc(C)cc3)c(F)c2)cc1CCC to have a higher QED value.,CCCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1CCC
AtomNum,"The molecule is composed of 12 carbon atoms, 3 oxygen atoms, and 1 nitrogen atom.",CC(C)(C)C=C1C=CC=CC1N(O)C(=O)[O-]
BondNum,"Please generate a molecule composed of 19 single bonds, and 2 rotatable bonds.",CN1CCC[NH+](C)C(C(O)C2CCCCCC2)C1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, and 3 halo groups.",O=C([O-])NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)c(Cl)c2)CC1
AddComponent,Add a carboxyl to the molecule CCOc1ccccc1Nc1ncnc(NNC(=O)c2ccncc2)c1N.,CCOc1cc(C(=O)O)ccc1Nc1ncnc(NNC(=O)c2ccncc2)c1N
SubComponent,Substitute a O=C1OCC2=CCCC(c3ccc(F)c(F)c3)N2C1=O in the molecule halo with a aldehyde.,CC(=O)c1ccc(C2CCC=C3COC(=O)C(=O)N32)cc1F
DelComponent,Please remove a Cc1ccc(N=Nc2c3n([nH]c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)cc1 from the molecule amine.,Cc1ccc(N=Nc2c3n([nH]c2=O)C(c2ccc(Cl)cc2)C2=C3CCCC2=O)cc1
LogP,Please modify the molecule CC(Cn1cccn1)[NH2+]Cc1cncs1 to increase its LogP value.,CC(Cn1cccn1)[NH2+]Cc1cnc(-c2ccccc2)s1
MR,Optimize the molecule NC(=[NH2+])c1ccc(SC2COC2)cc1C(F)(F)F to have a higher MR value.,N#CC(F)(F)c1cc(SC2COC2)ccc1C(N)=[NH2+]
QED,Optimize the molecule C[NH+](CCCC([NH2+]Cc1ccc(CC(N)=O)cc1)C(N)=O)Cc1ccccc1 to have a higher QED value.,C[NH+](CCCC([NH2+]Cc1ccccc1)C(N)=O)Cc1ccccc1
AtomNum,"The molecule contains 16 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",Cc1cc(NC(=O)c2cc(C(C)(C)C)[nH]n2)ccc1C(=O)[O-]
BondNum,"Please generate a molecule composed of 5 single bonds, 2 triple bonds, 1 rotatable bond, and 6 aromatic bonds.",COc1cc(C#N)cc([S-])c1C#N
FunctionalGroup,"The molecule consists of 4 benzene ring groups, 1 amide group, 3 thioether groups, 1 thiol group, and 1 sulfide group.",O=C(NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-])C(CS)Cc1ccccc1
AddComponent,Please add a carboxyl to the molecule C[NH+]=C(NCCOC)NCCn1ccnc1.,C[NH+]=C(NCCOC)NCCn1cnc(C(=O)O)c1
SubComponent,Please substitute a nitrile in the molecule CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 with a halo.,CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3F)CC2)cc1
DelComponent,Please remove a amide from the molecule O=C(CCc1cccnc1)Nc1nc2ccc3ccccc3c2s1.,c1cncc(Cc2nc3ccc4ccccc4c3s2)c1
LogP,Optimize the molecule [NH3+]Cc1sc(C2CCC2)nc1C(F)(F)F to have a lower LogP value.,[NH3+]Cc1sc(C2CCC2)nc1C(F)(F)S
MR,Please optimize the molecule C[NH+]1CCCc2c(N3CCN(C(=O)[O-])CC3)cccc21 to have a higher MR value.,C[NH+]1CCCc2c(N3CCN(C(=O)[O-])C(O)C3)cccc21
QED,Please optimize the molecule Cc1cccc(C2=C(O)C(=O)N(c3ccc(Cl)c(Cl)c3)C2c2cccc(OC(C)C)c2)c1 to have a lower QED value.,CC(=O)C1=C(c2cccc(C)c2)C(c2cccc(OC(C)C)c2)N(c2ccc(Cl)c(Cl)c2)C1=O
AtomNum,"There is a molecule consisting of 25 carbon atoms, and 4 oxygen atoms.",CCCCCCCCCCCCCCC(CC(O)C(=O)[O-])OCc1ccccc1
BondNum,"There is a molecule consisting of 7 single bonds, 2 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",COC(=O)C([NH3+])Cc1ccc(N=O)cc1
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, and 1 amine group.",COc1cccc(-c2c(NCc3ccccc3)oc3c2c(=O)n(C)c(=O)n3C)c1OC
AddComponent,Add a benzene ring to the molecule CC1CCN(C2CCCCC2)C(C[NH3+])CN1C.,CC1CCN(C2CCCC(c3ccccc3)C2)C(C[NH3+])CN1C
SubComponent,Please substitute a CSC1CCCC(Nc2cc(Br)nc(C3CC3)n2)C1 in the molecule halo with a aldehyde.,CC(=O)c1cc(NC2CCCC(SC)C2)nc(C2CC2)n1
DelComponent,Please remove a Cc1cc(C(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F from the molecule amide.,Cc1cc(C(C)C)c-c1(F)NS(=O)(=O)c1ccccc1
LogP,Please optimize the molecule NC(=O)C[NH2+]Cc1cc(C=NCCO)ccn1 to have a higher LogP value.,[NH2+]Cc1cc(C=NCCO)ccn1
MR,Modify the molecule O=C(c1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)-c2ccccc21 to decrease its MR value.,O=C(F)N1CCc2c([nH]c3ccccc23)-c2ccccc21
QED,Modify the molecule CCOc1cc(Cl)ccc1NC(=O)N1CCN(CC#N)CC1 to have a higher QED value.,CCOc1cc(Cl)ccc1NC(=O)N1CCN(C)CC1
AtomNum,"There is a molecule consisting of 17 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",CCC1(C)CC2(NC(=O)N(CCOC)C2=O)C(C)C(C)(CC)[NH2+]1
BondNum,"There is a molecule consisting of 11 single bonds, 2 rotatable bonds, and 10 aromatic bonds.",C[NH+]1CCN(c2nc3ccc(Cl)cn3n2)C(C[NH3+])C1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 hydroxyl group, 1 amide group, and 1 halo group.",NC(=O)C([NH2+]Cc1ccccc1)c1ccc(O)c(F)c1
AddComponent,Modify the molecule Cn1nc(-c2ccc(C[NH+]3CCC(NC(=O)COc4cccc(Cl)c4)CC3)s2)cc1C(F)(F)F by adding a nitrile.,Cn1nc(-c2cc(C#N)c(C[NH+]3CCC(NC(=O)COc4cccc(Cl)c4)CC3)s2)cc1C(F)(F)F
SubComponent,Please substitute a halo in the molecule Cn1nc(-c2cnc3ncc(C(=O)NC(C)(C)CCC[NH3+])c-3[nH]2)c2ccc(F)cc21 with a nitrile.,Cn1nc(-c2cnc3ncc(C(=O)NC(C)(C)CCC[NH3+])c-3[nH]2)c2ccc(C#N)cc21
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(C)c1-c1ccc(OC(C)C(=O)[O-])cc1.,Cc1cccc(C)c1OC(C)C(=O)[O-]
LogP,Modify the molecule CC(C)Cc1nsc(NCC2(C)CCCO2)n1 to have a higher LogP value.,CC(C)Cc1nsc(CC2(C)CCCO2)n1
MR,Please modify the molecule COc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4C)CC3)[nH]n2)c1 to decrease its MR value.,COc1cccc(-c2cc(C(=O)N3CCN(C)CC3)[nH]n2)c1
QED,Please optimize the molecule Cn1ncc(N2CCN(C(=O)C3CCCCC3)CC2)c(Br)c1=O to have a higher QED value.,Cn1ncc(N2CCN(C(=O)C3CCCCC3)CC2)c(O)c1=O
AtomNum,"There is a molecule composed of 14 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 2 fluorine atoms.",CC(C)(C)OC(O)[NH2+]C(C)(C)c1cc(F)cc(F)c1
BondNum,"Please generate a molecule consisting 4 single bonds, 3 rotatable bonds, and 16 aromatic bonds.",Cc1ccc[n+](CCc2c[nH]c3ccccc23)c1
FunctionalGroup,"Please generate a molecule consisting 3 benzene ring groups, and 2 amide groups.",CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)cc1
AddComponent,Please add a benzene ring to the molecule CCN(Cc1ccccn1)c1ccc(CC[NH3+])cc1.,CCN(Cc1cccc(-c2ccccc2)n1)c1ccc(CC[NH3+])cc1
SubComponent,Modify the molecule nitrile by substituting a CC(C[NH3+])CN1CC(=O)Nc2cc(C#N)ccc21 with a aldehyde.,CC(=O)c1ccc2c(c1)NC(=O)CN2CC(C)C[NH3+]
DelComponent,Modify the molecule hydroxyl by removing a COc1ccc(O)c2ccc(=O)[nH]c12.,COc1cccc2ccc(=O)[nH]c12
LogP,Please optimize the molecule Cc1cc(C#N)c2sccc2c1F to have a lower LogP value.,Cc1cc(C#N)c2sccc2c1C#N
MR,Modify the molecule CC(C)Sc1ccccc1Nc1nc(Cl)nc2[nH]ncc12 to decrease its MR value.,CC(C)Sc1ccccc1Nc1ncnc2[nH]ncc12
QED,Please optimize the molecule CC1C=C(Cl)C([Si](C)(C)C)=CN1C(=O)Oc1ccccc1 to have a lower QED value.,CC1C=C(Cl)C([Si](C)(C)C)=CN1C(=O)O
AtomNum,"There is a molecule composed of 27 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nnc(-c2ccc(N(C)C)cc2)n1CC
BondNum,"There is a molecule with 19 single bonds, 2 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",CC(OCC1CCCCO1)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1
FunctionalGroup,There is a molecule consisting of and 1 amine group.,CCCN1c2ccc(N)cc2N(C(C)C)CC1C(C)C
AddComponent,Please add a carboxyl to the molecule OC(c1ccccc1)C1COC(c2cccc(Br)c2)[NH2+]1.,O=C(O)C(O)(c1ccccc1)C1COC(c2cccc(Br)c2)[NH2+]1
SubComponent,Substitute a nitrile in the molecule CC12CCC(CCOc3ccc(S(C)(=O)=O)cc3)(O1)c1c2c(O)n(-c2ccc(C#N)c3ccccc23)c1O with a carboxyl.,CC12CCC(CCOc3ccc(S(C)(=O)=O)cc3)(O1)c1c2c(O)n(-c2ccc(C(=O)[OH])c3ccccc23)c1O
DelComponent,Remove a Nc1cccc(CCC(=O)NCC2COCCO2)c1 from the molecule amine.,O=C(CCc1ccccc1)NCC1COCCO1
LogP,Modify the molecule O=C(Cc1ccccc1O)NCC1CCC[NH2+]C1 to increase its LogP value.,ONc1ccccc1CC(=O)NCC1CCC[NH2+]C1
MR,Modify the molecule C[NH2+]C(Cc1cccs1)c1cccc(Cl)c1Cl to have a higher MR value.,C[NH2+]C(Cc1cccs1)c1cccc(S)c1Cl
QED,Please optimize the molecule CN(Cc1ccccc1NCc1nc(=O)[nH][nH]1)C(=O)c1cccs1 to have a higher QED value.,CN(Cc1ccccc1Cc1nc(=O)[nH][nH]1)C(=O)c1cccs1
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 4 oxygen atoms, and 2 silicon atoms.",CC=CC[Si](CC[Si](CC=CC)(OC)OC)(OC)OC
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, and 4 rotatable bonds.",CCC=C(CC)COC(=O)[O-]
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 3 amide groups, and 1 halo group.",Cc1ccc(C(C(=O)Nc2c(C)cccc2Cl)N(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C2CCC2)c(C)c1
AddComponent,Add a benzene ring to the molecule O=C(CSc1ccc2c(c1)CCC2)NCCc1ccc(CO)cc1.,O=C(CSc1ccc2c(c1-c1ccccc1)CCC2)NCCc1ccc(CO)cc1
SubComponent,Please substitute a halo in the molecule COc1ccc(C)cc1C=CC(=O)Nc1ccc(Cl)cc1 with a nitro.,COc1ccc(C)cc1C=CC(=O)Nc1ccc(NO)cc1
DelComponent,Please remove a CC1(C)CCC[NH+](C2CC(C)(C)Oc3cc(O)ccc32)C1 from the molecule hydroxyl.,CC1(C)CCC[NH+](C2CC(C)(C)Oc3ccccc32)C1
LogP,Please modify the molecule O=C(c1ccccn1)N1CCC(CS(=O)(=O)c2ccccc2)CC1 to increase its LogP value.,O=C(c1cc(-c2ccccc2)ccn1)N1CCC(CS(=O)(=O)c2ccccc2)CC1
MR,Please modify the molecule COc1ncc(C#N)c2c1c(-c1csc(C(N)=O)c1)cn2C1CCCC1 to increase its MR value.,COc1ncc(C#N)c2c1c(-c1csc(C(N)=O)c1)cn2C1CCCC1O
QED,Optimize the molecule O=C1c2ccccc2C(=O)N1OCc1ccco1 to have a lower QED value.,O=C1c2cccc(-c3ccccc3)c2C(=O)N1OCc1ccco1
AtomNum,"Please generate a molecule composed of 15 carbon atoms, 2 oxygen atoms, 2 sulfur atoms, and 1 chlorine atom.",Cc1cccc(SCC(Cl)S(=O)(=O)c2ccccc2)c1
BondNum,"Please generate a molecule with 9 single bonds, and 1 rotatable bond.",ClC(Cl)N1CCOCC1
FunctionalGroup,"There is a molecule with 1 ketone group, and 1 ester group.",CCCCCCCCCC(=O)C(CCCC)C(=O)OC
AddComponent,Modify the molecule O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCC(c2ccc(O)cc2)CC1 by adding a hydroxyl.,O=C(C1CN(C(=O)C2CCCCC2O)C1)N1CCC(c2ccc(O)cc2)CC1
SubComponent,Modify the molecule COc1cc(C=C2SC(=[NH+]c3cccc(C(=O)[O-])c3)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 by substituting a halo with a nitro.,COc1cc(C=C2SC(=[NH+]c3cccc(C(=O)[O-])c3)N(C)C2=O)c(NO)cc1OCc1ccc(Cl)cc1
DelComponent,Please remove a C[NH+]1CCC23CCCCC2C1Cc1ccc(-c2nnc(C(C)(C)O)s2)cc13 from the molecule hydroxyl.,CC(C)c1nnc(-c2ccc3c(c2)C24CCCCC2C(C3)[NH+](C)CC4)s1
LogP,Modify the molecule CC(CNC(=O)C(=O)[O-])n1cc(F)ccc1=O to decrease its LogP value.,CC(CNC(=O)C(=O)[O-])n1cc(C#N)ccc1=O
MR,Optimize the molecule CCC(C(=O)Nc1cc(O)c(NC(=O)c2nc3ccccc3n2-c2ccc(Cl)c(Cl)c2)cc1Cl)S(=O)(=O)c1cccc(C)c1 to have a lower MR value.,CCC(C(=O)Nc1ccc(NC(=O)c2nc3ccccc3n2-c2ccc(Cl)c(Cl)c2)cc1Cl)S(=O)(=O)c1cccc(C)c1
QED,Modify the molecule Cc1csc2nc(C(=O)c3ccc(F)cc3)nc(Cl)c12 to have a higher QED value.,Cc1csc2nc(C(=O)c3ccccc3)nc(Cl)c12
AtomNum,"There is a molecule consisting of 27 carbon atoms, 4 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",Cc1oc(-c2ccc(C[NH+]3CCCCC3)cc2)nc1CS(=O)(=O)CC(=O)NCCc1ccccc1
BondNum,"The molecule contains 9 single bonds, 2 rotatable bonds, and 6 aromatic bonds.",Nc1cc(CF)c(Cl)c(OC(F)(F)F)n1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 3 hydroxyl groups, 14 amide groups, and 9 amine groups.",CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC[NH+]=C(N)N)NC(C)=O)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-])C(C)O)C1CCCCC1
AddComponent,Modify the molecule CCC(=O)N1CC2(C[NH+](Cc3nccs3)C2)c2c(n(C)c3cc(OC)ccc23)C1CO by adding a hydroxyl.,CCC(=O)N1CC2(C[NH+](Cc3nccs3)C2)c2c(n(CO)c3cc(OC)ccc23)C1CO
SubComponent,Substitute a halo in the molecule CCOc1cc(Br)c2c(c1)C(Br)CCC2C with a carboxyl.,CCOc1cc(C(=O)[OH])c2c(c1)C(Br)CCC2C
DelComponent,Please remove a nitrile from the molecule COC(=O)C1(CC#N)CCN(C(=O)[O-])CC1.,COC(=O)C1(C)CCN(C(=O)[O-])CC1
LogP,Modify the molecule CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c2cc(Cl)ccc21 to decrease its LogP value.,CCn1c(C(=O)Nc2cc(Cl)cc(C#N)c2)c(C)c2cc(Cl)ccc21
MR,Modify the molecule CC1CC(C=CC=CC=C2CC(C)Cc3c(-c4ccccc4)cc(-c4ccccc4)[o+]c32)=C2CC(c3ccccc3)=CC(c3ccccc3)=C2C1 to decrease its MR value.,CC1CC(C=CC=CC=C2CC(C)Cc3ccc(-c4ccccc4)[o+]c32)=C2CC(c3ccccc3)=CC(c3ccccc3)=C2C1
QED,Please optimize the molecule CCOc1cc(C2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccc(Cl)c(Cl)c2)ccc1O to have a lower QED value.,CCOc1cc(C2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccc(C(=O)[OH])c(Cl)c2)ccc1O
AtomNum,"The molecule has 9 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",Cc1nc(C(F)(F)F)sc1C[NH2+]CCCO
BondNum,"The molecule is composed of 21 single bonds, 3 double bonds, 12 rotatable bonds, and 18 aromatic bonds.",Cc1ccccc1-c1ccc(CCCC(CC(=O)[O-])C(=O)NC(C(=O)NC(C)c2ccccc2)C(C)(C)C)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, and 1 amide group.",CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)C(C)C
AddComponent,Add a hydroxyl to the molecule CC1CCC(C(C)C)C(Oc2ccc(C(=O)[O-])cc2N)C1.,CC(C)C1CCC(CO)CC1Oc1ccc(C(=O)[O-])cc1N
SubComponent,Substitute a halo in the molecule C=CCN(C)C(=O)C1C2SC3(CC2Br)C1C(=O)N(CCCCCO)C3C(=O)N(CC=C)Cn1nnc2ccccc21 with a hydroxyl.,C=CCN(C)C(=O)C1C2SC3(CC2O)C1C(=O)N(CCCCCO)C3C(=O)N(CC=C)Cn1nnc2ccccc21
DelComponent,Remove a benzene ring from the molecule COc1ccc(-n2c([O-])c(C=Nc3cc(C)on3)c(=O)[nH]c2=O)cc1.,COn1c([O-])c(C=Nc2cc(C)on2)c(=O)[nH]c1=O
LogP,Optimize the molecule COc1ccccc1C1(CNC(=O)Cn2cnc3ccccc32)CCOCC1 to have a higher LogP value.,COc1ccccc1C1(Cn2cnc3ccccc32)CCOCC1
MR,Please optimize the molecule CCSCc1nc(-c2ccccc2)c(C[NH2+]C(C)(C)C)s1 to have a higher MR value.,CC(C)(C)[NH2+]Cc1sc(CSCCO)nc1-c1ccccc1
QED,Please optimize the molecule O=C([O-])CC(=O)N1CCC(c2nn(C3CC3)c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)CC1 to have a higher QED value.,O=C([O-])CC(=O)N1CCC(c2nn(C3CC3)c3cc(O)c(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)CC1
AtomNum,"The molecule is composed of 15 carbon atoms, 6 oxygen atoms, 3 nitrogen atoms, and 1 sulfur atom.",C=CN(c1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
BondNum,"Please generate a molecule composed of 24 single bonds, 2 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",O=S(=O)(c1c(F)cccc1F)N1CCc2c(ncnc2NCC23CC4CC(CC(C4)C2)C3)C1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, and 1 amide group.",COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(OC)c(OC)c2)c1
AddComponent,Modify the molecule CC(OC(=O)C=Cc1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 by adding a hydroxyl.,CC(OC(=O)C=Cc1cccc(O)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1
SubComponent,Substitute a halo in the molecule Cc1cc(=O)c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c(-c2ccc(S(C)(=O)=O)cc2)o1 with a nitrile.,Cc1cc(=O)c(-c2ccc(C(F)(F)C#N)cc2C(F)(F)F)c(-c2ccc(S(C)(=O)=O)cc2)o1
DelComponent,Please remove a benzene ring from the molecule NC(=O)c1[nH]nc(-c2ccccc2)c1Br.,NC(=O)c1[nH]ncc1Br
LogP,Modify the molecule O=C(C(C1CC1)C1CC1)N1CCC(O)CC1 to increase its LogP value.,O=C(C(C1CC1)C1CC1)N1CCCCC1
MR,Please optimize the molecule COc1ccc(C2=NC(c3ccccc3)[NH+]=C(c3ccc(OC)cc3)N2)cc1 to have a lower MR value.,COC1=NC(c2ccccc2)[NH+]=C(c2ccc(OC)cc2)N1
QED,Optimize the molecule CCNC(=NCC(c1ccccc1OC)[NH+](C)C)NCCNC(=O)C1CC1 to have a lower QED value.,COc1ccccc1C(CN=C(NCCNC(=O)C1CC1)NCCc1ccccc1)[NH+](C)C
AtomNum,"Please generate a molecule consisting 11 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC(C[NH2+]C(C)c1cccnc1)C(N)=[NH+]O
BondNum,"There is a molecule composed of 21 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC(C)(C)[Si](C)(C)OC1OC(COC(=O)c2ccccc2)C(O)C(O)C1N=[N+]=[N-]
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amine group.",CCCC(CNc1nc(C)c(OC=O)c(C)n1)c1ccccc1
AddComponent,Please add a hydroxyl to the molecule COC(C)(C)CC(C)Nc1cc(Br)ccc1C#N.,COC(C)(CO)CC(C)Nc1cc(Br)ccc1C#N
SubComponent,Modify the molecule hydroxyl by substituting a COC(=O)c1ccc(C2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(N3CC[NH+](C)CC3)cc2)cc1 with a nitrile.,COC(=O)c1ccc(C2C(c3ccc(OC)cc3)=C(C#N)C(=O)N2c2ccc(N3CC[NH+](C)CC3)cc2)cc1
DelComponent,Remove a CC(C)CC(=O)NC1CCCCS(=O)(=O)c2cncc(c2)-c2ccccc2OCC(C)NC1=O from the molecule amide.,CC(C)CC(=O)NC1(C)CCCCS(=O)(=O)c2cncc(c2)-c2ccccc2OC1
LogP,Modify the molecule Cc1nc(C)c(C(=O)NN=Cc2cc([N+](=O)[O-])c([O-])cc2[O-])s1 to decrease its LogP value.,Cc1nc(C)c(C(=O)NN=Cc2c(O)-c([O-])([O-])cc2[O-])s1
MR,Modify the molecule O=C([O-])C1CCN(C(=O)Nc2cccc(C3CCC3)c2)C1 to have a lower MR value.,O=C([O-])C1CCN(C(=O)NC2CCC2)C1
QED,Modify the molecule CCCc1ccc(-c2c[nH+]c(CCS)[nH]2)cc1 to increase its QED value.,CCCc1ccc(-c2c[nH+]c(CCBr)[nH]2)cc1
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, and 2 fluorine atoms.",CCc1sc(-c2ncco2)nc1-c1ccc2c(c1)OCC(c1c(F)cccc1F)N2
BondNum,"The molecule is composed of 20 single bonds, 6 rotatable bonds, and 16 aromatic bonds.",CC(C)Oc1ccc(Sc2cn(C3OC(CO)C(O)C(O)C3O)c3cc(Cl)ccc23)c(F)c1
FunctionalGroup,Please generate a molecule with and 1 ester group.,C=CCOC(=O)c1c(OC)cc2c(OC)c3c(OC)ccc(OC)c3c(OC)c2c1C
AddComponent,Add a hydroxyl to the molecule O=C(CSCC(=O)N1CCOCC1)NCC1CC=CCC1.,O=C(CSCC(=O)N1CCOCC1)NCC1(O)CC=CCC1
SubComponent,Substitute a halo in the molecule O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)c(F)c1 with a nitro.,ONC(F)(F)c1cccc(N(CC(=O)NCc2ccc(F)c(F)c2)S(=O)(=O)c2ccc(Cl)cc2)c1
DelComponent,Remove a Cc1cccc(C)c1NC(=O)c1cc2c(s1)CCCCCC2 from the molecule benzene ring.,CN(C)C(=O)c1cc2c(s1)CCCCCC2
LogP,Optimize the molecule O=C(CCCOc1ccccc1)N1CCCCCC1CO to have a higher LogP value.,CC1CCCCCN1C(=O)CCCOc1ccccc1
MR,Optimize the molecule CC(C)(O)CN(CC(=O)[O-])c1cccc(Cl)c1 to have a higher MR value.,CC(=O)c1cccc(N(CC(=O)[O-])CC(C)(C)O)c1
QED,Modify the molecule COc1ccc(N)c(NCc2ccc(C)cc2)n1 to decrease its QED value.,COc1ccc(N)c(NCc2ccc(C)c(CC=O)c2)n1
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 5 oxygen atoms, and 3 nitrogen atoms.",COCCOCCNc1nc(OC)ccc1[N+](=O)[O-]
BondNum,"There is a molecule with 14 single bonds, 3 double bonds, 6 rotatable bonds, and 21 aromatic bonds.",Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CCN2CCCC2=O)n3C)c(=O)c2ccccc12
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, 1 thioether group, and 1 sulfide group.",Cc1ccc(NC(=O)CSc2ncnc3c2[nH]c2ccccc23)cc1
AddComponent,Modify the molecule CCCC1(CNS(=O)(=O)c2ccccc2F)CC1 by adding a benzene ring.,CCCC1(CNS(=O)(=O)c2ccccc2F)CC1c1ccccc1
SubComponent,Substitute a halo in the molecule Cc1c(C(=O)N2CC[NH2+]CC2c2cccc(Cl)c2)[nH]c2c1C(=O)CCC2 with a thiol.,Cc1c(C(=O)N2CC[NH2+]CC2c2cccc(S)c2)[nH]c2c1C(=O)CCC2
DelComponent,Modify the molecule halo by removing a CCOc1cc(CO)cc(Br)c1OCCOCC(F)(F)F.,CCOc1cc(CO)ccc1OCCOCC(F)(F)F
LogP,Modify the molecule COCCN(CCC(N)=S)c1ncnc(C)c1F to have a higher LogP value.,CC(=O)c1c(C)ncnc1N(CCOC)CCC(N)=S
MR,Modify the molecule C=CNC(=O)Nc1ccc(C(=O)OC)cc1 to have a higher MR value.,C=CNC(=O)Nc1ccc(C(=O)OCO)cc1
QED,Please modify the molecule Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(F)c(Cl)c3)CC2)cc1 to increase its QED value.,Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(F)c(Cl)c3O)CC2)cc1
AtomNum,"The molecule is composed of 15 carbon atoms, 2 oxygen atoms, and 2 nitrogen atoms.",CC(=Cc1cccc2cccc(N(C)C)c12)[N+](=O)[O-]
BondNum,"Please generate a molecule composed of 21 single bonds, 4 double bonds, 11 rotatable bonds, and 12 aromatic bonds.",COc1ccc2c(c1)C(=O)N(CCC(C(=O)[O-])N(CCC(C)C)C(=O)NCc1ccccc1)C2=O
FunctionalGroup,There is a molecule composed of and 2 benzene ring groups.,COc1ccc(N2CC[NH+](CCc3ccc(OC)c(C)c3C)CC2)cc1OC
AddComponent,Add a benzene ring to the molecule Cc1nc(-c2cccc(NC(=O)N(C)C3CCC(CO)CC3)c2)no1.,Cc1nc(-c2cccc(NC(=O)N(C)C3CCC(C(O)c4ccccc4)CC3)c2)no1
SubComponent,Substitute a halo in the molecule C[NH+](C)CCCNC(=O)c1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1 with a nitro.,C[NH+](C)CCCNC(=O)c1ccc(NC(=O)Nc2ccc(N(CCCl)CCNO)cc2)cc1
DelComponent,Remove a Cc1cc(F)c(C(=O)c2sc(Nc3ccc(S(=O)(=O)NCCOC(C)C)cc3)nc2N)c(F)c1 from the molecule halo.,Cc1ccc(C(=O)c2sc(Nc3ccc(S(=O)(=O)NCCOC(C)C)cc3)nc2N)c(F)c1
LogP,Please modify the molecule O=C([O-])C1CCC(Nc2cc(Br)cs2)CC1 to decrease its LogP value.,O=C([O-])C1CCC(Nc2cc(O)cs2)CC1
MR,Modify the molecule CCCCCCCCCC(CCCCCCCC#N)c1ccc(C(CCCCCCCC#N)CCCCCCCCC)c(C)c1 to have a higher MR value.,CCCCCCCCCC(CCCCCCCC#N)c1cc(-c2ccccc2)c(C(CCCCCCCC#N)CCCCCCCCC)cc1C
QED,Optimize the molecule COc1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCCCC4)ccc3Cl)CC2)C(C)C)cc1NC(=O)c1ccccc1F to have a lower QED value.,COc1ccc(NC(=O)C(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCCCC4)c(C(=O)O)cc3Cl)CC2)C(C)C)cc1NC(=O)c1ccccc1F
AtomNum,"There is a molecule composed of 12 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 2 chlorine atoms.",Cc1c(Cl)ccc(N)c1Oc1cncc(Cl)c1
BondNum,"Please generate a molecule consisting 21 single bonds, 3 double bonds, 7 rotatable bonds, and 6 aromatic bonds.",Cc1ccccc1C(=O)NC(CC(C)C)C(=O)N1CC(C(=O)[O-])C(C2CC2)C1
FunctionalGroup,Please generate a molecule consisting and 2 amide groups.,CCC(C)C(=O)NC(C)C(N)=O
AddComponent,Please add a amine to the molecule CC(C)(C)c1ccc(OCC(=O)N2CCC3(CC2)OCCS3)cc1.,CC(C)(C)c1ccc(OCC(=O)N2CCC3(CC2)OCCS3)c(N)c1
SubComponent,Modify the molecule CC(C)c1cc(C(C)C)c(Nc2c(-c3ccccc3)cc(I)cc2-c2ccccc2)c(C(C)C)c1 by substituting a halo with a nitro.,CC(C)c1cc(C(C)C)c(Nc2c(-c3ccccc3)cc(NO)cc2-c2ccccc2)c(C(C)C)c1
DelComponent,Modify the molecule amine by removing a CN(C)P(=NCCNc1ccccc1)(N(C)C)N(C)C.,CN(C)P(=NCCc1ccccc1)(N(C)C)N(C)C
LogP,Please modify the molecule CC(C)c1cc(Sc2ccccc2O)ncn1 to increase its LogP value.,CC(C)c1cc(Sc2ccccc2C#N)ncn1
MR,Please modify the molecule CCC(=C(c1ccc(C)cc1)[Si](C)(C)c1ccccn1)c1cccc(Cl)c1 to increase its MR value.,CCC(=C(c1ccc(C)cc1)[Si](C)(C)c1ccc(C(=O)O)cn1)c1cccc(Cl)c1
QED,Please optimize the molecule COc1cccc(CN2CC(C3CC3)[NH2+]CC2C(C)C)c1 to have a lower QED value.,COc1cccc(CN2CC(C3CC3C(=O)O)[NH2+]CC2C(C)C)c1
AtomNum,"Please generate a molecule with 14 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 2 bromine atoms.",CC[NH2+]C(Cc1ccccc1Br)c1cscc1Br
BondNum,"The molecule consists of 21 single bonds, 1 double bond, 6 rotatable bonds, and 17 aromatic bonds.",COc1ccc(-c2nc(C[NH+]3CCN(C(=O)C4(c5ccc(F)cc5)CCOCC4)CC3)cs2)cc1
FunctionalGroup,"The molecule contains 1 amide group, 2 thioether groups, and 1 sulfide group.",CCSC1(CNC(=O)C=C(C)C)CCOCC1
AddComponent,Add a benzene ring to the molecule CC(NC(=O)OC(C)(C)C)c1ccc(C(O)C(C)(C)[NH+](C)Cc2ccccc2)cc1.,CC(NC(=O)OC(C)(C)C)c1ccc(C(O)C(C)(C)[NH+](C)Cc2ccc(-c3ccccc3)cc2)cc1
SubComponent,Modify the molecule hydroxyl by substituting a O=C(NCC1(C2CCC2)CCC1)N1CC2CCC(O)C2C1 with a nitro.,ONC1CCC2CN(C(=O)NCC3(C4CCC4)CCC3)CC21
DelComponent,Please remove a benzene ring from the molecule C=CCN(c1ccc(F)cc1C(C)[NH2+]CC)C(C)(C)C.,C=CCN(C(C)(C)C)C(C)(F)[NH2+]CC
LogP,Please modify the molecule C[NH2+]CCCNS(=O)(=O)c1cnc2[nH]ccc(Cl)c1-2 to decrease its LogP value.,C[NH2+]CC(N)CNS(=O)(=O)c1cnc2[nH]ccc(Cl)c1-2
MR,Please modify the molecule O=C(c1nc(=O)[nH][nH]1)N1CCCCC1 to increase its MR value.,O=C(c1nc(=O)[nH][nH]1)N1CCCCC1c1ccccc1
QED,Modify the molecule CCOC(=O)C=Nc1c(N)[nH]cnc1=O to have a higher QED value.,CCOC(=O)C=Nc1c[nH]cnc1=O
AtomNum,"Please generate a molecule consisting 7 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cc1noc(CNC(=O)CC[NH3+])n1
BondNum,"Please generate a molecule with 10 single bonds, 2 double bonds, and 7 rotatable bonds.",CCS(=O)(=O)CCCSCC(C)[NH3+]
FunctionalGroup,There is a molecule composed of and 1 hydroxyl group.,CCOc1cccc2c1N(C)CCC2(O)C[NH3+]
AddComponent,Please add a nitrile to the molecule Cc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)NCCc1ccccc1Cl)O2.,CN1C(=O)C(C)(C(=O)NCCc2ccccc2Cl)Oc2ccc(CC#N)cc21
SubComponent,Please substitute a halo in the molecule O=C(NCCCc1ccccc1)C1CCC(=O)N(Cc2cccc(F)c2)C1 with a carboxyl.,O=C([OH])c1cccc(CN2CC(C(=O)NCCCc3ccccc3)CCC2=O)c1
DelComponent,Modify the molecule hydroxyl by removing a NC(=[NH+]O)c1nccnc1Sc1nc2ccccc2o1.,[NH+]=C(N)c1nccnc1Sc1nc2ccccc2o1
LogP,Please optimize the molecule O=C(CSc1nnnn1-c1ccc(O)cc1)NCc1cccs1 to have a higher LogP value.,O=C(CSc1nnnn1-c1ccccc1)NCc1cccs1
MR,Modify the molecule CCOC(=O)c1c(C)nc(-c2ccc(C)c(Br)c2)nc1N to have a lower MR value.,CCOC(=O)c1c(C)nc(-c2ccc(C)c(NO)c2)nc1N
QED,Please optimize the molecule CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 to have a lower QED value.,CN(CC(=O)Nc1cccc(NO)c1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
AtomNum,"There is a molecule consisting of 23 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 fluorine atom.",Fc1ccc(-c2c3c(nc4nc5ccccc5n24)-c2ccccc2OC3)cc1
BondNum,"The molecule is composed of 7 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",COc1cccc(-n2ccc(C(N)=O)n2)c1C(C)=O
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, 1 amine group, and 3 halo groups.",CCOc1cc(CNc2cc(Cl)cc(Cl)c2)c(Cl)cc1OC
AddComponent,Add a hydroxyl to the molecule Cc1ccc(-c2[nH]ncc2C[NH2+]Cc2ccccc2N2CCOCC2)o1.,Cc1ccc(-c2[nH]ncc2C[NH2+]Cc2ccccc2N2CCOCC2O)o1
SubComponent,Modify the molecule hydroxyl by substituting a CC(=NO)C(=[NH+]O)N(c1ccccc1)C(C)(C)C with a nitrile.,CC(=NC#N)C(=[NH+]O)N(c1ccccc1)C(C)(C)C
DelComponent,Modify the molecule Cc1ccc(NC(=O)c2cnccc2Cl)cc1 by removing a halo.,Cc1ccc(NC(=O)c2cccnc2)cc1
LogP,Please modify the molecule COc1ccc(N2CCN(C(=O)Cn3c(NCC(C)O)nc4ccccc43)CC2)cc1 to increase its LogP value.,COc1ccc(N2CCN(C(=O)Cn3c(NCC(C)S)nc4ccccc43)CC2)cc1
MR,Optimize the molecule COc1ccc2c(c1)OC(C)c1sc(N)nc1-2 to have a lower MR value.,COc1ccc2c(c1)OC(C)c1scnc1-2
QED,Optimize the molecule CCSc1ccccc1NS(=O)(=O)c1ccc(CBr)cc1 to have a higher QED value.,CCSc1ccccc1NS(=O)(=O)c1ccc(CC(=O)[OH])cc1
AtomNum,"There is a molecule consisting of 11 carbon atoms, 1 oxygen atom, 1 chlorine atom, and 1 bromine atom.",OC(CCCCBr)c1ccc(Cl)cc1
BondNum,"Please generate a molecule consisting 16 single bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]C(c1cncc(OC)c1)C1(N(C)C)CCCCC1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, 1 amine group, 2 halo groups, and 1 sulfide group.",COc1cccc(C=C2SC(Nc3ccc(Cl)cc3Cl)=[NH+]C2=O)c1OC
AddComponent,Modify the molecule COc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 by adding a carboxyl.,COc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C(=O)O)cc1
SubComponent,Substitute a Cc1c(F)cncc1-c1cc(Cl)c2c(c1)CCc1nnc(C)n1-2 in the molecule halo with a nitrile.,Cc1c(C#N)cncc1-c1cc(Cl)c2c(c1)CCc1nnc(C)n1-2
DelComponent,Modify the molecule CCCCc1ccc(Nc2c(C(=O)OCC)cnc3cc(C(F)(F)F)ccc23)cc1 by removing a halo.,CCCCc1ccc(Nc2c(C(=O)OCC)cnc3cc(C(F)F)ccc23)cc1
LogP,Modify the molecule O=C(c1ccncc1F)C1COc2ccccc21 to have a lower LogP value.,O=C(c1ccncc1O)C1COc2ccccc21
MR,Modify the molecule Cc1cc2ccccc2c(-c2c(O)c(C=O)cc3ccccc23)c1O to increase its MR value.,Cc1cc2ccccc2c(-c2c(C#N)c(C=O)cc3ccccc23)c1O
QED,Modify the molecule CCNC(C)(C#N)Cn1ccc(C)n1 to decrease its QED value.,CCNC(C)(S)Cn1ccc(C)n1
AtomNum,"Please generate a molecule with 19 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCCN(C(=O)Cc1cccc2cccnc12)C1CCS(=O)(=O)C1
BondNum,"There is a molecule consisting of 3 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",C=C(C)c1cccc(I)c1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 hydroxyl group, 1 amine group, 1 halo group, and 1 nitrile group.",CC1(C)CCC(O)(CNc2cccc(Br)c2C#N)CC1
AddComponent,Please add a hydroxyl to the molecule COCc1nnc2n1Cc1c(C)ncn1-c1ccc(OC)cc1-2.,COc1ccc2c(c1)-c1nnc(COCO)n1Cc1c(C)ncn1-2
SubComponent,Modify the molecule CC(C)(C)OC(=O)N(CCc1ccc(Cl)c(C=O)c1)CC(F)F by substituting a halo with a carboxyl.,CC(C)(C)OC(=O)N(CCc1ccc(C(=O)[OH])c(C=O)c1)CC(F)F
DelComponent,Please remove a benzene ring from the molecule N#Cc1ccncc1OCCCc1ccccc1.,CCCOc1cnccc1C#N
LogP,Please optimize the molecule CCC(CC)(CBr)CNC(=O)c1cc(C)ccc1C to have a lower LogP value.,CCC(=O)NCC(CC)(CC)CBr
MR,Optimize the molecule Cc1nnc(Sc2ccc(C(F)(F)F)c(C#N)c2)n1C to have a higher MR value.,Cc1nnc(Sc2ccc(C(F)(F)F)c(NO)c2)n1C
QED,Optimize the molecule CCC(C)NC(=O)C(C)(C)Oc1ccc(C=Cc2ccncc2)cc1 to have a lower QED value.,CCC(C)(CC)Oc1ccc(C=Cc2ccncc2)cc1
AtomNum,"Please generate a molecule composed of 10 carbon atoms, 3 oxygen atoms, and 1 sulfur atom.",CCC(=O)c1cc([S-])ccc1C(=O)[O-]
BondNum,"There is a molecule composed of 8 single bonds, 2 double bonds, 4 rotatable bonds, and 16 aromatic bonds.",CC(C)=CC(=O)Nc1nnc(Sc2ccnc3cc(Cl)ccc23)s1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, 1 aldehyde group, and 1 halo group.",[NH3+]Cc1cc(C=O)cc(Br)c1O
AddComponent,Add a carboxyl to the molecule Cc1ccccc1C(C)CC1CCC[NH2+]C1.,Cc1ccccc1C(C)(CC1CCC[NH2+]C1)C(=O)O
SubComponent,Substitute a nitrile in the molecule CCn1nc(C)cc1CC1(C#N)CCC(C(C)C)CC1 with a hydroxyl.,CCn1nc(C)cc1CC1(O)CCC(C(C)C)CC1
DelComponent,Modify the molecule CC(Sc1ccccc1C(=O)NC1CCC1)C(=O)[O-] by removing a benzene ring.,CC(SC(=O)NC1CCC1)C(=O)[O-]
LogP,Please modify the molecule O=C(NCC1CCCc2ccccc21)NCC1(O)CCSC1 to increase its LogP value.,O=C(NCC1CCSC1)NCC1CCCc2ccccc21
MR,Modify the molecule CC(=NNC(=O)CSc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 to decrease its MR value.,CC(=NSc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1
QED,Modify the molecule Nc1c(I)sc2cccc(CCl)c12 to have a lower QED value.,ClCc1cccc2sc(I)cc12
AtomNum,"There is a molecule consisting of 10 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, 3 fluorine atoms, and 1 chlorine atom.",CCOc1ccc(NC(=S)Cl)cc1C(F)(F)F
BondNum,"There is a molecule with 28 single bonds, 2 double bonds, 10 rotatable bonds, and 6 aromatic bonds.",CC(C)CC([NH3+])CN1CC(O)C(NC(=O)C(CC(C)C)NC(=O)c2ccc3c(c2)CCCN3)C1
FunctionalGroup,"There is a molecule with 1 halo group, and 1 sulfone group.",C[NH2+]Cc1cc(S(=O)(=O)N2CCC=C(C)C2)c(Br)o1
AddComponent,Please add a hydroxyl to the molecule Cc1ccc(-c2cn3ccnc3c(Nc3cccc(CC(=O)N(C)C)c3)n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1.,Cc1ccc(-c2cn3ccnc3c(Nc3cccc(CC(=O)N(C)C)c3)n2)cc1NC(=O)c1ccc(C(C)(C)CO)cc1
SubComponent,Please substitute a halo in the molecule COc1ccc(CC[NH2+]CCCCO)cc1Cl with a aldehyde.,CC(=O)c1cc(CC[NH2+]CCCCO)ccc1OC
DelComponent,Modify the molecule amide by removing a C[NH+]1CCC(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1.,C[NH+]1CCC2C[NH+](C3CCCCC3)CCC2C1
LogP,Modify the molecule O=C(NCc1ccc(C(F)(F)F)cc1)C(Cc1c[nH]c2ccccc12)N(CCc1ccccc1)C(=O)[O-] to have a lower LogP value.,N#CC(F)(F)c1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)N(CCc2ccccc2)C(=O)[O-])cc1
MR,Modify the molecule NC(=[NH+]Cc1ccccc1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 to increase its MR value.,NC(=[NH+]Cc1ccccc1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1O
QED,Modify the molecule COC1C(C(=O)[O-])OC(OC2C(O)OC(CO)C2O)C(O)C1O to have a higher QED value.,COC1C(C(=O)[O-])OC(OC2C(Cl)OC(CO)C2O)C(O)C1O
AtomNum,"There is a molecule consisting of 23 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 bromine atom.",CCCCNC(=O)C1N(CCCO)C(=O)C2C(C(=O)Nc3ccccc3)C3OC21CC3Br
BondNum,"The molecule is composed of 15 single bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCC1(C(Br)c2ccc(OC)c(Cl)c2OC)CCCC1
FunctionalGroup,"There is a molecule with 1 benzene ring group, 3 amine groups, and 6 halo groups.",CCCCCc1ccc2cc3c(c(-c4cc(CC(F)(F)F)cc(CC(F)(F)F)c4)c2c1)C(N)=[NH+]C3=[NH2+]
AddComponent,Modify the molecule CCc1ccc(-c2cc(OC)ccc2F)c(C(C)(C)C)c1F by adding a hydroxyl.,CCc1cc(O)c(-c2cc(OC)ccc2F)c(C(C)(C)C)c1F
SubComponent,Substitute a halo in the molecule COC(=O)C(C1CCC(=O)C1)S(=O)(=O)c1cccc(F)c1 with a carboxyl.,COC(=O)C(C1CCC(=O)C1)S(=O)(=O)c1cccc(C(=O)[OH])c1
DelComponent,Remove a hydroxyl from the molecule CCCC(C)NC(=O)C1N(C(C)CO)C(=O)C2C(C(=O)NC)C3(CC)CCC21O3.,CCCC(C)NC(=O)C1N(C(C)C)C(=O)C2C(C(=O)NC)C3(CC)CCC21O3
LogP,Please optimize the molecule O=C(c1cc(C2CC2)nc2ccccc12)N(CCO)Cc1cccnc1 to have a higher LogP value.,CCN(Cc1cccnc1)C(=O)c1cc(C2CC2)nc2ccccc12
MR,Modify the molecule Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)c(Br)s1 to decrease its MR value.,Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(NO)c(Br)s1
QED,Modify the molecule COC1CC(C=C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C2CC3(C=CC(O[Si](C)(C)C(C)(C)C)CO3)OC(C)(C)O2)CCC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C to have a higher QED value.,COC1CC(C=C(C)C(O[Si](C)(C)C(C)(C)C)C(C)(O)C2CC3(C=CC(O[Si](C)(C)C(C)(C)C)CO3)OC(C)(C)O2)CCC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
AtomNum,"There is a molecule composed of 19 carbon atoms, and 1 oxygen atom.",CC(C)c1cccc2c1CC(=O)CC21CC2C=CC1C2
BondNum,"Please generate a molecule composed of 5 single bonds, 2 double bonds, 3 rotatable bonds, and 16 aromatic bonds.",O=C(NN=Cc1cccc(F)c1)c1nsc2ccccc12
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 ketone group, 1 amide group, and 1 sulfide group.",Cc1ncsc1CCC(=O)N1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1
AddComponent,Please add a amine to the molecule CC[NH2+]C1CCc2[nH]c3ccc(OC)cc3c2C1.,COc1ccc2[nH]c3c(c2c1)CC([NH2+]C(C)N)CC3
SubComponent,Substitute a halo in the molecule CC(C)(C)OC(=O)N(CCNc1ccc(Br)nc1)C(C)(C)C with a carboxyl.,CC(C)(C)OC(=O)N(CCNc1ccc(C(=O)[OH])nc1)C(C)(C)C
DelComponent,Please remove a halo from the molecule O=C([O-])C1CC1C(=O)NCCCC(F)(F)F.,O=C([O-])C1CC1C(=O)NCCCC(F)F
LogP,Modify the molecule COC(=O)C[NH+](CC(=O)Nc1ccc(SC(F)F)cc1)Cc1cc(OC)cc(OC)c1 to decrease its LogP value.,COC(=O)C[NH+](CC(=O)NSC(F)F)Cc1cc(OC)cc(OC)c1
MR,Modify the molecule CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)ccc2Cl)CC(C)[NH2+]1 to have a higher MR value.,CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(C(=O)[OH])ccc2Cl)CC(C)[NH2+]1
QED,Please modify the molecule COc1ccc(F)cc1C[NH+]1CCN(C(=O)C=Cc2cccc(C)c2)CC1 to decrease its QED value.,COc1ccc(S)cc1C[NH+]1CCN(C(=O)C=Cc2cccc(C)c2)CC1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, and 3 nitrogen atoms.",Cc1cncc(C[NH2+]CCN(C)C2CCCC2)c1
BondNum,"There is a molecule consisting of 17 single bonds, 3 double bonds, 11 rotatable bonds, and 23 aromatic bonds.",CCCCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1
FunctionalGroup,"There is a molecule composed of 2 benzene ring groups, 1 amine group, and 1 nitrile group.",CCOc1cc(-c2nc3ccccc3[nH]2)cc(C(Nc2ccc(C#N)cc2)C(=O)[O-])c1
AddComponent,Please add a benzene ring to the molecule Fc1ccc(C2(CNC(=S)Nc3nc(Cl)cc(Sc4ncccn4)n3)CCCCC2)cc1.,Fc1ccc(C2(CNC(=S)Nc3nc(Cl)cc(Sc4nccc(-c5ccccc5)n4)n3)CCCCC2)cc1
SubComponent,Substitute a halo in the molecule Cc1c2c(n3ccccc13)C(CC(=O)Nc1ccc(Br)cc1)CCC2 with a aldehyde.,CC(=O)c1ccc(NC(=O)CC2CCCc3c(C)c4ccccn4c32)cc1
DelComponent,Please remove a CCC[NH+]=C1NC2C(CC(CO)C(C=O)C2C=O)S1 from the molecule hydroxyl.,CCC[NH+]=C1NC2C(CC(C)C(C=O)C2C=O)S1
LogP,Optimize the molecule c1nc(N2CCC([NH+]3CCOCC3)C2)cc(N2CCC([NH+]3CCOCC3)C2)n1 to have a higher LogP value.,c1ccc(-c2nc(N3CCC([NH+]4CCOCC4)C3)cc(N3CCC([NH+]4CCOCC4)C3)n2)cc1
MR,Please modify the molecule O=C1CCC(C(=O)N2CC[NH+](CCN3CCCCC3)CC2)N1 to decrease its MR value.,CCC(=O)N1CC[NH+](CCN2CCCCC2)CC1
QED,Please modify the molecule CCCN(CC(=O)Nc1ccccc1OC)C(=O)COc1ccc(Br)cc1F to decrease its QED value.,COc1ccccc1NC(=O)CN(CC(C)c1ccccc1)C(=O)COc1ccc(Br)cc1F
AtomNum,"There is a molecule consisting of 10 carbon atoms, 1 oxygen atom, 1 nitrogen atom, 1 sulfur atom, and 4 fluorine atoms.",NC(=S)c1ccccc1OCC(F)(F)C(F)F
BondNum,"Please generate a molecule with 10 single bonds, 2 double bonds, 2 rotatable bonds, and 17 aromatic bonds.",Cc1nc2ncccc2cc1C(=O)N1CCN(c2ccccc2)C(=O)C1
FunctionalGroup,"The molecule is composed of 2 thioether groups, and 1 sulfide group.",CCC(CNC(=O)NC1CCCSC1)C(=O)[O-]
AddComponent,Please add a carboxyl to the molecule CCCn1nc(C(=O)Nc2ncc[nH]2)ccc1=O.,CCCn1nc(C(=O)Nc2nc(C(=O)O)c[nH]2)ccc1=O
SubComponent,Modify the molecule halo by substituting a O=C([O-])CCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1C(=O)NC1CCCNC1=O with a aldehyde.,CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCC(=O)[O-])C(C(=O)NC3CCCNC3=O)C2)cc1
DelComponent,Please remove a Oc1ccc(Br)cc1C=Nn1c(COc2ccccc2)n[nH]c1=S from the molecule hydroxyl.,S=c1[nH]nc(COc2ccccc2)n1N=Cc1cccc(Br)c1
LogP,Optimize the molecule CC(C)Cc1ccc(C(=O)CCC(=O)NCc2cccc(Cn3cncn3)c2)cc1 to have a higher LogP value.,CC(C)Cc1ccc(C(=O)CCc2cccc(Cn3cncn3)c2)cc1
MR,Please modify the molecule COCc1ccc(C[NH2+]C2COc3ccccc32)cc1 to decrease its MR value.,COCC[NH2+]C1COc2ccccc21
QED,Optimize the molecule CCCCC[NH2+]Cc1c(N)cccc1O to have a higher QED value.,CCCCC[NH2+]Cc1ccccc1O
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",COc1cccc(CN(C)c2nc(C[NH+]3CCOCC3)nc3sc4c(c23)CCC4)c1
BondNum,"Please generate a molecule with 21 single bonds, 5 double bonds, 7 rotatable bonds, and 12 aromatic bonds.",O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCCCCC1
FunctionalGroup,"There is a molecule with 2 thioether groups, and 1 sulfide group.",[NH3+]C1CC([NH2+]CC2CCCS2)C1
AddComponent,Add a hydroxyl to the molecule COc1ccc(OC)c(Nc2ccc(C(=O)NCCC3=CCCCC3)nc2)c1.,COc1ccc(OC)c(Nc2ccc(C(=O)NCCC3=CCCCC3)nc2O)c1
SubComponent,Modify the molecule halo by substituting a CC(C)Oc1nc(Cl)nc(NCCc2ncon2)n1 with a thiol.,CC(C)Oc1nc(S)nc(NCCc2ncon2)n1
DelComponent,Remove a Nc1ccc(C=Cc2ccc(Cn3[nH]cc(N=Nc4ccccc4C(=O)[O-])c3=O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1 from the molecule benzene ring.,Nc1ccc(C=Cc2ccc(Cn3[nH]cc(N=NC(=O)[O-])c3=O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1
LogP,Modify the molecule CC(O)c1nc2ccccc2n1CCOc1ccccc1 to have a higher LogP value.,CCc1nc2ccccc2n1CCOc1ccccc1
MR,Modify the molecule COC=C1CCC(CNC(=O)OC(C)(C)C)(C(=O)N(C)C2CCC2)CC1 to have a lower MR value.,COC=C1CCC(NC(=O)OC(C)(C)C)CC2(CCC2)CC1
QED,Modify the molecule Cc1cc(NC(=S)NC(=O)C(C)(C)C)no1 to increase its QED value.,Cc1cc(C(=S)NC(=O)C(C)(C)C)no1
AtomNum,"Please generate a molecule with 29 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",CCc1ccc(-c2ccccc2NC(=O)c2csc(C3CCN(C(=O)CCN4C(=O)CSC4=O)CC3)n2)cc1
BondNum,"The molecule consists of 9 single bonds, 1 double bond, 6 rotatable bonds, and 12 aromatic bonds.",CCCNc1cncc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1
FunctionalGroup,"There is a molecule consisting of 1 amine group, and 1 nitro group.",COc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)CCC(N(Cc2cc4c(cn2)OCCO4)C(=O)[O-])C3)n1
AddComponent,Modify the molecule COc1ccc(Nc2nn3c(NCC4CC4)cc(C)nc3c2C(N)=O)cc1 by adding a benzene ring.,COc1ccc(Nc2nn3c(NC(c4ccccc4)C4CC4)cc(C)nc3c2C(N)=O)cc1
SubComponent,Substitute a nitrile in the molecule Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CCCC1 with a nitro.,Cc1nc2c(NO)cnn2c(C)c1CCC(=O)NC1CCCC1
DelComponent,Modify the molecule halo by removing a Cc1ccc(C2CC2B2OC(C)(C)C(C)(C)O2)cc1F.,Cc1ccc(C2CC2B2OC(C)(C)C(C)(C)O2)cc1
LogP,Please modify the molecule CSCC(C)c1cn(Cc2ccc(-c3ccccc3S(=O)(=O)NC(=O)Nc3ccc(C)cc3)cc2)cn1 to increase its LogP value.,CSCC(C)c1cn(Cc2ccc(-c3ccccc3S(=O)(=O)NC(=O)Nc3ccc(C)cc3)cc2)c(-c2ccccc2)n1
MR,Please optimize the molecule CC1(C)C[NH+](Cc2ccccc2Cl)CCC1(O)C[NH+]1CCOCC1 to have a lower MR value.,CC1(C)C[NH+](CCl)CCC1(O)C[NH+]1CCOCC1
QED,Please modify the molecule COc1ccc(F)c(N2CCC(C[NH2+]C3CC3)C2)c1 to decrease its QED value.,COc1ccc(C(=O)[OH])c(N2CCC(C[NH2+]C3CC3)C2)c1
AtomNum,"Please generate a molecule consisting 10 carbon atoms, and 2 oxygen atoms.",COC(C=O)C1CCCCCC1
BondNum,"The molecule contains 35 single bonds, 5 double bonds, 30 rotatable bonds, and 36 aromatic bonds.",CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(N=Cc3ccc(OC(=O)c4ccc(C=Nc5ccc(OC(=O)c6ccc(OCCCCCCCCCC)cc6)cc5)cc4)cc3)cc2)cc1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 ketone group, and 3 halo groups.",O=C(Cc1ccc(Br)cc1)Cc1cc(F)ccc1Cl
AddComponent,Please add a benzene ring to the molecule CC(C)C(NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2n1C(C)C.,CC(C)C(NC(=O)c1c(-c2ccccc2)cc(Cl)cc1-n1cnnn1)c1nc2ccccc2n1C(C)C
SubComponent,Substitute a O=C([O-])CC(NC(=O)C1N(C(=O)Nc2cccc(Cl)c2)CCN1C(=O)c1cc(F)cc(F)c1)C1CCCCC1 in the molecule halo with a carboxyl.,O=C([O-])CC(NC(=O)C1N(C(=O)Nc2cccc(C(=O)[OH])c2)CCN1C(=O)c1cc(F)cc(F)c1)C1CCCCC1
DelComponent,Please remove a CC1(CNc2nc3ccc(N)cc3s2)CCCS1 from the molecule amine.,CC1(Cc2nc3ccc(N)cc3s2)CCCS1
LogP,Modify the molecule CCc1ccccc1-n1nnc(Sc2nc(-c3ccccc3)cs2)n1 to have a lower LogP value.,CCc1ccccc1-n1nnc(Sc2nccs2)n1
MR,Please optimize the molecule C=C(CNCCS(=O)(=O)CC)C(=O)OCC to have a higher MR value.,C=C(CNCCS(=O)(=O)CC)C(=O)OC(C)O
QED,Modify the molecule C[NH+](C)C(C)(C)CNC(=O)c1ccc(C#CCO)cc1F to decrease its QED value.,C[NH+](C)C(C)(CNC(=O)c1ccc(C#CCO)cc1F)Cc1ccccc1
AtomNum,"Please generate a molecule consisting 15 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 2 sulfur atoms.",N#Cc1ccccc1S(=O)(=O)N1CC(S(=O)(=O)Cc2ccco2)C1
BondNum,"The molecule has 14 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)OC)ccc21
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 hydroxyl group, and 2 amide groups.",O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(C(=O)c2ccccc2O)CC1
AddComponent,Modify the molecule C=[P+](CC)CC([P+](=C)CC)[P+](=C)C(O)C12CC1C(C)C(C)(O)C2C by adding a benzene ring.,C=[P+](CC([P+](=C)CC)[P+](=C)C(O)C12CC1C(C)C(C)(O)C2C)C(C)c1ccccc1
SubComponent,Substitute a O=[N+]([O-])c1ccc(C[NH2+]CCC[NH+]2CCOCC2)o1 in the molecule nitro with a thiol.,O=[SH]c1ccc(C[NH2+]CCC[NH+]2CCOCC2)o1
DelComponent,Remove a amine from the molecule CCOc1ccc(N)cc1Cn1cnc(C#N)n1.,CCOc1ccccc1Cn1cnc(C#N)n1
LogP,Optimize the molecule O=C([O-])C1CCC(C[NH2+]C2CCOc3ccccc32)CC1 to have a higher LogP value.,O=C([O-])C1CCC(C[NH2+]C2CCOc3ccccc32)(c2ccccc2)CC1
MR,Please optimize the molecule O=C(C=Cc1ccc(-c2ccc(Br)cc2)s1)NCCC(=O)N1CCCC1 to have a higher MR value.,CC(=O)c1ccc(-c2ccc(C=CC(=O)NCCC(=O)N3CCCC3)s2)cc1
QED,Please modify the molecule Cc1cc(C)c2c(c1)CC([NH3+])CN2 to decrease its QED value.,Cc1cc(C)c2c(c1)C(N)C([NH3+])CN2
AtomNum,"There is a molecule consisting of 16 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 sulfur atoms.",COC(=O)C(N)CS(=O)(=O)c1ccc(Sc2ccccc2)cc1
BondNum,"There is a molecule with 22 single bonds, 4 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",CCN1c2ccc(OC)cc2C=CC1CC=C1CCCC(C=Cc2ccc3cc(OC)ccc3[n+]2CC)=C1Cl
FunctionalGroup,The molecule is composed of and 4 halo groups.,Clc1nc2cc(Br)c(Br)cc2nc1Cl
AddComponent,Add a benzene ring to the molecule O=C(NC1CC[NH2+]CC1)c1cc(C(F)(F)F)ccc1Br.,O=C(NC1CC[NH2+]CC1)c1cc(C(F)(F)F)c(-c2ccccc2)cc1Br
SubComponent,Please substitute a CCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)Nc1cc(C)on1 in the molecule halo with a hydroxyl.,CCCCn1c(Cc2csc(Nc3cccc(O)c3)n2)nnc1SCC(=O)Nc1cc(C)on1
DelComponent,Modify the molecule NC(=O)CCSC(=S)N1CCOCC1 by removing a amide.,CSC(=S)N1CCOCC1
LogP,Please optimize the molecule CC(C)(C)OC(=O)NCCC(=O)Nc1cc(C2CCCCCC2)[nH]n1 to have a lower LogP value.,CC(C)(CO)OC(=O)NCCC(=O)Nc1cc(C2CCCCCC2)[nH]n1
MR,Modify the molecule Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)C1CCCCC1 to have a lower MR value.,Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)C1CCCCC1
QED,Please optimize the molecule CCC1(NC(=O)C(Cl)(Cl)Cl)Oc2ccccc2C1C to have a higher QED value.,CCC1(NC(=O)C(Cl)Cl)Oc2ccccc2C1C
AtomNum,"There is a molecule with 51 carbon atoms, 10 oxygen atoms, 10 nitrogen atoms, and 1 sulfur atom.",CC1(C)CC(C(=O)C(CS)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C2CCCN2C(=O)C2CCCN2C(=O)C2CCCN2C(=O)C2CCCN2C(=O)C2CCCN2C(=O)C2CCC[NH2+]2)C(C)(C)N1O
BondNum,"There is a molecule composed of 22 single bonds, 2 double bonds, and 1 rotatable bond.",O=C(NC(=S)N1CCCCC1)C12CC3CC(CC(C3)C1)C2
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 2 amide groups, 1 amine group, 1 halo group, and 1 sulfone group.",CC1(C)Cc2c(c3c(n2-c2cc(F)c(C(N)=O)c(NC4CCC(C(=O)NCC[NH+]5CCOCC5)CC4)c2)CCC3)S(=O)(=O)C1
AddComponent,Modify the molecule CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCC1 by adding a hydroxyl.,CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCC1O
SubComponent,Modify the molecule halo by substituting a C=C(C)C(=O)Nc1cccc(OC(=O)Nc2ccccc2Cl)c1 with a nitrile.,C=C(C)C(=O)Nc1cccc(OC(=O)Nc2ccccc2C#N)c1
DelComponent,Please remove a halo from the molecule OCC[NH+]1CCN(c2cc(-c3ccc(F)cc3)nc(-c3cccnc3)n2)CC1.,OCC[NH+]1CCN(c2cc(-c3ccccc3)nc(-c3cccnc3)n2)CC1
LogP,Optimize the molecule O=C(NC1c2ccccc2CC1Cl)c1cccc(F)c1 to have a lower LogP value.,O=C(NC1c2ccccc2CC1Cl)c1ccccc1
MR,Modify the molecule COc1ccccc1SCC1OC(c2ccc(-c3cccc(CNS(=O)(=O)c4ccccc4)c3)cc2)OC(c2ccc(CO)cc2)C1C to decrease its MR value.,COc1ccccc1SCC1OC(c2ccc(-c3cccc(CN[SH](=O)=O)c3)cc2)OC(c2ccc(CO)cc2)C1C
QED,Optimize the molecule CC(O)Oc1ccccc1Cl to have a lower QED value.,CC(O)Oc1ccccc1C(=O)[OH]
AtomNum,"There is a molecule with 38 carbon atoms, 7 oxygen atoms, and 7 nitrogen atoms.",CCC(C)C1NC(=O)CCCN(C(=O)CCc2ccc(OC)cc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2C(C)NC1=O
BondNum,"Please generate a molecule composed of 21 single bonds, 5 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",COC1=CC=C2C(=C(O)c3cc(OC)c(OC)c(OC)c3)C(=C[NH+](C)C)OC2C1=O
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 3 amine groups.",C[NH+]=C(NCc1ccnc(N2CCCC2)c1)NCC(C)c1ccccc1
AddComponent,Please add a aldehyde to the molecule Nc1cnc2c(C3CCCCC3)nnn2c1.,Nc1cnc2c(C3CCCC(CC=O)C3)nnn2c1
SubComponent,Substitute a Cc1nc(-c2ccc(Cn3c[n+](C4OC(COP(=O)(O)OP(=O)(O)O)C(O)C4O)c4nc(N)nc(O)c43)cc2)no1 in the molecule hydroxyl with a halo.,Cc1nc(-c2ccc(Cn3c[n+](C4OC(COP(=O)(Br)OP(=O)(O)O)C(O)C4O)c4nc(N)nc(O)c43)cc2)no1
DelComponent,Please remove a amide from the molecule Cc1cc(C)c(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)c(C)c1.,Cc1cc(C)c(Cc2nc(-c3cccc4ccccc34)no2)c(C)c1
LogP,Modify the molecule O=C(C1=C(c2cnc(N3CCC(Oc4c(F)ccc(F)c4Cl)C3)s2)CC2CNCC1[NH2+]2)N(Cc1cccc(Cl)c1Cl)C1CC1 to decrease its LogP value.,O=C([OH])c1ccc(F)c(Cl)c1OC1CCN(c2ncc(C3=C(C(=O)N(Cc4cccc(Cl)c4Cl)C4CC4)C4CNCC(C3)[NH2+]4)s2)C1
MR,Modify the molecule CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)CSC12)c1csc(=NC(=O)CCl)n1O to have a higher MR value.,CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(C)(C)CO)=C(COC(C)=O)CSC12)c1csc(=NC(=O)CCl)n1O
QED,Please modify the molecule COCC(=O)Nc1nnc(SCC(=O)OC)s1 to increase its QED value.,COC(=O)CSc1nnc(OC)s1
AtomNum,"There is a molecule with 35 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CN(C)c1ccc(N2C(=O)C(O)=C(c3ccc(OCc4ccccc4)cc3)C2c2ccc(C(C)(C)C)cc2)cc1
BondNum,"The molecule is composed of 12 single bonds, 1 triple bond, 4 rotatable bonds, and 15 aromatic bonds.",C[NH+]1CCC(CNc2nn3c(-c4cccc(C#N)c4)c[nH+]c3s2)CC1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 1 amine group, and 1 nitro group.",C[NH+](C)Cc1ccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1
AddComponent,Add a benzene ring to the molecule Cc1cc(C)cc(OCC(=O)NCCOc2ccccc2)c1.,Cc1cc(C)cc(OC(C(=O)NCCOc2ccccc2)c2ccccc2)c1
SubComponent,Please substitute a halo in the molecule Cc1cc(F)ccc1C(O)c1cc2ccccc2o1 with a nitro.,Cc1cc(NO)ccc1C(O)c1cc2ccccc2o1
DelComponent,Modify the molecule halo by removing a C=CC(=O)C1=CCCc2ccc(Br)cc21.,C=CC(=O)C1=CCCc2ccccc21
LogP,Optimize the molecule O=C(NC1CCCNC1=O)C1CCC2CCCCC2C1 to have a higher LogP value.,O=C1NCCCC1C1CCC2CCCCC21
MR,Modify the molecule COc1cc(Br)c(C(=O)N(C(=O)c2cc(OC)c(OC)cc2Br)c2cccc3cnccc23)cc1OC to increase its MR value.,CC(=O)c1cc(OC)c(OC)cc1C(=O)N(C(=O)c1cc(OC)c(OC)cc1Br)c1cccc2cnccc12
QED,Modify the molecule Cc1cc(C(C)C)n(C(F)(F)F)n1 to increase its QED value.,Cc1cc(C(C)C)n(C(O)(F)F)n1
AtomNum,"Please generate a molecule consisting 33 carbon atoms, 5 oxygen atoms, and 6 nitrogen atoms.",COc1ccc(C[NH+](CC(O)CNC(=O)c2cncc(NC3CCN(C(C)=O)CC3)n2)C2Cc3ccccc3C2)c(OC)c1
BondNum,"There is a molecule consisting of 10 single bonds, 3 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",CC(=O)Nc1cccn(CC(=O)OC(C)(C)C)c1=O
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ester group, 1 amide group, 1 nitro group, 1 halo group, and 1 nitrile group.",N#CCCN(C(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1
AddComponent,Modify the molecule COc1ccc(N2CCOCC2)c2sc(C(=O)NCc3cccnc3)nc12 by adding a amine.,COc1ccc(N2CCOC(N)C2)c2sc(C(=O)NCc3cccnc3)nc12
SubComponent,Substitute a halo in the molecule OCCC1(C[NH2+]Cc2cc(Br)c(Br)s2)CC1 with a nitrile.,N#Cc1cc(C[NH2+]CC2(CCO)CC2)sc1Br
DelComponent,Remove a halo from the molecule Cc1cc(F)ccc1NC(=O)c1ccccc1CSC1=NCCS1.,Cc1ccccc1NC(=O)c1ccccc1CSC1=NCCS1
LogP,Please optimize the molecule CC(C)Oc1ccc(-c2noc(-c3ccnc4c3ccn4CCC(=O)[O-])n2)cc1Cl to have a lower LogP value.,CC(=O)c1cc(-c2noc(-c3ccnc4c3ccn4CCC(=O)[O-])n2)ccc1OC(C)C
MR,Please modify the molecule C[NH2+]C(CSC)C(=O)C=C[NH3+] to increase its MR value.,CSCC([NH2+]CC(=O)O)C(=O)C=C[NH3+]
QED,Please modify the molecule O=c1n(-c2cccc3ccccc23)c(=O)n(CCO)n1CCO to increase its QED value.,O=c1n(-c2cccc3ccccc23)c(=O)n(CCF)n1CCO
AtomNum,"There is a molecule consisting of 18 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",CCCOC[NH2+]CC(O)COc1ccc(C(C)C)cc1C(C)=O
BondNum,"The molecule consists of 16 single bonds, 2 double bonds, 8 rotatable bonds, and 12 aromatic bonds.",O=C(CC1C[NH2+]CCN1CC(=O)NCc1ccccc1)NCc1ccccc1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 amide group.",Cc1ccc(C(=O)NCc2cc3cc(C(C)C)ccc3[nH]c2=O)cc1C
AddComponent,Modify the molecule COCC1CCC[NH+](CC(O)c2ccc(C#N)cc2)C1 by adding a amine.,COCC1CCC[NH+](CC(N)(O)c2ccc(C#N)cc2)C1
SubComponent,Substitute a halo in the molecule [NH3+]C1CCCCC1N(S)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 with a aldehyde.,CC(=O)C(F)(F)c1cc(NC(=O)N(S)C2CCCCC2[NH3+])cc(C(F)(F)F)c1
DelComponent,Please remove a benzene ring from the molecule Cc1cc(C)cc(COC(=O)NNC(=O)Cc2ccccc2)c1.,CCCOC(=O)NNC(=O)Cc1ccccc1
LogP,Please modify the molecule COc1cc(-c2ccccc2)c(C(F)(F)F)cc1C(=O)[O-] to decrease its LogP value.,COc1cc(-c2ccccc2)c(C(F)(F)C#N)cc1C(=O)[O-]
MR,Please optimize the molecule CC1(C)CC23CCCC2CC(CN(C=O)OCc2ccccc2)C(=O)N3C1C(N)=O to have a lower MR value.,CC1(C)CC23CCCC2CC1(C(N)=O)C3N(C=O)OCc1ccccc1
QED,Please optimize the molecule COC(=O)C(C[NH+](C)Cc1ccccc1)C(C)C to have a lower QED value.,COC(=O)C(C[NH+](C)C)C(C)C
AtomNum,"Please generate a molecule composed of 14 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1nsc(NC(=O)CCc2ccccc2Cl)c1C(=O)[O-]
BondNum,"The molecule has 6 single bonds, 4 rotatable bonds, and 51 aromatic bonds.",CC(C)(c1ccc2c3ccccc3n(-c3ccccc3)c2c1)c1ccc2c3ccccc3n(-c3ccc4sc5cnccc5c4c3)c2c1
FunctionalGroup,"Please generate a molecule with 4 ester groups, and 4 amide groups.",COC(=O)C(CC(C)C)NC(=O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(=O)NC(CC(C)C)C(=O)OC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)NC(CC(C)C)C(=O)OC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)NC(CC(C)C)C(=O)OC)C2
AddComponent,Modify the molecule CC1=CN(C(=O)Nc2cccc(-c3nn(C4CCCCO4)c4ccc(-c5ncn(C(c6ccccc6)(c6ccccc6)c6ccccc6)n5)cc34)c2)CC=C1 by adding a aldehyde.,CC1=CN(C(=O)Nc2cccc(-c3nn(C4CCCCO4)c4ccc(-c5ncn(C(c6ccccc6)(c6ccccc6)c6ccccc6)n5)cc34)c2CC=O)CC=C1
SubComponent,Substitute a COC(=O)C(C)c1c(C)cc(C)cc1F in the molecule halo with a carboxyl.,COC(=O)C(C)c1c(C)cc(C)cc1C(=O)[OH]
DelComponent,Modify the molecule O=CC1CCc2nnn(N3CC4(CCN(C(=O)OCc5ccc(OCC(F)(F)F)c(F)c5)CC4)C3)c2C1 by removing a aldehyde.,O=C(OCc1ccc(OCC(F)(F)F)c(F)c1)N1CCC2(CC1)CN(n1nnc3c1CCC3)C2
LogP,Modify the molecule CCNc1cc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)ccc1C(=O)[O-] to have a higher LogP value.,CCc1cc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)ccc1C(=O)[O-]
MR,Modify the molecule COc1ccc(OCc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1 to increase its MR value.,COc1ccc(OCc2nc3ccc(C(F)(F)F)c(O)c3nc2-c2ccccc2)cc1
QED,Optimize the molecule CCC(NC(=O)OC)C(=O)N1C(C)CCC1c1nc(-c2ccc(-c3ccc(-c4c[nH+]c(C5CC6CC6N5C(=O)C(CC)NC(=O)OC)[nH]4)cc3)cc2)c(Cl)[nH]1 to have a lower QED value.,CCC(NC(=O)OC)C(=O)N1C(C)CCC1c1nc(-c2ccc(-c3ccc(-c4c[nH+]c(C5CC6CC6N5C(=O)C(CC)NC(=O)OC)[nH]4)cc3)cc2)c(S)[nH]1
AtomNum,"Please generate a molecule with 21 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 fluorine atom.",O=C1CN(C(=O)CCCc2ccc(F)cc2)CC(Cc2ccccc2)N1
BondNum,"Please generate a molecule composed of 6 single bonds, 3 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",CC(C=NNc1nc(=O)cc(C)[nH]1)=Cc1ccccc1
FunctionalGroup,"There is a molecule composed of 1 ester group, and 1 amine group.",CCOC(=O)C(C)CNc1ccn(C)n1
AddComponent,Modify the molecule O=C(CCCN1CC[NH2+]CC1)C1CCC1 by adding a benzene ring.,O=C(CCCN1CC[NH2+]CC1)C1(c2ccccc2)CCC1
SubComponent,Substitute a halo in the molecule CCC(C)NC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 with a hydroxyl.,CCC(C)NC(=O)C(Cc1ccccc1)N(Cc1ccccc1O)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1
DelComponent,Modify the molecule halo by removing a Cc1ccc(N=Cc2c(O)[nH]c3ccc(F)cc23)cc1Cl.,Cc1ccc(N=Cc2c(O)[nH]c3ccc(F)cc23)cc1
LogP,Please modify the molecule O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc(Cl)c(Cl)c1 to decrease its LogP value.,CC(=O)c1ccc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)cc1Cl
MR,Please modify the molecule CC(C)=CCCC1(C)C=Cc2c(cc(-c3ccccc3)c(C(=O)[O-])c2O)O1 to increase its MR value.,CC(C)=CCCC1(C)C=Cc2c(cc(-c3ccccc3)c(C(=O)[O-])c2Cl)O1
QED,Modify the molecule CCS(=O)(=O)CCN1C[NH2+]C(CC(C)C)C1=O to have a lower QED value.,CCS(=O)(=O)CCC([NH2+]C)C(C)C
AtomNum,"There is a molecule composed of 15 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 4 fluorine atoms.",C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2F)on1
BondNum,"The molecule has 20 single bonds, 1 double bond, and 1 rotatable bond.",CC1CCC([NH3+])C(C(=O)N2CC[NH+](C(C)(C)C)CC2)C1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, and 1 hydroxyl group.",Cc1ccc(C(C)NC(=O)NCC(O)C(=O)[O-])cc1
AddComponent,Add a benzene ring to the molecule CC1CN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1C.,CC1CN(C(=O)C2([NH+]3CCOCC3c3ccccc3)CCC2)CC1C
SubComponent,Please substitute a thiol in the molecule COC(=O)C(CS)[NH2+]CC=C(C)C with a carboxyl.,COC(=O)C(CC(=O)[OH])[NH2+]CC=C(C)C
DelComponent,Please remove a halo from the molecule Nc1cccc(C2CC2(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)C(=O)[O-])c1.,Nc1cccc(C2CC2(NS(=O)(=O)c2ccc(-c3cc(C(F)F)on3)s2)C(=O)[O-])c1
LogP,Modify the molecule Cc1c(C(=O)C[NH+]2CC(O)CC(O)C2)c2ncc(CCC(N)=O)cc2n1-c1ccc(C#N)cc1 to increase its LogP value.,Cc1c(C(=O)C[NH+]2CC(O)CC(O)C2)c2ncc(CCC(N)=O)cc2n1-c1ccc(C#N)c(-c2ccccc2)c1
MR,Modify the molecule CCc1ccc(-n2nc(C(=O)NC3CC[NH2+]CC3)c3c2CCC3)cc1 to have a higher MR value.,CCc1ccc(-n2nc(C(=O)NC3CC[NH2+]C(O)C3)c3c2CCC3)cc1
QED,Modify the molecule Cc1cc(OCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl to decrease its QED value.,Cc1cc(OCC(=O)Oc2cc(Cl)ccc2Cl)ccc1Cl
AtomNum,"Please generate a molecule consisting 23 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",C=CCN=C(CCCN1C(=O)c2ccccc2C1=O)C1C(=O)CC(C)(C)CC1=O
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 8 rotatable bonds, and 12 aromatic bonds.",CCCCCNc1cc(C(=O)NCc2ccccn2)ncn1
FunctionalGroup,"There is a molecule with 1 benzene ring group, and 1 sulfide group.",C[NH2+]Cc1sc(N(C)c2ccccc2C)nc1C(C)(C)C
AddComponent,Add a benzene ring to the molecule Cc1ccc(NC(=O)COC(=O)C(NC(=O)Cc2ccccc2)C(C)C)cc1F.,Cc1cc(-c2ccccc2)c(NC(=O)COC(=O)C(NC(=O)Cc2ccccc2)C(C)C)cc1F
SubComponent,Substitute a CC1(C)CC([NH+]2CCCC(CCO)C2)C(C)(C)O1 in the molecule hydroxyl with a thiol.,CC1(C)CC([NH+]2CCCC(CCS)C2)C(C)(C)O1
DelComponent,Remove a halo from the molecule CCc1c(C2CC[NH2+]C2)cc(Br)c2c1OCCCO2.,CCc1c(C2CC[NH2+]C2)ccc2c1OCCCO2
LogP,Modify the molecule CSc1ccc(S(=O)(=O)NC(C)COc2ccc(C)c(C)c2)cc1NC(=O)C(C)C to have a lower LogP value.,CSc1ccc(S(=O)(=O)NC(C)COc2cc(C)c(C)cc2O)cc1NC(=O)C(C)C
MR,Modify the molecule CCSCCNc1cc(-c2ncnc(Nc3ccc(OC)nc3)n2)ccn1 to have a lower MR value.,CCSCCNc1cc(-c2ncnc(-c3ccc(OC)nc3)n2)ccn1
QED,Please optimize the molecule COCCOc1cncc(-c2cc3c(ccc4c5c([nH]c43)CC=NC5=O)cn2)c1 to have a lower QED value.,COCCOc1cncc(-c2cc3c(cn2)cc(-c2ccccc2)c2c4c([nH]c23)CC=NC4=O)c1
AtomNum,"There is a molecule consisting of 22 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 2 chlorine atoms.",O=C(Oc1ccc(N2C(=O)C3C4CCC(C4)C3C2=O)cc1)c1ccc(Cl)cc1Cl
BondNum,"There is a molecule composed of 9 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",ONC(=S)C(c1ccccc1)c1ccccc1C(F)(F)F
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 amide group.",CC1(C[NH3+])CCN(C(=O)C2(c3ccccc3)CCCC2)C1
AddComponent,Add a carboxyl to the molecule CCOC(I)=CB1C2CCCC1CCC2.,CC(OC(I)=CB1C2CCCC1CCC2)C(=O)O
SubComponent,Substitute a nitrile in the molecule N#CCCCNC(=O)Cc1cccc(O)c1 with a hydroxyl.,O=C(Cc1cccc(O)c1)NCCCO
DelComponent,Please remove a halo from the molecule [NH3+]CCc1c(Cl)cccc1OCOCC1CC1.,[NH3+]CCc1ccccc1OCOCC1CC1
LogP,Modify the molecule CC(C)CC(=O)N(CC[NH+]1CCOCC1)Cc1nccn1Cc1cccc(Cl)c1 to have a higher LogP value.,CC(C)C(CC[NH+]1CCOCC1)c1nccn1Cc1cccc(Cl)c1
MR,Please modify the molecule CC1(C)CC2(C)c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)C6(C)CC(C)(C)CC6(C)N7c6ccccc6)ccc4C5)ccc3N(c3ccccc3)C2(C)C1 to decrease its MR value.,CC1(C)CC2(C)Nc3ccc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)C6(C)CC(C)(C)CC6(C)N7c6ccccc6)ccc4C5)cc3C2(C)C1
QED,Modify the molecule Cc1ccnc2c1nc(C(C)C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1 to have a higher QED value.,Cc1ccnc2c1nc(C(C)C)n2Cc1ccccc1C(=O)[O-]
AtomNum,"Please generate a molecule with 3 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 sulfur atoms.",NC(NS)=[NH+]C(=O)C=S
BondNum,"The molecule contains 12 single bonds, 4 double bonds, 9 rotatable bonds, and 18 aromatic bonds.",COc1ccc(C=NNc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[N+](=O)[O-])cc1
FunctionalGroup,"There is a molecule with 1 hydroxyl group, 1 amide group, and 1 sulfide group.",Cc1ccc(C(=O)NCC2CCCCC2CO)s1
AddComponent,Add a benzene ring to the molecule CC(C)NC(=O)CCNc1ccc2nnc(=O)n-2[nH]1.,CC(Cc1ccccc1)NC(=O)CCNc1ccc2nnc(=O)n-2[nH]1
SubComponent,Please substitute a hydroxyl in the molecule Cc1cc(C(=O)NCC(F)F)cc(NC(O)C2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1 with a nitrile.,Cc1cc(C(=O)NCC(F)F)cc(NC(C#N)C2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1
DelComponent,Please remove a halo from the molecule N#Cc1nc(-c2ccc(F)cc2)[nH]c1C(N)=O.,N#Cc1nc(-c2ccccc2)[nH]c1C(N)=O
LogP,Optimize the molecule CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C=O)CC3)c2)CC1 to have a lower LogP value.,CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C=O)CC3)c2)CC1N
MR,Modify the molecule CCC(CC)N(CCO)c1cc(NN)nc(SC)n1 to have a higher MR value.,CCC(CC)N(CCO)c1cc(NN)nc(SCO)n1
QED,Modify the molecule CC(C)n1ccnc1NCC1CCOCC1 to have a lower QED value.,CC(C)n1ccnc1CC1CCOCC1
AtomNum,"The molecule contains 28 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 2 fluorine atoms.",Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)C[NH+](Cc1c(F)cccc1F)CC2
BondNum,"There is a molecule composed of 20 single bonds, 3 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",CCOC(=O)c1c(NC(C)(C)C)oc(N(C(=O)c2ccncc2)C(C)(C)C)c1C(=O)OCC
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfide group.",CCOc1ccc2nc(NC(=O)c3cc4cccnc4n(Cc4ccc(Cl)cc4)c3=O)sc2c1
AddComponent,Add a benzene ring to the molecule O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCCC1CCc1ccccc1.,O=C(CNS(=O)(=O)c1cc(-c2ccccc2)cc(C(F)(F)F)c1)N1CCCC1CCc1ccccc1
SubComponent,Substitute a halo in the molecule Cc1ccc2oc(C=CC(=O)Nc3ncc(Cc4ccccc4F)s3)cc2c1 with a aldehyde.,CC(=O)c1ccccc1Cc1cnc(NC(=O)C=Cc2cc3cc(C)ccc3o2)s1
DelComponent,Please remove a C[NH2+]Cc1ccc(OCCOc2ccccc2C(C)(C)C)cc1 from the molecule benzene ring.,C[NH2+]COCCOc1ccccc1C(C)(C)C
LogP,Please modify the molecule CC(C)[N+]1(C(=O)OCc2ccccc2)N=CC2=C1C(=O)C(Br)C1(CC[NH2+]CC1)C2 to increase its LogP value.,CC(C)[N+]1(C(=O)OCc2ccccc2)N=CC2=C1C(=O)C(Br)C1(CC[NH2+]CC1c1ccccc1)C2
MR,Modify the molecule CCN(CC(=O)OC)C(=O)OCC(C)C to have a higher MR value.,CCN(CC(=O)OC)C(=O)OCC(C)Cc1ccccc1
QED,Optimize the molecule CC(C)C[NH2+]Cc1nnnn1CC(C)c1ccccc1 to have a lower QED value.,CC(Cn1nnnc1C[NH2+]CC(C)(C)N)c1ccccc1
AtomNum,"The molecule contains 23 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 3 sulfur atoms, and 1 chlorine atom.",C#CCn1c(=NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)sc2cc(SC)ccc21
BondNum,"There is a molecule consisting of 12 single bonds, 2 double bonds, 3 rotatable bonds, and 10 aromatic bonds.",COc1cccc2cc(C(=O)N3CCOCC3C(=O)[O-])oc12
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, and 1 hydroxyl group.",CCOc1cccc(C(O)C[NH3+])c1OC
AddComponent,Modify the molecule Cc1cc(Cl)ccc1NC(=O)CN1C(=O)COc2ccc(-c3csc(Cc4ccccc4)n3)cc21 by adding a hydroxyl.,Cc1cc(Cl)ccc1NC(=O)CN1C(=O)COc2cc(O)c(-c3csc(Cc4ccccc4)n3)cc21
SubComponent,Modify the molecule halo by substituting a COc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(Br)c(OCc4cccc5ccccc45)c(OC)c3)C2=O)cc1 with a carboxyl.,COc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(OC)c(OCc4cccc5ccccc45)c(C(=O)[OH])c3)C2=O)cc1
DelComponent,Remove a benzene ring from the molecule Cc1noc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1.,Cc1noc(CC[NH2+]Cc2ccc([N+](=O)[O-])s2)n1
LogP,Please optimize the molecule Cc1cc2cc[nH]c2cc1NC(=O)NC1CC12CCOCC2 to have a lower LogP value.,O=CCCc1cc2cc[nH]c2cc1NC(=O)NC1CC12CCOCC2
MR,Optimize the molecule COC(=O)c1ccc(Cl)c2scc(C=O)c12 to have a higher MR value.,COC(=O)c1ccc(S)c2scc(C=O)c12
QED,Modify the molecule CC(C(=O)Nc1ccc(Br)cc1Br)[NH+]1CCOc2ccccc2C1 to have a higher QED value.,CC(C(=O)N(Br)Br)[NH+]1CCOc2ccccc2C1
AtomNum,"The molecule consists of 18 carbon atoms, 6 oxygen atoms, and 1 silicon atom.",C[Si](C)(C)CCC1(O)C(O)OC2COC(c3ccccc3)OC2C1O
BondNum,"There is a molecule consisting of 9 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",Cc1cccc(CN2C(=O)CCc3cc(I)ccc32)c1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 hydroxyl group, 1 amide group, and 2 halo groups.",CCCCCCCCCCCCOCC12OC(CNC(=O)Cc3cc(F)ccc3F)C(O)C1OC(C)(C)O2
AddComponent,Modify the molecule Cc1c(Cl)cccc1N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C([NH+](C)CCO)C1=O by adding a amine.,Cc1c(Cl)cccc1N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C([NH+](C)CC(N)O)C1=O
SubComponent,Please substitute a halo in the molecule Cc1ccc(F)c(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)c1 with a hydroxyl.,Cc1ccc(O)c(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)c1
DelComponent,Remove a CC=CCSC(Cl)=C(Cl)Cl from the molecule halo.,CC=CCSC(Cl)=CCl
LogP,Modify the molecule CC(C)CCC(=O)c1c[nH]c2ccc(F)cc12 to have a lower LogP value.,CC(C)CCC(=O)c1c[nH]c2ccccc12
MR,Please modify the molecule CC(C)C(CNC(=O)C1CCCO1)[NH+]1CCOCC1 to increase its MR value.,CC(C)C(CNC(=O)C1CCCO1)(c1ccccc1)[NH+]1CCOCC1
QED,Please modify the molecule C=CC1(OC(=O)Nc2cc(Cl)ccc2Cl)CCCC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 to increase its QED value.,C=C(N)C1(OC(=O)Nc2cc(Cl)ccc2Cl)CCCC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3
AtomNum,"The molecule is composed of 10 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",CC(C)Nc1c(N)cnn1CC(O)C(C)O
BondNum,"The molecule is composed of 10 single bonds, 4 double bonds, 8 rotatable bonds, and 17 aromatic bonds.",COc1cc(C=NNS(=O)(=O)c2ccc3ccccc3c2)ccc1OCC(N)=O
FunctionalGroup,"Please generate a molecule consisting 1 amide group, 2 amine groups, 1 thioether group, and 1 sulfide group.",CCC1(CC)CSC(=[NH+]C(C)C(=O)N(C)C)N1
AddComponent,Please add a hydroxyl to the molecule [NH3+]C(CC(=O)[O-])c1ccc(C2C[NH+]3CCC2CC3)cc1.,[NH3+]C(CC(=O)[O-])c1ccc(C2C[NH+]3CCC2CC3)c(O)c1
SubComponent,Modify the molecule halo by substituting a C=C(C)C(=O)NCc1cccc(Br)c1 with a nitro.,C=C(C)C(=O)NCc1cccc(NO)c1
DelComponent,Please remove a amine from the molecule O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])c(C=Nc3ccc(Nc4nc(O)nc(Nc5ccc(N=Nc6ccc7c(S(=O)(=O)[O-])cccc7c6S(=O)(=O)[O-])cc5)n4)cc3)ccc12.,O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])c(C=Nc3ccc(Nc4nc(O)nc(-c5ccc(N=Nc6ccc7c(S(=O)(=O)[O-])cccc7c6S(=O)(=O)[O-])cc5)n4)cc3)ccc12
LogP,Optimize the molecule CCC(C)n1ccc(CC(O)c2ccc(F)cc2Br)n1 to have a lower LogP value.,CCC(C)n1ccc(CC(O)c2ccccc2Br)n1
MR,Please modify the molecule CCOP(=O)(Cn1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(C)COC)c2)n1)OCC to increase its MR value.,CCOP(=O)(Cn1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(C)(COC)c3ccccc3)c2)n1)OCC
QED,Please optimize the molecule C=CCN(C(=S)Nc1ccc(Cl)cc1C)C1CCCCC1 to have a lower QED value.,C=CCN(C(=S)N(C)Cl)C1CCCCC1
AtomNum,"Please generate a molecule consisting 19 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CCNC(=NCC1([NH+](C)C)CCOCC1)NCC[NH+](C(C)C)C(C)C
BondNum,"The molecule contains 12 single bonds, and 4 rotatable bonds.",CCSC1COCC(SCC)O1
FunctionalGroup,"There is a molecule consisting of 1 hydroxyl group, and 1 ester group.",CC(C)(C)OC(=O)NC(CO)C(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]
AddComponent,Add a hydroxyl to the molecule CCCCOc1c(C(NC(=O)[O-])C(C)(C)C)n(CC(C)C)c(=O)c2ccc(-c3ccccn3)cc12.,CCCCOc1c(C(NC(=O)[O-])C(C)(C)C)n(CC(C)C)c(=O)c2ccc(-c3ccccn3)c(O)c12
SubComponent,Substitute a CCOC(=O)C[NH+]1C2CCCC1CC(NC(=O)c1cc(Cl)c(NC(C)=O)cc1OCC)C2 in the molecule halo with a hydroxyl.,CCOC(=O)C[NH+]1C2CCCC1CC(NC(=O)c1cc(O)c(NC(C)=O)cc1OCC)C2
DelComponent,Remove a C[NH+]1CC(O)(C2CCCC2)C1 from the molecule hydroxyl.,C[NH+]1CC(C2CCCC2)C1
LogP,Please modify the molecule CCOP(=O)(CCCCOCn1nnc(C(N)=O)c1N)OCC to increase its LogP value.,CCOP(=O)(CCCCOCn1cc(C(N)=O)nn1)OCC
MR,Modify the molecule c1ccc(-c2cc(C[NH+]3CCOC(Cn4cncn4)C3)on2)cc1 to decrease its MR value.,c1cc(C[NH+]2CCOC(Cn3cncn3)C2)on1
QED,Please optimize the molecule CCCCCCC(C)OCCCC(=O)c1ccccc1 to have a lower QED value.,CCCCCCC(C)OCCCC=O
AtomNum,"There is a molecule composed of 18 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, and 1 chlorine atom.",CC[NH+]1CCN(C(=O)c2cnc(NCc3ccccc3Cl)nc2)CC1
BondNum,"The molecule has 10 single bonds, 1 double bond, 6 rotatable bonds, and 11 aromatic bonds.",CCCn1cc(C(=O)OCC)[nH+]c1Cc1ccc(Br)cc1
FunctionalGroup,The molecule consists of and 1 amide group.,CC1CC(CC(=O)NC2CC[NH2+]CC2C)CC(C)(C)C1
AddComponent,Add a amine to the molecule CCCN(CC)S(=O)(=O)c1csc(C[NH2+]C2CC2)c1.,CCCN(CC)S(=O)(=O)c1csc(C[NH2+]C2CC2N)c1
SubComponent,Substitute a halo in the molecule Nc1cc(C(=O)NC(CC2CCCCC2)C(=O)NC(COCc2ccccc2)C(=O)C(=O)NCC(=O)[O-])ccc1Cl with a nitrile.,N#Cc1ccc(C(=O)NC(CC2CCCCC2)C(=O)NC(COCc2ccccc2)C(=O)C(=O)NCC(=O)[O-])cc1N
DelComponent,Remove a CC1C(C(=O)[O-])CC[NH+]1C1CCCCC1c1ccccc1 from the molecule benzene ring.,CC1C(C(=O)[O-])CC[NH+]1C1CCCCC1
LogP,Please optimize the molecule C[NH2+]C(Cc1ccc(Br)cc1)C1=CCCCCC1 to have a higher LogP value.,Brc1ccc(CC([NH2+]Cc2ccccc2)C2=CCCCCC2)cc1
MR,Modify the molecule CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(C)C)c(C)c3)C2c2ccccc2OC)c1 to decrease its MR value.,CCCCOc1cccc(C2=CC(=O)N(c3ccc(C(C)C)c(C)c3)C2c2ccccc2OC)c1
QED,Modify the molecule NCC(F)(F)CNC(=O)CCC(F)(F)F to decrease its QED value.,N#CC(F)(CN)CNC(=O)CCC(F)(F)F
AtomNum,"The molecule is composed of 23 carbon atoms, 1 oxygen atom, and 5 nitrogen atoms.",CC[NH+]1CCCC1CNC(NCc1cccc(NC(=O)C2CCCCC2)c1)=[NH+]C
BondNum,"There is a molecule with 10 single bonds, 2 double bonds, 3 rotatable bonds, and 10 aromatic bonds.",O=C(c1cccs1)c1ccc2n1CCCCC2C(=O)[O-]
FunctionalGroup,"There is a molecule with 2 benzene ring groups, and 3 amide groups.",C=CCC1C(=O)N(CC(=O)N(c2ccccc2)C(C)C)c2ccccc2N(c2ccccc2)C1=O
AddComponent,Modify the molecule CC(C(=O)NN)c1ccc(CN(C)CC(F)(F)F)cc1 by adding a benzene ring.,CC(C(=O)NN)c1ccc(CN(C)CC(F)(F)F)cc1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a CC([NH+]=C(NC(=O)c1ccc(F)c(F)c1)Nc1cccc(=O)[nH]1)C1CCCCC1 with a carboxyl.,CC([NH+]=C(NC(=O)c1ccc(C(=O)[OH])c(F)c1)Nc1cccc(=O)[nH]1)C1CCCCC1
DelComponent,Please remove a CC(C)NC(=O)NS(=O)(=O)c1ccc(CSc2[nH+]cc(C(C)(C)c3ccc(F)c(F)c3)n2-c2ccc(F)cc2)c(Cl)c1 from the molecule benzene ring.,CC(C)NC(=O)NS(=O)(=O)c1ccc(CSc2[nH+]cc(C(C)(C)c3ccc(F)c(F)c3)n2F)c(Cl)c1
LogP,Modify the molecule CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)c[nH]c13)CCC(=O)N2 to have a lower LogP value.,CCCOc1cc2c(c3c(=O)c(OC)c[nH]c13)CCC(=O)N2
MR,Optimize the molecule O=C(OC1C=Cc2c(c(Br)c3ccc4cccc5ccc2c3c45)C1OC(=O)c1ccccc1)c1ccccc1 to have a lower MR value.,O=C(OC1C=Cc2c(c(O)c3ccc4cccc5ccc2c3c45)C1OC(=O)c1ccccc1)c1ccccc1
QED,Please modify the molecule Cc1ccc(CSCC([NH3+])C(=O)NC(C(=O)NC(CSCc2ccc(C)cc2)C(=O)NC(CSCc2ccc(C)cc2)C(=O)NC(C)C(=O)OCc2ccccc2)C(C)O)cc1 to increase its QED value.,Cc1ccc(CSCC([NH3+])C(=O)NC(C(=O)NC(CSCc2ccc(C)cc2)C(=O)NC(CSCc2ccc(C)cc2)C(=O)NC(C)C(=O)OCc2ccccc2)C(C)C#N)cc1
AtomNum,"The molecule has 16 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",CC[NH2+]C(Cc1nc(-c2ccncc2CC)no1)C(C)C
BondNum,"There is a molecule composed of 21 single bonds, 1 double bond, 16 rotatable bonds, and 6 aromatic bonds.",CCCCCCCCCCCCOC(=O)CCc1cc(CC)c(O)c(CC)c1
FunctionalGroup,The molecule has and 2 halo groups.,CC1CCC(C(Br)c2ccc(F)c3ccccc23)CC1
AddComponent,Add a benzene ring to the molecule C[NH+](C)CCCNc1nc2cc(C#N)ccc2c2sccc12.,C[NH+](C)CCCNc1nc2cc(C#N)ccc2c2scc(-c3ccccc3)c12
SubComponent,Please substitute a halo in the molecule COC(=O)C(c1ccc(F)c(C)c1)[NH+]1CCCC1 with a thiol.,COC(=O)C(c1ccc(S)c(C)c1)[NH+]1CCCC1
DelComponent,Modify the molecule CC(C)Oc1cccc(C[NH2+]C(C)(C)C(N)=O)c1 by removing a benzene ring.,CC(C)OC[NH2+]C(C)(C)C(N)=O
LogP,Please modify the molecule COC(=O)CC1CN(C(=O)c2ccc(C)c(Br)c2)CCO1 to decrease its LogP value.,Cc1ccc(C(=O)N2CCOC(CC(=O)OCO)C2)cc1Br
MR,Optimize the molecule Cc1ccc(Nc2ncnc3sc(C)c(-c4ccccc4)c23)cc1 to have a lower MR value.,Cc1ccc(Nc2ncnc3sc(C)cc23)cc1
QED,Modify the molecule CC(NC(=O)C(C)(F)F)C(Oc1ccc2c(cnn2-c2cccc(C(=O)NCCN3CCNC3=O)c2)c1)c1ccccc1 to have a lower QED value.,CC(NC(=O)C(C)(F)F)C(Oc1ccc2c(cnn2-c2cccc(C(=O)NCCN3CCNC3=O)c2)c1)c1ccc(-c2ccccc2)cc1
AtomNum,"The molecule has 20 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 chlorine atoms.",CCCNC(=O)Nc1c(C)cnc2c(NC(=O)c3c(Cl)ccnc3Cl)cccc12
BondNum,"Please generate a molecule with 9 single bonds, 3 double bonds, 6 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2)cc1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 amide group, and 1 amine group.",CCCCOc1ccccc1NCC(=O)Nc1cccc(OCCOC)c1
AddComponent,Modify the molecule CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C by adding a hydroxyl.,CCc1nc2cccc(O)c2c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C
SubComponent,Substitute a Nc1c(F)cc(F)cc1NC1CC2CCC1O2 in the molecule halo with a hydroxyl.,Nc1c(O)cc(F)cc1NC1CC2CCC1O2
DelComponent,Remove a CCc1cnc(CNC(NC2CCCCC2)=[NH+]C)s1 from the molecule amine.,CCc1cnc(CC(NC2CCCCC2)=[NH+]C)s1
LogP,Optimize the molecule CCCOc1ccc(C=NO)cc1Br to have a higher LogP value.,CCCOc1ccc(C=N)cc1Br
MR,Optimize the molecule C=Cc1cnc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)c(Cl)c1 to have a higher MR value.,C=Cc1cnc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2C(=O)O)c(Cl)c1
QED,Please optimize the molecule NC(=O)c1noc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)n1 to have a lower QED value.,NC(=O)c1noc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2C(=O)O)n1
AtomNum,"There is a molecule composed of 13 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 fluorine atom.",Cc1cc(C(=O)[O-])c(NC(=O)c2ccc(F)cc2O)s1
BondNum,"The molecule consists of 10 single bonds, 3 double bonds, 5 rotatable bonds, and 12 aromatic bonds.",NP(N)(=O)Nc1ccc(C=Cc2cccc(O)c2P(N)(N)=O)cc1
FunctionalGroup,Please generate a molecule consisting and 1 amide group.,Cc1ccc2oc(C(=O)NCC(C)(C)C(=O)[O-])cc2c1
AddComponent,Please add a benzene ring to the molecule O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCC1CCCO1.,O=C(CCC(c1ccccc1)N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCC1CCCO1
SubComponent,Modify the molecule C[NH+]1CCN(c2ccc(C(=O)Nc3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4ccc(Cc5cc(F)cc(F)c5)cc34)c(N)c2)CC1 by substituting a halo with a nitro.,C[NH+]1CCN(c2ccc(C(=O)Nc3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4ccc(Cc5cc(F)cc(NO)c5)cc34)c(N)c2)CC1
DelComponent,Remove a amide from the molecule CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C)c(-n2nnnc2C)c1.,CCc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C)c(-n2nnnc2C)c1
LogP,Please optimize the molecule [NH3+]Cc1ccc(N2CCCC3CCCC32)cc1C(F)(F)F to have a lower LogP value.,[NH3+]Cc1ccc(N2CCCC3(O)CCCC23)cc1C(F)(F)F
MR,Modify the molecule C=NC(=C)c1ccc(C)c(F)c1F to increase its MR value.,C=NC(=C)c1ccc(C)c(S)c1F
QED,Modify the molecule Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1 to have a lower QED value.,Cc1ccc(S(=O)(=O)Nc2ccc(NO)cc2)c(C)c1
AtomNum,"The molecule is composed of 12 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, 2 sulfur atoms, and 3 fluorine atoms.",O=S(=O)([O-])N1CC(S)CC1COCc1cc(F)c(F)cc1F
BondNum,"Please generate a molecule with 16 single bonds, 1 double bond, 6 rotatable bonds, and 5 aromatic bonds.",CCc1cnc(CCNC(=O)N(C)CC2CCCC2O)s1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ester group, and 1 sulfide group.",C#CCOc1ccc(C=c2sc3n(c2=O)C(c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1
AddComponent,Add a hydroxyl to the molecule CC1CCCN(C(=O)CCC(=O)Nc2ccc(F)c(F)c2F)C1.,CC1CCCN(C(=O)C(O)CC(=O)Nc2ccc(F)c(F)c2F)C1
SubComponent,Substitute a hydroxyl in the molecule O=NN(CCCl)C(=O)N(CCc1ccccc1)C1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O with a carboxyl.,O=NN(CCCl)C(=O)N(CCc1ccccc1)C1OC(CC(=O)[OH])C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
DelComponent,Modify the molecule amine by removing a CCCCCCCCCCCCNc1nc(NCCN2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(CCNc2nc(NCCCCCCCCCCCC)nc(N(CCCCCCCC)CCCCCCCC)n2)C6=O)nc(N(CCCCCCCC)CCCCCCCC)n1.,CCCCCCCCCCCCNc1nc(NCCN2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(CCNc2nc(CCCCCCCCCCCC)nc(N(CCCCCCCC)CCCCCCCC)n2)C6=O)nc(N(CCCCCCCC)CCCCCCCC)n1
LogP,Please modify the molecule CC(CN1CCCC1=O)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 to decrease its LogP value.,CC(CN1CCCC1=O)NC(=O)c1cnn(-c2ccccc2NO)c1-n1cccc1
MR,Modify the molecule CCCCCCCCCCS(=O)CCC(=O)NC(CO)(CO)CO to have a higher MR value.,CCCCCCCCCCS(=O)CCC(=O)NC(CO)(CO)CC#N
QED,Please optimize the molecule O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NC1CC2OCCCC12 to have a higher QED value.,O=C(CC1C(=O)C2C=CC1C2)NC1CC2OCCCC12
AtomNum,"There is a molecule with 16 carbon atoms, 5 oxygen atoms, and 1 sulfur atom.",CC(C)OC(=O)CS(=O)Cc1ccc(C(=O)OC(C)C)cc1
BondNum,"The molecule contains 14 single bonds, 4 rotatable bonds, and 18 aromatic bonds.",CSc1nc(-c2ccc(F)cc2)cc(N2CCN(c3ncccc3Cl)CC2C)n1
FunctionalGroup,"The molecule consists of 1 benzene ring group, and 2 hydroxyl groups.",CCc1cccnc1C[NH2+]Cc1ccc(O)cc1O
AddComponent,Modify the molecule CCC[NH2+]C(CCSC)c1ccc(C)s1 by adding a aldehyde.,CCC[NH2+]C(c1ccc(C)s1)C(CC=O)CSC
SubComponent,Please substitute a [NH3+]C1(CNc2cccc(-c3cc(NC4CCC([NH2+]CCCO)CC4)ncc3Cl)n2)CCOCC1 in the molecule halo with a thiol.,[NH3+]C1(CNc2cccc(-c3cc(NC4CCC([NH2+]CCCO)CC4)ncc3S)n2)CCOCC1
DelComponent,Please remove a CC[NH+]=C(N)NC1CCCC1 from the molecule amine.,CCC(N)NC1CCCC1
LogP,Please modify the molecule CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 to decrease its LogP value.,CCOC(=O)CN(F)S(=O)(=O)c1ccc(OC)c(OC)c1
MR,Please modify the molecule CCOc1nc2nc3c(c(Cl)n2n1)COCC3 to increase its MR value.,CC(=O)c1c2c(nc3nc(OCC)nn13)CCOC2
QED,Please modify the molecule COCC(C)NC(=O)Nc1cc(-c2ccccc2C)nn1CCO to decrease its QED value.,COCC(C)NC(=O)Nc1cc(-c2ccccc2C)nn1CCNO
AtomNum,"Please generate a molecule composed of 22 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",Cc1cc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc(C)c1Cl
BondNum,"The molecule consists of 17 single bonds, 2 double bonds, 7 rotatable bonds, and 18 aromatic bonds.",Cn1ccc(-c2ccc(CCN3CCC(CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 hydroxyl group, 1 amine group, and 1 sulfone group.",Cc1ccc(S(=O)(=O)NC(C)C2CCOCC2)cc1CO
AddComponent,Add a hydroxyl to the molecule CCCCN(C)C(=O)c1cnc(N2CCCCC2CC)nc1.,CCCCN(C)C(=O)c1cnc(N2CCCCC2(O)CC)nc1
SubComponent,Substitute a halo in the molecule CCC(CC)(Nc1ccc(Cl)cc1)C(=O)OC with a hydroxyl.,CCC(CC)(Nc1ccc(O)cc1)C(=O)OC
DelComponent,Remove a benzene ring from the molecule COc1ccc(CC(=O)N2C3CC[NH2+]CC2CC3)cc1.,COCC(=O)N1C2CC[NH2+]CC1CC2
LogP,Please optimize the molecule COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(C)cc2)cc1 to have a lower LogP value.,COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccc(C)cc2)cc1
MR,Please modify the molecule COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NC4CCCCC4)c(=O)c23)CC1 to increase its MR value.,COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NC4CCCCC4S)c(=O)c23)CC1
QED,Please modify the molecule N#Cc1cccnc1SCC(=O)Nc1cc(F)ccc1F to decrease its QED value.,N#Cc1cccnc1SCC(=O)Nc1ccccc1F
AtomNum,"Please generate a molecule composed of 11 carbon atoms, and 1 oxygen atom.",CC(=O)C1CCCC1C(C)(C)C
BondNum,"Please generate a molecule composed of 12 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(Oc2ccc(C(=[NH+]O)N3CCSCC3)cn2)cc1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, and 1 halo group.",COc1ccc(Cl)cc1NC(=O)Cn1ccn(-c2ccccc2C)c(=O)c1=O
AddComponent,Add a hydroxyl to the molecule COc1ccc(N=CC2C(=O)Nc3ccc(Cl)cc32)cc1O.,COc1ccc(N=C(O)C2C(=O)Nc3ccc(Cl)cc32)cc1O
SubComponent,Modify the molecule O=C(c1cnn(-c2ccccc2)n1)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1 by substituting a halo with a thiol.,O=C(c1cnn(-c2ccccc2)n1)N1CCCC(Oc2nccc(C(F)(F)S)n2)C1
DelComponent,Remove a halo from the molecule Cc1nc(CCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cs1.,Cc1nc(CCNC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)cs1
LogP,Optimize the molecule O=C(c1cccc(Cn2ccnc2)c1)N1CCCC(c2nccnc2Oc2ccccc2F)C1 to have a lower LogP value.,ONc1ccccc1Oc1nccnc1C1CCCN(C(=O)c2cccc(Cn3ccnc3)c2)C1
MR,Please optimize the molecule CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3nccs3)c21 to have a lower MR value.,CC(=O)N1CCc2cc(C#N)cc(S(=O)(=O)Nc3nccs3)c21
QED,Please optimize the molecule CC(=O)OCC1OC(CC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)C(NC(=O)OCC(Cl)(Cl)Cl)C(OC(C)=O)C1OC(C)=O to have a higher QED value.,CC(=O)OCC1OC(CC(C)(C)[Si](c2ccccc2)c2ccccc2)C(NC(=O)OCC(Cl)(Cl)Cl)C(OC(C)=O)C1OC(C)=O
AtomNum,"Please generate a molecule consisting 24 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 2 sulfur atoms.",O=C1C(=O)N(c2nc3ccc([N+](=O)[O-])cc3s2)C(c2cccs2)C1=C([O-])c1c[nH]c2ccccc12
BondNum,"The molecule has 12 single bonds, 3 double bonds, 7 rotatable bonds, and 11 aromatic bonds.",NC(=O)CNC(=O)C([NH3+])Cc1cn(C(=O)OCc2ccccc2)cn1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ketone group, and 1 amide group.",COc1cc(C=CC(=O)N2CCC3(CC2)CC(=O)c2cc(C)cc(C)c2O3)cc(OC)c1OC
AddComponent,Add a hydroxyl to the molecule CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCCC1.,CC(C)C(NC(=O)c1ccccc1O)C(=O)N1CCCC1
SubComponent,Substitute a halo in the molecule CC(=O)Nc1ccc(NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCC4)c3)CC2)cc1C with a aldehyde.,CC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(NC(C)=O)c(C)c3)CC2)cc1C(=O)NC1CCCC1
DelComponent,Remove a halo from the molecule CCC(CBr)(CCSC(F)(F)F)c1ccccc1.,CCC(CBr)(CCSC(F)F)c1ccccc1
LogP,Please modify the molecule CC[NH2+]Cc1cccn1-c1ccc(C)c(Cl)c1 to decrease its LogP value.,CC[NH2+]Cc1cccn1-c1ccc(C)cc1
MR,Optimize the molecule CC(=CCl)CSc1ccc(CC(=O)[O-])cc1 to have a lower MR value.,CC(=CC#N)CSc1ccc(CC(=O)[O-])cc1
QED,Optimize the molecule CC1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1 to have a lower QED value.,CC1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(C(=O)[OH])cc1
AtomNum,"The molecule has 16 carbon atoms, 1 oxygen atom, and 3 nitrogen atoms.",CC(CC[NH3+])CCC(=O)NCCN(C)c1ccccc1
BondNum,"There is a molecule composed of 15 single bonds, 3 double bonds, and 2 rotatable bonds.",O=C1CN(C(=O)NC2(C(=O)[O-])CC2)CCCN1
FunctionalGroup,"The molecule is composed of 1 benzene ring group, and 2 amide groups.",O=C(C1CCOC1)N1CCCC2(CCN(c3ccccc3)C2=O)C1
AddComponent,Add a benzene ring to the molecule [NH3+]CC1(c2cccc(Cl)c2)CCC(N(CCc2ccccc2)C(=O)c2ccnnc2)CC1.,[NH3+]CC1(c2cccc(Cl)c2)CCC(N(CCc2ccc(-c3ccccc3)cc2)C(=O)c2ccnnc2)CC1
SubComponent,Substitute a halo in the molecule O=S(=O)(CCCCl)Nc1cccc(-c2nccs2)c1 with a nitro.,ONCCCS(=O)(=O)Nc1cccc(-c2nccs2)c1
DelComponent,Please remove a amine from the molecule CC(O)CCC(=O)N1C(=O)c2cccc(N)c2C1=O.,CC(O)CCC(=O)N1C(=O)c2ccccc2C1=O
LogP,Please optimize the molecule CC(C)OC(=O)NC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1 to have a lower LogP value.,CC(=O)C(F)(F)Oc1cccc(C(Cc2ccccc2)(NC(=O)OC(C)C)c2cccc(OC(F)(F)F)c2)c1
MR,Modify the molecule Cc1nccc(CNC(=O)C2(C[NH3+])CCCC2)n1 to increase its MR value.,Cc1nc(CNC(=O)C2(C[NH3+])CCCC2)cc(-c2ccccc2)n1
QED,Optimize the molecule O=C([O-])CCC(NC(=O)C(Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-] to have a lower QED value.,O=CNC(Cc1ccc2c(c1)OCO2)C(=O)NC(CCC(=O)[O-])C(=O)[O-]
AtomNum,"The molecule is composed of 24 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 chlorine atom.",CCCCN(Cc1ccccc1)C(=O)N(c1ccccc1)c1cccc(Cl)c1
BondNum,"There is a molecule consisting of 28 single bonds, 2 double bonds, 2 triple bonds, 8 rotatable bonds, and 22 aromatic bonds.",COC(=O)NC(C(=O)N1CCCC1c1[nH]c(-c2ccc(C#CC#Cc3c[nH+]c(C4CCCN4)[nH]3)c(N(C)c3ccccc3)c2)c[nH+]1)C(C)C
FunctionalGroup,"There is a molecule with 3 benzene ring groups, and 3 halo groups.",Cc1cc(C)c(C(=O)P(=O)(C(=O)c2ccccc2C(F)(F)F)c2ccccc2)c(C)c1
AddComponent,Modify the molecule COCCn1cc(CCNC(=O)C2CCCC2)c2cccnc21 by adding a aldehyde.,COCCn1cc(CCNC(=O)C2CCC(CC=O)C2)c2cccnc21
SubComponent,Please substitute a CCOP(=O)(OCC)C(CC=NOCc1ccccc1)c1ccc(Cl)cc1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(C(CC=NOCc2ccccc2)P(=O)(OCC)OCC)cc1
DelComponent,Please remove a amide from the molecule C=CCNC(=O)CCc1sc(C)nc1-c1cccs1.,C=CCCc1sc(C)nc1-c1cccs1
LogP,Optimize the molecule O=C(Nc1ncc(Br)s1)c1ccc(=O)[nH]c1 to have a lower LogP value.,O=C(Nc1ncc(C(=O)[OH])s1)c1ccc(=O)[nH]c1
MR,Optimize the molecule CC(Cn1ccnc1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 to have a lower MR value.,CC(Cn1ccnc1)C(=O)c1ccc(OF)cc1
QED,Modify the molecule CC([NH3+])C1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] to have a higher QED value.,CC([NH3+])C1CCCCN1C(=O)CCc1ccccc1[N+](=O)[O-]
AtomNum,"The molecule is composed of 19 carbon atoms, 3 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",CN(C)c1ccc(C=C2SC(=S)[NH+]=C2NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1
BondNum,"The molecule contains 14 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C1Cc2oc(=O)cc(CCCC3CCCC3)c2C(=O)N1
FunctionalGroup,"Please generate a molecule with 2 benzene ring groups, and 2 halo groups.",Cc1ccc(Oc2c(C)cc(Cl)cc2C)c(CCl)c1
AddComponent,Add a hydroxyl to the molecule CCC1CCC([NH+](C)CC(O)C[NH2+]C(C)(C)C)CC1.,CCC1CCC([NH+](C)CC(O)C[NH2+]C(C)(C)C)CC1O
SubComponent,Modify the molecule Cc1cccc(NC(=O)CSCC(=O)NCCO)c1 by substituting a hydroxyl with a carboxyl.,Cc1cccc(NC(=O)CSCC(=O)NCCC(=O)[OH])c1
DelComponent,Modify the molecule benzene ring by removing a [NH3+]C1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)cc1.,[NH3+]C1CC2CCC(C1)N2S(=O)(=O)Br
LogP,Please optimize the molecule CC(C)(C)NC(=O)C(OC(=O)c1nsc(Cl)c1Cl)c1ccccc1F to have a lower LogP value.,CC(C)(C)NC(=O)C(OC(=O)c1nsc(C(=O)[OH])c1Cl)c1ccccc1F
MR,Please modify the molecule COc1ccc(N=Cc2cc(C)cc(C)c2Nc2c(C)ccc3cccc(C)c23)cc1 to increase its MR value.,COc1ccc(N=Cc2cc(C)cc(C)c2Nc2c(C)ccc3ccc(C#N)c(C)c23)cc1
QED,Optimize the molecule Cc1ccccc1N1CC[NH+](CC(Cl)c2ccc(N3CCCNC3=O)cc2)CC1 to have a lower QED value.,Cc1ccc(-c2ccccc2)cc1N1CC[NH+](CC(Cl)c2ccc(N3CCCNC3=O)cc2)CC1
AtomNum,"The molecule is composed of 19 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",CC[NH+](CC(=O)[O-])C1CC(NC(=O)N(CCCO)Cc2ccccc2)C1
BondNum,"The molecule contains 18 single bonds, 4 double bonds, 6 rotatable bonds, and 12 aromatic bonds.",O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)OCCO2
FunctionalGroup,"The molecule has 1 benzene ring group, and 3 amine groups.",NC(NC1CCCc2ccccc21)=[NH+]Cc1ccccc1
AddComponent,Please add a hydroxyl to the molecule COc1ccccc1C[NH+](C)C(C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C.,Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)[NH+](C)Cc1ccccc1OCO
SubComponent,Please substitute a CC(C)NC(=O)c1cccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(N)=O)ccc3Cl)CC2)c1 in the molecule halo with a nitrile.,CC(C)NC(=O)c1cccc(NC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(N)=O)ccc3C#N)CC2)c1
DelComponent,Please remove a hydroxyl from the molecule CCCCc1c(O)c(OC(=O)[O-])c(OC)c(CCCC)c1CCCC.,CCCCc1cc(OC(=O)[O-])c(OC)c(CCCC)c1CCCC
LogP,Optimize the molecule CCC=CC=CC=CCCCCCCCCCC(=O)OC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CC=CC=CCC to have a lower LogP value.,CCC=CC=CC=CCCCCCCCCCC(=O)OC(COC(=O)CCC=CCC=CCC=CCC(N)=CCC=CCC=CCC)COC(=O)CCCCCCCC=CC=CC=CCC
MR,Please optimize the molecule O=C(COC(=O)c1ccccc1O)Nc1cccnc1Cl to have a lower MR value.,O=C(COC(=O)c1ccccc1O)Nc1cccnc1
QED,Optimize the molecule CC[NH+](CC)CC(O)C[NH2+]C(C)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(C(=O)N4CCOCC4)cc32)c1-c1ccc(F)cc1 to have a lower QED value.,CC[NH+](CC)CC(O)C[NH2+]C(C)c1c(C)[nH]c(C(N)=C2C(=O)Nc3ccc(C(=O)N4CCOCC4)cc32)c1-c1ccc(F)cc1
AtomNum,"There is a molecule composed of 19 carbon atoms, 7 oxygen atoms, 2 nitrogen atoms, 2 sulfur atoms, and 1 fluorine atom.",CCN(CC)S(=O)(=O)c1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1
BondNum,"Please generate a molecule with 35 single bonds, 5 double bonds, 10 rotatable bonds, and 18 aromatic bonds.",Cc1cc(C(=O)Nc2ccccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cc(Cl)ccc2C(=O)NC2CCCCC2)CC1
FunctionalGroup,"There is a molecule composed of 5 benzene ring groups, 1 ester group, 1 amide group, 5 halo groups, and 1 sulfone group.",O=C(OCc1ccccc1)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)C2CCCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1OCc1ccccc1
AddComponent,Modify the molecule O=C(Cc1cccnc1)N1CC[NH+](Cc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)CC1 by adding a hydroxyl.,O=C(Cc1cccnc1)N1CC[NH+](Cc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)C(O)C1
SubComponent,Modify the molecule hydroxyl by substituting a CC(C)(O)c1ccccc1S(=O)c1ccccc1 with a nitrile.,CC(C)(C#N)c1ccccc1S(=O)c1ccccc1
DelComponent,Remove a halo from the molecule Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1.,Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1
LogP,Modify the molecule Cc1c(S(=O)(=O)Nc2cccnc2C(=O)[O-])sc2ccc(C(C)C)cc12 to increase its LogP value.,Cc1c(S(=O)(=O)c2cccnc2C(=O)[O-])sc2ccc(C(C)C)cc12
MR,Optimize the molecule O=C(Cn1cnc2sccc2c1=O)N1CCC(CO)CC1 to have a higher MR value.,O=C(O)c1csc2ncn(CC(=O)N3CCC(CO)CC3)c(=O)c12
QED,Please modify the molecule Cc1nn(C)c(C)c1CC([NH3+])Cc1ccccc1 to decrease its QED value.,Cc1nn(C)c(C)c1CC([NH3+])Cc1ccc(-c2ccccc2)cc1
AtomNum,"The molecule contains 23 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 chlorine atom.",O=C(NCCC(CCO)c1ccccc1)C1(c2ccc(Cl)cc2)CCCC1
BondNum,"Please generate a molecule consisting 17 single bonds, 2 double bonds, 8 rotatable bonds, and 6 aromatic bonds.",COc1ccc([N+](=O)[O-])c(OC(=O)NCCCC(OC)C(C)(C)C)c1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, and 4 halo groups.",O=C(NOCC(F)(F)F)c1cccc(Br)c1
AddComponent,Please add a hydroxyl to the molecule O=C(CCCn1cccc1)NCCNc1ncccn1.,O=C(CCCn1cccc1)NCCNc1nccc(O)n1
SubComponent,Substitute a hydroxyl in the molecule CCNC(=O)C(C)[NH+]1CCC(O)C1 with a thiol.,CCNC(=O)C(C)[NH+]1CCC(S)C1
DelComponent,Remove a COC(=O)[N+]1(C(=O)C(Oc2cccc(C#N)c2)C2CCCCC2)CC(Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)CC1C from the molecule nitrile.,COC(=O)[N+]1(C(=O)C(Oc2ccccc2)C2CCCCC2)CC(Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)CC1C
LogP,Modify the molecule CC(C)(C)OC(=O)NCC=CC[NH2+]Cc1ccc(O)cc1O to have a lower LogP value.,CC(C)(C)OC(=O)NCC=CC[NH2+]COO
MR,Please modify the molecule CC[NH+](CCCF)CCC(=O)[O-] to increase its MR value.,CC(O)[NH+](CCCF)CCC(=O)[O-]
QED,Please optimize the molecule CCC(OC(=O)COc1cccc(N)c1)C(N)=O to have a higher QED value.,CCOC(=O)COc1cccc(N)c1
AtomNum,"The molecule consists of 12 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COCC(CN1C(=O)C[NH2+]C1c1cccs1)OC
BondNum,"The molecule has 20 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",C[NH+]=C(NCC1CCC[NH+](C)C1)N1CCN(c2ccc(F)cc2)CC1
FunctionalGroup,"The molecule contains 2 benzene ring groups, 2 amine groups, and 1 halo group.",Cc1ccc(Cl)c(Nc2cc(N)ccc2C(=O)[O-])c1
AddComponent,Modify the molecule N#CC1(c2ccc(-c3cn4c(C(F)(F)F)nnc4cn3)cc2)CC1 by adding a carboxyl.,N#CC1(c2ccc(-c3cn4c(C(F)(F)F)nnc4cn3)cc2)CC1C(=O)O
SubComponent,Please substitute a halo in the molecule O=C(Nc1ccc(Oc2ccccc2Cl)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 with a aldehyde.,CC(=O)c1ccccc1Oc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
DelComponent,Modify the molecule [C-]#[N+]C(=Cc1ccc(OC)cc1)C(=O)OCCCCCCCCCC by removing a benzene ring.,[C-]#[N+]C(=COC)C(=O)OCCCCCCCCCC
LogP,Please modify the molecule O=C1CSc2ccc(CCNC(=O)c3cccc(F)c3)cc2N1 to decrease its LogP value.,ONc1cccc(C(=O)NCCc2ccc3c(c2)NC(=O)CS3)c1
MR,Please optimize the molecule CC[n+]1c(C=C2C=C(C=CC=C3N(C)c4ccccc4C3(C)C)CC(C)(C)C2)sc2ccccc21 to have a higher MR value.,CC[n+]1c(C=C2C=C(C=CC=C3N(C)c4ccccc4C3(C)Cc3ccccc3)CC(C)(C)C2)sc2ccccc21
QED,Modify the molecule O=C([O-])C1CC2CCCCC2N1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 to have a higher QED value.,O=C([O-])C1CC2CCCCC2N1C(=O)CCCc1ccc([N+](=O)[O-])cc1
AtomNum,"There is a molecule consisting of 21 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COCCOCC(=O)N1CC(c2ccc(C)cc2)C2C1C1CC[NH+]2CC1
BondNum,"The molecule consists of 20 single bonds, 2 double bonds, 8 rotatable bonds, and 23 aromatic bonds.",CCOC(=O)c1c(-c2ccc(O)c(C(=O)NCc3ccccc3Cl)c2)c(C)n2c1-c1cc(OC)c(OC)cc1CC2
FunctionalGroup,"There is a molecule consisting of 2 benzene ring groups, 1 amide group, 1 amine group, 2 nitrile groups, and 1 sulfone group.",N#Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1OCC1CCC(C(=O)N2CCCC2C#N)[NH2+]1
AddComponent,Add a hydroxyl to the molecule O=C(C1CCC(CO)N1C(=O)OCc1ccccc1)N(OC(F)(F)F)c1ccccc1.,O=C(C1CCC(CO)N1C(=O)OCc1ccc(O)cc1)N(OC(F)(F)F)c1ccccc1
SubComponent,Modify the molecule Cc1ccc(C)c(C(O)(C(=O)[O-])c2ccccc2C)c1 by substituting a hydroxyl with a nitro.,Cc1ccc(C)c(C(NO)(C(=O)[O-])c2ccccc2C)c1
DelComponent,Please remove a benzene ring from the molecule CCCCOC(=O)P(C(=O)OCC)c1ccccc1.,CCCCOC(=O)PC(=O)OCC
LogP,Please modify the molecule C[NH2+]C(Cc1sccc1Br)c1cc(Cl)cc(Cl)c1 to decrease its LogP value.,C[NH2+]C(Cl)(Cl)Cc1sccc1Br
MR,Please optimize the molecule COc1cccc(C(=O)N2CC([NH+](CC(C)C)CC3CCCCC3)CC2C(=O)NCC[NH3+])c1 to have a higher MR value.,COc1cc(C(=O)N2CC([NH+](CC(C)C)CC3CCCCC3)CC2C(=O)NCC[NH3+])cc(-c2ccccc2)c1
QED,Modify the molecule COc1ccc(S(=O)(=O)N(CC(=O)N2CC(C(=O)NCc3ccccc3)Oc3ccccc32)Cc2ccccc2)cc1 to have a lower QED value.,COc1ccc(S(=O)(=O)N(CC(=O)N2CC(C(=O)NCc3ccccc3)Oc3ccccc32)Cc2ccccc2)cc1-c1ccccc1
AtomNum,"There is a molecule composed of 19 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, 1 sulfur atom, and 3 fluorine atoms.",O=C1Nc2ccc(C(F)(F)F)cc2SN1CCC[NH+]1CCN(c2ncccn2)CC1
BondNum,"There is a molecule composed of 11 single bonds, 1 double bond, 2 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1C(F)(F)F
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 hydroxyl group, 1 amide group, 1 amine group, and 1 sulfone group.",O=C(c1ccc(S(=O)(=O)NCC2(O)CCC2)cc1)N1CCOCC1
AddComponent,Please add a benzene ring to the molecule C[NH+](C)CCNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCC#N)n3)[nH]2)OC1.,C[NH+](CCNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCC#N)n3)[nH]2)OC1)Cc1ccccc1
SubComponent,Please substitute a halo in the molecule CC(C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 with a carboxyl.,CC(C(=O)Nc1ccc(C(=O)[OH])cc1)[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
DelComponent,Modify the molecule CCNc1nc(NCc2ccccc2)c2ncn(-c3ccccc3)c2n1 by removing a amine.,CCc1nc(NCc2ccccc2)c2ncn(-c3ccccc3)c2n1
LogP,Please optimize the molecule CCC[NH+](CCC)CCNC(=O)c1ccc(OC2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 to have a lower LogP value.,CCC[NH+](CCC)CCNC(=O)c1ccc(OC2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)c(C#N)c1
MR,Modify the molecule CCCCCc1ccc(CCc2ccc(-c3ccc(CCOS(=O)(=O)C(F)(F)F)cc3CC)c(F)c2)cc1 to increase its MR value.,CCCCCc1ccc(CCc2ccc(-c3ccc(CCOS(=O)(=O)C(F)(F)C(=O)[OH])cc3CC)c(F)c2)cc1
QED,Modify the molecule O=C(NCC1C2C[NH+](CC(=O)N3CCSCC3)CC12)c1cccc(OC(F)(F)F)c1 to have a lower QED value.,O=C(NCC1C2C[NH+](CC(=O)N3CCSCC3)CC12)c1cccc(OC(O)(F)F)c1
AtomNum,"Please generate a molecule composed of 20 carbon atoms, 2 oxygen atoms, 4 nitrogen atoms, and 1 chlorine atom.",Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)CCl
BondNum,"There is a molecule with 7 single bonds, 1 double bond, 1 triple bond, 4 rotatable bonds, and 17 aromatic bonds.",CCOc1nccc(-c2cccc3ccc(C(=O)[O-])cc23)c1C#N
FunctionalGroup,"Please generate a molecule with 1 hydroxyl group, and 1 halo group.",COCCOCC(O)c1cc2cccc(Cl)c2o1
AddComponent,Modify the molecule O=C(c1cccc(Br)c1Cl)C1CCCc2ccccc21 by adding a benzene ring.,O=C(c1cccc(Br)c1Cl)C1CCC(c2ccccc2)c2ccccc21
SubComponent,Modify the molecule halo by substituting a C[Si](C)(c1ccccc1)C(Cl)Sc1ccccc1 with a hydroxyl.,C[Si](C)(c1ccccc1)C(O)Sc1ccccc1
DelComponent,Please remove a benzene ring from the molecule COCC(=O)N(CCC(=O)[O-])c1cccc(C(=O)[O-])c1.,COCC(=O)N(CCC(=O)[O-])C(=O)[O-]
LogP,Modify the molecule N#Cc1c(-c2cccs2)cc(-c2cccnc2)[nH]c1=O to have a lower LogP value.,ONc1c(-c2cccs2)cc(-c2cccnc2)[nH]c1=O
MR,Optimize the molecule CC(CNc1cc(Br)ccc1C(F)(F)F)C[NH+]1CCCC1 to have a lower MR value.,CC(CN(Br)C(F)(F)F)C[NH+]1CCCC1
QED,Please optimize the molecule C=CC(=O)OCCOC(CC)(c1ccccc1)c1ccccc1 to have a lower QED value.,C=CC(=O)OCCOC(CC)c1ccccc1
AtomNum,"Please generate a molecule consisting 22 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 3 chlorine atoms, and 1 bromine atom.",CCOc1cc(CNc2cc(Cl)c([O-])c(Cl)c2)c(Br)cc1OCc1ccccc1Cl
BondNum,"The molecule has 12 single bonds, 3 double bonds, 6 rotatable bonds, and 22 aromatic bonds.",COC(=O)c1ccc2c(c1)c(C(=O)C(=O)Nc1c(Cl)cncc1Cl)cn2Cc1ccc(F)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, 2 halo groups, and 1 sulfone group.",O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CC[NH+](Cc2ccncc2)CC1
AddComponent,Please add a aldehyde to the molecule O=Cc1ccc(F)c(N2CCNC2=O)c1.,O=CCC1CN(c2cc(C=O)ccc2F)C(=O)N1
SubComponent,Please substitute a halo in the molecule Fc1cnc(OCCC2CCC[NH2+]C2)c(F)c1 with a nitrile.,N#Cc1cnc(OCCC2CCC[NH2+]C2)c(F)c1
DelComponent,Remove a amine from the molecule COc1cc2c(cc1OC)C[NH+](CCc1ccc(NC(=O)c3ccc(N[O-])cc3NC(=O)c3cnccn3)cc1)CC2.,COc1cc2c(cc1OC)C[NH+](CCc1ccc(NC(=O)c3ccc([O-])cc3NC(=O)c3cnccn3)cc1)CC2
LogP,Please modify the molecule CCNC(=O)C(=O)Nc1cc(C)c(Cl)cc1OC to decrease its LogP value.,CC(=O)c1cc(OC)c(NC(=O)C(=O)NCC)cc1C
MR,Modify the molecule CCCCC1CCC(C2CCC(CCc3cc4ccc(OCC)cc4c(F)c3F)CC2)CC1 to increase its MR value.,CCCCC1CCC(C2CCC(CCc3c(F)c(F)c4cc(OCC)ccc4c3-c3ccccc3)CC2)CC1
QED,Optimize the molecule Cc1cc(O)c2c(c1)C(C)(C)CN2 to have a higher QED value.,Cc1cc(S)c2c(c1)C(C)(C)CN2
AtomNum,"There is a molecule consisting of 18 carbon atoms, 2 oxygen atoms, and 7 nitrogen atoms.",CN(C)c1[nH+]cc(CNC(=O)C2CCC(=O)N(C)C2c2cnn(C)c2)n1C
BondNum,"The molecule has 26 single bonds, 6 double bonds, and 14 rotatable bonds.",CC(=O)O[Si](CCC[NH2+]CCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O)(OC(C)=O)OC(C)=O
FunctionalGroup,Please generate a molecule with and 1 amide group.,O=C1CC(c2cccnc2)c2c(n[nH]c2C2CCC2)N1
AddComponent,Modify the molecule CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCCC3)cc2)cc1 by adding a hydroxyl.,CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(O)CCCC3)cc2)cc1
SubComponent,Please substitute a halo in the molecule O=C(c1cccc(F)c1Br)N1CCCC1CCBr with a nitro.,ONc1cccc(C(=O)N2CCCC2CCBr)c1Br
DelComponent,Remove a amine from the molecule Cc1cc(N=Nc2ccc(-c3ccc(NN=C4C(=O)c5c(cc(S(=O)(=O)[O-])c(N=Nc6cc(Cl)ccc6Cl)c5N)C=C4S(=O)(=O)[O-])cc3)cc2)c(N)cc1N.,Cc1cc(N=Nc2ccc(-c3ccc(N=C4C(=O)c5c(cc(S(=O)(=O)[O-])c(N=Nc6cc(Cl)ccc6Cl)c5N)C=C4S(=O)(=O)[O-])cc3)cc2)c(N)cc1N
LogP,Modify the molecule COCCOc1cc(-c2[nH]ncc2CN(C)CC[NH3+])cc(C(F)(F)F)c1 to decrease its LogP value.,COCCOc1cc(-c2[nH]ncc2CN(C)CC[NH3+])cc(C(F)(F)C#N)c1
MR,Please modify the molecule O=C(Nc1ccccn1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(O)(C6)C4)C5)cc3F)[nH]c2c1 to decrease its MR value.,O=C(Nc1ccccn1)c1ccc2nc(N(F)C(=O)C34CC5CC(CC(O)(C5)C3)C4)[nH]c2c1
QED,Modify the molecule COc1ccc(Br)c(C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)c1 to have a higher QED value.,COc1cccc(C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)c1
AtomNum,"The molecule consists of 8 carbon atoms, 2 oxygen atoms, 5 nitrogen atoms, and 2 sulfur atoms.",O=C(CSc1nc(=O)cn[nH]1)Nc1nccs1
BondNum,"There is a molecule composed of 9 single bonds, 2 double bonds, and 5 rotatable bonds.",CSCC(OC(=O)CCl)C(=O)[O-]
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 ester group, and 1 amide group.",O=C(OCC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(-n2cccc2)cc1
AddComponent,Modify the molecule C#CC(CC)C(O)C(c1ccc(C)cc1)S(C)(=O)=O by adding a benzene ring.,C#CC(CC)C(O)C(c1ccc(C)cc1-c1ccccc1)S(C)(=O)=O
SubComponent,Substitute a Cc1ccc(F)c2nc(Cl)c(C(C)(C)C)cc12 in the molecule halo with a nitrile.,Cc1ccc(C#N)c2nc(Cl)c(C(C)(C)C)cc12
DelComponent,Modify the molecule amide by removing a CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)C1C(=O)c1ccccc1.,CCC(C(=O)c1ccccc1)C(C)C(=O)NCc1ccccc1
LogP,Modify the molecule C=CCOC(=O)NC1(C(=O)[O-])C(F)CC2C(C(=O)[O-])C21 to have a higher LogP value.,C=CCOC(=O)NC1(C(=O)[O-])CCC2C(C(=O)[O-])C21
MR,Optimize the molecule CC1(CNC(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)CC[NH2+]CC1 to have a lower MR value.,CC(NC(=O)c1cccnc1)C(=O)NCC1(C)CC[NH2+]CC1
QED,Modify the molecule C=CCN(CC(=O)[O-])C(=O)c1cc(Cl)cn1CCC to have a lower QED value.,C=CCN(CC(=O)[O-])C(=O)c1cc(Cl)c(C#N)n1CCC
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(CCCCl)N1CCC(Oc2nncc3ccccc23)CC1
BondNum,"There is a molecule consisting of 10 single bonds, 2 double bonds, 3 rotatable bonds, and 23 aromatic bonds.",O=C1C(O)=C(c2cccc3ccccc23)C(c2ccc(F)cc2)N1c1cccc(Cl)c1
FunctionalGroup,"The molecule has 2 benzene ring groups, 1 amide group, 1 sulfide group, and 1 sulfone group.",O=C(Nc1nncs1)c1cccc(CS(=O)(=O)c2ccccc2)c1
AddComponent,Add a amine to the molecule Bc1ccc(C2C(COC(C)[NH2+]C(CC(C)C)C(=O)[O-])=CC(C(C)(C)C)N2S(=O)(=O)C2CC=CC=C2Cl)cc1.,Bc1ccc(C2C(COC(C)[NH2+]C(CC(C)C)C(=O)[O-])=C(N)C(C(C)(C)C)N2S(=O)(=O)C2CC=CC=C2Cl)cc1
SubComponent,Modify the molecule halo by substituting a Clc1cccc(C[NH+]2CC(Nc3ccc4cnccc4c3)C2)c1 with a nitro.,ONc1cccc(C[NH+]2CC(Nc3ccc4cnccc4c3)C2)c1
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(NC(=O)c2c(NC(=O)CN3CC[NH2+]CC3)sc3c2CCCC3)c1.,CNC(=O)c1c(NC(=O)CN2CC[NH2+]CC2)sc2c1CCCC2
LogP,Please optimize the molecule CC(C)(C#N)C(O)c1cccc(C(F)F)c1 to have a lower LogP value.,CC(C)(C#N)C(O)c1cccc(C(F)S)c1
MR,Modify the molecule COc1cc(C=NN2C(=O)NC3(CCCCC3)C2=O)cc(OC)c1OC(F)F to increase its MR value.,COc1cc(C=NN2C(=O)NC3(CCCC(c4ccccc4)C3)C2=O)cc(OC)c1OC(F)F
QED,Modify the molecule CCOc1ccccc1N1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(OC)cc2)C1=O to have a lower QED value.,CCOc1ccccc1N1C(=O)C(Nc2cccc(S)c2)=C(c2ccc(OC)cc2)C1=O
AtomNum,"Please generate a molecule with 8 carbon atoms, and 4 nitrogen atoms.",Cc1nn(CC#N)c(C)c1C[NH3+]
BondNum,"Please generate a molecule with 6 single bonds, 1 double bond, 1 rotatable bond, and 6 aromatic bonds.",CC(=O)C1(C)Oc2ccccc21
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 ester group, 2 amide groups, and 1 halo group.",CCOC(=O)CN(CCOC)C(=O)C1=NN(c2ccc(F)cc2)C(C(N)=O)C1
AddComponent,Add a benzene ring to the molecule CCOc1cc(C2=C(O)C(=O)N(c3cccc(C)c3)C2c2ccc(O)cc2)ccc1OC.,CCOc1cc(C2=C(O)C(=O)N(c3ccc(-c4ccccc4)c(C)c3)C2c2ccc(O)cc2)ccc1OC
SubComponent,Substitute a hydroxyl in the molecule CCn1ncc2c(NC3CCOCC3)c(C(=O)Nc3ccc(O)cc3)c[nH+]c21 with a carboxyl.,CCn1ncc2c(NC3CCOCC3)c(C(=O)Nc3ccc(C(=O)[OH])cc3)c[nH+]c21
DelComponent,Please remove a COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=C(C)c2cccc3ccccc23)c1 from the molecule benzene ring.,COc1ccccc1NS(=O)(=O)C(=O)NN=C(C)c1cccc2ccccc12
LogP,Optimize the molecule Nc1c2c(nc(=S)n1-c1ccccc1)NC1=C(CCCC1)C2c1ccc(Cl)cc1 to have a lower LogP value.,Nc1c2c(nc(=S)n1-c1ccccc1)NC1=C(CCCC1)C2c1ccccc1
MR,Modify the molecule NC(=O)CCOc1ccc2ccccc2c1C[NH2+]C1CC1 to decrease its MR value.,COc1ccc2ccccc2c1C[NH2+]C1CC1
QED,Modify the molecule COCC(C[NH3+])OCCCc1ccncc1 to have a higher QED value.,COCC(C[NH3+])OCCCc1ccnc(-c2ccccc2)c1
AtomNum,"Please generate a molecule composed of 11 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",CCCCS(=O)(=O)Nc1oc(C)c(C)c1C#N
BondNum,"The molecule contains 8 single bonds, 6 rotatable bonds, and 17 aromatic bonds.",COc1ccc(CCc2[nH+]ccn2Cc2cccc(Br)c2)cc1
FunctionalGroup,There is a molecule composed of and 1 halo group.,O=c1[nH]c2ccccc2nc1CCl
AddComponent,Please add a carboxyl to the molecule CCS(=O)C1CCCC(NC(NCCCc2cccc(OC)c2)=[NH+]C)C1.,CCS(=O)C1CCCC(NC(NCCCc2cccc(OCC(=O)O)c2)=[NH+]C)C1
SubComponent,Please substitute a O=c1cc(-c2ccc(OCCOCCOCCOCCO)cc2)oc2ccccc12 in the molecule hydroxyl with a aldehyde.,CC(=O)CCOCCOCCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1
DelComponent,Modify the molecule C[NH2+]C(c1cnn(C)c1)C(C)(C)c1ccccc1 by removing a benzene ring.,C[NH2+]C(c1cnn(C)c1)C(C)C
LogP,Modify the molecule CCCN1CC(=O)N(Cc2cccnc2N)CC1=O to have a higher LogP value.,CCCN1CC(=O)N(Cc2cccnc2)CC1=O
MR,Please modify the molecule CCC(=Cc1c(Cl)nc2ccccn12)[N+](=O)[O-] to decrease its MR value.,CCC(=Cc1cnc2ccccn12)[N+](=O)[O-]
QED,Modify the molecule CC1=Cc2ccccc2C1C[SiH2]c1ccc(C2C(C)=Cc3ccccc32)cc1 to increase its QED value.,CC1=Cc2ccccc2C1C[SiH2]c1ccc(C2C(C)=Cc3ccccc32)c(O)c1
AtomNum,"The molecule contains 10 carbon atoms, 1 oxygen atom, and 4 nitrogen atoms.",O=c1ncc(CCN2CC[NH2+]CC2)c[nH]1
BondNum,"Please generate a molecule composed of 13 single bonds, 4 double bonds, 8 rotatable bonds, and 15 aromatic bonds.",CCOC(=O)c1sc2cccc(F)c2c1COC(=O)CNS(=O)(=O)c1cnn(C)c1
FunctionalGroup,"The molecule consists of 3 benzene ring groups, 3 amide groups, 1 thioether group, 1 nitrile group, and 2 sulfide groups.",CCC(Sc1cccc(NC(=O)C(=Cc2ccco2)NC(=O)c2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CC[NH+](Cc1ccccc1)C2
AddComponent,Please add a hydroxyl to the molecule CCC(Sc1cccc(NC(=O)C(=Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)c1)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1.,CCC(Sc1cccc(NC(=O)C(=Cc2c[nH]c3c(O)cccc23)NC(=O)c2ccccc2)c1)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1
SubComponent,Modify the molecule hydroxyl by substituting a CCCn1nncc1C(O)C(OC)C(C)(C)C with a carboxyl.,CCCn1nncc1C(C(=O)[OH])C(OC)C(C)(C)C
DelComponent,Modify the molecule C[Si](C)(c1ccccc1)N1Cc2ccccc2-c2ccccc21 by removing a benzene ring.,C[Si](C)N1Cc2ccccc2-c2ccccc21
LogP,Please modify the molecule COc1ccccc1CC(O)CN1CC[NH2+]CC1 to decrease its LogP value.,COc1ccccc1CC(N)(O)CN1CC[NH2+]CC1
MR,Please modify the molecule CCOCC[n+]1cnc(C=C2Oc3ccccc3N2C)c2c1NCN2 to decrease its MR value.,CCOCC[n+]1cnc(C=C2Oc3ccccc3N2C)c2c1CN2
QED,Please modify the molecule O=C(Nc1ccccc1OC(F)F)c1ncccc1Br to decrease its QED value.,O=C(Nc1ccccc1OC(F)C(=O)[OH])c1ncccc1Br
AtomNum,"The molecule consists of 24 carbon atoms, 4 oxygen atoms, 1 nitrogen atom, and 3 fluorine atoms.",CNC(=O)CCCC=CCC1C=CC(=O)C1C=CC(O)COc1cccc(C(F)(F)F)c1
BondNum,"The molecule consists of 12 single bonds, 3 double bonds, 9 rotatable bonds, and 11 aromatic bonds.",COCC[NH2+]CCNS(=O)(=O)c1ccc(NC(C)=O)c2ccccc12
FunctionalGroup,"The molecule consists of 1 benzene ring group, 2 amide groups, and 1 nitro group.",NC(=O)C1COCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-]
AddComponent,Please add a benzene ring to the molecule COc1ccc(C(=O)NN=C(C)C23CC4CC(CC(C4)C2)C3)cc1OC.,COc1cc(C(=O)NN=C(C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1
SubComponent,Modify the molecule halo by substituting a CCS(=O)(=O)N1CCCC1c1ccccc1F with a nitrile.,CCS(=O)(=O)N1CCCC1c1ccccc1C#N
DelComponent,Remove a O=C([O-])C1CC(=O)N(c2ccc(CCc3ccc(F)cc3)cc2)C1 from the molecule halo.,O=C([O-])C1CC(=O)N(c2ccc(CCc3ccccc3)cc2)C1
LogP,Please optimize the molecule CC(=O)OCOC(=O)CN1CCOCCN(CC(=O)OCOC(C)=O)c2ccc(-c3c4cc(F)c(=[N+](C)C)cc-4oc4cc(OCOC(=O)N(C)C)ccc34)cc2OCCOc2cc(C)ccc21 to have a lower LogP value.,CC(=O)OCOC(=O)CN1CCOCCN(CC(=O)OCOC(C)=O)c2ccc(-c3c4cc(C#N)c(=[N+](C)C)cc-4oc4cc(OCOC(=O)N(C)C)ccc34)cc2OCCOc2cc(C)ccc21
MR,Please optimize the molecule CCOC(=O)C(F)(F)C(NS(=O)(=O)c1ccc(OC)cc1)c1ccccc1 to have a lower MR value.,CCOC(=O)C(F)(F)CNS(=O)(=O)c1ccc(OC)cc1
QED,Please optimize the molecule COc1cc2nccc(Nc3ccc(Oc4cccc(COc5ccccc5C#N)c4)cc3)c2cc1OC to have a higher QED value.,COc1cc2nccc(Nc3ccc(OCOc4ccccc4C#N)cc3)c2cc1OC
AtomNum,"There is a molecule with 14 carbon atoms, 1 oxygen atom, 5 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",O=C(Nc1c(F)cccc1Br)c1cccc(-n2cnnn2)c1
BondNum,"The molecule consists of 19 single bonds, 2 double bonds, 9 rotatable bonds, and 11 aromatic bonds.",COCCN(CCC(=O)N1CCCC1)C(=O)c1csc(Nc2cc(Cl)ccc2C)n1
FunctionalGroup,"Please generate a molecule consisting 2 benzene ring groups, 1 hydroxyl group, and 1 halo group.",OC1CCCc2nc(C3CCCC3)c(Cc3ccccc3)c(-c3ccc(F)cc3)c21
AddComponent,Modify the molecule CCOC(=O)c1ccccc1NC(=O)COc1cccc2cccnc12 by adding a aldehyde.,CCOC(=O)c1ccc(CC=O)cc1NC(=O)COc1cccc2cccnc12
SubComponent,Please substitute a Cc1ccc(C)c(Oc2c(F)cccc2CCl)c1 in the molecule halo with a carboxyl.,Cc1ccc(C)c(Oc2c(CCl)cccc2C(=O)[OH])c1
DelComponent,Please remove a amine from the molecule COC(=O)NC1CC[NH+](Cc2cccc(N)c2)C1.,COC(=O)NC1CC[NH+](Cc2ccccc2)C1
LogP,Modify the molecule NC(NN(c1cc(Nc2ccccc2)ncn1)C([NH3+])I)=[NH+]c1cccc(OCc2ccccc2)c1 to decrease its LogP value.,NC(NN(c1cc(Nc2ccccc2)ncn1)C([NH3+])NO)=[NH+]c1cccc(OCc2ccccc2)c1
MR,Modify the molecule CCC1C[NH+](C)CCCN1c1cc(C#N)cc(Cl)n1 to decrease its MR value.,CCC1C[NH+](C)CCCN1c1cccc(Cl)n1
QED,Please optimize the molecule COc1nc(-c2cccs2)cc(-c2ccncc2)c1C#N to have a higher QED value.,COc1nc(-c2cccs2)cc(-c2ccncc2)c1C(=O)[OH]
AtomNum,"There is a molecule with 18 carbon atoms, and 2 fluorine atoms.",CCCCCC1CCC(C2CCC(C)C(F)C2F)CC1
BondNum,"Please generate a molecule with 10 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCCC([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]
FunctionalGroup,Please generate a molecule composed of and 1 halo group.,CC(C)CC(CF)[NH2+]C1CC1
AddComponent,Modify the molecule CC([NH3+])(c1nc2c([nH]1)CCCC2)C1CCCCC1 by adding a aldehyde.,CC([NH3+])(c1nc2c([nH]1)CC(CC=O)CC2)C1CCCCC1
SubComponent,Substitute a halo in the molecule COCCOCC(O)COc1cc(Br)ccc1C(=O)[O-] with a nitro.,COCCOCC(O)COc1cc(NO)ccc1C(=O)[O-]
DelComponent,Modify the molecule benzene ring by removing a CC(C)C[NH2+]Cc1ccc(OCCn2cccn2)cc1.,CC(C)C[NH2+]COCCn1cccn1
LogP,Optimize the molecule Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)cc4c5ccc6c(cc7c8ccc(-c9ccc(C)cc9)cc8c8cc(-c9ccc(C)cc9)cc6c87)c5cc3c42)cc1 to have a lower LogP value.,Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)cc4c5ccc6c(cc7c8ccc(C)cc8c8cc(-c9ccc(C)cc9)cc6c87)c5cc3c42)cc1
MR,Please optimize the molecule CC(=O)N1CCN(C(=O)Cc2ccc(N(Cc3cccc(C)c3)C(=O)C=Cc3ccccc3)cc2)CC1 to have a lower MR value.,CC(=O)N1CCC(c2ccc(N(Cc3cccc(C)c3)C(=O)C=Cc3ccccc3)cc2)C1
QED,Modify the molecule CC(C)c1cc(I)ccc1NC(=O)CSc1nnc(-c2ccccc2)n1N to have a higher QED value.,CC(C)c1cc(I)ccc1NC(=O)CSc1nncn1N
AtomNum,"There is a molecule consisting of 17 carbon atoms, 2 nitrogen atoms, and 1 bromine atom.",C[NH2+]C(C)c1ccc(N(CC2CC2)CC2CC2)cc1Br
BondNum,"There is a molecule composed of 19 single bonds, 1 double bond, and 12 rotatable bonds.",CCC[NH2+]C(C)(CCCC[NH+](C)CCC(C)C)C(=O)OC
FunctionalGroup,"The molecule is composed of 1 ketone group, and 1 amide group.",CCCN1C(=O)COc2ccc(C(=O)C(C)n3c(=O)oc4ccccc43)cc21
AddComponent,Please add a aldehyde to the molecule CSc1ccc(C(C#N)N2CCC(C(=O)[O-])CC2)cc1.,CSc1ccc(C(C#N)N2CCC(C(=O)[O-])CC2CC=O)cc1
SubComponent,Please substitute a halo in the molecule Clc1ccc(C2CC[NH2+]CC2OCc2ccccc2Cl)cc1 with a aldehyde.,CC(=O)c1ccc(C2CC[NH2+]CC2OCc2ccccc2Cl)cc1
DelComponent,Modify the molecule amide by removing a CC(=O)c1ccccc1NC1=C(Cl)C(=O)N(c2ccc(C)cc2)C1=O.,CC(=O)c1ccccc1N(c1ccc(C)cc1)C(Cl)C=O
LogP,Please modify the molecule CCCCc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2ccc(OC)c(Cl)c2)cc1 to decrease its LogP value.,CCCCc1ccc(N2C(=O)C(O)=C(c3ccc(O)cc3)C2c2ccc(OC)c(Cl)c2)cc1
MR,Please modify the molecule O=C1CC([NH+]2CCN(c3ccccc3F)CC2)C(=O)N1c1ccc(N2C(=O)CC([NH+]3CCN(c4ccccc4F)CC3)C2=O)cc1 to increase its MR value.,O=C(O)c1cc(N2C(=O)CC([NH+]3CCN(c4ccccc4F)CC3)C2=O)ccc1N1C(=O)CC([NH+]2CCN(c3ccccc3F)CC2)C1=O
QED,Optimize the molecule CC(C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl)[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(Cl)cc2C(=O)N2CCOCC2)CC1 to have a higher QED value.,CC(C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl)[NH+]1CCC(C(=O)NCC(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1
AtomNum,"There is a molecule composed of 13 carbon atoms, 2 oxygen atoms, and 3 nitrogen atoms.",COc1cnc(NC2CCC(C)CC2)nc1OC
BondNum,"The molecule is composed of 15 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CC[NH2+]Cc1cc(F)c(N2CCCN(C)C(=O)C2)c(F)c1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ester group, 1 amide group, 3 halo groups, 1 thioether group, and 2 sulfide groups.",CCOC(=O)c1c(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)sc2c1CCCC2
AddComponent,Modify the molecule CC=C(C)COc1nccc(C)n1 by adding a benzene ring.,CC=C(C)C(Oc1nccc(C)n1)c1ccccc1
SubComponent,Please substitute a halo in the molecule CCCCn1c(-c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)nc2ccc(OCCC[NH+](CC)CC)cc21 with a nitro.,CCCCn1c(-c2cccc(Oc3ccc(NO)c(Cl)c3)c2)nc2ccc(OCCC[NH+](CC)CC)cc21
DelComponent,Modify the molecule COCCn1cc(C)sc1=NC(=O)C12CC3CC(CC(O)(C3)C1)C2 by removing a hydroxyl.,COCCn1cc(C)sc1=NC(=O)C12CC3CC(CC(C3)C1)C2
LogP,Please modify the molecule COc1cc(C(=O)Nc2ccc3c(c2)N(Cc2ccc(C)cc2)C(=O)C(C)O3)cc(OC)c1OC to decrease its LogP value.,CCN1C(=O)C(C)Oc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc21
MR,Optimize the molecule Cc1cn(Cc2nc(-c3cccc(Cl)c3)oc2C)cn1 to have a lower MR value.,Cc1cn(Cc2nc(Cl)oc2C)cn1
QED,Modify the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)CC2)cccc1C(=O)NCc1ccc(F)cc1 to have a lower QED value.,Cc1c(NC(=O)C[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)CC2)cccc1C(=O)NCc1ccc(NO)cc1
AtomNum,"Please generate a molecule composed of 36 carbon atoms, 6 oxygen atoms, and 4 nitrogen atoms.",CNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(CC(C)C)[NH2+]C(CCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C
BondNum,"Please generate a molecule consisting 19 single bonds, 1 triple bond, 5 rotatable bonds, and 6 aromatic bonds.",CCC[Si]1CCC(CC(O)C#Cc2ccc(OC(F)(F)F)cc2)CC1
FunctionalGroup,Please generate a molecule with and 1 halo group.,Cc1[nH]n2nc(CC[NH3+])nc2c1Cl
AddComponent,Modify the molecule CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc3cc[nH]c3c1)n2CCCN1CCCC1=O by adding a benzene ring.,CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc3cc[nH]c3c1)n2C(CCN1CCCC1=O)c1ccccc1
SubComponent,Substitute a Cn1cc(C2CN(S(=O)(=O)c3ccccc3C#N)CC2CO)cn1 in the molecule hydroxyl with a carboxyl.,Cn1cc(C2CN(S(=O)(=O)c3ccccc3C#N)CC2CC(=O)[OH])cn1
DelComponent,Please remove a amine from the molecule CCOCCCNC(=S)NCCc1nccs1.,CCOCCCNC(=S)CCc1nccs1
LogP,Modify the molecule CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2nnc(C)s2)C3=O)cc1 to have a lower LogP value.,CC(=O)NNC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1nnc(C)s1)C2=O
MR,Please optimize the molecule Cc1ccc(NN=Cc2c([O-])n(-c3ccc(Br)c(C)c3C)c(=O)[nH]c2=O)cc1 to have a lower MR value.,Cc1ccc(N=Cc2c([O-])n(-c3ccc(Br)c(C)c3C)c(=O)[nH]c2=O)cc1
QED,Modify the molecule C=C1C=C(C)N(c2c(C(C)C)cccc2C(C)C)[SiH](NN)N1c1c(C(C)C)cccc1C(C)C to have a lower QED value.,C=C1C=C(C)N(c2c(C(C)C)cccc2C(C)C)[SiH](NN)N1c1c(C(C)C)cc(O)cc1C(C)C
AtomNum,"The molecule has 19 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",O=c1ccc(SCC[NH+]2CCC(O)(Cc3ccc(Cl)cc3)CC2)c[nH]1
BondNum,"Please generate a molecule composed of 10 single bonds, 2 rotatable bonds, and 11 aromatic bonds.",COc1c(-c2cnoc2N)ccc2c1CCCN2C
FunctionalGroup,"The molecule has 1 ester group, and 2 halo groups.",COC(=O)CCOc1c(Br)cc(Br)c2cccnc12
AddComponent,Please add a carboxyl to the molecule Cc1nc(C2CCCN(C(=O)NC3CCOc4ccc(F)cc43)C2)sc1C.,Cc1nc(C2CCCN(C(=O)NC3CC(C(=O)O)Oc4ccc(F)cc43)C2)sc1C
SubComponent,Modify the molecule Cc1cc(CC(C)(O)C(C)C)cs1 by substituting a hydroxyl with a carboxyl.,Cc1cc(CC(C)(C(=O)[OH])C(C)C)cs1
DelComponent,Modify the molecule CC(C(=O)NC1CCCC1)[NH+]1CCN(C(=O)C2CC2)C1 by removing a amide.,CCC1CC[NH+]1C(C)C(=O)NC1CCCC1
LogP,Please modify the molecule CC1OCCC1(C)Nc1ccc(C(N)=S)c(C(F)(F)F)c1 to decrease its LogP value.,CC1OCCC1(C)Nc1ccc(C(N)=S)c(C(F)F)c1
MR,Modify the molecule O=C([O-])c1nnn(-c2cc(F)c(F)c(F)c2)c1-c1ccc(Cl)cc1 to have a higher MR value.,O=C([O-])c1nnn(-c2cc(O)c(F)c(F)c2)c1-c1ccc(Cl)cc1
QED,Optimize the molecule Nc1ccc(NC(=O)NCc2cccc(C3=NOC(O)(C(F)(F)F)C3)c2)cc1 to have a lower QED value.,Nc1ccc(NC(=O)NCc2cccc(C3=NOC(O)(C(F)(F)NO)C3)c2)cc1
AtomNum,"The molecule contains 28 carbon atoms, 8 oxygen atoms, and 4 silicon atoms.",CC[Si]1(COC(C)(C)C)O[Si](CC)(COC(C)(C)C)O[Si](CC)(COC(C)(C)C)O[Si](CC)(COC(C)(C)C)O1
BondNum,"The molecule contains 20 single bonds, 2 double bonds, 6 rotatable bonds, and 11 aromatic bonds.",O=C(NC1CC[NH+](CC2(F)CC2)CC1C(=O)[O-])c1cc(-c2ccc(F)cc2F)on1
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, 1 amine group, 2 halo groups, and 1 sulfide group.",COc1cc(OC)c(NCc2sccc2Br)cc1Cl
AddComponent,Modify the molecule CCCC1CCC(n2c(=O)[nH]c(Cl)c(C)c2=O)CC1 by adding a aldehyde.,Cc1c(Cl)[nH]c(=O)n(C2CCC(CC(C)CC=O)CC2)c1=O
SubComponent,Please substitute a halo in the molecule COCC(C)N(C)c1ccc(CCl)c(C)n1 with a thiol.,COCC(C)N(C)c1ccc(CS)c(C)n1
DelComponent,Remove a halo from the molecule COc1cc(C)c(Br)cc1C(O)c1ccc(Cl)s1.,COc1cc(C)c(Br)cc1C(O)c1cccs1
LogP,Modify the molecule Oc1cccc2c1OCC1(CC1)CO2 to have a higher LogP value.,Sc1cccc2c1OCC1(CC1)CO2
MR,Please optimize the molecule CCS(=O)(=O)N1CCC(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)CC1 to have a lower MR value.,CCS(=O)(=O)N1CCC(C)(c2ccc(OC(F)(F)F)cc2)CC1
QED,Modify the molecule O=C(NN=Cc1ccco1)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 to have a higher QED value.,O=C(NN=Cc1ccco1)c1ccc2c(c1)CN(c1ccccc1)C2
AtomNum,"Please generate a molecule with 5 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",COC(=O)c1cc(Br)ns1
BondNum,"There is a molecule with 20 single bonds, 2 double bonds, 5 rotatable bonds, and 6 aromatic bonds.",CCNC(=O)C[NH+]=C(NCC)NC1CC2(CCCC2)Oc2ccccc21
FunctionalGroup,"Please generate a molecule with 1 thioether group, and 1 sulfide group.",CCCC[Sn](CCCC)(CCCC)c1nccc(SC)c1CC
AddComponent,Modify the molecule C=CC[NH2+]C1(C(=O)[O-])CCOC(C)(C)C1 by adding a benzene ring.,CC1(C)CC([NH2+]CC=Cc2ccccc2)(C(=O)[O-])CCO1
SubComponent,Modify the molecule halo by substituting a NC(=[NH2+])Cc1ccc(CN2C(=O)c3cccc(NC(=O)C4=CC(Cl)=CCC4=S)c3C2=O)cc1 with a nitrile.,N#CC1=CCC(=S)C(C(=O)Nc2cccc3c2C(=O)N(Cc2ccc(CC(N)=[NH2+])cc2)C3=O)=C1
DelComponent,Remove a amide from the molecule C#CCN1c2ccccc2C(=O)N(C(C)C)S1(=O)=O.,C#CCN1c2(C(C)C)cccc-2S1(=O)=O
LogP,Please optimize the molecule COc1cc(C=NNC(=O)C(Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 to have a lower LogP value.,COc1cc(C=NNC(=O)C(Cc2cnc[nH]2)NC(=O)OCc2ccccc2O)ccc1OCc1ccc(Cl)c(Cl)c1
MR,Please modify the molecule Cc1ccnc(C(NC(=O)Nc2cc(F)cc3c2NC(=O)CC3)C2CC2)c1 to decrease its MR value.,Cc1ccnc(C(NC(=O)Nc2cc(F)cc3c2C3)C2CC2)c1
QED,Modify the molecule CC(C)c1ccc(OCCCOc2ccc3c(c2)CCC3CC(=O)[O-])cc1 to have a lower QED value.,CC(C)c1ccc(OCCCOc2ccc3c(c2)CCC3CC(=O)[O-])cc1N
AtomNum,"The molecule is composed of 25 carbon atoms, 1 oxygen atom, 7 nitrogen atoms, and 1 bromine atom.",CC(C)c1nc2c(Br)cn(Cc3ccccc3C(N)=[NH2+])c(=O)c2n1Cc1cccc(C(N)=[NH2+])c1
BondNum,"Please generate a molecule composed of 20 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",Cc1cc(C)cc(N(CCC(=O)N2CC(C)CC(C)C2)C(=O)CC(C)C)c1
FunctionalGroup,"The molecule has 1 amide group, 1 amine group, and 3 halo groups.",NC(=O)c1[nH+]c(C(F)F)cc(N)c1F
AddComponent,Modify the molecule CC(C)CC(C)C1OC(C)(C)OCC1C by adding a hydroxyl.,CC(C)CC(C)C1OC(C)(C)OC(O)C1C
SubComponent,Substitute a halo in the molecule Cc1cnc(C2(C)CCCS2)nc1CCl with a carboxyl.,Cc1cnc(C2(C)CCCS2)nc1CC(=O)[OH]
DelComponent,Remove a amide from the molecule COCC(C)CC(=O)N1C(C(=O)[O-])CSC1C1CC1.,COCC1(C)C(C(=O)[O-])CSC1C1CC1
LogP,Please optimize the molecule CCCNS(=O)(=O)c1ccc(C(=O)NCc2nc3ccc(OC)cc3[nH]2)cc1 to have a lower LogP value.,CCCNS(=O)(=O)C(=O)NCc1nc2ccc(OC)cc2[nH]1
MR,Please optimize the molecule O=C1CC(=Cc2cnn3c(NC4CC4)nc(OCc4ccccc4Cl)nc23)C(=O)N1 to have a lower MR value.,O=C1CC(=Cc2cnn3c(NC4CC4)nc(OCc4ccccc4)nc23)C(=O)N1
QED,Please optimize the molecule O=C([O-])c1ccc(C(c2ccc(C(=O)[O-])[nH]2)c2c(F)c(F)c(F)c(F)c2F)[nH]1 to have a higher QED value.,O=C([O-])c1ccc(C(c2ccc(C(=O)[O-])[nH]2)c2cc(F)c(F)c(F)c2F)[nH]1
AtomNum,"The molecule contains 14 carbon atoms, 2 nitrogen atoms, 1 fluorine atom, and 1 bromine atom.",Cc1cc(F)cc(C([NH3+])Cc2ccc(Br)cn2)c1
BondNum,"Please generate a molecule with 13 single bonds, 1 double bond, and 4 rotatable bonds.",O=C(CCC1OCCCO1)C1CC1
FunctionalGroup,There is a molecule with and 2 ester groups.,CCCCCCCCCCCCCCCCCCCCC=CCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC([NH3+])C(=O)[O-]
AddComponent,Modify the molecule CC1CC[NH+](C(CN=C(N)NCCc2ccccn2)c2cccs2)CC1 by adding a hydroxyl.,CC1CC[NH+](C(CN=C(N)NCCc2cc(O)ccn2)c2cccs2)CC1
SubComponent,Modify the molecule Cc1ccc(N2C(=O)C(c3ccc(Cl)cc3Cl)=C(N(C)c3ccccc3)C2=O)c(C)c1 by substituting a halo with a thiol.,Cc1ccc(N2C(=O)C(c3ccc(S)cc3Cl)=C(N(C)c3ccccc3)C2=O)c(C)c1
DelComponent,Remove a COc1ccccc1NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3ccc(F)cc3)CC2)c1 from the molecule halo.,COc1ccccc1NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3ccccc3)CC2)c1
LogP,Optimize the molecule CCCCOc1ccc(C2C(c3cccc(OCC(C)C)c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 to have a higher LogP value.,CCCCOc1ccc(C2C(c3cccc(OCC(C)C)c3)=CC(=O)N2c2ccc(C)c(C)c2)cc1
MR,Please modify the molecule O=C([O-])c1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 to decrease its MR value.,O=C([O-])NC(=O)C1CC(=O)N(c2ccc3c(c2)OCO3)C1
QED,Optimize the molecule CCn1nc(NC(=O)N2CCC(C[NH+](C)CC)C2)cc1C1CC1 to have a lower QED value.,CCn1nc(NC(=O)N2CCC(C[NH+](C)CC)C2)cc1C1CC1O
AtomNum,"There is a molecule with 17 carbon atoms, 3 nitrogen atoms, and 1 chlorine atom.",Cn1nc(-c2ccc(C[NH3+])cc2)cc1-c1ccc(Cl)cc1
BondNum,"The molecule contains 10 single bonds, 1 double bond, 5 rotatable bonds, and 23 aromatic bonds.",COCC(C)n1c(SC2c3ccccc3-c3ccccc32)nc2ccccc2c1=O
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 2 amide groups, 1 nitro group, 1 halo group, 2 thioether groups, and 2 sulfide groups.",O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCSCc1ccc(Br)s1
AddComponent,Add a benzene ring to the molecule CC1OCCC2=C1Cc1ccccc12.,CC1(c2ccccc2)OCCC2=C1Cc1ccccc12
SubComponent,Modify the molecule CNc1cncc(Oc2ccc(Cl)cc2C)c1 by substituting a halo with a nitrile.,CNc1cncc(Oc2ccc(C#N)cc2C)c1
DelComponent,Modify the molecule amide by removing a COc1ccc(NC(=O)CCc2nc(=O)c3ccccc3[nH]2)cc1OC(F)F.,COc1ccc(Cc2nc(=O)c3ccccc3[nH]2)cc1OC(F)F
LogP,Please optimize the molecule COc1csc(C(O)c2cccnc2)c1C(=O)[O-] to have a higher LogP value.,COc1csc(C(Br)c2cccnc2)c1C(=O)[O-]
MR,Modify the molecule Cc1cc(N2CCc3ccccc3CC2)ccc1CBr to decrease its MR value.,Cc1cc(N2CCc3ccccc3CC2)ccc1CO
QED,Modify the molecule CC(C)(C)c1cc(NC(=O)CSc2nncn2-c2ccccc2)n(-c2ccccc2)n1 to increase its QED value.,CC(C)(C)c1cc(Sc2nncn2-c2ccccc2)n(-c2ccccc2)n1
AtomNum,"Please generate a molecule consisting 21 carbon atoms, and 3 nitrogen atoms.",c1ccc(N(c2ccccc2)c2nccn2-c2ccccc2)cc1
BondNum,"Please generate a molecule composed of 19 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",C[NH+](C)C1CCOC2(CCN(C(=O)c3cc(F)ncc3F)CC2)C1
FunctionalGroup,The molecule contains and 2 amine groups.,CCCNc1cc(NC(C)c2cccnc2)cc[nH+]1
AddComponent,Please add a carboxyl to the molecule O=C(COCCOCC(=O)NCCc1ccccc1)NCCc1ccccc1.,O=C(COCCOCC(=O)NCCc1ccccc1C(=O)O)NCCc1ccccc1
SubComponent,Please substitute a halo in the molecule CCOC(=O)C=Cc1ccc(NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 with a thiol.,CCOC(=O)C=Cc1ccc(NC(=O)N2CCC(C(=O)NCc3ccc(S)cc3)CC2)cc1
DelComponent,Remove a CCOc1ccccc1NS(=O)(=O)c1ncccc1NN from the molecule amine.,CCOc1ccccc1NS(=O)(=O)c1ncccc1N
LogP,Modify the molecule C=CC=c1c2c([nH]c1=CC)NCCC2 to decrease its LogP value.,C=C(C=c1c2c([nH]c1=CC)NCCC2)CC=O
MR,Modify the molecule CCOc1cccc(C[NH+]2CCC(C(F)(F)F)CC2)c1O to increase its MR value.,CCOc1cccc(C[NH+]2CCC(C(F)(F)F)CC2O)c1O
QED,Modify the molecule C[NH+]=C(NCc1ccnc(OCC2CC2)c1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 to decrease its QED value.,C[NH+]=C(NCc1ccnc(OC(C(=O)O)C2CC2)c1)N1CC[NH+](CC(=O)N2CCCCC2)CC1
AtomNum,"There is a molecule composed of 33 carbon atoms, 5 oxygen atoms, 3 nitrogen atoms, and 1 fluorine atom.",COC(=O)Cc1ccc(OCCC2Oc3ccccc3N(CCCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",COC(=O)c1c(O)cc(C)c(N=Nc2ccc(C(C)C)cc2)c1C
FunctionalGroup,Please generate a molecule composed of and 1 benzene ring group.,C=C(COCCCc1ccccc1)OCC
AddComponent,Modify the molecule [NH3+]C(CCNS(=O)(=O)c1ccc(N2CCOCC2)cc1)C(=O)[O-] by adding a benzene ring.,[NH3+]C(CCNS(=O)(=O)c1ccc(N2CCOCC2c2ccccc2)cc1)C(=O)[O-]
SubComponent,Substitute a halo in the molecule C=CCCC(C#CC)=CI with a nitrile.,C=CCCC(C#CC)=CC#N
DelComponent,Remove a O=C(NC1CCN(C(=O)c2ccc(Cl)cc2)CC1)N1CCN(c2ccccc2)CC1 from the molecule benzene ring.,O=C(Cl)N1CCC(NC(=O)N2CCN(c3ccccc3)CC2)CC1
LogP,Modify the molecule COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1C(F)(F)F to decrease its LogP value.,COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1C(F)F
MR,Please modify the molecule Cc1nn(C)cc1NC(=O)C[NH+]1CC(O)C(Cc2ccccn2)C1 to decrease its MR value.,Cc1nn(C)cc1NC(=O)C[NH+]1CCC(Cc2ccccn2)C1
QED,Modify the molecule CC1CCN(S(=O)(=O)C2COC2)CC1(C)C to have a higher QED value.,CC1CCN(S(=O)(=O)C2COC2)CC1(C)Cc1ccccc1
AtomNum,"The molecule consists of 16 carbon atoms, 1 oxygen atom, and 6 nitrogen atoms.",CCN(CC)c1ncc(C(=O)n2cnc3ccccc32)c(N)n1
BondNum,"Please generate a molecule consisting 16 single bonds, 8 rotatable bonds, and 11 aromatic bonds.",C[NH+](CCc1nc(-c2ccccc2)no1)CC(O)C[NH+]1CCOCC1
FunctionalGroup,Please generate a molecule with and 1 sulfide group.,CCCCCCCc1nn2c([O-])cc(=O)nc2s1
AddComponent,Add a benzene ring to the molecule CCC(Cc1cccc(Br)c1)C(=O)NCCCN1CC[NH2+]CC1.,CCC(Cc1cccc(Br)c1)C(=O)NCC(CN1CC[NH2+]CC1)c1ccccc1
SubComponent,Modify the molecule nitrile by substituting a N#Cc1ccc(S(=O)(=O)NCCCN2CCN(CC(=O)[O-])C(=O)C2=O)cc1 with a nitro.,ONc1ccc(S(=O)(=O)NCCCN2CCN(CC(=O)[O-])C(=O)C2=O)cc1
DelComponent,Please remove a halo from the molecule CC1CC(N(C)c2nc(Br)cs2)C(C)O1.,CC1CC(N(C)c2nccs2)C(C)O1
LogP,Optimize the molecule CN(Cc1ccc(Cl)cc1)c1ncc(C#N)s1 to have a higher LogP value.,N#Cc1cnc(N(Cc2ccccc2)Cc2ccc(Cl)cc2)s1
MR,Modify the molecule CC(C)C[NH2+]CC(C)NCc1csc2ccccc12 to have a lower MR value.,CC(C)C[NH2+]CC(C)Cc1csc2ccccc12
QED,Optimize the molecule CSCC(C)(O)C[NH2+]C1CCC12CCCCC2 to have a lower QED value.,CSCC(C)C[NH2+]C1CCC12CCCCC2
AtomNum,"The molecule has 20 carbon atoms, 4 oxygen atoms, and 2 nitrogen atoms.",CN(C(=O)Cc1ccc(NC(=O)C2COCCO2)cc1)c1ccccc1
BondNum,"The molecule consists of 11 single bonds, 4 double bonds, 1 rotatable bond, and 6 aromatic bonds.",COC(=O)c1ccc2c(c1)N(Cl)C=C1NC=[NH+]C=C12
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, and 1 amine group.",CCOP(C)(=O)NC(C)c1ccccc1
AddComponent,Add a carboxyl to the molecule O=C([O-])c1cc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]c-2cc1=O.,O=C(O)c1cc(-c2nc3cc(C(=O)[O-])c(=O)cc-3[nH]c2-c2ccc(F)cc2)ccc1F
SubComponent,Please substitute a hydroxyl in the molecule CC[NH+](CC)CC(O)CNc1cc(C)ccc1C with a thiol.,CC[NH+](CC)CC(S)CNc1cc(C)ccc1C
DelComponent,Modify the molecule CC1(C)CC(=O)c2c([nH]c(-c3ccnc(NC4CCC4)c3)c2Nc2ccccc2)C1 by removing a amine.,CC1(C)CC(=O)c2c([nH]c(-c3ccnc(C4CCC4)c3)c2Nc2ccccc2)C1
LogP,Modify the molecule CCC([NH3+])C(Oc1ccccc1Br)c1cccc(OC)c1 to have a lower LogP value.,CCC([NH3+])C(Oc1ccccc1)c1cccc(OC)c1
MR,Modify the molecule COCC(O)CCCc1ccc2c(c1)CCO2 to have a higher MR value.,COCC(CCCc1ccc2c(c1)CCO2)NO
QED,Please modify the molecule O=C(C=Cc1cnc2ccccc2n1)NCc1cccc(F)c1 to decrease its QED value.,O=C(C=Cc1cnc2ccccc2n1)NCc1ccccc1
AtomNum,"Please generate a molecule composed of 9 carbon atoms, 2 oxygen atoms, 2 nitrogen atoms, and 1 iodine atom.",COC(=O)c1cccn2cnc(I)c12
BondNum,"The molecule contains 9 single bonds, 2 rotatable bonds, and 22 aromatic bonds.",Cc1ccc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Cl)cc2-3)cn1
FunctionalGroup,"The molecule is composed of 2 benzene ring groups, 1 amide group, and 1 halo group.",CC(C)OCc1ccccc1CNC(=O)COc1cccc(Br)c1
AddComponent,Add a hydroxyl to the molecule CN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc21.,CN1C(=O)C(C)(C)C(O)Oc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc21
SubComponent,Please substitute a CC(C)CC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C(=O)NC(CCCC[NH3+])C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)[O-])C(C)C)C(C)C in the molecule hydroxyl with a carboxyl.,CC(C)CC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C(=O)NC(CCCC[NH3+])C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(=O)NC(Cc1ccc(C(=O)[OH])cc1)C(=O)NC(CO)C(=O)NC(C(=O)[O-])C(C)C)C(C)C
DelComponent,Modify the molecule amide by removing a CCC(=O)CCc1cccc(-c2ccc(O)c3c2CC2CC4C([NH+](C)C)C(=O)C(C(N)=O)=C([O-])C4(O)C(=O)C2=C3[O-])c1.,CCC(=O)CCc1cccc(-c2ccc(O)c3c2CC2CC4C([NH+](C)C)C(=O)C([O-])C4(O)C(=O)C2=C3[O-])c1
LogP,Please optimize the molecule CC(C(=O)Nc1cc(N)ccc1F)[NH+](CCO)C1CC1 to have a lower LogP value.,CC(C(=O)Nc1cc(N)ccc1C(=O)[OH])[NH+](CCO)C1CC1
MR,Optimize the molecule SC(c1ccccc1)C(Cl)Cl to have a lower MR value.,ONC(Cl)C(S)c1ccccc1
QED,Optimize the molecule CNC(=O)CNC(=O)Cn1nc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)cc1C to have a lower QED value.,CNC(=O)CNC(=O)Cn1nc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCC(N)C3)c2)cc1C
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",CC(NS(=O)(=O)c1cccc2c1OC(C)(C)C2)c1ccc(Cl)cn1
BondNum,"The molecule consists of 14 single bonds, 1 double bond, 2 rotatable bonds, and 6 aromatic bonds.",COc1c2c(c(OC)c3c1OC(C)CC3=O)CCO2
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 aldehyde group, 1 halo group, and 1 nitrile group.",Cc1cc(F)c(C=O)c(C#N)c1
AddComponent,Modify the molecule O=C(NC1CCN(C(=O)NCc2ccccn2)CC1)c1ccccc1C(F)(F)F by adding a benzene ring.,O=C(NC1CCN(C(=O)NCc2ccccn2)CC1)c1ccc(-c2ccccc2)cc1C(F)(F)F
SubComponent,Please substitute a Cc1ccsc1S(=O)(=O)Nc1ccc(Cl)c2cc(C(N)=S)[nH]c12 in the molecule halo with a thiol.,Cc1ccsc1S(=O)(=O)Nc1ccc(S)c2cc(C(N)=S)[nH]c12
DelComponent,Modify the molecule halo by removing a O=C(NCc1nn[n-]n1)c1ccc(F)cc1Cl.,O=C(NCc1nn[n-]n1)c1ccccc1Cl
LogP,Modify the molecule COc1cc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)C(C2CCCCC2)C(NC(=O)OC(C)(C)C)C(C)O)cc(OC)c1 to increase its LogP value.,CCC(NC(=O)OC(C)(C)C)C(C1CCCCC1)N(Cc1cc(OC)cc(OC)c1)C(=O)OCC1c2ccccc2-c2ccccc21
MR,Modify the molecule [NH3+]C1CCCC(CCC(=O)NN2CCOCC2)C1 to have a higher MR value.,NC1CC([NH3+])CC(CCC(=O)NN2CCOCC2)C1
QED,Modify the molecule COC(=O)CCn1c(=O)oc2cc(Br)c(Cl)cc21 to increase its QED value.,COC(=O)CCn1c(=O)oc2cc(Br)ccc21
AtomNum,"Please generate a molecule consisting 12 carbon atoms, 3 oxygen atoms, and 1 sulfur atom.",COc1ccc(SCC(C)=CC(=O)[O-])cc1
BondNum,"The molecule has 13 single bonds, 1 double bond, and 9 rotatable bonds.",CCCCC(CC)C[NH2+]CC(N)C(N)=O
FunctionalGroup,"The molecule has 2 hydroxyl groups, and 2 ester groups.",CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(OC(=O)CC[NH2+]CCCc3cc4c5c(c3)c(=O)c(C(=O)[O-])cn5CC4)C(C)O2)C(C)C(OC2OC(C)CC([NH+](C)C)C2O)C(C)(O)CC(C)C[NH+](C)C(C)C2OC(=O)OC12C
AddComponent,Please add a carboxyl to the molecule COc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(O)c2)CC1.,COc1ccc(C(=O)O)cc1N1CCN(C(=O)C(=O)Nc2cccc(O)c2)CC1
SubComponent,Modify the molecule O=C(c1ccc(I)cc1)N1CCC2C[NH2+]CC21 by substituting a halo with a hydroxyl.,O=C(c1ccc(O)cc1)N1CCC2C[NH2+]CC21
DelComponent,Remove a halo from the molecule CC(=O)c1ccc2c(c1)nc1c(=O)n(CCCBr)c(=O)nc-1n2C.,CCCn1c(=O)nc2n(C)c3ccc(C(C)=O)cc3nc-2c1=O
LogP,Optimize the molecule CC(C)N(CC1CCC[NH2+]1)C(N)=O to have a lower LogP value.,CC(CO)N(CC1CCC[NH2+]1)C(N)=O
MR,Modify the molecule O=[N+]([O-])OC1C(O[N+](=O)[O-])C([N+](=O)[O-])C(O[N+](=O)[O-])C(O[N+](=O)[O-])C1[N+](=O)[O-] to have a higher MR value.,NC1(O[N+](=O)[O-])C(O[N+](=O)[O-])C([N+](=O)[O-])C(O[N+](=O)[O-])C(O[N+](=O)[O-])C1[N+](=O)[O-]
QED,Please modify the molecule COCC(C)NC(=O)CN(C)CC1CCCC[NH2+]1 to increase its QED value.,CC(COCc1ccccc1)NC(=O)CN(C)CC1CCCC[NH2+]1
AtomNum,"There is a molecule composed of 20 carbon atoms, 1 oxygen atom, 6 nitrogen atoms, and 1 chlorine atom.",CCNC(NCCc1ccc(OC)cc1Cl)=[NH+]CCc1nnc2ccccn12
BondNum,"There is a molecule consisting of 16 single bonds, 2 double bonds, 3 rotatable bonds, and 6 aromatic bonds.",O=C1CCC2(CCCN(C(=O)CCc3cccc(Cl)c3)C2)O1
FunctionalGroup,"There is a molecule with 3 benzene ring groups, 1 nitro group, 1 thioether group, and 1 sulfide group.",CCN(Cc1ccccc1)c1ccc(C=Nn2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1
AddComponent,Modify the molecule [NH3+]CCCCC(NC(=O)CCC([NH3+])C(=O)NC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(=O)[O-] by adding a amine.,NC1(O)C(O)C(NC(=O)C([NH3+])CCC(=O)NC(CCCC[NH3+])C(=O)[O-])OC1n1ccc(=O)[nH]c1=O
SubComponent,Modify the molecule thiol by substituting a CCCc1cc(C(=O)NC(CS)Cc2ccccc2)n(Cc2ccc(C(=O)[O-])cc2)n1 with a carboxyl.,CCCc1cc(C(=O)NC(CC(=O)[OH])Cc2ccccc2)n(Cc2ccc(C(=O)[O-])cc2)n1
DelComponent,Please remove a CN(Cc1ccco1)c1cc(C(=O)[O-])ccc1N from the molecule amine.,CN(Cc1ccco1)c1cccc(C(=O)[O-])c1
LogP,Modify the molecule Cc1cc2cc(CC(C)O)ccc2s1 to decrease its LogP value.,Cc1cc2cc(CC(C)O)cc(O)c2s1
MR,Optimize the molecule CC(NC(=O)c1cc(CO)on1)C(C)(C)O to have a lower MR value.,Cc1cc(C(=O)NC(C)C(C)(C)O)no1
QED,Optimize the molecule COCCN(CCO)C(=O)C(NC(N)=O)C(C)C to have a higher QED value.,COCCN(CCF)C(=O)C(NC(N)=O)C(C)C
AtomNum,"The molecule consists of 49 carbon atoms, and 1 nitrogen atom.",Cc1cccc(N(c2ccc3c(c2)C(C)(C)c2ccc4ccccc4c2-3)c2ccc3c4c(ccc3c2)-c2ccc3ccccc3c2C4(C)C)c1
BondNum,"Please generate a molecule with 27 single bonds, 1 double bond, 7 rotatable bonds, and 18 aromatic bonds.",CC(C)(C)OC(=O)NC1CCCC12CCN(c1cc(OCc3ccccc3)c(Sc3cccc(Cl)c3Cl)nc1Br)CC2
FunctionalGroup,"There is a molecule with 1 benzene ring group, 1 amide group, and 1 sulfide group.",COc1ccccc1OC(C)C(=O)Nc1nncs1
AddComponent,Modify the molecule Cc1ccc(-c2cccc(COc3ccc4cnccc4c3)c2)cc1C(=O)[O-] by adding a hydroxyl.,Cc1ccc(-c2cccc(COc3cc4ccncc4cc3O)c2)cc1C(=O)[O-]
SubComponent,Please substitute a halo in the molecule COc1cc(NCC2CCC[NH2+]2)c(Br)cc1Br with a thiol.,COc1cc(NCC2CCC[NH2+]2)c(S)cc1Br
DelComponent,Please remove a CCCCc1ccc(C(NC(=O)COc2ccc(OC)cc2)c2cccs2)cc1 from the molecule benzene ring.,CCCCC(NC(=O)COc1ccc(OC)cc1)c1cccs1
LogP,Modify the molecule O=C([O-])CCCC(=O)Nc1ccc(C2OC(CSc3ncccn3)CC(c3ccc(CO)cc3)O2)cc1 to have a higher LogP value.,Cc1ccc(C2CC(CSc3ncccn3)OC(c3ccc(NC(=O)CCCC(=O)[O-])cc3)O2)cc1
MR,Modify the molecule COCCNc1nc(-c2ccc(Cl)cc2)no1 to have a higher MR value.,COCCNc1nc(-c2ccc(Cl)c(-c3ccccc3)c2)no1
QED,Modify the molecule Cc1cc(C[NH3+])c(C)c(N2CCOCC2)c1 to decrease its QED value.,Cc1cc(C[NH3+])c(C)c(N2CCOC(O)C2)c1
AtomNum,"The molecule consists of 15 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCOC(=O)c1cccc(NC2CC(OCC)C2)c1N
BondNum,"The molecule consists of 6 single bonds, 1 double bond, 4 rotatable bonds, and 11 aromatic bonds.",COc1ccccc1CN=Cc1ccnn1C
FunctionalGroup,The molecule consists of and 1 amide group.,CCN1C(=O)C2(CC1C)CN(C(=O)OC(C)(C)C)CCO2
AddComponent,Modify the molecule Cc1ccc(N2CCNc3ccc(C#N)cc32)cc1 by adding a nitrile.,Cc1ccc(N2CCNc3ccc(C#N)cc32)cc1C#N
SubComponent,Please substitute a halo in the molecule COc1ccc(Oc2ccc(CN(Cc3cc(F)cc(F)c3)c3c(Br)cc(CC(=O)[O-])cc3Br)cc2)c(OC)c1 with a hydroxyl.,COc1ccc(Oc2ccc(CN(Cc3cc(O)cc(F)c3)c3c(Br)cc(CC(=O)[O-])cc3Br)cc2)c(OC)c1
DelComponent,Remove a hydroxyl from the molecule O=C1c2ccccc2C(=O)c2c([O-])c(O)cc([O-])c21.,O=C1c2ccccc2C(=O)c2c([O-])ccc([O-])c21
LogP,Optimize the molecule CC1CC(Oc2ccc(-c3ccccc3)cc2)C[N+]1(C(=O)[O-])C(=O)CCS to have a lower LogP value.,CC1CC(Oc2ccc(-c3ccccc3)cc2)C[N+]1(C(=O)[O-])C(=O)CCO
MR,Modify the molecule C[NH+]1CCC2(CCCc3cc(O)ccc32)C1 to increase its MR value.,CC(=O)c1ccc2c(c1)CCCC21CC[NH+](C)C1
QED,Optimize the molecule CCc1ccc(C(C)NC(=O)COC(=O)C=Cc2ccc(Br)o2)cc1 to have a lower QED value.,CCc1ccc(C(C)NC(=O)COC(=O)C=Cc2ccc(S)o2)cc1
AtomNum,"The molecule contains 11 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",CC1CC(O)C[NH+](C2CCCC2O)C1
BondNum,"There is a molecule composed of 18 single bonds, 1 double bond, 3 rotatable bonds, and 5 aromatic bonds.",CC(C(=O)N1CCCCCC1c1ncon1)[NH+]1CCSCC1
FunctionalGroup,"The molecule contains 1 hydroxyl group, 1 amide group, and 2 amine groups.",CCC1(CC)CCN(C(=O)CC(N)=[NH+]O)C1
AddComponent,Please add a carboxyl to the molecule CC(C)C(C)NC(=O)C[NH2+]Cc1ccn(C)n1.,CC(C)C(CC(=O)O)NC(=O)C[NH2+]Cc1ccn(C)n1
SubComponent,Please substitute a hydroxyl in the molecule C#[N+]C(c1ccccc1OC)c1ccc(C)cc1SO with a aldehyde.,CC(=O)Sc1cc(C)ccc1C([N+]#C)c1ccccc1OC
DelComponent,Please remove a halo from the molecule COc1ccc(NC(=O)N(C)CCOc2ccccc2F)cc1.,COc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1
LogP,Optimize the molecule CC(C(=O)c1cccc(Cl)c1)[NH+]1CCCC1C(N)=O to have a lower LogP value.,CC(C(=O)c1cc(Cl)ccc1O)[NH+]1CCCC1C(N)=O
MR,Optimize the molecule NC(=O)CSc1ccccc1NC(=O)C[NH+]1CCCC1Cc1ccccc1Cl to have a lower MR value.,O=C(C[NH+]1CCCC1Cc1ccccc1Cl)Nc1ccccc1S
QED,Optimize the molecule COc1ccc(C2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc34)s2)cc1 to have a lower QED value.,COc1ccc(C2C(C(=O)C=Cc3ccccc3)=C(C(=O)[OH])C(=O)N2c2nnc(SCc3cccc4ccccc34)s2)cc1
AtomNum,"The molecule consists of 13 carbon atoms, 4 oxygen atoms, and 1 nitrogen atom.",COc1cccc(C(O)C[NH2+]C(C)(CO)CO)c1
BondNum,"The molecule has 7 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",CCOC(=O)c1nccc(-c2ccc(C)cc2C)n1
FunctionalGroup,"There is a molecule with 2 benzene ring groups, 1 amide group, 2 amine groups, and 1 halo group.",CCCCN(Cc1ccccc1F)C(=O)C1CC(c2cccc(OC)c2)NN1
AddComponent,Add a amine to the molecule CC(CN)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1.,CC(C(N)N)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1
SubComponent,Modify the molecule [N-]=[N+]=CC(=O)c1cc2ccccc2c2cc(Br)ccc12 by substituting a halo with a carboxyl.,[N-]=[N+]=CC(=O)c1cc2ccccc2c2cc(C(=O)[OH])ccc12
DelComponent,Modify the molecule CCc1oc2nc(-c3ccsc3)nn2c1C(=O)NCc1ccccc1 by removing a benzene ring.,CCc1oc2nc(-c3ccsc3)nn2c1C(=O)NC
LogP,Modify the molecule CCOC(=O)C(C(=O)OCC)C1CCCc2[nH+]c(C(C)(C)C)n(Cc3ccc(Cl)cc3)c21 to decrease its LogP value.,CCOC(=O)C(C(=O)OCC)C1CCCc2[nH+]c(C(C)(C)C)n(Cc3ccc(S)cc3)c21
MR,Optimize the molecule O=S(=O)(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cccc(Cl)c1Cl to have a lower MR value.,O=S(=O)(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccccc1Cl
QED,Please modify the molecule CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)C[NH+]2CCC(N3C(=O)OCc4ccccc43)CC2)C1 to increase its QED value.,CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCC[NH+]2CCC(N3C(=O)OCc4ccccc43)CC2)C1
AtomNum,"The molecule is composed of 14 carbon atoms, 1 oxygen atom, and 1 nitrogen atom.",OCc1ccn(CC=Cc2ccccc2)c1
BondNum,"Please generate a molecule composed of 19 single bonds, 1 double bond, 6 rotatable bonds, and 22 aromatic bonds.",CC(C)(C)C(C(=O)[O-])C1(O)CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 ester group, 1 nitro group, 1 halo group, and 1 nitrile group.",CCOC(=O)c1cc(Br)c([N+](=O)[O-])cc1C#N
AddComponent,Modify the molecule COc1ccc(C(C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 by adding a hydroxyl.,COc1ccc(C(C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1O
SubComponent,Modify the molecule halo by substituting a O=C(CCCc1ccccc1Cl)N1CCC(C(=O)N2CCOCC2)CC1 with a nitro.,ONc1ccccc1CCCC(=O)N1CCC(C(=O)N2CCOCC2)CC1
DelComponent,Remove a CC(C)(C)CNC(=O)c1cccc(C=CC(=O)[O-])c1 from the molecule benzene ring.,CC(C)(C)CNC(=O)C=CC(=O)[O-]
LogP,Modify the molecule CC(C)SCC(=O)Nc1ccc(F)cc1C(=O)[O-] to have a higher LogP value.,CC(C)Sc1ccc(F)cc1C(=O)[O-]
MR,Please modify the molecule COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C1CC(c1ccc(OC(=O)C(=Cc3ccc(Cl)cc3)c3ccc(Cl)cc3)cc1)C2C(=O)OC to decrease its MR value.,COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C1CC(c1ccc(OC(=O)C(=Cc3ccccc3)c3ccc(Cl)cc3)cc1)C2C(=O)OC
QED,Please optimize the molecule COc1cc(N=Nc2cccc(S(=O)(=O)[O-])c2)ccc1Nc1nc(Nc2ccc(N=Nc3ccccc3S(=O)(=O)[O-])cc2OCCCS(=O)(=O)[O-])nc(N2CC2S(=O)(=O)[O-])n1 to have a higher QED value.,COc1cc(N=Nc2cccc(S(=O)(=O)[O-])c2)ccc1Nc1nc(-c2ccc(N=Nc3ccccc3S(=O)(=O)[O-])cc2OCCCS(=O)(=O)[O-])nc(N2CC2S(=O)(=O)[O-])n1
AtomNum,"There is a molecule consisting of 12 carbon atoms, 3 oxygen atoms, 1 nitrogen atom, 1 sulfur atom, and 1 bromine atom.",Cc1c(Br)cc(CO)cc1S(=O)(=O)NC(C)(C)C
BondNum,"Please generate a molecule composed of 10 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",[NH3+]CC1CCCC1C(=O)Cc1ccccn1
FunctionalGroup,The molecule is composed of and 1 benzene ring group.,CCOc1cc(OC)ccc1C(C[NH3+])N1CCc2ccccc2C1
AddComponent,Modify the molecule COCCOCCOC(=O)SC by adding a hydroxyl.,COCC(O)OCCOC(=O)SC
SubComponent,Please substitute a COc1ccc(N2CCN(C(=O)C(C)c3c(C)[nH]c4cc(Cl)ccc34)CC2)cc1 in the molecule halo with a thiol.,COc1ccc(N2CCN(C(=O)C(C)c3c(C)[nH]c4cc(S)ccc34)CC2)cc1
DelComponent,Please remove a halo from the molecule CC(C)COC(=O)NCCc1cccc(F)c1.,CC(C)COC(=O)NCCc1ccccc1
LogP,Modify the molecule CCC1(CO)CC[NH+](CCC(=O)N(C)CCC#N)CC1 to increase its LogP value.,CCC1(CO)CC[NH+](CCC(=O)N(C)CCC#N)C(S)C1
MR,Modify the molecule CC1(C)CC(O)CCN1C(=O)Cc1cc[nH]c1 to increase its MR value.,CC1(C)CC(C#N)CCN1C(=O)Cc1cc[nH]c1
QED,Please modify the molecule CC(=O)Nc1ccc(C2=C([NH+]3CCN(CCO)CC3)C(=O)N(c3ccccc3C)C2=O)cc1 to increase its QED value.,CC(=O)Nc1ccc(C2=C([NH+]3CCN(CCC#N)CC3)C(=O)N(c3ccccc3C)C2=O)cc1
AtomNum,"Please generate a molecule consisting 14 carbon atoms, 3 oxygen atoms, and 3 nitrogen atoms.",COc1ccc(N2CCCC(C[NH2+]CC(=O)[O-])C2)nc1
BondNum,"There is a molecule composed of 13 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
FunctionalGroup,There is a molecule consisting of and 1 amine group.,CCNc1ncnc(N(CC)Cc2ccccn2)c1C
AddComponent,Add a benzene ring to the molecule CSC1OC(CO)CC1C.,CC1CC(CO)OC1SCc1ccccc1
SubComponent,Substitute a O=C(Cc1ccc(Cl)cc1)NCCCc1cccc(O)c1 in the molecule halo with a aldehyde.,CC(=O)c1ccc(CC(=O)NCCCc2cccc(O)c2)cc1
DelComponent,Modify the molecule halo by removing a O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2[nH]1.,O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[nH]1
LogP,Please modify the molecule CCOc1cc2c(cc1NC(=O)c1sc3cc(F)ccc3c1Cl)OC(C)C2 to decrease its LogP value.,CCOc1cc2c(cc1-c1(Cl)c3ccc(F)cc3s-1)OC(C)C2
MR,Please modify the molecule O=C(OCc1cccs1)c1ccc(Cl)nc1Cl to increase its MR value.,O=CCc1cc(Cl)nc(Cl)c1C(=O)OCc1cccs1
QED,Modify the molecule C#CCOc1ccccc1NCc1ccc(C2CC2C)o1 to decrease its QED value.,C#CCOc1ccccc1NCc1ccc(C2C(C)C2C(=O)O)o1
AtomNum,"The molecule is composed of 13 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",CCOC(C)CN1CC(=O)NC(CC(C)C)C1=O
BondNum,"The molecule contains 12 single bonds, 2 double bonds, 1 rotatable bond, and 12 aromatic bonds.",O=C1CC2CCc3ccc(F)cc3C2=NN1c1ccccc1O
FunctionalGroup,"The molecule contains 1 benzene ring group, 2 amine groups, and 1 sulfone group.",Nc1ccccc1CS(=O)(=O)NCCCCn1ccnc1
AddComponent,Please add a carboxyl to the molecule Cc1cc(C)c(P(=O)(c2cccc(-c3cccc(P(=O)(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)c3)c2)c2c(C)cc(C)cc2C)c(C)c1.,Cc1cc(C)c(P(=O)(c2cccc(-c3cccc(P(=O)(c4c(C)cc(C)cc4C)c4c(C)cc(C)c(C(=O)O)c4C)c3)c2)c2c(C)cc(C)cc2C)c(C)c1
SubComponent,Modify the molecule CC1CCN(C(=O)c2ccc(Br)cc2F)CC1[NH3+] by substituting a halo with a thiol.,CC1CCN(C(=O)c2ccc(S)cc2F)CC1[NH3+]
DelComponent,Modify the molecule Cc1ccc(CC2c3ccccc3Sc3ccccc32)cc1 by removing a benzene ring.,CCC1c2ccccc2Sc2ccccc21
LogP,Optimize the molecule CCc1ccc(-n2c(=O)nc3[nH]c(N4CCSCC4)ncc-3c2=O)cc1 to have a lower LogP value.,CCn1c(=O)nc2[nH]c(N3CCSCC3)ncc-2c1=O
MR,Please optimize the molecule CC(C(O)NC(=O)OCc1ccccc1)N(C)C(=O)[O-] to have a lower MR value.,CC(CNC(=O)OCc1ccccc1)N(C)C(=O)[O-]
QED,Optimize the molecule Fc1cccc2c1ccn2CC[NH2+]C1CC1 to have a lower QED value.,c1ccc2c(c1)ccn2CC[NH2+]C1CC1
AtomNum,"There is a molecule with 18 carbon atoms, 3 oxygen atoms, 2 nitrogen atoms, and 3 fluorine atoms.",CC(=O)OCC[NH2+]CC(C(C)C)N(C(C)=O)c1cccc(C(F)(F)F)c1
BondNum,"The molecule has 31 single bonds, 7 double bonds, 13 rotatable bonds, and 11 aromatic bonds.",CC(C)(C)OC(=O)N[NH+]=CN1CCCC(CNC(=O)CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)[O-])C2CC2)C1
FunctionalGroup,The molecule contains and 1 halo group.,CC(C)CCOC(C)OC1c2ccccc2CC1Br
AddComponent,Please add a hydroxyl to the molecule C[NH+](C)CC=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc3c2SCC3)c1.,C[NH+](CO)CC=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc3c2SCC3)c1
SubComponent,Please substitute a halo in the molecule Nc1cc(F)c(F)cc1C(=O)NCCCn1ccnn1 with a nitrile.,N#Cc1cc(N)c(C(=O)NCCCn2ccnn2)cc1F
DelComponent,Modify the molecule benzene ring by removing a CC1(c2ccccc2)OOC(C)(C2CC3CCCC(C3)C2)O1.,CC1OOC(C)(C2CC3CCCC(C3)C2)O1
LogP,Modify the molecule COCCNC(=S)NCCCn1nc(C)cc1C to have a higher LogP value.,COCCC(=S)NCCCn1nc(C)cc1C
MR,Please modify the molecule CCOC(=O)COc1cc(Br)c(C=C2SC(Nc3ccc(C)cc3)=[NH+]C2=O)cc1OCC to decrease its MR value.,CCOC(=O)COc1cc(NO)c(C=C2SC(Nc3ccc(C)cc3)=[NH+]C2=O)cc1OCC
QED,Modify the molecule Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)s1 to have a higher QED value.,Cc1ccccc1OCc1nn(-c2ccc(C(=O)NC3CCCCC3)cc2)-s1
AtomNum,"There is a molecule with 12 carbon atoms, 2 oxygen atoms, 1 nitrogen atom, and 1 sulfur atom.",CC(C)Cc1nc(CC(C)C)c(C(=O)[O-])s1
BondNum,"Please generate a molecule with 11 single bonds, 6 rotatable bonds, and 16 aromatic bonds.",CCC(COC)n1c(OC)nc2c(-c3ccc(C)nc3C)ccnc21
FunctionalGroup,The molecule consists of and 1 ester group.,CCCCCCCOC(C)CC(C)([NH2+]C1CC1)C(=O)OC
AddComponent,Please add a benzene ring to the molecule COc1ccc(CN(C)CCl)c(C)c1C.,Cc1c(CN(C)CCl)ccc(OCc2ccccc2)c1C
SubComponent,Please substitute a O=C1COC2(CC[NH2+]CC2)CN1c1cncc(C(F)(F)F)c1 in the molecule halo with a hydroxyl.,O=C1COC2(CC[NH2+]CC2)CN1c1cncc(C(O)(F)F)c1
DelComponent,Modify the molecule CC1(c2cc(CCO)cc(C(c3cc(CCO)cc(C4(C)CCCCC4)c3O)C3CCSC3)c2O)CCCCC1 by removing a hydroxyl.,CCc1cc(C(c2cc(CCO)cc(C3(C)CCCCC3)c2O)C2CCSC2)c(O)c(C2(C)CCCCC2)c1
LogP,Please modify the molecule CC(C)CC(NC(=O)C[NH+]1CCN(c2ccccc2O)CC1)c1ccccc1 to increase its LogP value.,CC(C)CC(c1ccccc1)[NH+]1CCN(c2ccccc2O)CC1
MR,Modify the molecule OCCc1ccc(Cc2cc(C3OC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)c(OCc3ccccc3)cc2Cl)cc1 to have a higher MR value.,SCCc1ccc(Cc2cc(C3OC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)c(OCc3ccccc3)cc2Cl)cc1
QED,Modify the molecule CCCCCCCCCCCCCCCCCCCCCCC(O)[Si](C)(C)C to have a lower QED value.,CCCCCCCCCCCCCCCCCCCCCCC(S)[Si](C)(C)C
AtomNum,"Please generate a molecule consisting 17 carbon atoms, 3 oxygen atoms, and 5 nitrogen atoms.",Cc1nc(C2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)no1
BondNum,"Please generate a molecule with 19 single bonds, 5 double bonds, 3 rotatable bonds, and 5 aromatic bonds.",CC1=C(CC(=O)[O-])C2=CC(O)=C(Cl)CC2N1C(=O)c1ccc(C(F)(F)F)s1
FunctionalGroup,"The molecule has 1 benzene ring group, 1 ester group, and 1 halo group.",O=C1OC(=CBr)CCC1Oc1ccccc1
AddComponent,Add a carboxyl to the molecule CCCCCCOC(=O)C(=O)Cc1ccccc1.,CCC(CCCOC(=O)C(=O)Cc1ccccc1)C(=O)O
SubComponent,Modify the molecule C[NH2+]CC(C)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 by substituting a halo with a carboxyl.,C[NH2+]CC(C)C(=O)N(C)Cc1cccc(OC(F)(F)C(=O)[OH])c1
DelComponent,Please remove a amide from the molecule CCCC(=O)Nc1ccc(C(=O)OCC)cc1.,CCOC(=O)c1ccc(CC)cc1
LogP,Modify the molecule CNCc1[nH+]c(-c2ccncc2)cn1C to increase its LogP value.,CCc1[nH+]c(-c2ccncc2)cn1C
MR,Please modify the molecule Cc1ccc(CN(C)S(=O)(=O)c2cccc(N)c2)o1 to decrease its MR value.,Cc1ccc(CN(C)S(=O)(=O)c2ccccc2)o1
QED,Modify the molecule O=Nc1ccc2c(O)oc(O)c2c1 to have a lower QED value.,ONc1oc(O)c2cc(N=O)ccc12
AtomNum,"There is a molecule consisting of 15 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, 1 sulfur atom, and 1 chlorine atom.",Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc(=O)c2c1
BondNum,"Please generate a molecule consisting 11 single bonds, 1 double bond, 6 rotatable bonds, and 17 aromatic bonds.",Cc1cc(C)n(-c2cccc(NC(=O)NCCOc3ccc(Cl)cc3)c2)n1
FunctionalGroup,"The molecule is composed of 1 amide group, 1 amine group, 1 sulfide group, and 1 sulfone group.",Cc1nnsc1C(=O)N1CCC(CNS(=O)(=O)c2cccnc2)CC1
AddComponent,Add a benzene ring to the molecule COCCN1C(=O)CCC(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1C.,COCCN1C(=O)CCC(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2c2ccccc2)C1C
SubComponent,Substitute a hydroxyl in the molecule CC12C=CC(=O)C=C1CCC1C2CCC2(C)C(=CC(O)O)CCC12 with a nitrile.,CC12C=CC(=O)C=C1CCC1C2CCC2(C)C(=CC(O)C#N)CCC12
DelComponent,Please remove a amine from the molecule CNc1cc(Sc2n[nH]c(=O)n2C)nc(SC)n1.,CSc1nc(C)cc(Sc2n[nH]c(=O)n2C)n1
LogP,Please modify the molecule Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)NC4CCCCC4C)cc3C)CC2)c1 to decrease its LogP value.,Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)NCC(=O)NC3CCCCC3C)CC2)c1
MR,Modify the molecule O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccccc3)cc2)C1=O)c1ccc(Br)cc1 to have a higher MR value.,CC(=O)c1ccc(C(=O)CN2C(=O)SC(=Cc3ccc(OCc4ccccc4)cc3)C2=O)cc1
QED,Optimize the molecule CCC(CC#N)N1CCCCN1 to have a lower QED value.,CCC(CC#N)N1CCCC1
AtomNum,"There is a molecule composed of 16 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, and 1 sulfur atom.",C[NH+](Cc1ccc(O)cc1)Cc1cccc(C(N)=S)c1
BondNum,"There is a molecule consisting of 17 single bonds, 3 double bonds, 1 triple bond, 7 rotatable bonds, and 17 aromatic bonds.",N#Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(N4CCCC4)cc3)C2=O)cc1
FunctionalGroup,"Please generate a molecule consisting 1 benzene ring group, 1 amide group, 1 amine group, and 1 sulfone group.",Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3ccccc32)cc1
AddComponent,Please add a hydroxyl to the molecule CNC(=O)c1ccc(OC2CC2)cc1C#N.,CNC(=O)c1ccc(OC2(O)CC2)cc1C#N
SubComponent,Modify the molecule CC(NC(=O)CN(C)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1Cl by substituting a halo with a hydroxyl.,CC(NC(=O)CN(C)S(=O)(=O)c1cccs1)c1ccc(O)cc1Cl
DelComponent,Please remove a amine from the molecule Fc1ccc(NCc2cc(Br)c(Br)o2)c(I)c1.,Fc1ccc(Cc2cc(Br)c(Br)o2)c(I)c1
LogP,Modify the molecule CC(C)CC(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C([NH3+])CO)C(C)C)C(=O)NCC(=O)N1CCCC1C(=O)[O-] to decrease its LogP value.,CC(C)CC(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C([NH3+])CO)C(C)C)C(=O)NCC(=O)N1CCCC1(C(=O)[O-])C(=O)O
MR,Modify the molecule C=CCOc1ccc(OCC2CCC(c3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)c(F)c1F to have a higher MR value.,C=CCOc1ccc(OCC2CCC(c3ccc(-c4ccc(C)cc4)c(C#N)c3F)CC2)c(F)c1F
QED,Optimize the molecule COC(=O)c1cc2c(cc1Sc1ccccc1)CCCC2 to have a lower QED value.,COC(=O)c1cc2c(cc1S)CCCC2
AtomNum,"The molecule is composed of 17 carbon atoms, 5 oxygen atoms, 2 nitrogen atoms, and 1 bromine atom.",CC1CCC(N(C)C(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1
BondNum,"There is a molecule composed of 9 single bonds, 2 double bonds, 2 rotatable bonds, and 12 aromatic bonds.",Cc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2C)cc1C
FunctionalGroup,"The molecule contains 2 benzene ring groups, 1 hydroxyl group, 1 amide group, 2 amine groups, and 2 halo groups.",COc1ccc(OCC(=O)Nc2nonc2C(NO)=[NH+]c2ccc(F)c(Br)c2)cc1
AddComponent,Modify the molecule CCNS(=O)(=O)CCNC(=O)c1ncccc1C#CCO by adding a hydroxyl.,CCNS(=O)(=O)C(O)CNC(=O)c1ncccc1C#CCO
SubComponent,Please substitute a CCCn1c(C(C)(CC)C[NH3+])nc2cc(Br)ccc21 in the molecule halo with a nitro.,CCCn1c(C(C)(CC)C[NH3+])nc2cc(NO)ccc21
DelComponent,Remove a CC[NH+]1CCCC([NH2+]CC2CCCC2O)CC1 from the molecule hydroxyl.,CC[NH+]1CCCC([NH2+]CC2CCCC2)CC1
LogP,Please optimize the molecule O=[N+]([O-])c1ccc(NC2CCOc3ccccc32)cc1 to have a lower LogP value.,O=C(O)c1cccc2c1OCCC2Nc1ccc([N+](=O)[O-])cc1
MR,Modify the molecule CCc1c(CBr)cccc1OC(F)(F)C(F)F to have a higher MR value.,CC(=O)Cc1cccc(OC(F)(F)C(F)F)c1CC
QED,Please optimize the molecule Cc1coc(-c2cccc(NC(=O)N(C)CC(O)C(F)(F)F)c2)n1 to have a lower QED value.,Cc1coc(-c2cccc(NC(=O)N(C)CC(O)C(F)(F)C#N)c2)n1
AtomNum,"The molecule is composed of 14 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, 1 sulfur atom, 1 chlorine atom, and 1 iodine atom.",O=C(COc1ccccc1Cl)Nc1nc(-c2ccc(I)o2)ns1
BondNum,"The molecule contains 9 single bonds, 1 double bond, 5 rotatable bonds, and 17 aromatic bonds.",Cc1cc(NCC(O)c2ccccc2Cl)c2cccc([N+](=O)[O-])c2n1
FunctionalGroup,"The molecule has 1 benzene ring group, and 1 sulfide group.",COc1cccc(Sc2cccc(-c3ncc4ccccc4n3)n2)c1
AddComponent,Add a aldehyde to the molecule O=C(Cc1c[nH]c2ccccc12)C1=C([O-])C(Cc2ccccc2)OC1=O.,O=CCc1ccc(CC2OC(=O)C(C(=O)Cc3c[nH]c4ccccc34)=C2[O-])cc1
SubComponent,Substitute a halo in the molecule Cc1ccc(-c2cc3c(SCc4ccccc4F)nccn3n2)cc1 with a nitrile.,Cc1ccc(-c2cc3c(SCc4ccccc4C#N)nccn3n2)cc1
DelComponent,Please remove a amide from the molecule CCCc1cc(=O)nc(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)[nH]1.,CCCc1cc(=O)nc(SCc2csc(-c3ccc(CC)cc3)n2)[nH]1
LogP,Optimize the molecule CC[NH2+]C(C)c1cc(Br)ccc1OC(CC)C(=O)[O-] to have a lower LogP value.,CC[NH2+]C(C)c1ccccc1OC(CC)C(=O)[O-]
MR,Please modify the molecule Cc1ccc(OCCCSCCCCCC(=O)[O-])cc1 to decrease its MR value.,COCCCSCCCCCC(=O)[O-]
QED,Please modify the molecule COc1cc(O)c(C(CC(=O)N2CC(C)CC(C)C2)c2cccc(OCc3ccccc3)c2)c(OC)c1 to decrease its QED value.,COc1cc(C#N)c(C(CC(=O)N2CC(C)CC(C)C2)c2cccc(OCc3ccccc3)c2)c(OC)c1
AtomNum,"Please generate a molecule composed of 23 carbon atoms, 3 oxygen atoms, and 9 nitrogen atoms.",CN1CCCC([NH+]2CCC(CO)(Nc3cc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)C2)C1=O
BondNum,"Please generate a molecule consisting 16 single bonds, 2 double bonds, 4 rotatable bonds, and 12 aromatic bonds.",O=C1CNC(=O)C2(CC[NH+](Cc3ccccc3)CC2)N1Cc1ccccc1
FunctionalGroup,"The molecule contains 1 amide group, 1 amine group, 2 sulfide groups, and 1 sulfone group.",O=C(c1csc(S(=O)(=O)NCc2cccs2)c1)N1CCOCC1
AddComponent,Please add a nitrile to the molecule NC(c1c(Cl)ccc(Br)c1O)C(F)(F)F.,N#Cc1cc(Br)c(O)c(C(N)C(F)(F)F)c1Cl
SubComponent,Please substitute a C=S(C(N)=[NH+]C)C1CC(O)C(O)C(CC)O1 in the molecule hydroxyl with a carboxyl.,C=S(C(N)=[NH+]C)C1CC(C(=O)[OH])C(O)C(CC)O1
DelComponent,Remove a C[NH+](C)C(N)c1ccc2[nH]c(=O)oc2c1 from the molecule amine.,C[NH+](C)Cc1ccc2[nH]c(=O)oc2c1
LogP,Optimize the molecule O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)OCc1ccccc1 to have a lower LogP value.,O=C(CSc1ccc2nnc(Cl)n2n1)OCc1ccccc1
MR,Modify the molecule CC1CCC[NH+](C(C)(C)CNC(=O)c2cc(-c3ccco3)on2)C1 to have a higher MR value.,CC1CCC[NH+](C(C)(C)CNC(=O)c2cc(-c3occc3O)on2)C1
QED,Please optimize the molecule CCNC(=[NH+]CCNC(=O)c1ccc(C)c(F)c1)N(C)CCc1cccs1 to have a lower QED value.,CCNC(=[NH+]CCNC(=O)c1ccc(C)c(C(=O)[OH])c1)N(C)CCc1cccs1
AtomNum,"Please generate a molecule with 17 carbon atoms, 3 oxygen atoms, 3 nitrogen atoms, and 1 chlorine atom.",O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)NC1CCCC1
BondNum,"Please generate a molecule composed of 11 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",COc1cc(C(C)C)c(Br)cc1CC(C)(C)[NH3+]
FunctionalGroup,"Please generate a molecule with 1 benzene ring group, and 2 amide groups.",CCOc1ccc(OC(C)C(=O)NNC(=O)c2cc[n+]([O-])cc2)cc1
AddComponent,Modify the molecule CCC([NH3+])C(C)OCCc1ccccc1 by adding a hydroxyl.,CCC([NH3+])C(C)OCCc1ccccc1O
SubComponent,Substitute a O=C(CCC1CCCO1)NC1CCCCC1Br in the molecule halo with a nitrile.,N#CC1CCCCC1NC(=O)CCC1CCCO1
DelComponent,Remove a Cc1cc(Nc2ccccc2)nc(NCCc2ccc(Cl)cc2Cl)n1 from the molecule amine.,Cc1cc(Nc2ccccc2)nc(CCc2ccc(Cl)cc2Cl)n1
LogP,Optimize the molecule CCC(=O)Nc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)NC4CCCC4)ccc3Cl)CC2)ccc1Cl to have a lower LogP value.,CCC(=O)Nc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)NC4CCCC4)ccc3O)CC2)ccc1Cl
MR,Modify the molecule N#CCNC(=O)C1CC(S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccccc1[N+](=O)[O-] to have a higher MR value.,CC(=O)C(F)(F)c1ccccc1S(=O)(=O)C1CC(C(=O)NCC#N)N(c2ccccc2[N+](=O)[O-])C1
QED,Modify the molecule CC(C)NC(=O)CCC(=O)c1ccc(Br)s1 to have a lower QED value.,CC(=O)c1ccc(C(=O)CCC(=O)NC(C)C)s1
AtomNum,The molecule is composed of 13 carbon atoms.,CCCC(C)C(CCC)C(C)(C)C
BondNum,"The molecule is composed of 21 single bonds, 2 double bonds, 8 rotatable bonds, and 5 aromatic bonds.",CCN1CC[NH+](CCCNC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)CC1
FunctionalGroup,"There is a molecule composed of 1 benzene ring group, 1 amide group, 1 halo group, and 1 sulfone group.",COc1ccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCCC4)cc3c2C)cc1Cl
AddComponent,Add a amine to the molecule Cc1cc(C)c(C)c(CC(O)C[NH3+])c1C.,Cc1cc(C)c(C)c(CC(N)(O)C[NH3+])c1C
SubComponent,Please substitute a hydroxyl in the molecule Cc1cn(C2CC(O)C(COP(=O)([O-])C(C)C)O2)c(=O)[nH]c1=O with a halo.,Cc1cn(C2CC(Cl)C(COP(=O)([O-])C(C)C)O2)c(=O)[nH]c1=O
DelComponent,Remove a halo from the molecule CCCCOc1ccc(OCC(C)(O)CCn2cc([N+](=O)[O-])nc2Cl)cc1.,CCCCOc1ccc(OCC(C)(O)CCn2cnc([N+](=O)[O-])c2)cc1
LogP,Modify the molecule Cc1ccsc1C(=O)C(C#N)c1cccc(Cl)c1 to decrease its LogP value.,Cc1ccsc1C(=O)C(Cl)C#N
MR,Please modify the molecule Cc1ccccc1Cn1c(C)c(C2CC[NH2+]CC2)c2ccccc21 to decrease its MR value.,CCn1c(C)c(C2CC[NH2+]CC2)c2ccccc21
QED,Modify the molecule CC(=O)c1cc(I)cc([N+](=O)[O-])n1 to have a higher QED value.,CC(=O)c1cccc([N+](=O)[O-])n1
AtomNum,"The molecule consists of 22 carbon atoms, 6 oxygen atoms, 2 nitrogen atoms, and 1 sulfur atom.",COc1ccc2[nH]c(C)c(CC(=O)N(Cc3cccc(OC)c3OC)S(C)(=O)=O)c2c1
BondNum,"There is a molecule with 13 single bonds, 4 rotatable bonds, and 6 aromatic bonds.",Fc1ccc(Cl)cc1CCCN1CCC[NH2+]CC1
FunctionalGroup,"Please generate a molecule with 1 amide group, 1 amine group, and 1 sulfide group.",Cc1sc(=O)n(CCC(=O)NN)c1C
AddComponent,Modify the molecule CC1CC(C)CC(C(O)c2ccc(F)cc2)C1 by adding a hydroxyl.,CC1CC(C)CC(C(O)c2ccc(F)cc2O)C1
SubComponent,Modify the molecule halo by substituting a COc1c(C=Cc2ccc(NS(C)(=O)=O)c(F)c2)cc(N2CCC(=O)N([NH3+])C2=O)cc1C(C)(C)C with a nitrile.,COc1c(C=Cc2ccc(NS(C)(=O)=O)c(C#N)c2)cc(N2CCC(=O)N([NH3+])C2=O)cc1C(C)(C)C
DelComponent,Remove a halo from the molecule CCC(=O)Nc1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)NC4CCCC4)c3)CC2)ccc1Cl.,CCC(=O)Nc1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)NC4CCCC4)c3)CC2)ccc1Cl
LogP,Please modify the molecule NS(=O)(=O)CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1F to decrease its LogP value.,NS(=O)(=O)CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1O
MR,Modify the molecule Oc1ccc(F)cc1C[NH2+]C1CC[NH2+]CC1 to increase its MR value.,Oc1ccccc1C[NH2+]C1CC[NH2+]CC1
QED,Please optimize the molecule CCC(Nc1cc(C(F)(F)F)[nH+]cc1N)c1ncc[nH]1 to have a lower QED value.,CCC(Nc1cc(C(O)(F)F)[nH+]cc1N)c1ncc[nH]1
AtomNum,"Please generate a molecule composed of 19 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC(C)(C)[NH+](CC(O)C[NH+](C(C)(C)C)C(C)(C)C)C(C)(C)C
BondNum,"The molecule contains 11 single bonds, 2 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",CC(C)CNC(=O)COc1ccc(C(=O)[O-])cc1Br
FunctionalGroup,"The molecule is composed of 1 benzene ring group, 1 ketone group, 1 ester group, and 1 amine group.",CCOc1ccc(C(=O)c2oc3ccccc3c2NC2OC(=O)c3ccccc32)cc1
AddComponent,Please add a benzene ring to the molecule CCCC(Cc1nn(CC)c2ccccc12)[NH2+]CC.,CCCC(Cc1nn(CC)c2ccccc12)[NH2+]CCc1ccccc1
SubComponent,Substitute a Cc1nc(-c2cccc(CC(=O)Cc3cccs3)c2)c(-c2ccnc(Cl)n2)s1 in the molecule halo with a aldehyde.,CC(=O)c1nccc(-c2sc(C)nc2-c2cccc(CC(=O)Cc3cccs3)c2)n1
DelComponent,Please remove a CC1C[NH2+]C(C2CC2)CN1C(C)CC(F)(F)F from the molecule halo.,CC1C[NH2+]C(C2CC2)CN1C(C)CC(F)F
LogP,Please optimize the molecule CN(CCO)C(=O)c1coc(COc2cccc(F)c2)n1 to have a higher LogP value.,CN(CCO)C(=O)c1coc(COc2cccc(S)c2)n1
MR,Modify the molecule Cc1nn(C2CCS(=O)(=O)C2)c(C)c1CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 to have a higher MR value.,CC(=O)c1ccc(N2CCN(C(=O)Cc3c(C)nn(C4CCS(=O)(=O)C4)c3C)CC2)cc1Cl
QED,Please modify the molecule CC(O)C(NC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(N)=O to decrease its QED value.,CC(C(=O)[OH])C(NC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(N)=O
AtomNum,"The molecule has 14 carbon atoms, 3 oxygen atoms, and 2 nitrogen atoms.",COc1ccc(-c2cc(C(=O)[O-])nnc2C)cc1C
BondNum,"There is a molecule consisting of 10 single bonds, 1 double bond, 3 rotatable bonds, and 6 aromatic bonds.",O=C1CCC(CNc2ccc(Cl)cc2)CC1
FunctionalGroup,There is a molecule with and 2 benzene ring groups.,CCCCc1ccc(COc2ccc(CC(CC)CC)cc2)cc1
AddComponent,Please add a hydroxyl to the molecule CC([NH2+]CC(C)(C)c1ccccc1)c1cc(F)ccc1O.,CC(C)(C[NH2+]C(CO)c1cc(F)ccc1O)c1ccccc1
SubComponent,Substitute a hydroxyl in the molecule N#Cc1nnc2ccccc2c1NC1CCc2c(O)cccc21 with a halo.,N#Cc1nnc2ccccc2c1NC1CCc2c(F)cccc21
DelComponent,Please remove a O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2cscn2)CC1 from the molecule halo.,O=C(c1ccccc1)N1CCN(C(=O)c2cscn2)CC1
LogP,Modify the molecule CCC1CCCCN1C(=O)C(C)Sc1nc(C)cc(N)n1 to have a lower LogP value.,CCC1C(C(=O)O)CCCN1C(=O)C(C)Sc1nc(C)cc(N)n1
MR,Please modify the molecule CS(=O)(=O)N1CCN(C(=O)C(CC[NH2+]C2CC2c2ccc(F)cc2)NC(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1 to increase its MR value.,CS(=O)(=O)N1CCN(C(=O)C(CC[NH2+]C2CC2c2ccc(F)cc2)NC(=O)c2ccc(-c3ccccc3)cc2)CC1
QED,Modify the molecule C[NH+]1CC2CC1CN2c1ccccc1 to have a lower QED value.,C[NH+]1CC2CC1CN2
AtomNum,"The molecule contains 14 carbon atoms, 2 oxygen atoms, 3 nitrogen atoms, and 2 sulfur atoms.",CC[NH2+]Cc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C)C2)s1
BondNum,"The molecule is composed of 8 single bonds, 2 double bonds, 4 rotatable bonds, and 11 aromatic bonds.",Cc1cccc(C(C)C)c1NS(=O)(=O)c1cnn(C)c1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 3 amide groups, 3 amine groups, and 2 halo groups.",Cn1cc(NC(=O)C[NH+]=C(N)N)cc1C(=O)Nc1ccc2oc(C(=O)Nc3ccc(N(CCCl)CCCl)cc3)cc2c1
AddComponent,Add a benzene ring to the molecule CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C[NH2+]C)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccc(Cl)cc1)C(=O)[O-].,CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)(NC(=O)C(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C[NH2+]C)C(C)C)c1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccc(Cl)cc1)C(=O)[O-]
SubComponent,Please substitute a CC(NC(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc2c(c1)OCO2 in the molecule halo with a thiol.,CC(NC(=O)COC(=O)CNC(=O)c1sc2ccccc2c1S)c1ccc2c(c1)OCO2
DelComponent,Remove a benzene ring from the molecule Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)Nc3ccccc3C(=O)NCc3ccc(F)cc3)CC2)cccc1C(=O)N1CCC(C)CC1.,Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCC(=O)NC(=O)NCc3ccc(F)cc3)CC2)cccc1C(=O)N1CCC(C)CC1
LogP,Please modify the molecule CC(Br)C(O)C(Br)CBr to increase its LogP value.,CC(Br)CC(Br)CBr
MR,Optimize the molecule CS(=O)(=O)CCC([NH3+])C(=O)N1CCN(c2cccc(Cl)c2)CC1 to have a lower MR value.,CS(=O)(=O)CCC([NH3+])C(=O)N1CCN(Cl)CC1
QED,Please optimize the molecule CC=CCC[NH2+]C1CCc2cc(O)ccc21 to have a lower QED value.,CC=CCC[NH2+]C1CCc2cc(NO)ccc21
AtomNum,"The molecule consists of 31 carbon atoms, 9 oxygen atoms, 6 nitrogen atoms, and 1 sulfur atom.",CCOC(=O)CCN(C(=O)C(CC(=O)NCC1CN(C(N)=[NH+]C(=O)OCC)CCO1)NS(=O)(=O)c1ccc2ccccc2c1)C1CC1
BondNum,"Please generate a molecule composed of 12 single bonds, 1 double bond, 4 rotatable bonds, and 6 aromatic bonds.",CCNC(=O)c1cc(N2CC([NH3+])(CC)C2)cc[nH+]1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 1 hydroxyl group, and 1 halo group.",Cc1nn(CCO)c(C)c1C[NH+](Cc1ccc(F)cc1)CC1CC1
AddComponent,Add a hydroxyl to the molecule CCn1ccnc1CSCC(C)[NH3+].,CCn1cc(O)nc1CSCC(C)[NH3+]
SubComponent,Modify the molecule halo by substituting a COc1ccc(C(NC(=O)Cc2c(C)cccc2C)C(=O)[O-])cc1Cl with a thiol.,COc1ccc(C(NC(=O)Cc2c(C)cccc2C)C(=O)[O-])cc1S
DelComponent,Remove a [NH3+]Cc1ccc(SC2CCOC2=O)cc1 from the molecule benzene ring.,[NH3+]CSC1CCOC1=O
LogP,Please modify the molecule N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1ccccc1Br)C2 to decrease its LogP value.,N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1ccccc1NO)C2
MR,Modify the molecule CC(C)(C)CCC1([NH2+]Cc2ccccc2C(F)(F)F)C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)c2ccccc21 to have a higher MR value.,CC(C)(C)CCC1([NH2+]Cc2ccccc2C(F)(F)F)C(=O)C(N)(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)c2ccccc21
QED,Please optimize the molecule CCN1CC[NH+](CCC(=O)NCC2CCC[NH2+]2)CC1 to have a higher QED value.,CCN1CC[NH+](CCC2CCC[NH2+]2)CC1
AtomNum,"The molecule contains 23 carbon atoms, 5 oxygen atoms, 4 nitrogen atoms, and 1 sulfur atom.",Cc1cccc(C)c1N(C(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CCS(=O)(=O)CC1
BondNum,"Please generate a molecule consisting 14 single bonds, 2 double bonds, 6 rotatable bonds, and 15 aromatic bonds.",CC(C)(C)OC(=O)NCc1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)co1
FunctionalGroup,"There is a molecule composed of 1 ketone group, 1 sulfide group, and 1 sulfone group.",CN(C1CCC(=O)CC1)S(=O)(=O)c1cccc2c1N=S=N2
AddComponent,Add a nitrile to the molecule CNC(=O)C1CCN(c2ncnc3ccccc23)CC1.,CNC(=O)C1CCN(c2ncnc3cc(C#N)ccc23)CC1
SubComponent,Modify the molecule CCn1nc(C)cc1CC(=O)C(C)Oc1cccc(Cl)c1 by substituting a halo with a aldehyde.,CC(=O)c1cccc(OC(C)C(=O)Cc2cc(C)nn2CC)c1
DelComponent,Modify the molecule CCC1OC(=O)N=C(c2ccccc2)S1 by removing a benzene ring.,CCC1OC(=O)N=CS1
LogP,Optimize the molecule O=c1c(-c2ccc3c(c2)OCCO3)c(CO)nc2c(C3=CCCCC3)c(-c3ccccc3)[nH]n12 to have a higher LogP value.,Cc1nc2c(C3=CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2c(c1)OCCO2
MR,Modify the molecule COc1ccc(C2=NN(C(N)=[NH2+])CC2)cc1OC to increase its MR value.,COc1cc(N)c(C2=NN(C(N)=[NH2+])CC2)cc1OC
QED,Please optimize the molecule Fc1cccc(COc2ccc(C[NH2+]C3CC3)nc2)c1Br to have a lower QED value.,CC(=O)c1cccc(COc2ccc(C[NH2+]C3CC3)nc2)c1Br
AtomNum,"The molecule contains 97 carbon atoms, 8 oxygen atoms, and 4 nitrogen atoms.",CC1(C)CC2(CC(C)(C)c3cc(Oc4cccc(Oc5ccc(-c6ccccc6)cc5)c4C#N)c(Oc4cccc(Oc5ccc(-c6ccccc6)cc5)c4C#N)cc32)c2cc(Oc3cccc(Oc4ccc(-c5ccccc5)cc4)c3C#N)c(Oc3cccc(Oc4ccc(-c5ccccc5)cc4)c3C#N)cc21
BondNum,"Please generate a molecule with 9 single bonds, 2 double bonds, 4 rotatable bonds, and 10 aromatic bonds.",CC(C)CNC(=O)C(C)n1c(=S)[nH]c2cc(I)ccc21
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, and 1 halo group.",Cc1nnn(Cc2cc(Cl)ccc2COC(=O)N2CCC(c3nnc(C)o3)CC2)n1
AddComponent,Modify the molecule O=C(NCCC[NH+]1CCOCC1)c1cc(Oc2ccc3c(c2)C(C(=O)[O-])CN3)ccn1 by adding a benzene ring.,O=C(NC(CC[NH+]1CCOCC1)c1ccccc1)c1cc(Oc2ccc3c(c2)C(C(=O)[O-])CN3)ccn1
SubComponent,Modify the molecule nitrile by substituting a N#CCCCN1C(=O)C(=O)c2ccccc21 with a aldehyde.,CC(=O)CCCN1C(=O)C(=O)c2ccccc21
DelComponent,Modify the molecule amide by removing a COc1ccc2cc(CNC(=O)Cn3nc4ccccn4c3=O)ccc2c1.,COc1ccc2cc(Cn3nc4ccccn4c3=O)ccc2c1
LogP,Modify the molecule CN(C)C(=O)CCCOc1ccc([N+](=O)[O-])cc1CO to increase its LogP value.,CCCCOc1ccc([N+](=O)[O-])cc1CO
MR,Please optimize the molecule Cc1cccc(C)c1NCc1cc(=O)n2[nH]c(NCc3ccccc3Cl)nc2n1 to have a higher MR value.,CC(=O)c1ccccc1CNc1nc2nc(CNc3c(C)cccc3C)cc(=O)n2[nH]1
QED,Optimize the molecule CCC(C[NH3+])Oc1ccc(Cl)cc1 to have a higher QED value.,CCC(C[NH3+])Oc1ccc(Cl)c(O)c1
AtomNum,"Please generate a molecule with 28 carbon atoms, 4 oxygen atoms, and 5 nitrogen atoms.",CC1CN(C(=O)c2ccccn2)CCN1C(=O)C(=O)C1CNc2c1ccnc2-c1cc2ccccc2o1
BondNum,"There is a molecule consisting of 6 single bonds, 1 triple bond, 3 rotatable bonds, and 10 aromatic bonds.",CCc1c(CC#N)ccc2cc(CCl)sc12
FunctionalGroup,"The molecule is composed of 1 hydroxyl group, 1 ketone group, 1 amide group, and 1 amine group.",CC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NC(=O)c1nccc2ccccc12
AddComponent,Modify the molecule Cc1cc(NC(=O)NCCCOC(C)C)no1 by adding a benzene ring.,Cc1onc(NC(=O)NCCCOC(C)C)c1-c1ccccc1
SubComponent,Modify the molecule nitrile by substituting a C[NH+]1CCN(C(=O)c2cccc(C#N)c2)C2(CCCCC2)C1 with a carboxyl.,C[NH+]1CCN(C(=O)c2cccc(C(=O)[OH])c2)C2(CCCCC2)C1
DelComponent,Please remove a COc1cc(C)c(B(C[Si](C)(C)C)c2c(C)cc(OC)cc2C)c(C)c1 from the molecule benzene ring.,COCCB(C[Si](C)(C)C)c1c(C)cc(OC)cc1C
LogP,Modify the molecule COc1cccc(C(=O)Nc2cccc(-c3ccnn3C)c2OCC([NH3+])C(C)C)c1 to have a lower LogP value.,COc1cccc(C(=O)Nc2cc(O)cc(-c3ccnn3C)c2OCC([NH3+])C(C)C)c1
MR,Please modify the molecule CCC[NH+]1CCOC(C(NN)C2CCCC(C)C2)C1 to decrease its MR value.,CCC[NH+]1CCOC(C(N)C2CCCC(C)C2)C1
QED,Please optimize the molecule CCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cn1nnc(-c2ccccc2)n1 to have a higher QED value.,CCCN(Cc1nnc(-c2ccc(O)s2)o1)C(=O)Cn1nnc(-c2ccccc2)n1
AtomNum,"There is a molecule composed of 15 carbon atoms, and 5 nitrogen atoms.",c1nc2c(c(N3CC(N4CC[NH2+]CC4)C3)n1)CCCC2
BondNum,"There is a molecule consisting of 54 single bonds, 8 double bonds, 12 rotatable bonds, and 5 aromatic bonds.",C=CC1CC1(NC(=O)C1CC2(CN1C(=O)C(NC(=O)C(NC(=O)c1cc(C)nn1C(C)(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
FunctionalGroup,"Please generate a molecule consisting 1 hydroxyl group, 2 amide groups, 2 amine groups, 2 sulfide groups, and 1 sulfone group.",CCCC(C(Cc1ccc(C)s1)C(=O)NC(CCCN=C(N)NS(=O)(=O)c1ccccn1)C(=O)Nc1nccs1)N(O)C=O
AddComponent,Add a carboxyl to the molecule [NH3+]C(CCc1ccccc1)c1nnc(NS(=O)(=O)c2ccccc2)o1.,[NH3+]C(CCc1ccccc1)c1nnc(NS(=O)(=O)c2cccc(C(=O)O)c2)o1
SubComponent,Please substitute a halo in the molecule N#Cc1cccc(-c2ccc(C3(OCC(=O)Nc4cc(Cl)cc(Cl)c4)CC[NH+](Cc4ccccc4C#N)CC3)cc2)c1 with a nitro.,N#Cc1cccc(-c2ccc(C3(OCC(=O)Nc4cc(Cl)cc(NO)c4)CC[NH+](Cc4ccccc4C#N)CC3)cc2)c1
DelComponent,Modify the molecule benzene ring by removing a Cc1cccc(CC(=O)N(C)C(CO)C(=O)[O-])c1.,CCC(=O)N(C)C(CO)C(=O)[O-]
LogP,Modify the molecule CC1CCCN(c2cc(N3CCCC(C)C3)nc(NC(=S)NCc3ccc(Cl)cc3)n2)C1 to decrease its LogP value.,CC(=O)c1ccc(CNC(=S)Nc2nc(N3CCCC(C)C3)cc(N3CCCC(C)C3)n2)cc1
MR,Please optimize the molecule COc1ccc(Br)cc1NC1CCCCC1C(F)(F)F to have a lower MR value.,COc1ccc(O)cc1NC1CCCCC1C(F)(F)F
QED,Modify the molecule O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cccc2c1CCCC2 to decrease its QED value.,O=C(CCc1ncc(-c2ccccc2S)o1)Nc1cccc2c1CCCC2
AtomNum,"There is a molecule consisting of 15 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",COc1ccc(C)cc1C(C)[NH2+]C1(C)CCOC1
BondNum,"The molecule consists of 6 single bonds, 4 rotatable bonds, and 11 aromatic bonds.",CCNc1cc(-c2ccccc2OC)[nH]n1
FunctionalGroup,"Please generate a molecule composed of 1 benzene ring group, 2 hydroxyl groups, and 1 halo group.",CCOc1cc(CCC[NH2+]CC(C)O)cc(Br)c1O
AddComponent,Please add a nitrile to the molecule CSCC[NH2+]Cc1ccc(C(O)(c2ccc3c(c2)c(-c2cccc(Cl)c2)nc2nnnn23)c2cncn2C)cc1.,CSCC[NH2+]Cc1ccc(C(O)(c2ccc3c(c2)c(-c2cccc(Cl)c2)nc2nnnn23)c2cncn2C)c(C#N)c1
SubComponent,Please substitute a COCCOC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 in the molecule halo with a nitro.,COCCOC(=O)c1ccc(NC(=O)c2cccc(NO)c2)cc1
DelComponent,Remove a amine from the molecule Nc1ncnc2nc(-c3ccc(C4C[NH2+]C(CO)C4)nn3)cc(-c3cccc(Br)c3)c12.,OCC1CC(c2ccc(-c3cc(-c4cccc(Br)c4)c4cncnc4n3)nn2)C[NH2+]1
LogP,Please modify the molecule COc1c(CCl)ncc(C(F)(F)F)c1OC(F)(F)F to decrease its LogP value.,COc1c(CC#N)ncc(C(F)(F)F)c1OC(F)(F)F
MR,Optimize the molecule CCC1CCCCC1[NH2+]CC(O)COc1ccccc1 to have a higher MR value.,CCC1CCCCC1[NH2+]C(c1ccccc1)C(O)COc1ccccc1
QED,Optimize the molecule O=C(CCc1ccccc1Cl)NC(c1ccccc1)c1ccccn1 to have a lower QED value.,ONc1ccccc1CCC(=O)NC(c1ccccc1)c1ccccn1
AtomNum,"The molecule contains 18 carbon atoms, 1 oxygen atom, 3 nitrogen atoms, and 1 sulfur atom.",CCNC(NCCC(C)c1ccc(OC)cc1)=[NH+]CCCSC
BondNum,"The molecule has 9 single bonds, 2 double bonds, and 6 rotatable bonds.",C=CCC([NH3+])(CCC[NH3+])C(=O)[O-]
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amide group, and 1 amine group.",CCC(=O)Nc1ccc(NCC2CCC[NH2+]C2)cc1
AddComponent,Add a benzene ring to the molecule CC(C)[NH2+]C(CC[NH+]1CCCC(C)(C)CC1)C(=O)[O-].,CC(C)[NH2+]C(CC[NH+]1CCCC(C)(Cc2ccccc2)CC1)C(=O)[O-]
SubComponent,Substitute a halo in the molecule CC1(C)OCC(COc2cc(N3CC[NH+](CCn4c(=O)sc5c4nc(N)n4nc(-c6ccco6)nc54)CC3)c(F)cc2F)O1 with a thiol.,CC1(C)OCC(COc2cc(N3CC[NH+](CCn4c(=O)sc5c4nc(N)n4nc(-c6ccco6)nc54)CC3)c(S)cc2F)O1
DelComponent,Remove a halo from the molecule CCCCn1c(=O)c(OCCCCCc2cccc(OC(C)(C)C(=O)OCC)c2)nn(CCCC(F)(F)F)c1=O.,CCCCn1c(=O)c(OCCCCCc2cccc(OC(C)(C)C(=O)OCC)c2)nn(CCCC(F)F)c1=O
LogP,Optimize the molecule CCN1c2ccc(C(C)[NH2+]C)cc2CC1C to have a higher LogP value.,CCN1c2ccc(C(Cc3ccccc3)[NH2+]C)cc2CC1C
MR,Optimize the molecule CCCN(CCC)C(=O)CSCC(NC(C)=O)C(=O)[O-] to have a higher MR value.,CCCN(C(=O)CSCC(NC(C)=O)C(=O)[O-])C(O)CC
QED,Modify the molecule O=[N+]([O-])N1C(c2ccc(O)c(O)c2)=CSC1Nc1cnc2ccccc2c1 to increase its QED value.,O=[N+]([O-])N1C(c2ccc(O)c(O)c2)=CSC1c1cnc2ccccc2c1
AtomNum,"Please generate a molecule composed of 17 carbon atoms, 2 oxygen atoms, and 4 nitrogen atoms.",Cn1nccc1-c1cc(N)ccc1OCCC[NH+]1CCOCC1
BondNum,"There is a molecule composed of 3 single bonds, and 10 aromatic bonds.",Fc1csc2c(Br)ccc([S-])c12
FunctionalGroup,"The molecule consists of 1 benzene ring group, 1 hydroxyl group, and 1 amide group.",CCN(CC)c1ccc(C=C(O)C(=O)NC2CCCCC2)cc1
AddComponent,Please add a aldehyde to the molecule C=C(NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1.,C=C(NNC(=O)CN(c1ccc(C)c(CC=O)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1
SubComponent,Please substitute a hydroxyl in the molecule CC(C)CC(CO)NC(=O)C([NH3+])CC(C)C with a halo.,CC(C)CC(CF)NC(=O)C([NH3+])CC(C)C
DelComponent,Modify the molecule CN(Cc1ccccc1OC(F)(F)F)C(=O)c1sccc1S(=O)(=O)N1CCSCC1 by removing a benzene ring.,CN(COC(F)(F)F)C(=O)c1sccc1S(=O)(=O)N1CCSCC1
LogP,Modify the molecule O=C(Nc1ccc2c(c1)CN(C(=O)Cn1cncn1)CC2)c1ccccc1Cl to have a lower LogP value.,O=C(Nc1ccc2c(c1)CN(C(=O)Cn1ncnc1C(=O)O)CC2)c1ccccc1Cl
MR,Please modify the molecule COc1cc(CCNC(=O)COC(=O)c2ccoc2C)ccc1OC(F)F to decrease its MR value.,COc1cc(CCNC(=O)COC(=O)c2ccoc2C)ccc1OCF
QED,Please modify the molecule CCC([NH3+])c1cncn1-c1cc(Br)cc(C(F)(F)F)c1 to decrease its QED value.,CCC([NH3+])c1cncn1-c1cc(S)cc(C(F)(F)F)c1
AtomNum,"The molecule has 21 carbon atoms, 1 oxygen atom, 2 nitrogen atoms, 1 sulfur atom, and 1 bromine atom.",Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4Br)cc3)sc2c1
BondNum,"There is a molecule with 11 single bonds, 3 rotatable bonds, and 17 aromatic bonds.",Cc1ccc(-n2nc(C(F)(F)F)c(C3CC3)c2-c2ccccc2)cc1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ketone group, 1 halo group, 1 thioether group, and 1 sulfide group.",CCC(=O)c1ccc(I)cc1SC
AddComponent,Add a amine to the molecule COc1ccc(Br)cc1C=CC(=O)Nc1cccc(NC(=O)c2cccs2)c1.,COc1ccc(Br)cc1C(N)=CC(=O)Nc1cccc(NC(=O)c2cccs2)c1
SubComponent,Please substitute a halo in the molecule O=C(NCC1(c2ccccc2)CCOCC1)C1CCN(c2ccc(Cl)cc2)C1=O with a nitro.,ONc1ccc(N2CCC(C(=O)NCC3(c4ccccc4)CCOCC3)C2=O)cc1
DelComponent,Please remove a CCC(=O)N1CCCC(O)(c2nc(C)c(CCOc3ccc(OC)cc3)s2)CC1 from the molecule amide.,COc1ccc(OCCc2sc(C3(O)CCCC(C)C3)nc2C)cc1
LogP,Modify the molecule CCSCc1nc(NC)c(I)c(-c2ccccc2)n1 to have a lower LogP value.,CCSCc1ncc(I)c(NC)n1
MR,Please optimize the molecule CCCn1cc(Cl)cc1C(=O)N1CCC[NH2+]CC1 to have a lower MR value.,CCCn1cccc1C(=O)N1CCC[NH2+]CC1
QED,Optimize the molecule C[NH+](C)CCOc1cc(S(C)(=O)=O)c(N)cc1C(C)(C)C to have a lower QED value.,C[NH+](C)CCOc1cc(S(C)(=O)=O)c(N)cc1C(C)(C)CO
AtomNum,"The molecule has 12 carbon atoms, 1 nitrogen atom, 1 sulfur atom, and 3 chlorine atoms.",Cc1cc(Cl)c(NCc2ccc(Cl)s2)cc1Cl
BondNum,"There is a molecule consisting of 17 single bonds, 3 double bonds, 4 rotatable bonds, and 6 aromatic bonds.",O=C1CC(NS(=O)(=O)c2cc(F)cc(F)c2)CN1C1CCCCC1
FunctionalGroup,"There is a molecule consisting of 3 benzene ring groups, 1 amide group, 3 halo groups, and 1 sulfone group.",CS(=O)(=O)c1cc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[n-]n3)cc2)c2ccc(C3=CCCCC3)cc2)ccc1OC(F)(F)F
AddComponent,Add a hydroxyl to the molecule OCCc1ccc(N2CC3(CCCCCC3)C2)cc1.,OCCc1ccc(N2CC3(CCCCCC3)C2O)cc1
SubComponent,Substitute a CC(C)C[NH2+]Cc1cccc(Cl)c1-n1cc(I)cn1 in the molecule halo with a hydroxyl.,CC(C)C[NH2+]Cc1cccc(O)c1-n1cc(I)cn1
DelComponent,Please remove a CC(=Nc1ccccc1)C(=NNc1ccc(C)cc1)C(=O)c1ccccc1 from the molecule benzene ring.,CC(=Nc1ccccc1)C(C=O)=NNc1ccc(C)cc1
LogP,Please optimize the molecule CCOC(=O)C1(O)CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)CC1 to have a higher LogP value.,CCOC(=O)C1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)CC1
MR,Please optimize the molecule CN(N=Cc1cc[n+](CCCS(=O)(=O)OS(=O)(=O)CCC[n+]2cccc(C=NN(C)c3ccc(O)cc3)c2)cc1)c1ccc(O)cc1 to have a lower MR value.,CN(N=Cc1cc[n+](CCCS(=O)(=O)OS(=O)(=O)CCC[n+]2cccc(C=NN(C)c3ccc(O)cc3)c2)cc1)c1ccccc1
QED,Modify the molecule CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc2ccccc12 to increase its QED value.,CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)c(Cl)c1)C(=O)Nc1cccc2ccccc12
AtomNum,"Please generate a molecule with 15 carbon atoms, 2 oxygen atoms, and 1 nitrogen atom.",Cc1ccc(N2CCC(C)(C(=O)[O-])CC2)cc1C
BondNum,"There is a molecule with 6 single bonds, 1 double bond, 3 rotatable bonds, and 12 aromatic bonds.",CC([NH3+])c1nn(Cc2ccccc2)c(N)nc1=O
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 ester group, and 1 halo group.",Cc1noc(C)c1COC(=O)Cc1ccccc1Cl
AddComponent,Modify the molecule Cn1c2cc(C#N)ccc2c2cccc(C#N)c21 by adding a carboxyl.,N#Cc1ccc2c3cccc(C#N)c3n(CC(=O)O)c2c1
SubComponent,Modify the molecule CCCN(C(=O)C[NH3+])C(C)c1ccc(Cl)c(Cl)c1 by substituting a halo with a carboxyl.,CCCN(C(=O)C[NH3+])C(C)c1ccc(C(=O)[OH])c(Cl)c1
DelComponent,Modify the molecule amide by removing a [NH3+]CCNC(=O)C1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1.,[NH3+]CCNC(=O)C1CCCC1Cn1cnc2ccccc2c1=O
LogP,Please modify the molecule CC(C)C([NH3+])(C(=O)[O-])c1ccc(F)c(Br)c1 to increase its LogP value.,CC(=O)c1ccc(C([NH3+])(C(=O)[O-])C(C)C)cc1Br
MR,Modify the molecule CCOC(=O)CC1CCC(c2ccc(O)cc2F)CC1 to have a higher MR value.,CCOC(=O)CC1CCC(c2ccc(O)cc2)CC1
QED,Please optimize the molecule O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[NH2+]CC1 to have a lower QED value.,ONc1ccc(S(=O)(=O)N2CC[NH2+]CC2)c(C(F)(F)F)c1
AtomNum,"Please generate a molecule consisting 18 carbon atoms, 1 oxygen atom, 1 nitrogen atom, and 1 chlorine atom.",CC[NH2+]C(C)c1ccc(Oc2ccc(C)cc2C)cc1Cl
BondNum,"The molecule is composed of 24 single bonds, 3 double bonds, 6 rotatable bonds, and 6 aromatic bonds.",O=C(CN1C(=O)C2CCCN2C(=O)c2ccc(F)cc21)NCCC[NH+]1CCCCC1
FunctionalGroup,"The molecule contains 1 benzene ring group, 1 amide group, 1 thioether group, and 1 sulfide group.",Cc1nn2c(-c3cccc(NC(=O)CSc4nc5ccccc5o4)c3)nnc2c2ccccc12
AddComponent,Add a benzene ring to the molecule COC(=O)C(C)(C)C(=CC1=C(C(=Nc2ccc(OC)cc2)c2ccc3ccccc3c2)C(=O)C1(C)C)c1ccccc1.,COC(=O)C(C)(C)C(=CC1=C(C(=Nc2ccc(OC)cc2)c2ccc3ccccc3c2)C(=O)C1(C)C)c1ccccc1-c1ccccc1
SubComponent,Modify the molecule halo by substituting a Cc1ccc(C(=O)c2cc(N)cc(Cl)c2Cl)o1 with a carboxyl.,Cc1ccc(C(=O)c2cc(N)cc(C(=O)[OH])c2Cl)o1
DelComponent,Remove a benzene ring from the molecule CCCn1cc(N)c(-c2ccc(OC(C)C)cc2)n1.,CCCn1cc(N)c(OC(C)C)n1
LogP,Please modify the molecule NC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c2c1 to decrease its LogP value.,NC(=O)Nc1ccc2cc[nH]c2c1
MR,Optimize the molecule C#Cc1c(N)ccc(C(=O)OC)c1Cl to have a lower MR value.,C#Cc1cc(C(=O)OC)ccc1N
QED,Modify the molecule CCCCC(NC(N)=O)C(=O)N1CC[NH+](Cc2cccc3ccccc23)CC1 to increase its QED value.,CCCCC1C[NH+](Cc2cccc3ccccc23)CC1NC(N)=O
AtomNum,"There is a molecule with 25 carbon atoms, 4 oxygen atoms, and 3 nitrogen atoms.",[NH3+]CCOc1cccc(-c2ccc(CN3C(=O)c4ccccc4C3=O)cc2OCC[NH3+])c1
BondNum,"Please generate a molecule consisting 7 single bonds, 1 double bond, and 6 aromatic bonds.",O=C1CCc2c(Cl)cc(Br)cc2N1
FunctionalGroup,"The molecule has 3 benzene ring groups, 5 amide groups, and 2 halo groups.",Cc1ccccc1NC(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)N3CCC(C)CC3)c2)CC1
AddComponent,Please add a hydroxyl to the molecule CCCC[NH+](CCCC)CCCOc1cccc(C[NH3+])c1.,CCCC[NH+](CCCOc1cccc(C[NH3+])c1)CC(O)CC
SubComponent,Please substitute a nitro in the molecule CCC(C=C(C(N)=O)N([O-])OC)=C(C)[N+](=O)[O-] with a thiol.,CCC(C=C([SH]OC)C(N)=O)=C(C)[N+](=O)[O-]
DelComponent,Modify the molecule hydroxyl by removing a C[NH2+]C1CCCC1(O)c1cccc(Cl)c1.,C[NH2+]C1CCCC1c1cccc(Cl)c1
LogP,Please modify the molecule CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(C)(C)C)cc2)C1=O to decrease its LogP value.,CN1C(=O)C(=O)N(CC(=O)NC(C)(C)C)C1=O
MR,Modify the molecule COc1cc(F)c(Cl)c(CC(C)=O)c1OC to have a higher MR value.,COc1cc(C#N)c(Cl)c(CC(C)=O)c1OC
QED,Modify the molecule CC[NH+](Cc1cc2ccccc2s1)CC(C)(C)O to have a lower QED value.,CC[NH+](Cc1cc2cccc(-c3ccccc3)c2s1)CC(C)(C)O
AtomNum,"There is a molecule consisting of 25 carbon atoms, 4 oxygen atoms, 4 nitrogen atoms, and 1 fluorine atom.",CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1
BondNum,"The molecule consists of 32 single bonds, 5 double bonds, 11 rotatable bonds, and 18 aromatic bonds.",Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1
FunctionalGroup,"There is a molecule consisting of 1 benzene ring group, 1 amine group, and 2 halo groups.",CCC[NH+]1CCC(Nc2c(Br)cc(C)cc2Br)CC1
AddComponent,Please add a hydroxyl to the molecule O=C(NCC1(F)CC[NH+](CCC2CCC2)CC1)c1cc(Cl)cc(Cl)c1.,O=C(NCC1(F)CC[NH+](CCC2CCC2)CC1)c1cc(Cl)c(O)c(Cl)c1
SubComponent,Substitute a Cc1cc(F)cc(NC(C)(CO)c2cc(F)cc(F)c2)c1 in the molecule halo with a carboxyl.,Cc1cc(NC(C)(CO)c2cc(F)cc(F)c2)cc(C(=O)[OH])c1
DelComponent,Please remove a amide from the molecule CCCc1ccc(S(=O)(=O)N2CCCN(C(=O)CC)CC2)cc1.,CCCc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1
LogP,Modify the molecule [NH3+]CC1COCCN1Cc1ccccc1Cl to decrease its LogP value.,[NH3+]CC1COCCN1Cc1ccccc1C(=O)[OH]
MR,Optimize the molecule CN(Cc1cc(C[NH3+])ccc1F)c1ccccc1 to have a higher MR value.,CN(Cc1cc(C[NH3+])ccc1C(=O)[OH])c1ccccc1
QED,Please optimize the molecule Nc1c(Cl)ccc(S(=O)(=O)N2CCC(O)CC2)c1Cl to have a lower QED value.,Nc1c(NO)ccc(S(=O)(=O)N2CCC(O)CC2)c1Cl
AtomNum,"The molecule consists of 10 carbon atoms, 1 oxygen atom, and 2 nitrogen atoms.",CC(C)CC(CC1CCOC1)NN
BondNum,"Please generate a molecule with 7 single bonds, 1 rotatable bond, and 10 aromatic bonds.",Cc1cn2c([nH+]1)NCCC2c1ccsc1
FunctionalGroup,The molecule is composed of and 2 benzene ring groups.,CCc1c2c(c3ccccc3c1C)C(CC)C(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2
AddComponent,Please add a aldehyde to the molecule CCCCCC(F)(F)C=CC1C(OC(C)=O)CC2OC(c3nc(C(=O)[O-])cs3)CCC21.,CCCCCC(F)(F)C=CC1C(OC(=O)CCC=O)CC2OC(c3nc(C(=O)[O-])cs3)CCC21
SubComponent,Modify the molecule halo by substituting a COc1cccc(C(O)Cc2cc(Br)ccc2F)c1OC with a nitro.,COc1cccc(C(O)Cc2cc(NO)ccc2F)c1OC
DelComponent,Please remove a benzene ring from the molecule [NH3+]CC#Cc1cccc(CNS(=O)(=O)N2CCCC2)c1.,[NH3+]CC#CCNS(=O)(=O)N1CCCC1
LogP,Please optimize the molecule Cc1ccc(NC(=S)N2CCC(C(N)=O)CC2)cc1C to have a lower LogP value.,Cc1ccc(NC(=S)N2CCC(C(N)=O)CC2)c(N)c1C
MR,Modify the molecule CCCc1ccc(-c2nn(-c3ccncc3C)c3c2CCCc2nc(N)sc2-3)cn1 to have a lower MR value.,CCCc1ccc(-c2nn(-c3ccncc3C)c3c2CCCc2ncsc2-3)cn1
QED,Modify the molecule Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)c3cccc(NC(=O)C4C5CC6C(OC(=O)C64)C5Br)c3)cc2)c1 to increase its QED value.,Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)c3cccc(NC(=O)C4C5CC6OC(=O)C4C6C5)c3)cc2)c1